0 B10R1.17 C#CCNc1ccccc1 34a_100000106764_100000184674 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.17 C#CCOc1ccccc1 34a_100000210340_100000184674 [0,0,0,0,0,0|0,0,2]=2 2 B10R1.17 C#CCOc1ccccc1 7a_100000210340_100000038162 [0,0,0,0,0,0|0,0,2]=2 3 B10R1.17 C#CCOc1cccnc1 34a_100000210849_100000184674 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.17 C#CCOc1cccnc1 7a_100000210849_100000038162 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.17 C#CCOc1ccncc1 34a_100000212176_100000184674 [0,0,0,0,0,0|1,0,2]=3 6 B10R1.17 C#CCOc1ccnnc1 34a_100015204005_100000184674 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.17 C#CCOc1cncnc1 7a_100000754086_100000038162 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.17 C#CCSc1ccccc1 62a_100000038162_100000041952 [0,0,0,0,0,0|0,1,2]=3 9 B10R1.17 C#CCSc1ccccn1 62a_100000038162_100011216584 [0,0,0,0,0,0|1,1,2]=4 10 B10R1.17 C#CCSc1cccnc1 62a_100000038162_100000210063 [0,0,0,0,0,0|1,1,2]=4 11 B10R1.17 C#CCSc1ccncc1 62a_100000038162_100000728582 [0,0,0,0,0,0|1,1,2]=4 12 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.17 C=CCNc1cccnn1 27a_100020586998_100016991348 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.17 C=CCNc1ccncn1 27a_100020586998_100000703185 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.17 C=CCNc1cnccn1 27a_100020586998_100000211759 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.17 C=CCNc1ncccn1 27a_100020586998_100000211032 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.17 C=CCOC1C=CCCC1 34a_100011215024_100015514636 [0,0,0,0,0,0|0,0,4]=4 18 B10R1.17 C=CCOC1CC=CCC1 34a_100000073881_100015514636 [0,0,0,0,0,0|0,0,4]=4 19 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [0,0,0,0,0,0|0,0,0]=0 20 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [0,0,0,0,0,0|0,0,0]=0 21 B10R1.17 C=CCOc1cccnc1 34a_100000210849_100015514636 [0,0,0,0,0,0|1,0,0]=1 22 B10R1.17 C=CCOc1cccnc1 7a_100000210849_100015514636 [0,0,0,0,0,0|1,0,0]=1 23 B10R1.17 C=CCOc1ccncc1 34a_100000212176_100015514636 [0,0,0,0,0,0|1,0,0]=1 24 B10R1.17 C=CCOc1ccnnc1 34a_100015204005_100015514636 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.17 C=CCOc1cncnc1 7a_100000754086_100015514636 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [0,0,0,0,0,0|0,1,0]=1 27 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [0,0,0,0,0,0|0,1,0]=1 28 B10R1.17 C=CCSc1ccccn1 62a_100000210623_100011216584 [0,0,0,0,0,0|1,1,0]=2 29 B10R1.17 C=CCSc1ccccn1 62a_100011216584_100000210623 [0,0,0,0,0,0|1,1,0]=2 30 B10R1.17 C=CCSc1cccnc1 62a_100000210063_100000210623 [0,0,0,0,0,0|1,1,0]=2 31 B10R1.17 C=CCSc1cccnc1 62a_100000210623_100000210063 [0,0,0,0,0,0|1,1,0]=2 32 B10R1.17 C=CCSc1cccnn1 62a_100000210623_100016991348 [0,0,0,0,0,0|2,1,0]=3 33 B10R1.17 C=CCSc1cccnn1 62a_100016991348_100000210623 [0,0,0,0,0,0|2,1,0]=3 34 B10R1.17 C=CCSc1ccncc1 62a_100000210623_100000728582 [0,0,0,0,0,0|1,1,0]=2 35 B10R1.17 C=CCSc1ccncc1 62a_100000728582_100000210623 [0,0,0,0,0,0|1,1,0]=2 36 B10R1.17 C=CCSc1ccncn1 62a_100000210623_100000703185 [0,0,0,0,0,0|2,1,0]=3 37 B10R1.17 C=CCSc1ccncn1 62a_100000703185_100000210623 [0,0,0,0,0,0|2,1,0]=3 38 B10R1.17 C=CCSc1ccnnc1 62a_100000210623_100000732662 [0,0,0,0,0,0|2,1,0]=3 39 B10R1.17 C=CCSc1ccnnc1 62a_100000732662_100000210623 [0,0,0,0,0,0|2,1,0]=3 40 B10R1.17 C=CCSc1cnccn1 62a_100000210623_100000211759 [0,0,0,0,0,0|2,1,0]=3 41 B10R1.17 C=CCSc1cnccn1 62a_100000211759_100000210623 [0,0,0,0,0,0|2,1,0]=3 42 B10R1.17 C=CCSc1cncnc1 62a_100000210623_100011206942 [0,0,0,0,0,0|2,1,0]=3 43 B10R1.17 C=CCSc1cncnc1 62a_100011206942_100000210623 [0,0,0,0,0,0|2,1,0]=3 44 B10R1.17 C=CCSc1cnnnc1 62a_100000210623_100009846058 [0,0,0,0,0,0|3,1,0]=4 45 B10R1.17 C=CCSc1cnnnc1 62a_100009846058_100000210623 [0,0,0,0,0,0|3,1,0]=4 46 B10R1.17 C=CCSc1ncccn1 62a_100000210623_100000211032 [0,0,0,0,0,0|2,1,0]=3 47 B10R1.17 C=CCSc1ncccn1 62a_100000211032_100000210623 [0,0,0,0,0,0|2,1,0]=3 48 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [0,0,0,0,0,0|2,0,1]=3 49 B10R1.17 CC=NNc1ccccn1 4a_100000183288_200000210099 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.17 CC=NNc1cccnc1 4a_100000728903_200000210099 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.17 CC=NNc1ccncc1 4a_100000698918_200000210099 [0,0,0,0,0,0|3,0,1]=4 52 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [0,0,0,0,0,0|1,0,2]=3 53 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [0,0,0,0,0,0|2,0,2]=4 54 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [0,0,0,0,0,0|2,0,2]=4 55 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [0,0,0,0,0,0|2,0,2]=4 56 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [0,0,0,0,0,0|1,0,2]=3 57 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [0,0,0,0,0,0|0,0,2]=2 58 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [0,0,0,0,0,0|0,0,2]=2 59 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [0,0,0,0,0,0|1,0,2]=3 60 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [0,0,0,0,0,0|1,0,2]=3 61 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [0,0,0,0,0,0|1,0,2]=3 62 B10R1.17 CCCOc1ccnnc1 34a_100015204005_100000210303 [0,0,0,0,0,0|2,0,2]=4 63 B10R1.17 CCCOc1cncnc1 7a_100000754086_100000210303 [0,0,0,0,0,0|2,0,2]=4 64 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [0,0,0,0,0,0|0,1,2]=3 65 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [0,0,0,0,0,0|0,1,2]=3 66 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [0,0,0,0,0,0|1,1,2]=4 67 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [0,0,0,0,0,0|1,1,2]=4 68 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [0,0,0,0,0,0|1,1,2]=4 69 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [0,0,0,0,0,0|1,1,2]=4 70 B10R1.17 CCCSc1ccncc1 62a_100000210303_100000728582 [0,0,0,0,0,0|1,1,2]=4 71 B10R1.17 CCCSc1ccncc1 62a_100000728582_100000210303 [0,0,0,0,0,0|1,1,2]=4 72 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [0,0,0,0,0,0|2,0,2]=4 73 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [0,0,0,0,0,0|2,0,2]=4 74 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [0,0,0,0,0,0|2,0,2]=4 75 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [0,0,0,0,0,0|2,0,2]=4 76 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [0,0,0,0,0,0|2,0,2]=4 77 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [0,0,0,0,0,0|2,0,2]=4 78 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [0,0,0,0,0,0|2,0,2]=4 79 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [0,0,0,0,0,0|2,0,2]=4 80 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [0,0,0,0,0,0|2,0,2]=4 81 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [0,0,0,0,0,0|2,0,2]=4 82 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [0,0,0,0,0,0|2,0,1]=3 83 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [0,0,0,0,0,0|2,0,1]=3 84 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [0,0,0,0,0,0|2,0,1]=3 85 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [0,0,0,0,0,0|2,0,1]=3 86 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [0,0,0,0,0,0|2,0,1]=3 87 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [0,0,0,0,0,0|3,0,1]=4 88 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [0,0,0,0,0,0|3,0,1]=4 89 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [0,0,0,0,0,0|3,0,1]=4 90 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [0,0,0,0,0,0|3,0,1]=4 91 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [0,0,0,0,0,0|3,0,1]=4 92 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [0,0,0,0,0,0|3,0,1]=4 93 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [0,0,0,0,0,0|3,0,1]=4 94 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [0,0,0,0,0,0|1,1,1]=3 95 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [0,0,0,0,0,0|2,0,1]=3 96 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [0,0,0,0,0,0|2,0,1]=3 97 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [0,0,0,0,0,0|2,0,1]=3 98 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [0,0,0,0,0,0|3,0,1]=4 99 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [0,0,0,0,0,0|3,0,1]=4 100 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [0,0,0,0,0,0|3,0,1]=4 101 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [0,0,0,0,0,0|1,1,1]=3 102 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [0,0,0,0,0,0|1,1,1]=3 103 B10R1.17 COCSc1ccccn1 62a_100000766300_100011216584 [0,0,0,0,0,0|2,1,1]=4 104 B10R1.17 COCSc1ccccn1 62a_100011216584_100000766300 [0,0,0,0,0,0|2,1,1]=4 105 B10R1.17 COCSc1cccnc1 62a_100000210063_100000766300 [0,0,0,0,0,0|2,1,1]=4 106 B10R1.17 COCSc1cccnc1 62a_100000766300_100000210063 [0,0,0,0,0,0|2,1,1]=4 107 B10R1.17 COCSc1ccncc1 62a_100000728582_100000766300 [0,0,0,0,0,0|2,1,1]=4 108 B10R1.17 COCSc1ccncc1 62a_100000766300_100000728582 [0,0,0,0,0,0|2,1,1]=4 109 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [0,0,0,0,0,0|2,0,1]=3 110 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [0,0,0,0,0,0|2,0,1]=3 111 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [0,0,0,0,0,0|3,0,1]=4 112 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [0,0,0,0,0,0|3,0,1]=4 113 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [0,0,0,0,0,0|3,0,1]=4 114 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [0,0,0,0,0,0|3,0,1]=4 115 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [0,0,0,0,0,0|3,0,1]=4 116 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [0,0,0,0,0,0|3,0,1]=4 117 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [0,0,0,0,0,0|2,0,1]=3 118 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [0,0,0,0,0,0|1,0,1]=2 119 B10R1.17 CSCOc1cccnc1 34a_100000210849_100011218213 [0,0,0,0,0,0|2,0,1]=3 120 B10R1.17 CSCOc1ccncc1 34a_100000212176_100011218213 [0,0,0,0,0,0|2,0,1]=3 121 B10R1.17 CSCOc1ccnnc1 34a_100015204005_100011218213 [0,0,0,0,0,0|3,0,1]=4 122 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [0,0,0,0,0,0|1,1,1]=3 123 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [0,0,0,0,0,0|1,1,1]=3 124 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [0,0,0,0,0,0|1,1,1]=3 125 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [0,0,0,0,0,0|1,1,1]=3 126 B10R1.17 CSCSc1ccccn1 62a_100011216584_100011218213 [0,0,0,0,0,0|2,1,1]=4 127 B10R1.17 CSCSc1ccccn1 62a_100011218213_100011216584 [0,0,0,0,0,0|2,1,1]=4 128 B10R1.17 CSCSc1cccnc1 62a_100000210063_100011218213 [0,0,0,0,0,0|2,1,1]=4 129 B10R1.17 CSCSc1cccnc1 62a_100011218213_100000210063 [0,0,0,0,0,0|2,1,1]=4 130 B10R1.17 CSCSc1ccncc1 62a_100000728582_100011218213 [0,0,0,0,0,0|2,1,1]=4 131 B10R1.17 CSCSc1ccncc1 62a_100011218213_100000728582 [0,0,0,0,0,0|2,1,1]=4 132 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [0,0,0,0,0,0|2,0,1]=3 133 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [0,0,0,0,0,0|1,0,1]=2 134 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [0,0,0,0,0,0|1,0,1]=2 135 B10R1.17 FCCOc1cccnc1 34a_100000210849_100011217306 [0,0,0,0,0,0|2,0,1]=3 136 B10R1.17 FCCOc1cccnc1 7a_100000210849_100011217306 [0,0,0,0,0,0|2,0,1]=3 137 B10R1.17 FCCOc1ccncc1 34a_100000212176_100011217306 [0,0,0,0,0,0|2,0,1]=3 138 B10R1.17 FCCOc1ccnnc1 34a_100015204005_100011217306 [0,0,0,0,0,0|3,0,1]=4 139 B10R1.17 FCCOc1cncnc1 7a_100000754086_100011217306 [0,0,0,0,0,0|3,0,1]=4 140 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [0,0,0,0,0,0|1,1,1]=3 141 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [0,0,0,0,0,0|1,1,1]=3 142 B10R1.17 FCCSc1ccccn1 62a_100011216584_100011217306 [0,0,0,0,0,0|2,1,1]=4 143 B10R1.17 FCCSc1ccccn1 62a_100011217306_100011216584 [0,0,0,0,0,0|2,1,1]=4 144 B10R1.17 FCCSc1cccnc1 62a_100000210063_100011217306 [0,0,0,0,0,0|2,1,1]=4 145 B10R1.17 FCCSc1cccnc1 62a_100011217306_100000210063 [0,0,0,0,0,0|2,1,1]=4 146 B10R1.17 FCCSc1ccncc1 62a_100000728582_100011217306 [0,0,0,0,0,0|2,1,1]=4 147 B10R1.17 FCCSc1ccncc1 62a_100011217306_100000728582 [0,0,0,0,0,0|2,1,1]=4 148 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [0,0,0,0,0,0|3,0,1]=4 149 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [0,0,0,0,0,0|3,0,1]=4 150 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [0,0,0,0,0,0|3,0,1]=4 151 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [0,0,0,0,0,0|3,0,1]=4 152 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [0,0,0,0,0,0|3,0,1]=4 153 B10R1.17 N#CCOc1ccccc1 7a_100000210340_100011215382 [0,0,0,0,0,0|1,0,1]=2 154 B10R1.17 N#CCOc1cccnc1 7a_100000210849_100011215382 [0,0,0,0,0,0|2,0,1]=3 155 B10R1.17 N#CCOc1cncnc1 7a_100000754086_100011215382 [0,0,0,0,0,0|3,0,1]=4 156 B10R1.17 N#CCSc1ccccc1 62a_100000719477_100011215382 [0,0,0,0,0,0|1,1,1]=3 157 B10R1.17 N#CCSc1ccccc1 62a_100011215382_100000041952 [0,0,0,0,0,0|1,1,1]=3 158 B10R1.17 N#CCSc1ccccn1 62a_100011215382_100011216584 [0,0,0,0,0,0|2,1,1]=4 159 B10R1.17 N#CCSc1ccccn1 62a_100011216584_100011215382 [0,0,0,0,0,0|2,1,1]=4 160 B10R1.17 N#CCSc1cccnc1 62a_100000210063_100011215382 [0,0,0,0,0,0|2,1,1]=4 161 B10R1.17 N#CCSc1cccnc1 62a_100011215382_100000210063 [0,0,0,0,0,0|2,1,1]=4 162 B10R1.17 N#CCSc1ccncc1 62a_100000728582_100011215382 [0,0,0,0,0,0|2,1,1]=4 163 B10R1.17 N#CCSc1ccncc1 62a_100011215382_100000728582 [0,0,0,0,0,0|2,1,1]=4 164 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [0,0,0,0,0,0|2,0,0]=2 165 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [0,0,0,0,0,0|1,0,0]=1 166 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [0,0,0,0,0,0|1,0,0]=1 167 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [0,0,0,0,0,0|2,0,0]=2 168 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [0,0,0,0,0,0|2,0,0]=2 169 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [0,0,0,0,0,0|2,0,0]=2 170 B10R1.17 O=CCOc1ccnnc1 34a_100015204005_200009817547 [0,0,0,0,0,0|3,0,0]=3 171 B10R1.17 O=CCOc1cncnc1 7a_100000754086_200015260668 [0,0,0,0,0,0|3,0,0]=3 172 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [0,0,0,0,0,0|1,1,0]=2 173 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [0,0,0,0,0,0|1,1,0]=2 174 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [0,0,0,0,0,0|2,1,0]=3 175 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [0,0,0,0,0,0|2,1,0]=3 176 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [0,0,0,0,0,0|2,1,0]=3 177 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [0,0,0,0,0,0|2,1,0]=3 178 B10R1.17 O=CCSc1cccnn1 62a_100016991348_200015260668 [0,0,0,0,0,0|3,1,0]=4 179 B10R1.17 O=CCSc1cccnn1 62a_200015260668_100016991348 [0,0,0,0,0,0|3,1,0]=4 180 B10R1.17 O=CCSc1ccncc1 62a_100000728582_200015260668 [0,0,0,0,0,0|2,1,0]=3 181 B10R1.17 O=CCSc1ccncc1 62a_200015260668_100000728582 [0,0,0,0,0,0|2,1,0]=3 182 B10R1.17 O=CCSc1ccncn1 62a_100000703185_200015260668 [0,0,0,0,0,0|3,1,0]=4 183 B10R1.17 O=CCSc1ccncn1 62a_200015260668_100000703185 [0,0,0,0,0,0|3,1,0]=4 184 B10R1.17 O=CCSc1ccnnc1 62a_100000732662_200015260668 [0,0,0,0,0,0|3,1,0]=4 185 B10R1.17 O=CCSc1ccnnc1 62a_200015260668_100000732662 [0,0,0,0,0,0|3,1,0]=4 186 B10R1.17 O=CCSc1cnccn1 62a_100000211759_200015260668 [0,0,0,0,0,0|3,1,0]=4 187 B10R1.17 O=CCSc1cnccn1 62a_200015260668_100000211759 [0,0,0,0,0,0|3,1,0]=4 188 B10R1.17 O=CCSc1cncnc1 62a_100011206942_200015260668 [0,0,0,0,0,0|3,1,0]=4 189 B10R1.17 O=CCSc1cncnc1 62a_200015260668_100011206942 [0,0,0,0,0,0|3,1,0]=4 190 B10R1.17 O=CCSc1ncccn1 62a_100000211032_200015260668 [0,0,0,0,0,0|3,1,0]=4 191 B10R1.17 O=CCSc1ncccn1 62a_200015260668_100000211032 [0,0,0,0,0,0|3,1,0]=4 192 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [0,0,0,0,0,0|2,0,1]=3 193 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [0,0,0,0,0,0|1,0,1]=2 194 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [0,0,0,0,0,0|1,0,1]=2 195 B10R1.17 OCCOc1cccnc1 34a_100000210849_100000211926 [0,0,0,0,0,0|2,0,1]=3 196 B10R1.17 OCCOc1cccnc1 7a_100000210849_100000211926 [0,0,0,0,0,0|2,0,1]=3 197 B10R1.17 OCCOc1ccncc1 34a_100000212176_100000211926 [0,0,0,0,0,0|2,0,1]=3 198 B10R1.17 OCCOc1ccnnc1 34a_100015204005_100000211926 [0,0,0,0,0,0|3,0,1]=4 199 B10R1.17 OCCOc1cncnc1 7a_100000754086_100000211926 [0,0,0,0,0,0|3,0,1]=4 200 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [0,0,0,0,0,0|1,1,1]=3 201 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [0,0,0,0,0,0|1,1,1]=3 202 B10R1.17 OCCSc1ccccn1 62a_100000211926_100011216584 [0,0,0,0,0,0|2,1,1]=4 203 B10R1.17 OCCSc1ccccn1 62a_100011216584_100000211926 [0,0,0,0,0,0|2,1,1]=4 204 B10R1.17 OCCSc1cccnc1 62a_100000210063_100000211926 [0,0,0,0,0,0|2,1,1]=4 205 B10R1.17 OCCSc1cccnc1 62a_100000211926_100000210063 [0,0,0,0,0,0|2,1,1]=4 206 B10R1.17 OCCSc1ccncc1 62a_100000211926_100000728582 [0,0,0,0,0,0|2,1,1]=4 207 B10R1.17 OCCSc1ccncc1 62a_100000728582_100000211926 [0,0,0,0,0,0|2,1,1]=4 208 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [0,0,0,0,0,0|2,0,1]=3 209 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [0,0,0,0,0,0|2,0,1]=3 210 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [0,0,0,0,0,0|3,0,1]=4 211 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [0,0,0,0,0,0|2,0,1]=3 212 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [0,0,0,0,0,0|2,0,1]=3 213 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [0,0,0,0,0,0|3,0,1]=4 214 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [0,0,0,0,0,0|3,0,1]=4 215 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [0,0,0,0,0,0|3,0,1]=4 216 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [0,0,0,0,0,0|2,0,1]=3 217 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [0,0,0,0,0,0|2,0,1]=3 218 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [0,0,0,0,0,0|3,0,1]=4 219 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [0,0,0,0,0,0|3,0,1]=4 220 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [0,0,0,0,0,0|3,0,1]=4 221 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [0,0,0,0,0,0|3,0,1]=4 222 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [0,0,0,0,0,0|3,0,1]=4 223 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [0,0,0,0,0,0|3,0,1]=4 224 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [0,0,0,0,0,0|1,1,1]=3 225 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [0,0,0,0,0,0|1,1,1]=3 226 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [1,0,0,0,0,0|0,0,2]=3 227 B9R1.8 C=C=Cc1ccccn1 271570a_100015277604_100011216584 [1,0,0,0,0,0|1,0,2]=4 228 B9R1.8 C=C=Cc1cccnc1 271570a_100015277604_100000752921 [1,0,0,0,0,0|1,0,2]=4 229 B9R1.8 C=C=Cc1ccncc1 271570a_100015277604_100000035832 [1,0,0,0,0,0|1,0,2]=4 230 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,0,0,0,0,0|0,0,2]=3 231 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,0,0,0,0,0|1,0,2]=4 232 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [1,0,0,0,0,0|1,0,2]=4 233 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [1,0,0,0,0,0|1,0,2]=4 234 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [1,0,0,0,0,0|1,0,1]=3 235 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,0,0,0,0,0|0,0,1]=2 236 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,0,0,0,0,0|0,0,1]=2 237 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [1,0,0,0,0,0|1,0,1]=3 238 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [1,0,0,0,0,0|1,0,1]=3 239 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [1,0,0,0,0,0|1,0,1]=3 240 B9R1.8 CCOc1ccnnc1 34a_100015204005_100000210202 [1,0,0,0,0,0|2,0,1]=4 241 B9R1.8 CCOc1cncnc1 7a_100000754086_100000210202 [1,0,0,0,0,0|2,0,1]=4 242 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [1,0,0,0,0,0|0,1,1]=3 243 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [1,0,0,0,0,0|0,1,1]=3 244 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [1,0,0,0,0,0|1,1,1]=4 245 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [1,0,0,0,0,0|1,1,1]=4 246 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [1,0,0,0,0,0|1,1,1]=4 247 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [1,0,0,0,0,0|1,1,1]=4 248 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [1,0,0,0,0,0|1,1,1]=4 249 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [1,0,0,0,0,0|1,1,1]=4 250 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,0,0,0,0,0|1,0,1]=3 251 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,0,0,0,0,0|1,0,1]=3 252 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,0,0,0,0,0|1,0,1]=3 253 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,0,0,0,0,0|1,0,1]=3 254 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,0,0,0,0,0|1,0,1]=3 255 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,0,0,0,0,0|1,0,1]=3 256 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,0,0,0,0,0|1,0,1]=3 257 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [1,0,0,0,0,0|2,0,1]=4 258 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [1,0,0,0,0,0|2,0,1]=4 259 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [1,0,0,0,0,0|2,0,1]=4 260 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [1,0,0,0,0,0|2,0,1]=4 261 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [1,0,0,0,0,0|2,0,1]=4 262 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [1,0,0,0,0,0|2,0,1]=4 263 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [1,0,0,0,0,0|2,0,1]=4 264 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [1,0,0,0,0,0|2,0,1]=4 265 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [1,0,0,0,0,0|2,0,1]=4 266 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [1,0,0,0,0,0|2,0,1]=4 267 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [1,0,0,0,0,0|2,0,1]=4 268 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [1,0,0,0,0,0|2,0,1]=4 269 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [1,0,0,0,0,0|2,0,1]=4 270 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,0,0,0,0,0|1,0,1]=3 271 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,0,0,0,0,0|1,0,1]=3 272 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,0,0,0,0,0|1,0,1]=3 273 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,0,0,0,0,0|2,0,1]=4 274 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [1,0,0,0,0,0|2,0,1]=4 275 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,0,0,0,0,0|1,0,1]=3 276 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,0,0,0,0,0|1,0,1]=3 277 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [1,0,0,0,0,0|2,0,1]=4 278 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [1,0,0,0,0,0|2,0,1]=4 279 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [1,0,0,0,0,0|2,0,1]=4 280 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [1,0,0,0,0,0|2,0,1]=4 281 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [1,0,0,0,0,0|2,0,1]=4 282 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [1,0,0,0,0,0|2,0,1]=4 283 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [1,0,0,0,0,0|2,0,0]=3 284 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [1,0,0,0,0,0|1,0,0]=2 285 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [1,0,0,0,0,0|1,0,0]=2 286 B9R1.8 FCOc1cccnc1 34a_100000210849_100015361967 [1,0,0,0,0,0|2,0,0]=3 287 B9R1.8 FCOc1cccnc1 7a_100000210849_100015361967 [1,0,0,0,0,0|2,0,0]=3 288 B9R1.8 FCOc1ccncc1 34a_100000212176_100015361967 [1,0,0,0,0,0|2,0,0]=3 289 B9R1.8 FCOc1ccnnc1 34a_100015204005_100015361967 [1,0,0,0,0,0|3,0,0]=4 290 B9R1.8 FCOc1cncnc1 7a_100000754086_100015361967 [1,0,0,0,0,0|3,0,0]=4 291 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [1,0,0,0,0,0|1,1,0]=3 292 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [1,0,0,0,0,0|1,1,0]=3 293 B9R1.8 FCSc1ccccn1 62a_100011216584_100015361967 [1,0,0,0,0,0|2,1,0]=4 294 B9R1.8 FCSc1ccccn1 62a_100015361967_100011216584 [1,0,0,0,0,0|2,1,0]=4 295 B9R1.8 FCSc1cccnc1 62a_100000210063_100015361967 [1,0,0,0,0,0|2,1,0]=4 296 B9R1.8 FCSc1cccnc1 62a_100015361967_100000210063 [1,0,0,0,0,0|2,1,0]=4 297 B9R1.8 FCSc1ccncc1 62a_100000728582_100015361967 [1,0,0,0,0,0|2,1,0]=4 298 B9R1.8 FCSc1ccncc1 62a_100015361967_100000728582 [1,0,0,0,0,0|2,1,0]=4 299 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,0,0,0,0,0|1,0,1]=3 300 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,0,0,0,0,0|1,0,1]=3 301 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,0,0,0,0,0|1,0,1]=3 302 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,0,0,0,0,0|1,0,1]=3 303 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,0,0,0,0,0|1,0,1]=3 304 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,0,0,0,0,0|1,0,1]=3 305 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [1,0,0,0,0,0|2,0,1]=4 306 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [1,0,0,0,0,0|2,0,1]=4 307 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [1,0,0,0,0,0|2,0,1]=4 308 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [1,0,0,0,0,0|2,0,1]=4 309 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [1,0,0,0,0,0|2,0,1]=4 310 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [1,0,0,0,0,0|2,0,1]=4 311 B11R1.1 C#CCNc1ccc(cc1)Br 2230a_100000210018_100000038162 [0,1,0,0,0,0|1,0,2]=4 312 B11R1.1 C#CCNc1ccc(cc1)Br 34a_100000210018_100000184674 [0,1,0,0,0,0|1,0,2]=4 313 B11R1.1 C#CCNc1ccc(cc1)C 34a_100000124888_100000184674 [0,1,0,0,0,0|1,0,2]=4 314 B11R1.1 C#CCNc1ccc(cc1)Cl 2230a_100000210052_100000038162 [0,1,0,0,0,0|1,0,2]=4 315 B11R1.1 C#CCNc1ccc(cc1)Cl 34a_100000210052_100000184674 [0,1,0,0,0,0|1,0,2]=4 316 B11R1.1 C#CCNc1ccc(cc1)F 34a_100000185862_100000184674 [0,1,0,0,0,0|1,0,2]=4 317 B11R1.1 C#CCNc1ccc(cc1)I 34a_100000185761_100000184674 [0,1,0,0,0,0|1,0,2]=4 318 B11R1.1 C#CCNc1ccc(cc1)O 34a_100000185829_100000184674 [0,1,0,0,0,0|1,0,2]=4 319 B11R1.1 C#CCOc1ccc(=O)[nH]c1 34a_100000075641_100000184674 [0,1,0,0,0,0|1,0,2]=4 320 B11R1.1 C#CCOc1ccc(cc1)Br 34a_100000185759_100000184674 [0,1,0,0,0,0|0,0,2]=3 321 B11R1.1 C#CCOc1ccc(cc1)Br 7a_100000185759_100000038162 [0,1,0,0,0,0|0,0,2]=3 322 B11R1.1 C#CCOc1ccc(cc1)C 34a_100000210336_100000184674 [0,1,0,0,0,0|0,0,2]=3 323 B11R1.1 C#CCOc1ccc(cc1)C 7a_100000210336_100000038162 [0,1,0,0,0,0|0,0,2]=3 324 B11R1.1 C#CCOc1ccc(cc1)Cl 34a_100000210216_100000184674 [0,1,0,0,0,0|0,0,2]=3 325 B11R1.1 C#CCOc1ccc(cc1)Cl 7a_100000210216_100000038162 [0,1,0,0,0,0|0,0,2]=3 326 B11R1.1 C#CCOc1ccc(cc1)F 34a_100000210339_100000184674 [0,1,0,0,0,0|0,0,2]=3 327 B11R1.1 C#CCOc1ccc(cc1)I 34a_100000212066_100000184674 [0,1,0,0,0,0|0,0,2]=3 328 B11R1.1 C#CCOc1ccc(cc1)I 7a_100000212066_100000038162 [0,1,0,0,0,0|0,0,2]=3 329 B11R1.1 C#CCOc1ccc(cc1)N 34a_100000185829_100000184674 [0,1,0,0,0,0|0,0,2]=3 330 B11R1.1 C#CCOc1ccc(cn1)C 34a_100000759353_100000184674 [0,1,0,0,0,0|1,0,2]=4 331 B11R1.1 C#CCOc1ccc(cn1)Cl 34a_100011215309_100000184674 [0,1,0,0,0,0|1,0,2]=4 332 B11R1.1 C#CCOc1ccc(cn1)F 34a_100000742473_100000184674 [0,1,0,0,0,0|1,0,2]=4 333 B11R1.1 C#CCOc1ccc(cn1)N 34a_100000729260_100000184674 [0,1,0,0,0,0|1,0,2]=4 334 B11R1.1 C#CCOc1ccc(nc1)Br 34a_100000685995_100000184674 [0,1,0,0,0,0|1,0,2]=4 335 B11R1.1 C#CCOc1ccc(nc1)Br 7a_100000685995_100000038162 [0,1,0,0,0,0|1,0,2]=4 336 B11R1.1 C#CCOc1ccc(nc1)C 34a_100000745506_100000184674 [0,1,0,0,0,0|1,0,2]=4 337 B11R1.1 C#CCOc1ccc(nc1)C 7a_100000745506_100000038162 [0,1,0,0,0,0|1,0,2]=4 338 B11R1.1 C#CCOc1ccc(nc1)Cl 34a_100000744096_100000184674 [0,1,0,0,0,0|1,0,2]=4 339 B11R1.1 C#CCOc1ccc(nc1)Cl 7a_100000744096_100000038162 [0,1,0,0,0,0|1,0,2]=4 340 B11R1.1 C#CCOc1ccc(nc1)F 34a_100000688820_100000184674 [0,1,0,0,0,0|1,0,2]=4 341 B11R1.1 C#CCOc1ccc(nc1)F 7a_100000688820_100000038162 [0,1,0,0,0,0|1,0,2]=4 342 B11R1.1 C#CCOc1ccc(nc1)I 34a_100000687607_100000184674 [0,1,0,0,0,0|1,0,2]=4 343 B11R1.1 C#CCOc1ccc(nc1)I 7a_100000687607_100000038162 [0,1,0,0,0,0|1,0,2]=4 344 B11R1.1 C#CCOc1ccc(nc1)N 34a_100015188713_100000184674 [0,1,0,0,0,0|1,0,2]=4 345 B11R1.1 C#CCOc1ccc(nc1)N 7a_100015188713_100000038162 [0,1,0,0,0,0|1,0,2]=4 346 B11R1.1 C#CCSc1ccc(cc1)Br 62a_100000038162_100000752885 [0,1,0,0,0,0|0,1,2]=4 347 B11R1.1 C#CCSc1ccc(cc1)C 62a_100000038162_100000186775 [0,1,0,0,0,0|0,1,2]=4 348 B11R1.1 C#CCSc1ccc(cc1)Cl 62a_100000038162_100000755918 [0,1,0,0,0,0|0,1,2]=4 349 B11R1.1 C#CCSc1ccc(cc1)F 62a_100000038162_100000211213 [0,1,0,0,0,0|0,1,2]=4 350 B11R1.1 C#CCSc1ccc(cc1)N 62a_100000038162_100000185761 [0,1,0,0,0,0|0,1,2]=4 351 B11R1.1 C#CCSc1ccc(cc1)O 62a_100000038162_100000185759 [0,1,0,0,0,0|0,1,2]=4 352 B11R1.1 C=CCNc1ccc(cc1)Br 2230a_100000210018_100000210623 [0,1,0,0,0,0|1,0,0]=2 353 B11R1.1 C=CCNc1ccc(cc1)Br 34a_100000210018_100015514636 [0,1,0,0,0,0|1,0,0]=2 354 B11R1.1 C=CCNc1ccc(cc1)C 34a_100000124888_100015514636 [0,1,0,0,0,0|1,0,0]=2 355 B11R1.1 C=CCNc1ccc(cc1)Cl 2230a_100000210052_100000210623 [0,1,0,0,0,0|1,0,0]=2 356 B11R1.1 C=CCNc1ccc(cc1)Cl 34a_100000210052_100015514636 [0,1,0,0,0,0|1,0,0]=2 357 B11R1.1 C=CCNc1ccc(cc1)F 34a_100000185862_100015514636 [0,1,0,0,0,0|1,0,0]=2 358 B11R1.1 C=CCNc1ccc(cc1)I 34a_100000185761_100015514636 [0,1,0,0,0,0|1,0,0]=2 359 B11R1.1 C=CCNc1ccc(cc1)O 34a_100000185829_100015514636 [0,1,0,0,0,0|1,0,0]=2 360 B11R1.1 C=CCNc1ccc(cn1)Br 27a_100020586998_100000686858 [0,1,0,0,0,0|2,0,0]=3 361 B11R1.1 C=CCNc1ccc(nn1)C 27a_100020586998_100000744512 [0,1,0,0,0,0|3,0,0]=4 362 B11R1.1 C=CCNc1cnc(cn1)Br 27a_100020586998_100010187541 [0,1,0,0,0,0|3,0,0]=4 363 B11R1.1 C=CCNc1cnc(cn1)C 27a_100020586998_100000074397 [0,1,0,0,0,0|3,0,0]=4 364 B11R1.1 C=CCNc1cnc(cn1)F 27a_100020586998_100009856528 [0,1,0,0,0,0|3,0,0]=4 365 B11R1.1 C=CCNc1ncc(cn1)Br 27a_100020586998_100000690281 [0,1,0,0,0,0|3,0,0]=4 366 B11R1.1 C=CCNc1ncc(cn1)C 27a_100020586998_100000061069 [0,1,0,0,0,0|3,0,0]=4 367 B11R1.1 C=CCNc1ncc(cn1)Cl 27a_100020586998_100011356929 [0,1,0,0,0,0|3,0,0]=4 368 B11R1.1 C=CCNc1ncc(cn1)F 27a_100020586998_100000685220 [0,1,0,0,0,0|3,0,0]=4 369 B11R1.1 C=CCOc1ccc(=O)[nH]c1 34a_100000075641_100015514636 [0,1,0,0,0,0|1,0,0]=2 370 B11R1.1 C=CCOc1ccc(cc1)Br 34a_100000185759_100015514636 [0,1,0,0,0,0|0,0,0]=1 371 B11R1.1 C=CCOc1ccc(cc1)Br 7a_100000185759_100015514636 [0,1,0,0,0,0|0,0,0]=1 372 B11R1.1 C=CCOc1ccc(cc1)C 34a_100000210336_100015514636 [0,1,0,0,0,0|0,0,0]=1 373 B11R1.1 C=CCOc1ccc(cc1)C 7a_100000210336_100015514636 [0,1,0,0,0,0|0,0,0]=1 374 B11R1.1 C=CCOc1ccc(cc1)Cl 34a_100000210216_100015514636 [0,1,0,0,0,0|0,0,0]=1 375 B11R1.1 C=CCOc1ccc(cc1)Cl 7a_100000210216_100015514636 [0,1,0,0,0,0|0,0,0]=1 376 B11R1.1 C=CCOc1ccc(cc1)F 34a_100000210339_100015514636 [0,1,0,0,0,0|0,0,0]=1 377 B11R1.1 C=CCOc1ccc(cc1)I 34a_100000212066_100015514636 [0,1,0,0,0,0|0,0,0]=1 378 B11R1.1 C=CCOc1ccc(cc1)I 7a_100000212066_100015514636 [0,1,0,0,0,0|0,0,0]=1 379 B11R1.1 C=CCOc1ccc(cc1)N 34a_100000185829_100015514636 [0,1,0,0,0,0|0,0,0]=1 380 B11R1.1 C=CCOc1ccc(cc1)O 271570a_203496583355_100000172055 [0,1,0,0,0,0|0,0,0]=1 381 B11R1.1 C=CCOc1ccc(cn1)C 34a_100000759353_100015514636 [0,1,0,0,0,0|1,0,0]=2 382 B11R1.1 C=CCOc1ccc(cn1)Cl 34a_100011215309_100015514636 [0,1,0,0,0,0|1,0,0]=2 383 B11R1.1 C=CCOc1ccc(cn1)F 34a_100000742473_100015514636 [0,1,0,0,0,0|1,0,0]=2 384 B11R1.1 C=CCOc1ccc(cn1)N 34a_100000729260_100015514636 [0,1,0,0,0,0|1,0,0]=2 385 B11R1.1 C=CCOc1ccc(nc1)Br 34a_100000685995_100015514636 [0,1,0,0,0,0|1,0,0]=2 386 B11R1.1 C=CCOc1ccc(nc1)Br 7a_100000685995_100015514636 [0,1,0,0,0,0|1,0,0]=2 387 B11R1.1 C=CCOc1ccc(nc1)C 34a_100000745506_100015514636 [0,1,0,0,0,0|1,0,0]=2 388 B11R1.1 C=CCOc1ccc(nc1)C 7a_100000745506_100015514636 [0,1,0,0,0,0|1,0,0]=2 389 B11R1.1 C=CCOc1ccc(nc1)Cl 34a_100000744096_100015514636 [0,1,0,0,0,0|1,0,0]=2 390 B11R1.1 C=CCOc1ccc(nc1)Cl 7a_100000744096_100015514636 [0,1,0,0,0,0|1,0,0]=2 391 B11R1.1 C=CCOc1ccc(nc1)F 34a_100000688820_100015514636 [0,1,0,0,0,0|1,0,0]=2 392 B11R1.1 C=CCOc1ccc(nc1)F 7a_100000688820_100015514636 [0,1,0,0,0,0|1,0,0]=2 393 B11R1.1 C=CCOc1ccc(nc1)I 34a_100000687607_100015514636 [0,1,0,0,0,0|1,0,0]=2 394 B11R1.1 C=CCOc1ccc(nc1)I 7a_100000687607_100015514636 [0,1,0,0,0,0|1,0,0]=2 395 B11R1.1 C=CCOc1ccc(nc1)N 34a_100015188713_100015514636 [0,1,0,0,0,0|1,0,0]=2 396 B11R1.1 C=CCOc1ccc(nc1)N 7a_100015188713_100015514636 [0,1,0,0,0,0|1,0,0]=2 397 B11R1.1 C=CCOc1cnc(cn1)Br 34a_100011934580_100015514636 [0,1,0,0,0,0|2,0,0]=3 398 B11R1.1 C=CCOc1cnc(cn1)Cl 34a_100015839800_100015514636 [0,1,0,0,0,0|2,0,0]=3 399 B11R1.1 C=CCOc1cnc(nc1)Br 34a_100000730009_100015514636 [0,1,0,0,0,0|2,0,0]=3 400 B11R1.1 C=CCOc1cnc(nc1)Br 7a_100000730009_100015514636 [0,1,0,0,0,0|2,0,0]=3 401 B11R1.1 C=CCOc1cnc(nc1)C 34a_100000062939_100015514636 [0,1,0,0,0,0|2,0,0]=3 402 B11R1.1 C=CCOc1cnc(nc1)C 7a_100000062939_100015514636 [0,1,0,0,0,0|2,0,0]=3 403 B11R1.1 C=CCOc1cnc(nc1)Cl 34a_100000092845_100015514636 [0,1,0,0,0,0|2,0,0]=3 404 B11R1.1 C=CCOc1cnc(nc1)Cl 7a_100000092845_100015514636 [0,1,0,0,0,0|2,0,0]=3 405 B11R1.1 C=CCOc1cnc(nc1)F 34a_200009874573_100015514636 [0,1,0,0,0,0|2,0,0]=3 406 B11R1.1 C=CCOc1cnc(nc1)F 7a_200009874573_100015514636 [0,1,0,0,0,0|2,0,0]=3 407 B11R1.1 C=CCOc1cnc(nc1)N 34a_100000087137_100015514636 [0,1,0,0,0,0|2,0,0]=3 408 B11R1.1 C=CCOc1cnc(nc1)N 7a_100000087137_100015514636 [0,1,0,0,0,0|2,0,0]=3 409 B11R1.1 C=CCOc1ncc(cn1)F 34a_100011934040_100015514636 [0,1,0,0,0,0|2,0,0]=3 410 B11R1.1 C=CCSc1cc[n+](cc1)[O-] 62a_100000210623_100000039755 [0,1,0,0,0,0|1,1,0]=3 411 B11R1.1 C=CCSc1ccc(=O)[nH]c1 62a_100000210623_100000212171 [0,1,0,0,0,0|1,1,0]=3 412 B11R1.1 C=CCSc1ccc(=O)[nH]c1 62a_100000212171_100000210623 [0,1,0,0,0,0|1,1,0]=3 413 B11R1.1 C=CCSc1ccc(=O)[nH]n1 62a_100000210623_100009820020 [0,1,0,0,0,0|2,1,0]=4 414 B11R1.1 C=CCSc1ccc(=O)[nH]n1 62a_100009820020_100000210623 [0,1,0,0,0,0|2,1,0]=4 415 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000210623_100000752885 [0,1,0,0,0,0|0,1,0]=2 416 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000752885_100000210623 [0,1,0,0,0,0|0,1,0]=2 417 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000186775_100000210623 [0,1,0,0,0,0|0,1,0]=2 418 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000210623_100000186775 [0,1,0,0,0,0|0,1,0]=2 419 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000210623_100000755918 [0,1,0,0,0,0|0,1,0]=2 420 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000755918_100000210623 [0,1,0,0,0,0|0,1,0]=2 421 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000210623_100000211213 [0,1,0,0,0,0|0,1,0]=2 422 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000211213_100000210623 [0,1,0,0,0,0|0,1,0]=2 423 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000185761_100000210623 [0,1,0,0,0,0|0,1,0]=2 424 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000210623_100000185761 [0,1,0,0,0,0|0,1,0]=2 425 B11R1.1 C=CCSc1ccc(cc1)O 62a_100000210623_100000185759 [0,1,0,0,0,0|0,1,0]=2 426 B11R1.1 C=CCSc1ccc(cn1)Br 62a_100000210623_100000686858 [0,1,0,0,0,0|1,1,0]=3 427 B11R1.1 C=CCSc1ccc(cn1)Br 62a_100000686858_100000210623 [0,1,0,0,0,0|1,1,0]=3 428 B11R1.1 C=CCSc1ccc(cn1)C 62a_100000210623_100000754016 [0,1,0,0,0,0|1,1,0]=3 429 B11R1.1 C=CCSc1ccc(cn1)C 62a_100011192072_100000210623 [0,1,0,0,0,0|1,1,0]=3 430 B11R1.1 C=CCSc1ccc(cn1)Cl 62a_100000210623_100011356976 [0,1,0,0,0,0|1,1,0]=3 431 B11R1.1 C=CCSc1ccc(cn1)Cl 62a_100011356976_100000210623 [0,1,0,0,0,0|1,1,0]=3 432 B11R1.1 C=CCSc1ccc(cn1)F 62a_100000210623_100000744514 [0,1,0,0,0,0|1,1,0]=3 433 B11R1.1 C=CCSc1ccc(cn1)F 62a_100000744514_100000210623 [0,1,0,0,0,0|1,1,0]=3 434 B11R1.1 C=CCSc1ccc(cn1)N 62a_100000210623_100000737798 [0,1,0,0,0,0|1,1,0]=3 435 B11R1.1 C=CCSc1ccc(cn1)N 62a_100000737798_100000210623 [0,1,0,0,0,0|1,1,0]=3 436 B11R1.1 C=CCSc1ccc(cn1)O 62a_100000210623_100000744096 [0,1,0,0,0,0|1,1,0]=3 437 B11R1.1 C=CCSc1ccc(cn1)O 62a_100000685995_100000210623 [0,1,0,0,0,0|1,1,0]=3 438 B11R1.1 C=CCSc1ccc(nc1)Br 62a_100000210623_100009814638 [0,1,0,0,0,0|1,1,0]=3 439 B11R1.1 C=CCSc1ccc(nc1)Br 62a_100009814638_100000210623 [0,1,0,0,0,0|1,1,0]=3 440 B11R1.1 C=CCSc1ccc(nc1)C 62a_100000210623_100000751577 [0,1,0,0,0,0|1,1,0]=3 441 B11R1.1 C=CCSc1ccc(nc1)C 62a_100000751577_100000210623 [0,1,0,0,0,0|1,1,0]=3 442 B11R1.1 C=CCSc1ccc(nc1)Cl 62a_100000034144_100000210623 [0,1,0,0,0,0|1,1,0]=3 443 B11R1.1 C=CCSc1ccc(nc1)Cl 62a_100000210623_100000034144 [0,1,0,0,0,0|1,1,0]=3 444 B11R1.1 C=CCSc1ccc(nc1)F 62a_100000042367_100000210623 [0,1,0,0,0,0|1,1,0]=3 445 B11R1.1 C=CCSc1ccc(nc1)F 62a_100000210623_100000042367 [0,1,0,0,0,0|1,1,0]=3 446 B11R1.1 C=CCSc1ccc(nc1)N 62a_100000187370_100000210623 [0,1,0,0,0,0|1,1,0]=3 447 B11R1.1 C=CCSc1ccc(nc1)N 62a_100000210623_100000187370 [0,1,0,0,0,0|1,1,0]=3 448 B11R1.1 C=CCSc1ccc(nn1)C 62a_100000210623_100000744512 [0,1,0,0,0,0|2,1,0]=4 449 B11R1.1 C=CCSc1ccc(nn1)C 62a_100000744512_100000210623 [0,1,0,0,0,0|2,1,0]=4 450 B11R1.1 C=CCSc1ccc(nn1)Cl 62a_100000068654_100000210623 [0,1,0,0,0,0|2,1,0]=4 451 B11R1.1 C=CCSc1ccc(nn1)Cl 62a_100000210623_100000068654 [0,1,0,0,0,0|2,1,0]=4 452 B11R1.1 C=CCSc1ccc(nn1)N 62a_100000210623_100010219413 [0,1,0,0,0,0|2,1,0]=4 453 B11R1.1 C=CCSc1ccc(nn1)N 62a_100010219413_100000210623 [0,1,0,0,0,0|2,1,0]=4 454 B11R1.1 C=CCSc1cnc(=O)[nH]c1 62a_100000210623_102495366499 [0,1,0,0,0,0|2,1,0]=4 455 B11R1.1 C=CCSc1cnc(=O)[nH]c1 62a_102495366499_100000210623 [0,1,0,0,0,0|2,1,0]=4 456 B11R1.1 C=CCSc1cnc(cn1)Br 62a_100000210623_100010187541 [0,1,0,0,0,0|2,1,0]=4 457 B11R1.1 C=CCSc1cnc(cn1)Br 62a_100010187541_100000210623 [0,1,0,0,0,0|2,1,0]=4 458 B11R1.1 C=CCSc1cnc(cn1)C 62a_100000210623_100011999403 [0,1,0,0,0,0|2,1,0]=4 459 B11R1.1 C=CCSc1cnc(cn1)C 62a_100011999403_100000210623 [0,1,0,0,0,0|2,1,0]=4 460 B11R1.1 C=CCSc1cnc(cn1)Cl 62a_100000210623_100010214907 [0,1,0,0,0,0|2,1,0]=4 461 B11R1.1 C=CCSc1cnc(cn1)Cl 62a_100010214907_100000210623 [0,1,0,0,0,0|2,1,0]=4 462 B11R1.1 C=CCSc1cnc(cn1)F 62a_100000210623_100009856528 [0,1,0,0,0,0|2,1,0]=4 463 B11R1.1 C=CCSc1cnc(cn1)F 62a_100009856528_100000210623 [0,1,0,0,0,0|2,1,0]=4 464 B11R1.1 C=CCSc1cnc(cn1)N 62a_100000210623_100000744751 [0,1,0,0,0,0|2,1,0]=4 465 B11R1.1 C=CCSc1cnc(cn1)N 62a_100000744751_100000210623 [0,1,0,0,0,0|2,1,0]=4 466 B11R1.1 C=CCSc1cnc(cn1)O 62a_100000210623_100015839800 [0,1,0,0,0,0|2,1,0]=4 467 B11R1.1 C=CCSc1cnc(cn1)O 62a_100011934580_100000210623 [0,1,0,0,0,0|2,1,0]=4 468 B11R1.1 C=CCSc1cnc(nc1)Br 62a_100000210623_200012349914 [0,1,0,0,0,0|2,1,0]=4 469 B11R1.1 C=CCSc1cnc(nc1)Br 62a_200012349914_100000210623 [0,1,0,0,0,0|2,1,0]=4 470 B11R1.1 C=CCSc1cnc(nc1)C 62a_100000210623_100000686985 [0,1,0,0,0,0|2,1,0]=4 471 B11R1.1 C=CCSc1cnc(nc1)C 62a_100000686985_100000210623 [0,1,0,0,0,0|2,1,0]=4 472 B11R1.1 C=CCSc1cnc(nc1)Cl 62a_100000059775_100000210623 [0,1,0,0,0,0|2,1,0]=4 473 B11R1.1 C=CCSc1cnc(nc1)Cl 62a_100000210623_100000059775 [0,1,0,0,0,0|2,1,0]=4 474 B11R1.1 C=CCSc1cnc(nc1)F 62a_100000210623_100000685262 [0,1,0,0,0,0|2,1,0]=4 475 B11R1.1 C=CCSc1cnc(nc1)F 62a_100000685262_100000210623 [0,1,0,0,0,0|2,1,0]=4 476 B11R1.1 C=CCSc1cnc(nc1)N 62a_100000210623_100000766020 [0,1,0,0,0,0|2,1,0]=4 477 B11R1.1 C=CCSc1cnc(nc1)N 62a_100000766020_100000210623 [0,1,0,0,0,0|2,1,0]=4 478 B11R1.1 C=CCSc1ncc(cn1)Br 62a_100000210623_100000690281 [0,1,0,0,0,0|2,1,0]=4 479 B11R1.1 C=CCSc1ncc(cn1)Br 62a_100000690281_100000210623 [0,1,0,0,0,0|2,1,0]=4 480 B11R1.1 C=CCSc1ncc(cn1)C 62a_100000061069_100000210623 [0,1,0,0,0,0|2,1,0]=4 481 B11R1.1 C=CCSc1ncc(cn1)C 62a_100000210623_100000061069 [0,1,0,0,0,0|2,1,0]=4 482 B11R1.1 C=CCSc1ncc(cn1)Cl 62a_100000210623_100011356929 [0,1,0,0,0,0|2,1,0]=4 483 B11R1.1 C=CCSc1ncc(cn1)Cl 62a_100011356929_100000210623 [0,1,0,0,0,0|2,1,0]=4 484 B11R1.1 C=CCSc1ncc(cn1)F 62a_100000210623_100000685220 [0,1,0,0,0,0|2,1,0]=4 485 B11R1.1 C=CCSc1ncc(cn1)F 62a_100000685220_100000210623 [0,1,0,0,0,0|2,1,0]=4 486 B11R1.1 C=CCSc1ncc(cn1)N 62a_100000068403_100000210623 [0,1,0,0,0,0|2,1,0]=4 487 B11R1.1 C=CCSc1ncc(cn1)N 62a_100000210623_100000068403 [0,1,0,0,0,0|2,1,0]=4 488 B11R1.1 C=CCSc1ncc(cn1)O 62a_100000210623_100000092845 [0,1,0,0,0,0|2,1,0]=4 489 B11R1.1 C=CCSc1ncc(cn1)O 62a_100000730009_100000210623 [0,1,0,0,0,0|2,1,0]=4 490 B11R1.1 CC=NNc1ccc(cc1)Br 4a_100000735608_200000210099 [0,1,0,0,0,0|2,0,1]=4 491 B11R1.1 CC=NNc1ccc(cc1)C 4a_100000683527_200000210099 [0,1,0,0,0,0|2,0,1]=4 492 B11R1.1 CC=NNc1ccc(cc1)Cl 4a_100000683521_200000210099 [0,1,0,0,0,0|2,0,1]=4 493 B11R1.1 CC=NNc1ccc(cc1)F 4a_100000728448_200000210099 [0,1,0,0,0,0|2,0,1]=4 494 B11R1.1 CC=NNc1ccc(cc1)I 4a_100016988836_200000210099 [0,1,0,0,0,0|2,0,1]=4 495 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [0,1,0,0,0,0|1,0,2]=4 496 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [0,1,0,0,0,0|1,0,2]=4 497 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [0,1,0,0,0,0|1,0,2]=4 498 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [0,1,0,0,0,0|1,0,2]=4 499 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [0,1,0,0,0,0|1,0,2]=4 500 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [0,1,0,0,0,0|1,0,2]=4 501 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [0,1,0,0,0,0|1,0,2]=4 502 B11R1.1 CCCNc1ccc(cc1)Br 2230a_100000210018_100000210303 [0,1,0,0,0,0|1,0,2]=4 503 B11R1.1 CCCNc1ccc(cc1)Br 34a_100000210018_100000210303 [0,1,0,0,0,0|1,0,2]=4 504 B11R1.1 CCCNc1ccc(cc1)C 34a_100000124888_100000210303 [0,1,0,0,0,0|1,0,2]=4 505 B11R1.1 CCCNc1ccc(cc1)Cl 2230a_100000210052_100000210303 [0,1,0,0,0,0|1,0,2]=4 506 B11R1.1 CCCNc1ccc(cc1)Cl 34a_100000210052_100000210303 [0,1,0,0,0,0|1,0,2]=4 507 B11R1.1 CCCNc1ccc(cc1)F 34a_100000185862_100000210303 [0,1,0,0,0,0|1,0,2]=4 508 B11R1.1 CCCNc1ccc(cc1)I 34a_100000185761_100000210303 [0,1,0,0,0,0|1,0,2]=4 509 B11R1.1 CCCNc1ccc(cc1)O 34a_100000185829_100000210303 [0,1,0,0,0,0|1,0,2]=4 510 B11R1.1 CCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210303 [0,1,0,0,0,0|1,0,2]=4 511 B11R1.1 CCCOc1ccc(cc1)Br 34a_100000185759_100000210303 [0,1,0,0,0,0|0,0,2]=3 512 B11R1.1 CCCOc1ccc(cc1)Br 7a_100000185759_100000210303 [0,1,0,0,0,0|0,0,2]=3 513 B11R1.1 CCCOc1ccc(cc1)C 34a_100000210336_100000210303 [0,1,0,0,0,0|0,0,2]=3 514 B11R1.1 CCCOc1ccc(cc1)C 7a_100000210336_100000210303 [0,1,0,0,0,0|0,0,2]=3 515 B11R1.1 CCCOc1ccc(cc1)Cl 34a_100000210216_100000210303 [0,1,0,0,0,0|0,0,2]=3 516 B11R1.1 CCCOc1ccc(cc1)Cl 7a_100000210216_100000210303 [0,1,0,0,0,0|0,0,2]=3 517 B11R1.1 CCCOc1ccc(cc1)F 34a_100000210339_100000210303 [0,1,0,0,0,0|0,0,2]=3 518 B11R1.1 CCCOc1ccc(cc1)I 34a_100000212066_100000210303 [0,1,0,0,0,0|0,0,2]=3 519 B11R1.1 CCCOc1ccc(cc1)I 7a_100000212066_100000210303 [0,1,0,0,0,0|0,0,2]=3 520 B11R1.1 CCCOc1ccc(cc1)N 34a_100000185829_100000210303 [0,1,0,0,0,0|0,0,2]=3 521 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [0,1,0,0,0,0|0,0,2]=3 522 B11R1.1 CCCOc1ccc(cn1)C 34a_100000759353_100000210303 [0,1,0,0,0,0|1,0,2]=4 523 B11R1.1 CCCOc1ccc(cn1)Cl 34a_100011215309_100000210303 [0,1,0,0,0,0|1,0,2]=4 524 B11R1.1 CCCOc1ccc(cn1)F 34a_100000742473_100000210303 [0,1,0,0,0,0|1,0,2]=4 525 B11R1.1 CCCOc1ccc(cn1)N 34a_100000729260_100000210303 [0,1,0,0,0,0|1,0,2]=4 526 B11R1.1 CCCOc1ccc(cn1)O 271570a_203496583355_100011465619 [0,1,0,0,0,0|1,0,2]=4 527 B11R1.1 CCCOc1ccc(nc1)Br 34a_100000685995_100000210303 [0,1,0,0,0,0|1,0,2]=4 528 B11R1.1 CCCOc1ccc(nc1)Br 7a_100000685995_100000210303 [0,1,0,0,0,0|1,0,2]=4 529 B11R1.1 CCCOc1ccc(nc1)C 34a_100000745506_100000210303 [0,1,0,0,0,0|1,0,2]=4 530 B11R1.1 CCCOc1ccc(nc1)C 7a_100000745506_100000210303 [0,1,0,0,0,0|1,0,2]=4 531 B11R1.1 CCCOc1ccc(nc1)Cl 34a_100000744096_100000210303 [0,1,0,0,0,0|1,0,2]=4 532 B11R1.1 CCCOc1ccc(nc1)Cl 7a_100000744096_100000210303 [0,1,0,0,0,0|1,0,2]=4 533 B11R1.1 CCCOc1ccc(nc1)F 34a_100000688820_100000210303 [0,1,0,0,0,0|1,0,2]=4 534 B11R1.1 CCCOc1ccc(nc1)F 7a_100000688820_100000210303 [0,1,0,0,0,0|1,0,2]=4 535 B11R1.1 CCCOc1ccc(nc1)I 34a_100000687607_100000210303 [0,1,0,0,0,0|1,0,2]=4 536 B11R1.1 CCCOc1ccc(nc1)I 7a_100000687607_100000210303 [0,1,0,0,0,0|1,0,2]=4 537 B11R1.1 CCCOc1ccc(nc1)N 34a_100015188713_100000210303 [0,1,0,0,0,0|1,0,2]=4 538 B11R1.1 CCCOc1ccc(nc1)N 7a_100015188713_100000210303 [0,1,0,0,0,0|1,0,2]=4 539 B11R1.1 CCCOc1ccc(nc1)O 271570a_203496583355_100000719977 [0,1,0,0,0,0|1,0,2]=4 540 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000210303_100000752885 [0,1,0,0,0,0|0,1,2]=4 541 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000752885_100000210303 [0,1,0,0,0,0|0,1,2]=4 542 B11R1.1 CCCSc1ccc(cc1)C 62a_100000186775_100000210303 [0,1,0,0,0,0|0,1,2]=4 543 B11R1.1 CCCSc1ccc(cc1)C 62a_100000210303_100000186775 [0,1,0,0,0,0|0,1,2]=4 544 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000210303_100000755918 [0,1,0,0,0,0|0,1,2]=4 545 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000755918_100000210303 [0,1,0,0,0,0|0,1,2]=4 546 B11R1.1 CCCSc1ccc(cc1)F 62a_100000210303_100000211213 [0,1,0,0,0,0|0,1,2]=4 547 B11R1.1 CCCSc1ccc(cc1)F 62a_100000211213_100000210303 [0,1,0,0,0,0|0,1,2]=4 548 B11R1.1 CCCSc1ccc(cc1)N 62a_100000185761_100000210303 [0,1,0,0,0,0|0,1,2]=4 549 B11R1.1 CCCSc1ccc(cc1)N 62a_100000210303_100000185761 [0,1,0,0,0,0|0,1,2]=4 550 B11R1.1 CCCSc1ccc(cc1)O 271570a_203496583355_200009811899 [0,1,0,0,0,0|0,1,2]=4 551 B11R1.1 CCCSc1ccc(cc1)O 62a_100000210303_100000185759 [0,1,0,0,0,0|0,1,2]=4 552 B11R1.1 CNCCc1ccc(cc1)Br 2230a_100000755846_200000210301 [0,1,0,0,0,0|2,0,1]=4 553 B11R1.1 CNCCc1ccc(cc1)Br 2230a_106832991635_100011740612 [0,1,0,0,0,0|2,0,1]=4 554 B11R1.1 CNCCc1ccc(cc1)Br 34a_100000755846_200000210301 [0,1,0,0,0,0|2,0,1]=4 555 B11R1.1 CNCCc1ccc(cc1)Br 34a_100102657272_100011740612 [0,1,0,0,0,0|2,0,1]=4 556 B11R1.1 CNCCc1ccc(cc1)Br 7a_106832991635_100011740612 [0,1,0,0,0,0|2,0,1]=4 557 B11R1.1 CNCCc1ccc(cc1)C 2230a_100000705350_200000210301 [0,1,0,0,0,0|2,0,1]=4 558 B11R1.1 CNCCc1ccc(cc1)C 2230a_106832991635_100011713686 [0,1,0,0,0,0|2,0,1]=4 559 B11R1.1 CNCCc1ccc(cc1)C 34a_100000705350_200000210301 [0,1,0,0,0,0|2,0,1]=4 560 B11R1.1 CNCCc1ccc(cc1)C 34a_100102657272_100011713686 [0,1,0,0,0,0|2,0,1]=4 561 B11R1.1 CNCCc1ccc(cc1)C 7a_106832991635_100011713686 [0,1,0,0,0,0|2,0,1]=4 562 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_100000185265_200000210301 [0,1,0,0,0,0|2,0,1]=4 563 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_106832991635_100011713675 [0,1,0,0,0,0|2,0,1]=4 564 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100000185265_200000210301 [0,1,0,0,0,0|2,0,1]=4 565 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100102657272_100011713675 [0,1,0,0,0,0|2,0,1]=4 566 B11R1.1 CNCCc1ccc(cc1)Cl 7a_106832991635_100011713675 [0,1,0,0,0,0|2,0,1]=4 567 B11R1.1 CNCCc1ccc(cc1)F 2230a_100000199005_200000210301 [0,1,0,0,0,0|2,0,1]=4 568 B11R1.1 CNCCc1ccc(cc1)F 2230a_106832991635_100011217392 [0,1,0,0,0,0|2,0,1]=4 569 B11R1.1 CNCCc1ccc(cc1)F 34a_100000199005_200000210301 [0,1,0,0,0,0|2,0,1]=4 570 B11R1.1 CNCCc1ccc(cc1)F 34a_100102657272_100011217392 [0,1,0,0,0,0|2,0,1]=4 571 B11R1.1 CNCCc1ccc(cc1)F 7a_106832991635_100011217392 [0,1,0,0,0,0|2,0,1]=4 572 B11R1.1 CNCCc1ccc(cc1)O 2230a_106832991635_100009816426 [0,1,0,0,0,0|2,0,1]=4 573 B11R1.1 CNCCc1ccc(cc1)O 271570a_203496583355_100000752880 [0,1,0,0,0,0|2,0,1]=4 574 B11R1.1 CNCCc1ccc(cc1)O 34a_100000743037_200000210301 [0,1,0,0,0,0|2,0,1]=4 575 B11R1.1 CNCCc1ccc(cc1)O 7a_106832991635_100009816426 [0,1,0,0,0,0|2,0,1]=4 576 B11R1.1 COCCc1ccc(cc1)Br 34a_100000766406_200000210301 [0,1,0,0,0,0|2,0,1]=4 577 B11R1.1 COCCc1ccc(cc1)Br 34a_100138415774_100011740612 [0,1,0,0,0,0|2,0,1]=4 578 B11R1.1 COCCc1ccc(cc1)Br 7a_100000766406_200000210301 [0,1,0,0,0,0|2,0,1]=4 579 B11R1.1 COCCc1ccc(cc1)C 34a_100000756670_200000210301 [0,1,0,0,0,0|2,0,1]=4 580 B11R1.1 COCCc1ccc(cc1)C 34a_100138415774_100011713686 [0,1,0,0,0,0|2,0,1]=4 581 B11R1.1 COCCc1ccc(cc1)C 7a_100000756670_200000210301 [0,1,0,0,0,0|2,0,1]=4 582 B11R1.1 COCCc1ccc(cc1)Cl 34a_100011219627_200000210301 [0,1,0,0,0,0|2,0,1]=4 583 B11R1.1 COCCc1ccc(cc1)Cl 34a_100138415774_100011713675 [0,1,0,0,0,0|2,0,1]=4 584 B11R1.1 COCCc1ccc(cc1)Cl 7a_100011219627_200000210301 [0,1,0,0,0,0|2,0,1]=4 585 B11R1.1 COCCc1ccc(cc1)F 34a_100000754732_200000210301 [0,1,0,0,0,0|2,0,1]=4 586 B11R1.1 COCCc1ccc(cc1)F 34a_100138415774_100011217392 [0,1,0,0,0,0|2,0,1]=4 587 B11R1.1 COCCc1ccc(cc1)F 7a_100000754732_200000210301 [0,1,0,0,0,0|2,0,1]=4 588 B11R1.1 COCCc1ccc(cc1)I 34a_100012291149_200000210301 [0,1,0,0,0,0|2,0,1]=4 589 B11R1.1 COCCc1ccc(cc1)I 7a_100012291149_200000210301 [0,1,0,0,0,0|2,0,1]=4 590 B11R1.1 COCCc1ccc(cc1)N 34a_100011204434_200000210301 [0,1,0,0,0,0|2,0,1]=4 591 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [0,1,0,0,0,0|2,0,1]=4 592 B11R1.1 COCNc1ccc(cc1)Br 2230a_100000210018_100000766300 [0,1,0,0,0,0|2,0,1]=4 593 B11R1.1 COCNc1ccc(cc1)Cl 2230a_100000210052_100000766300 [0,1,0,0,0,0|2,0,1]=4 594 B11R1.1 COCOc1ccc(cc1)O 271570a_203496583355_100012265687 [0,1,0,0,0,0|1,0,1]=3 595 B11R1.1 COCOc1ccc(nc1)O 271570a_203496583355_100012568617 [0,1,0,0,0,0|2,0,1]=4 596 B11R1.1 COCSc1ccc(cc1)Br 62a_100000752885_100000766300 [0,1,0,0,0,0|1,1,1]=4 597 B11R1.1 COCSc1ccc(cc1)Br 62a_100000766300_100000752885 [0,1,0,0,0,0|1,1,1]=4 598 B11R1.1 COCSc1ccc(cc1)C 62a_100000186775_100000766300 [0,1,0,0,0,0|1,1,1]=4 599 B11R1.1 COCSc1ccc(cc1)C 62a_100000766300_100000186775 [0,1,0,0,0,0|1,1,1]=4 600 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000755918_100000766300 [0,1,0,0,0,0|1,1,1]=4 601 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000766300_100000755918 [0,1,0,0,0,0|1,1,1]=4 602 B11R1.1 COCSc1ccc(cc1)F 62a_100000211213_100000766300 [0,1,0,0,0,0|1,1,1]=4 603 B11R1.1 COCSc1ccc(cc1)F 62a_100000766300_100000211213 [0,1,0,0,0,0|1,1,1]=4 604 B11R1.1 COCSc1ccc(cc1)N 62a_100000185761_100000766300 [0,1,0,0,0,0|1,1,1]=4 605 B11R1.1 COCSc1ccc(cc1)N 62a_100000766300_100000185761 [0,1,0,0,0,0|1,1,1]=4 606 B11R1.1 COCSc1ccc(cc1)O 62a_100000766300_100000185759 [0,1,0,0,0,0|1,1,1]=4 607 B11R1.1 CSCCc1ccc(cc1)Br 62a_100011740612_200000210301 [0,1,0,0,0,0|2,0,1]=4 608 B11R1.1 CSCCc1ccc(cc1)Br 62a_200000210301_100011740612 [0,1,0,0,0,0|2,0,1]=4 609 B11R1.1 CSCCc1ccc(cc1)C 62a_100011713686_200000210301 [0,1,0,0,0,0|2,0,1]=4 610 B11R1.1 CSCCc1ccc(cc1)C 62a_200000210301_100011713686 [0,1,0,0,0,0|2,0,1]=4 611 B11R1.1 CSCCc1ccc(cc1)Cl 62a_100011713675_200000210301 [0,1,0,0,0,0|2,0,1]=4 612 B11R1.1 CSCCc1ccc(cc1)Cl 62a_200000210301_100011713675 [0,1,0,0,0,0|2,0,1]=4 613 B11R1.1 CSCCc1ccc(cc1)F 62a_100011217392_200000210301 [0,1,0,0,0,0|2,0,1]=4 614 B11R1.1 CSCCc1ccc(cc1)F 62a_200000210301_100011217392 [0,1,0,0,0,0|2,0,1]=4 615 B11R1.1 CSCCc1ccc(cc1)O 62a_100009816426_200000210301 [0,1,0,0,0,0|2,0,1]=4 616 B11R1.1 CSCCc1ccc(cc1)O 62a_200000210301_100009816426 [0,1,0,0,0,0|2,0,1]=4 617 B11R1.1 CSCNc1ccc(cc1)Br 2230a_100000210018_100011218213 [0,1,0,0,0,0|2,0,1]=4 618 B11R1.1 CSCNc1ccc(cc1)Br 34a_100000210018_100011218213 [0,1,0,0,0,0|2,0,1]=4 619 B11R1.1 CSCNc1ccc(cc1)C 34a_100000124888_100011218213 [0,1,0,0,0,0|2,0,1]=4 620 B11R1.1 CSCNc1ccc(cc1)Cl 2230a_100000210052_100011218213 [0,1,0,0,0,0|2,0,1]=4 621 B11R1.1 CSCNc1ccc(cc1)Cl 34a_100000210052_100011218213 [0,1,0,0,0,0|2,0,1]=4 622 B11R1.1 CSCNc1ccc(cc1)F 34a_100000185862_100011218213 [0,1,0,0,0,0|2,0,1]=4 623 B11R1.1 CSCNc1ccc(cc1)I 34a_100000185761_100011218213 [0,1,0,0,0,0|2,0,1]=4 624 B11R1.1 CSCNc1ccc(cc1)O 34a_100000185829_100011218213 [0,1,0,0,0,0|2,0,1]=4 625 B11R1.1 CSCOc1ccc(=O)[nH]c1 34a_100000075641_100011218213 [0,1,0,0,0,0|2,0,1]=4 626 B11R1.1 CSCOc1ccc(cc1)Br 34a_100000185759_100011218213 [0,1,0,0,0,0|1,0,1]=3 627 B11R1.1 CSCOc1ccc(cc1)C 34a_100000210336_100011218213 [0,1,0,0,0,0|1,0,1]=3 628 B11R1.1 CSCOc1ccc(cc1)Cl 34a_100000210216_100011218213 [0,1,0,0,0,0|1,0,1]=3 629 B11R1.1 CSCOc1ccc(cc1)F 34a_100000210339_100011218213 [0,1,0,0,0,0|1,0,1]=3 630 B11R1.1 CSCOc1ccc(cc1)I 34a_100000212066_100011218213 [0,1,0,0,0,0|1,0,1]=3 631 B11R1.1 CSCOc1ccc(cc1)N 34a_100000185829_100011218213 [0,1,0,0,0,0|1,0,1]=3 632 B11R1.1 CSCOc1ccc(cn1)C 34a_100000759353_100011218213 [0,1,0,0,0,0|2,0,1]=4 633 B11R1.1 CSCOc1ccc(cn1)Cl 34a_100011215309_100011218213 [0,1,0,0,0,0|2,0,1]=4 634 B11R1.1 CSCOc1ccc(cn1)F 34a_100000742473_100011218213 [0,1,0,0,0,0|2,0,1]=4 635 B11R1.1 CSCOc1ccc(cn1)N 34a_100000729260_100011218213 [0,1,0,0,0,0|2,0,1]=4 636 B11R1.1 CSCOc1ccc(nc1)Br 34a_100000685995_100011218213 [0,1,0,0,0,0|2,0,1]=4 637 B11R1.1 CSCOc1ccc(nc1)C 34a_100000745506_100011218213 [0,1,0,0,0,0|2,0,1]=4 638 B11R1.1 CSCOc1ccc(nc1)Cl 34a_100000744096_100011218213 [0,1,0,0,0,0|2,0,1]=4 639 B11R1.1 CSCOc1ccc(nc1)F 34a_100000688820_100011218213 [0,1,0,0,0,0|2,0,1]=4 640 B11R1.1 CSCOc1ccc(nc1)I 34a_100000687607_100011218213 [0,1,0,0,0,0|2,0,1]=4 641 B11R1.1 CSCOc1ccc(nc1)N 34a_100015188713_100011218213 [0,1,0,0,0,0|2,0,1]=4 642 B11R1.1 CSCSc1ccc(cc1)Br 62a_100000752885_100011218213 [0,1,0,0,0,0|1,1,1]=4 643 B11R1.1 CSCSc1ccc(cc1)Br 62a_100011218213_100000752885 [0,1,0,0,0,0|1,1,1]=4 644 B11R1.1 CSCSc1ccc(cc1)C 62a_100000186775_100011218213 [0,1,0,0,0,0|1,1,1]=4 645 B11R1.1 CSCSc1ccc(cc1)C 62a_100011218213_100000186775 [0,1,0,0,0,0|1,1,1]=4 646 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100000755918_100011218213 [0,1,0,0,0,0|1,1,1]=4 647 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100011218213_100000755918 [0,1,0,0,0,0|1,1,1]=4 648 B11R1.1 CSCSc1ccc(cc1)F 62a_100000211213_100011218213 [0,1,0,0,0,0|1,1,1]=4 649 B11R1.1 CSCSc1ccc(cc1)F 62a_100011218213_100000211213 [0,1,0,0,0,0|1,1,1]=4 650 B11R1.1 CSCSc1ccc(cc1)N 62a_100000185761_100011218213 [0,1,0,0,0,0|1,1,1]=4 651 B11R1.1 CSCSc1ccc(cc1)N 62a_100011218213_100000185761 [0,1,0,0,0,0|1,1,1]=4 652 B11R1.1 CSCSc1ccc(cc1)O 62a_100011218213_100000185759 [0,1,0,0,0,0|1,1,1]=4 653 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 2230a_100000705350_200025704644 [0,1,0,0,0,0|2,0,1]=4 654 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 34a_100000705350_200025704644 [0,1,0,0,0,0|2,0,1]=4 655 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 34a_100000756670_200025704644 [0,1,0,0,0,0|2,0,1]=4 656 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 7a_100000756670_200025704644 [0,1,0,0,0,0|2,0,1]=4 657 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_100011713686_200025704644 [0,1,0,0,0,0|2,0,1]=4 658 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713686 [0,1,0,0,0,0|2,0,1]=4 659 B11R1.1 Cc1ccc(cc1)NCC=O 34a_100000124888_200009817547 [0,1,0,0,0,0|2,0,0]=3 660 B11R1.1 Cc1ccc(cc1)NCCF 34a_100000124888_100011217306 [0,1,0,0,0,0|2,0,1]=4 661 B11R1.1 Cc1ccc(cc1)NCCO 34a_100000124888_100000211926 [0,1,0,0,0,0|2,0,1]=4 662 B11R1.1 Cc1ccc(cc1)OCC#N 7a_100000210336_100011215382 [0,1,0,0,0,0|1,0,1]=3 663 B11R1.1 Cc1ccc(cc1)OCC=O 34a_100000210336_200009817547 [0,1,0,0,0,0|1,0,0]=2 664 B11R1.1 Cc1ccc(cc1)OCC=O 7a_100000210336_200015260668 [0,1,0,0,0,0|1,0,0]=2 665 B11R1.1 Cc1ccc(cc1)OCCF 34a_100000210336_100011217306 [0,1,0,0,0,0|1,0,1]=3 666 B11R1.1 Cc1ccc(cc1)OCCF 7a_100000210336_100011217306 [0,1,0,0,0,0|1,0,1]=3 667 B11R1.1 Cc1ccc(cc1)OCCO 34a_100000210336_100000211926 [0,1,0,0,0,0|1,0,1]=3 668 B11R1.1 Cc1ccc(cc1)OCCO 7a_100000210336_100000211926 [0,1,0,0,0,0|1,0,1]=3 669 B11R1.1 Cc1ccc(cc1)SCC#N 62a_100000186775_100011215382 [0,1,0,0,0,0|1,1,1]=4 670 B11R1.1 Cc1ccc(cc1)SCC#N 62a_100011215382_100000186775 [0,1,0,0,0,0|1,1,1]=4 671 B11R1.1 Cc1ccc(cc1)SCC=O 62a_100000186775_200015260668 [0,1,0,0,0,0|1,1,0]=3 672 B11R1.1 Cc1ccc(cc1)SCC=O 62a_200015260668_100000186775 [0,1,0,0,0,0|1,1,0]=3 673 B11R1.1 Cc1ccc(cc1)SCCF 62a_100000186775_100011217306 [0,1,0,0,0,0|1,1,1]=4 674 B11R1.1 Cc1ccc(cc1)SCCF 62a_100011217306_100000186775 [0,1,0,0,0,0|1,1,1]=4 675 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000186775_100000211926 [0,1,0,0,0,0|1,1,1]=4 676 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000211926_100000186775 [0,1,0,0,0,0|1,1,1]=4 677 B11R1.1 Cc1ccc(cn1)OCC#N 7a_100000745506_100011215382 [0,1,0,0,0,0|2,0,1]=4 678 B11R1.1 Cc1ccc(cn1)OCC=O 34a_100000745506_200009817547 [0,1,0,0,0,0|2,0,0]=3 679 B11R1.1 Cc1ccc(cn1)OCC=O 7a_100000745506_200015260668 [0,1,0,0,0,0|2,0,0]=3 680 B11R1.1 Cc1ccc(cn1)OCCF 34a_100000745506_100011217306 [0,1,0,0,0,0|2,0,1]=4 681 B11R1.1 Cc1ccc(cn1)OCCF 7a_100000745506_100011217306 [0,1,0,0,0,0|2,0,1]=4 682 B11R1.1 Cc1ccc(cn1)OCCO 34a_100000745506_100000211926 [0,1,0,0,0,0|2,0,1]=4 683 B11R1.1 Cc1ccc(cn1)OCCO 7a_100000745506_100000211926 [0,1,0,0,0,0|2,0,1]=4 684 B11R1.1 Cc1ccc(cn1)SCC=O 62a_100000751577_200015260668 [0,1,0,0,0,0|2,1,0]=4 685 B11R1.1 Cc1ccc(cn1)SCC=O 62a_200015260668_100000751577 [0,1,0,0,0,0|2,1,0]=4 686 B11R1.1 Cc1ccc(nc1)OCC=O 34a_100000759353_200009817547 [0,1,0,0,0,0|2,0,0]=3 687 B11R1.1 Cc1ccc(nc1)OCCF 34a_100000759353_100011217306 [0,1,0,0,0,0|2,0,1]=4 688 B11R1.1 Cc1ccc(nc1)OCCO 34a_100000759353_100000211926 [0,1,0,0,0,0|2,0,1]=4 689 B11R1.1 Cc1ccc(nc1)SCC=O 62a_100011192072_200015260668 [0,1,0,0,0,0|2,1,0]=4 690 B11R1.1 Cc1ccc(nc1)SCC=O 62a_200015260668_100000754016 [0,1,0,0,0,0|2,1,0]=4 691 B11R1.1 Cc1ncc(cn1)OCC=O 34a_100000062939_200009817547 [0,1,0,0,0,0|3,0,0]=4 692 B11R1.1 Cc1ncc(cn1)OCC=O 7a_100000062939_200015260668 [0,1,0,0,0,0|3,0,0]=4 693 B11R1.1 FCCNc1ccc(cc1)Br 2230a_100000210018_100011217306 [0,1,0,0,0,0|2,0,1]=4 694 B11R1.1 FCCNc1ccc(cc1)Br 34a_100000210018_100011217306 [0,1,0,0,0,0|2,0,1]=4 695 B11R1.1 FCCNc1ccc(cc1)Cl 2230a_100000210052_100011217306 [0,1,0,0,0,0|2,0,1]=4 696 B11R1.1 FCCNc1ccc(cc1)Cl 34a_100000210052_100011217306 [0,1,0,0,0,0|2,0,1]=4 697 B11R1.1 FCCNc1ccc(cc1)F 34a_100000185862_100011217306 [0,1,0,0,0,0|2,0,1]=4 698 B11R1.1 FCCNc1ccc(cc1)I 34a_100000185761_100011217306 [0,1,0,0,0,0|2,0,1]=4 699 B11R1.1 FCCOc1ccc(cc1)Br 34a_100000185759_100011217306 [0,1,0,0,0,0|1,0,1]=3 700 B11R1.1 FCCOc1ccc(cc1)Br 7a_100000185759_100011217306 [0,1,0,0,0,0|1,0,1]=3 701 B11R1.1 FCCOc1ccc(cc1)Cl 34a_100000210216_100011217306 [0,1,0,0,0,0|1,0,1]=3 702 B11R1.1 FCCOc1ccc(cc1)Cl 7a_100000210216_100011217306 [0,1,0,0,0,0|1,0,1]=3 703 B11R1.1 FCCOc1ccc(cc1)F 34a_100000210339_100011217306 [0,1,0,0,0,0|1,0,1]=3 704 B11R1.1 FCCOc1ccc(cc1)I 34a_100000212066_100011217306 [0,1,0,0,0,0|1,0,1]=3 705 B11R1.1 FCCOc1ccc(cc1)I 7a_100000212066_100011217306 [0,1,0,0,0,0|1,0,1]=3 706 B11R1.1 FCCOc1ccc(cn1)Cl 34a_100011215309_100011217306 [0,1,0,0,0,0|2,0,1]=4 707 B11R1.1 FCCOc1ccc(cn1)F 34a_100000742473_100011217306 [0,1,0,0,0,0|2,0,1]=4 708 B11R1.1 FCCOc1ccc(nc1)Br 34a_100000685995_100011217306 [0,1,0,0,0,0|2,0,1]=4 709 B11R1.1 FCCOc1ccc(nc1)Br 7a_100000685995_100011217306 [0,1,0,0,0,0|2,0,1]=4 710 B11R1.1 FCCOc1ccc(nc1)Cl 34a_100000744096_100011217306 [0,1,0,0,0,0|2,0,1]=4 711 B11R1.1 FCCOc1ccc(nc1)Cl 7a_100000744096_100011217306 [0,1,0,0,0,0|2,0,1]=4 712 B11R1.1 FCCOc1ccc(nc1)F 34a_100000688820_100011217306 [0,1,0,0,0,0|2,0,1]=4 713 B11R1.1 FCCOc1ccc(nc1)F 7a_100000688820_100011217306 [0,1,0,0,0,0|2,0,1]=4 714 B11R1.1 FCCOc1ccc(nc1)I 34a_100000687607_100011217306 [0,1,0,0,0,0|2,0,1]=4 715 B11R1.1 FCCOc1ccc(nc1)I 7a_100000687607_100011217306 [0,1,0,0,0,0|2,0,1]=4 716 B11R1.1 FCCSc1ccc(cc1)Br 62a_100000752885_100011217306 [0,1,0,0,0,0|1,1,1]=4 717 B11R1.1 FCCSc1ccc(cc1)Br 62a_100011217306_100000752885 [0,1,0,0,0,0|1,1,1]=4 718 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100000755918_100011217306 [0,1,0,0,0,0|1,1,1]=4 719 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100011217306_100000755918 [0,1,0,0,0,0|1,1,1]=4 720 B11R1.1 FCCSc1ccc(cc1)F 62a_100000211213_100011217306 [0,1,0,0,0,0|1,1,1]=4 721 B11R1.1 FCCSc1ccc(cc1)F 62a_100011217306_100000211213 [0,1,0,0,0,0|1,1,1]=4 722 B11R1.1 N#CCCc1ccc(cc1)O 271570a_203496583355_100011216407 [0,1,0,0,0,0|2,0,1]=4 723 B11R1.1 N#CCNc1ccc(cc1)Br 2230a_100000210018_100011215382 [0,1,0,0,0,0|2,0,1]=4 724 B11R1.1 N#CCNc1ccc(cc1)Cl 2230a_100000210052_100011215382 [0,1,0,0,0,0|2,0,1]=4 725 B11R1.1 N#CCOc1ccc(cc1)Br 7a_100000185759_100011215382 [0,1,0,0,0,0|1,0,1]=3 726 B11R1.1 N#CCOc1ccc(cc1)Cl 7a_100000210216_100011215382 [0,1,0,0,0,0|1,0,1]=3 727 B11R1.1 N#CCOc1ccc(cc1)I 7a_100000212066_100011215382 [0,1,0,0,0,0|1,0,1]=3 728 B11R1.1 N#CCOc1ccc(cc1)O 271570a_203496583355_200000169425 [0,1,0,0,0,0|1,0,1]=3 729 B11R1.1 N#CCOc1ccc(nc1)Br 7a_100000685995_100011215382 [0,1,0,0,0,0|2,0,1]=4 730 B11R1.1 N#CCOc1ccc(nc1)Cl 7a_100000744096_100011215382 [0,1,0,0,0,0|2,0,1]=4 731 B11R1.1 N#CCOc1ccc(nc1)F 7a_100000688820_100011215382 [0,1,0,0,0,0|2,0,1]=4 732 B11R1.1 N#CCOc1ccc(nc1)I 7a_100000687607_100011215382 [0,1,0,0,0,0|2,0,1]=4 733 B11R1.1 N#CCOc1ccc(nc1)N 7a_100015188713_100011215382 [0,1,0,0,0,0|2,0,1]=4 734 B11R1.1 N#CCSc1ccc(cc1)Br 62a_100000752885_100011215382 [0,1,0,0,0,0|1,1,1]=4 735 B11R1.1 N#CCSc1ccc(cc1)Br 62a_100011215382_100000752885 [0,1,0,0,0,0|1,1,1]=4 736 B11R1.1 N#CCSc1ccc(cc1)Cl 62a_100000755918_100011215382 [0,1,0,0,0,0|1,1,1]=4 737 B11R1.1 N#CCSc1ccc(cc1)Cl 62a_100011215382_100000755918 [0,1,0,0,0,0|1,1,1]=4 738 B11R1.1 N#CCSc1ccc(cc1)F 62a_100000211213_100011215382 [0,1,0,0,0,0|1,1,1]=4 739 B11R1.1 N#CCSc1ccc(cc1)F 62a_100011215382_100000211213 [0,1,0,0,0,0|1,1,1]=4 740 B11R1.1 N#CCSc1ccc(cc1)N 62a_100000185761_100011215382 [0,1,0,0,0,0|1,1,1]=4 741 B11R1.1 N#CCSc1ccc(cc1)N 62a_100011215382_100000185761 [0,1,0,0,0,0|1,1,1]=4 742 B11R1.1 N#CCSc1ccc(cc1)O 62a_100011215382_100000185759 [0,1,0,0,0,0|1,1,1]=4 743 B11R1.1 NCCCc1ccc(cc1)O 271570a_203496583355_100011297623 [0,1,0,0,0,0|2,0,1]=4 744 B11R1.1 NCCOc1ccc(cc1)O 271570a_203496583355_100000746992 [0,1,0,0,0,0|1,0,1]=3 745 B11R1.1 NCCSc1ccc(cc1)O 271570a_203496583355_100000184645 [0,1,0,0,0,0|1,1,1]=4 746 B11R1.1 Nc1ccc(cc1)OCC=O 34a_100000185829_200009817547 [0,1,0,0,0,0|1,0,0]=2 747 B11R1.1 Nc1ccc(cc1)OCCF 34a_100000185829_100011217306 [0,1,0,0,0,0|1,0,1]=3 748 B11R1.1 Nc1ccc(cc1)OCCO 34a_100000185829_100000211926 [0,1,0,0,0,0|1,0,1]=3 749 B11R1.1 Nc1ccc(cc1)SCC=O 62a_100000185761_200015260668 [0,1,0,0,0,0|1,1,0]=3 750 B11R1.1 Nc1ccc(cc1)SCC=O 62a_200015260668_100000185761 [0,1,0,0,0,0|1,1,0]=3 751 B11R1.1 Nc1ccc(cc1)SCCF 62a_100000185761_100011217306 [0,1,0,0,0,0|1,1,1]=4 752 B11R1.1 Nc1ccc(cc1)SCCF 62a_100011217306_100000185761 [0,1,0,0,0,0|1,1,1]=4 753 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000185761_100000211926 [0,1,0,0,0,0|1,1,1]=4 754 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000211926_100000185761 [0,1,0,0,0,0|1,1,1]=4 755 B11R1.1 Nc1ccc(cn1)OCC=O 34a_100015188713_200009817547 [0,1,0,0,0,0|2,0,0]=3 756 B11R1.1 Nc1ccc(cn1)OCC=O 7a_100015188713_200015260668 [0,1,0,0,0,0|2,0,0]=3 757 B11R1.1 Nc1ccc(cn1)OCCF 34a_100015188713_100011217306 [0,1,0,0,0,0|2,0,1]=4 758 B11R1.1 Nc1ccc(cn1)OCCF 7a_100015188713_100011217306 [0,1,0,0,0,0|2,0,1]=4 759 B11R1.1 Nc1ccc(cn1)OCCO 34a_100015188713_100000211926 [0,1,0,0,0,0|2,0,1]=4 760 B11R1.1 Nc1ccc(cn1)OCCO 7a_100015188713_100000211926 [0,1,0,0,0,0|2,0,1]=4 761 B11R1.1 Nc1ccc(cn1)SCC=O 62a_100000187370_200015260668 [0,1,0,0,0,0|2,1,0]=4 762 B11R1.1 Nc1ccc(cn1)SCC=O 62a_200015260668_100000187370 [0,1,0,0,0,0|2,1,0]=4 763 B11R1.1 Nc1ccc(nc1)OCC=O 34a_100000729260_200009817547 [0,1,0,0,0,0|2,0,0]=3 764 B11R1.1 Nc1ccc(nc1)OCCF 34a_100000729260_100011217306 [0,1,0,0,0,0|2,0,1]=4 765 B11R1.1 Nc1ccc(nc1)OCCO 34a_100000729260_100000211926 [0,1,0,0,0,0|2,0,1]=4 766 B11R1.1 Nc1ccc(nc1)SCC=O 62a_100000737798_200015260668 [0,1,0,0,0,0|2,1,0]=4 767 B11R1.1 Nc1ccc(nc1)SCC=O 62a_200015260668_100000737798 [0,1,0,0,0,0|2,1,0]=4 768 B11R1.1 Nc1ncc(cn1)OCC=O 34a_100000087137_200009817547 [0,1,0,0,0,0|3,0,0]=4 769 B11R1.1 Nc1ncc(cn1)OCC=O 7a_100000087137_200015260668 [0,1,0,0,0,0|3,0,0]=4 770 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [0,1,0,0,0,0|2,0,0]=3 771 B11R1.1 O=CCNc1ccc(cc1)Br 2230a_100000210018_200015260668 [0,1,0,0,0,0|2,0,0]=3 772 B11R1.1 O=CCNc1ccc(cc1)Br 34a_100000210018_200009817547 [0,1,0,0,0,0|2,0,0]=3 773 B11R1.1 O=CCNc1ccc(cc1)Cl 2230a_100000210052_200015260668 [0,1,0,0,0,0|2,0,0]=3 774 B11R1.1 O=CCNc1ccc(cc1)Cl 34a_100000210052_200009817547 [0,1,0,0,0,0|2,0,0]=3 775 B11R1.1 O=CCNc1ccc(cc1)F 34a_100000185862_200009817547 [0,1,0,0,0,0|2,0,0]=3 776 B11R1.1 O=CCNc1ccc(cc1)I 34a_100000185761_200009817547 [0,1,0,0,0,0|2,0,0]=3 777 B11R1.1 O=CCNc1ccc(cc1)O 34a_100000185829_200009817547 [0,1,0,0,0,0|2,0,0]=3 778 B11R1.1 O=CCOc1ccc(=O)[nH]c1 34a_100000075641_200009817547 [0,1,0,0,0,0|2,0,0]=3 779 B11R1.1 O=CCOc1ccc(cc1)Br 34a_100000185759_200009817547 [0,1,0,0,0,0|1,0,0]=2 780 B11R1.1 O=CCOc1ccc(cc1)Br 7a_100000185759_200015260668 [0,1,0,0,0,0|1,0,0]=2 781 B11R1.1 O=CCOc1ccc(cc1)Cl 34a_100000210216_200009817547 [0,1,0,0,0,0|1,0,0]=2 782 B11R1.1 O=CCOc1ccc(cc1)Cl 7a_100000210216_200015260668 [0,1,0,0,0,0|1,0,0]=2 783 B11R1.1 O=CCOc1ccc(cc1)F 34a_100000210339_200009817547 [0,1,0,0,0,0|1,0,0]=2 784 B11R1.1 O=CCOc1ccc(cc1)I 34a_100000212066_200009817547 [0,1,0,0,0,0|1,0,0]=2 785 B11R1.1 O=CCOc1ccc(cc1)I 7a_100000212066_200015260668 [0,1,0,0,0,0|1,0,0]=2 786 B11R1.1 O=CCOc1ccc(cn1)Cl 34a_100011215309_200009817547 [0,1,0,0,0,0|2,0,0]=3 787 B11R1.1 O=CCOc1ccc(cn1)F 34a_100000742473_200009817547 [0,1,0,0,0,0|2,0,0]=3 788 B11R1.1 O=CCOc1ccc(nc1)Br 34a_100000685995_200009817547 [0,1,0,0,0,0|2,0,0]=3 789 B11R1.1 O=CCOc1ccc(nc1)Br 7a_100000685995_200015260668 [0,1,0,0,0,0|2,0,0]=3 790 B11R1.1 O=CCOc1ccc(nc1)Cl 34a_100000744096_200009817547 [0,1,0,0,0,0|2,0,0]=3 791 B11R1.1 O=CCOc1ccc(nc1)Cl 7a_100000744096_200015260668 [0,1,0,0,0,0|2,0,0]=3 792 B11R1.1 O=CCOc1ccc(nc1)F 34a_100000688820_200009817547 [0,1,0,0,0,0|2,0,0]=3 793 B11R1.1 O=CCOc1ccc(nc1)F 7a_100000688820_200015260668 [0,1,0,0,0,0|2,0,0]=3 794 B11R1.1 O=CCOc1ccc(nc1)I 34a_100000687607_200009817547 [0,1,0,0,0,0|2,0,0]=3 795 B11R1.1 O=CCOc1ccc(nc1)I 7a_100000687607_200015260668 [0,1,0,0,0,0|2,0,0]=3 796 B11R1.1 O=CCOc1cnc(cn1)Br 34a_100011934580_200009817547 [0,1,0,0,0,0|3,0,0]=4 797 B11R1.1 O=CCOc1cnc(cn1)Cl 34a_100015839800_200009817547 [0,1,0,0,0,0|3,0,0]=4 798 B11R1.1 O=CCOc1cnc(nc1)Br 34a_100000730009_200009817547 [0,1,0,0,0,0|3,0,0]=4 799 B11R1.1 O=CCOc1cnc(nc1)Br 7a_100000730009_200015260668 [0,1,0,0,0,0|3,0,0]=4 800 B11R1.1 O=CCOc1cnc(nc1)Cl 34a_100000092845_200009817547 [0,1,0,0,0,0|3,0,0]=4 801 B11R1.1 O=CCOc1cnc(nc1)Cl 7a_100000092845_200015260668 [0,1,0,0,0,0|3,0,0]=4 802 B11R1.1 O=CCOc1cnc(nc1)F 34a_200009874573_200009817547 [0,1,0,0,0,0|3,0,0]=4 803 B11R1.1 O=CCOc1cnc(nc1)F 7a_200009874573_200015260668 [0,1,0,0,0,0|3,0,0]=4 804 B11R1.1 O=CCOc1ncc(cn1)F 34a_100011934040_200009817547 [0,1,0,0,0,0|3,0,0]=4 805 B11R1.1 O=CCSc1cc[n+](cc1)[O-] 62a_200015260668_100000039755 [0,1,0,0,0,0|2,1,0]=4 806 B11R1.1 O=CCSc1ccc(=O)[nH]c1 62a_100000212171_200015260668 [0,1,0,0,0,0|2,1,0]=4 807 B11R1.1 O=CCSc1ccc(=O)[nH]c1 62a_200015260668_100000212171 [0,1,0,0,0,0|2,1,0]=4 808 B11R1.1 O=CCSc1ccc(cc1)Br 62a_100000752885_200015260668 [0,1,0,0,0,0|1,1,0]=3 809 B11R1.1 O=CCSc1ccc(cc1)Br 62a_200015260668_100000752885 [0,1,0,0,0,0|1,1,0]=3 810 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_100000755918_200015260668 [0,1,0,0,0,0|1,1,0]=3 811 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_200015260668_100000755918 [0,1,0,0,0,0|1,1,0]=3 812 B11R1.1 O=CCSc1ccc(cc1)F 62a_100000211213_200015260668 [0,1,0,0,0,0|1,1,0]=3 813 B11R1.1 O=CCSc1ccc(cc1)F 62a_200015260668_100000211213 [0,1,0,0,0,0|1,1,0]=3 814 B11R1.1 O=CCSc1ccc(cc1)O 62a_200015260668_100000185759 [0,1,0,0,0,0|1,1,0]=3 815 B11R1.1 O=CCSc1ccc(cn1)Br 62a_100000686858_200015260668 [0,1,0,0,0,0|2,1,0]=4 816 B11R1.1 O=CCSc1ccc(cn1)Br 62a_200015260668_100000686858 [0,1,0,0,0,0|2,1,0]=4 817 B11R1.1 O=CCSc1ccc(cn1)Cl 62a_100011356976_200015260668 [0,1,0,0,0,0|2,1,0]=4 818 B11R1.1 O=CCSc1ccc(cn1)Cl 62a_200015260668_100011356976 [0,1,0,0,0,0|2,1,0]=4 819 B11R1.1 O=CCSc1ccc(cn1)F 62a_100000744514_200015260668 [0,1,0,0,0,0|2,1,0]=4 820 B11R1.1 O=CCSc1ccc(cn1)F 62a_200015260668_100000744514 [0,1,0,0,0,0|2,1,0]=4 821 B11R1.1 O=CCSc1ccc(cn1)O 62a_100000685995_200015260668 [0,1,0,0,0,0|2,1,0]=4 822 B11R1.1 O=CCSc1ccc(cn1)O 62a_200015260668_100000744096 [0,1,0,0,0,0|2,1,0]=4 823 B11R1.1 O=CCSc1ccc(nc1)Br 62a_100009814638_200015260668 [0,1,0,0,0,0|2,1,0]=4 824 B11R1.1 O=CCSc1ccc(nc1)Br 62a_200015260668_100009814638 [0,1,0,0,0,0|2,1,0]=4 825 B11R1.1 O=CCSc1ccc(nc1)Cl 62a_100000034144_200015260668 [0,1,0,0,0,0|2,1,0]=4 826 B11R1.1 O=CCSc1ccc(nc1)Cl 62a_200015260668_100000034144 [0,1,0,0,0,0|2,1,0]=4 827 B11R1.1 O=CCSc1ccc(nc1)F 62a_100000042367_200015260668 [0,1,0,0,0,0|2,1,0]=4 828 B11R1.1 O=CCSc1ccc(nc1)F 62a_200015260668_100000042367 [0,1,0,0,0,0|2,1,0]=4 829 B11R1.1 O=c1ccc(c[nH]1)OCCF 34a_100000075641_100011217306 [0,1,0,0,0,0|2,0,1]=4 830 B11R1.1 O=c1ccc(c[nH]1)OCCO 34a_100000075641_100000211926 [0,1,0,0,0,0|2,0,1]=4 831 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [0,1,0,0,0,0|2,0,1]=4 832 B11R1.1 OCCNc1ccc(cc1)Br 2230a_100000210018_100000211926 [0,1,0,0,0,0|2,0,1]=4 833 B11R1.1 OCCNc1ccc(cc1)Br 34a_100000210018_100000211926 [0,1,0,0,0,0|2,0,1]=4 834 B11R1.1 OCCNc1ccc(cc1)Cl 2230a_100000210052_100000211926 [0,1,0,0,0,0|2,0,1]=4 835 B11R1.1 OCCNc1ccc(cc1)Cl 34a_100000210052_100000211926 [0,1,0,0,0,0|2,0,1]=4 836 B11R1.1 OCCNc1ccc(cc1)F 34a_100000185862_100000211926 [0,1,0,0,0,0|2,0,1]=4 837 B11R1.1 OCCNc1ccc(cc1)I 34a_100000185761_100000211926 [0,1,0,0,0,0|2,0,1]=4 838 B11R1.1 OCCNc1ccc(cc1)O 34a_100000185829_100000211926 [0,1,0,0,0,0|2,0,1]=4 839 B11R1.1 OCCOc1ccc(cc1)Br 34a_100000185759_100000211926 [0,1,0,0,0,0|1,0,1]=3 840 B11R1.1 OCCOc1ccc(cc1)Br 7a_100000185759_100000211926 [0,1,0,0,0,0|1,0,1]=3 841 B11R1.1 OCCOc1ccc(cc1)Cl 34a_100000210216_100000211926 [0,1,0,0,0,0|1,0,1]=3 842 B11R1.1 OCCOc1ccc(cc1)Cl 7a_100000210216_100000211926 [0,1,0,0,0,0|1,0,1]=3 843 B11R1.1 OCCOc1ccc(cc1)F 34a_100000210339_100000211926 [0,1,0,0,0,0|1,0,1]=3 844 B11R1.1 OCCOc1ccc(cc1)I 34a_100000212066_100000211926 [0,1,0,0,0,0|1,0,1]=3 845 B11R1.1 OCCOc1ccc(cc1)I 7a_100000212066_100000211926 [0,1,0,0,0,0|1,0,1]=3 846 B11R1.1 OCCOc1ccc(cc1)O 271570a_203496583355_100000686261 [0,1,0,0,0,0|1,0,1]=3 847 B11R1.1 OCCOc1ccc(cn1)Cl 34a_100011215309_100000211926 [0,1,0,0,0,0|2,0,1]=4 848 B11R1.1 OCCOc1ccc(cn1)F 34a_100000742473_100000211926 [0,1,0,0,0,0|2,0,1]=4 849 B11R1.1 OCCOc1ccc(nc1)Br 34a_100000685995_100000211926 [0,1,0,0,0,0|2,0,1]=4 850 B11R1.1 OCCOc1ccc(nc1)Br 7a_100000685995_100000211926 [0,1,0,0,0,0|2,0,1]=4 851 B11R1.1 OCCOc1ccc(nc1)Cl 34a_100000744096_100000211926 [0,1,0,0,0,0|2,0,1]=4 852 B11R1.1 OCCOc1ccc(nc1)Cl 7a_100000744096_100000211926 [0,1,0,0,0,0|2,0,1]=4 853 B11R1.1 OCCOc1ccc(nc1)F 34a_100000688820_100000211926 [0,1,0,0,0,0|2,0,1]=4 854 B11R1.1 OCCOc1ccc(nc1)F 7a_100000688820_100000211926 [0,1,0,0,0,0|2,0,1]=4 855 B11R1.1 OCCOc1ccc(nc1)I 34a_100000687607_100000211926 [0,1,0,0,0,0|2,0,1]=4 856 B11R1.1 OCCOc1ccc(nc1)I 7a_100000687607_100000211926 [0,1,0,0,0,0|2,0,1]=4 857 B11R1.1 OCCOc1ccc(nc1)O 271570a_203496583355_200013150534 [0,1,0,0,0,0|2,0,1]=4 858 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000211926_100000752885 [0,1,0,0,0,0|1,1,1]=4 859 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000752885_100000211926 [0,1,0,0,0,0|1,1,1]=4 860 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000211926_100000755918 [0,1,0,0,0,0|1,1,1]=4 861 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000755918_100000211926 [0,1,0,0,0,0|1,1,1]=4 862 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211213_100000211926 [0,1,0,0,0,0|1,1,1]=4 863 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211926_100000211213 [0,1,0,0,0,0|1,1,1]=4 864 B11R1.1 OCCSc1ccc(cc1)O 62a_100000211926_100000185759 [0,1,0,0,0,0|1,1,1]=4 865 B11R1.1 Oc1ccc(cc1)NCCF 34a_100000185829_100011217306 [0,1,0,0,0,0|2,0,1]=4 866 B11R1.1 Oc1ccc(cc1)OCCF 271570a_203496583355_100012347556 [0,1,0,0,0,0|1,0,1]=3 867 B11R1.1 Oc1ccc(cc1)SCCF 62a_100011217306_100000185759 [0,1,0,0,0,0|1,1,1]=4 868 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 2230a_100000755846_200025704644 [0,1,0,0,0,0|2,0,1]=4 869 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 34a_100000755846_200025704644 [0,1,0,0,0,0|2,0,1]=4 870 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 2230a_100000185265_200025704644 [0,1,0,0,0,0|2,0,1]=4 871 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 34a_100000185265_200025704644 [0,1,0,0,0,0|2,0,1]=4 872 B11R1.1 [13CH3]NCCc1ccc(cc1)F 2230a_100000199005_200025704644 [0,1,0,0,0,0|2,0,1]=4 873 B11R1.1 [13CH3]NCCc1ccc(cc1)F 34a_100000199005_200025704644 [0,1,0,0,0,0|2,0,1]=4 874 B11R1.1 [13CH3]NCCc1ccc(cc1)O 34a_100000743037_200025704644 [0,1,0,0,0,0|2,0,1]=4 875 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 34a_100000766406_200025704644 [0,1,0,0,0,0|2,0,1]=4 876 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 7a_100000766406_200025704644 [0,1,0,0,0,0|2,0,1]=4 877 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 34a_100011219627_200025704644 [0,1,0,0,0,0|2,0,1]=4 878 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 7a_100011219627_200025704644 [0,1,0,0,0,0|2,0,1]=4 879 B11R1.1 [13CH3]OCCc1ccc(cc1)F 34a_100000754732_200025704644 [0,1,0,0,0,0|2,0,1]=4 880 B11R1.1 [13CH3]OCCc1ccc(cc1)F 7a_100000754732_200025704644 [0,1,0,0,0,0|2,0,1]=4 881 B11R1.1 [13CH3]OCCc1ccc(cc1)I 34a_100012291149_200025704644 [0,1,0,0,0,0|2,0,1]=4 882 B11R1.1 [13CH3]OCCc1ccc(cc1)I 7a_100012291149_200025704644 [0,1,0,0,0,0|2,0,1]=4 883 B11R1.1 [13CH3]OCCc1ccc(cc1)N 34a_100011204434_200025704644 [0,1,0,0,0,0|2,0,1]=4 884 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_100011740612_200025704644 [0,1,0,0,0,0|2,0,1]=4 885 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_200025704644_100011740612 [0,1,0,0,0,0|2,0,1]=4 886 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_100011713675_200025704644 [0,1,0,0,0,0|2,0,1]=4 887 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_200025704644_100011713675 [0,1,0,0,0,0|2,0,1]=4 888 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_100011217392_200025704644 [0,1,0,0,0,0|2,0,1]=4 889 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_200025704644_100011217392 [0,1,0,0,0,0|2,0,1]=4 890 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_100009816426_200025704644 [0,1,0,0,0,0|2,0,1]=4 891 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_200025704644_100009816426 [0,1,0,0,0,0|2,0,1]=4 892 B11R1.16 C#CCC(=O)c1ccccc1 1458a_100000185807_100000184674 [0,1,0,0,0,0|1,0,2]=4 893 B11R1.16 C#CCN(C)c1ccccc1 2230a_100000210012_100000038162 [0,1,0,0,0,0|1,0,2]=4 894 B11R1.16 C#CCN(C)c1ccccc1 34a_100000210012_100000184674 [0,1,0,0,0,0|1,0,2]=4 895 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [0,1,0,0,0,0|1,0,0]=2 896 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000210012_100000210623 [0,1,0,0,0,0|1,0,0]=2 897 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000211662_200000210301 [0,1,0,0,0,0|1,0,0]=2 898 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000210012_100000210623 [0,1,0,0,0,0|1,0,0]=2 899 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000211662_200000210301 [0,1,0,0,0,0|1,0,0]=2 900 B11R1.16 C=CCN(C)c1ccccc1 34a_100000210012_100015514636 [0,1,0,0,0,0|1,0,0]=2 901 B11R1.16 C=CCN(C)c1ccccc1 34a_100000211662_200000210301 [0,1,0,0,0,0|1,0,0]=2 902 B11R1.16 C=CCN([13CH3])c1ccccc1 2230a_100000211662_200025704644 [0,1,0,0,0,0|1,0,0]=2 903 B11R1.16 C=CCN([13CH3])c1ccccc1 269982a_100000211662_200025704644 [0,1,0,0,0,0|1,0,0]=2 904 B11R1.16 C=CCN([13CH3])c1ccccc1 34a_100000211662_200025704644 [0,1,0,0,0,0|1,0,0]=2 905 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [0,1,0,0,0,0|2,0,1]=4 906 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [0,1,0,0,0,0|2,0,1]=4 907 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [0,1,0,0,0,0|2,0,1]=4 908 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [0,1,0,0,0,0|2,0,1]=4 909 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [0,1,0,0,0,0|2,0,1]=4 910 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [0,1,0,0,0,0|2,0,1]=4 911 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [0,1,0,0,0,0|1,0,2]=4 912 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [0,1,0,0,0,0|1,0,2]=4 913 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [0,1,0,0,0,0|1,0,2]=4 914 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [0,1,0,0,0,0|1,0,2]=4 915 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [0,1,0,0,0,0|1,0,2]=4 916 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [0,1,0,0,0,0|1,0,2]=4 917 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [0,1,0,0,0,0|1,0,2]=4 918 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [0,1,0,0,0,0|1,0,2]=4 919 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [0,1,0,0,0,0|1,0,2]=4 920 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [0,1,0,0,0,0|1,0,2]=4 921 B11R1.16 CN(CC#N)c1ccccc1 2230a_100000210012_100011215382 [0,1,0,0,0,0|2,0,1]=4 922 B11R1.16 CN(CC#N)c1ccccc1 269982a_100000210012_100011214920 [0,1,0,0,0,0|2,0,1]=4 923 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [0,1,0,0,0,0|2,0,0]=3 924 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [0,1,0,0,0,0|2,0,0]=3 925 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [0,1,0,0,0,0|2,0,0]=3 926 B11R1.16 CN(CCF)c1ccccc1 2230a_100000210012_100011217306 [0,1,0,0,0,0|2,0,1]=4 927 B11R1.16 CN(CCF)c1ccccc1 269982a_100000210012_100011217306 [0,1,0,0,0,0|2,0,1]=4 928 B11R1.16 CN(CCF)c1ccccc1 34a_100000210012_100011217306 [0,1,0,0,0,0|2,0,1]=4 929 B11R1.16 CN(CCO)c1ccccc1 2230a_100000210012_100000211926 [0,1,0,0,0,0|2,0,1]=4 930 B11R1.16 CN(CCO)c1ccccc1 2230a_100000211345_200000210301 [0,1,0,0,0,0|2,0,1]=4 931 B11R1.16 CN(CCO)c1ccccc1 269982a_100000210012_100000211926 [0,1,0,0,0,0|2,0,1]=4 932 B11R1.16 CN(CCO)c1ccccc1 269982a_100000211345_200000210301 [0,1,0,0,0,0|2,0,1]=4 933 B11R1.16 CN(CCO)c1ccccc1 34a_100000210012_100000211926 [0,1,0,0,0,0|2,0,1]=4 934 B11R1.16 CN(CCO)c1ccccc1 34a_100000211345_200000210301 [0,1,0,0,0,0|2,0,1]=4 935 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [0,1,0,0,0,0|2,0,1]=4 936 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [0,1,0,0,0,0|2,0,1]=4 937 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [0,1,0,0,0,0|2,0,1]=4 938 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [0,1,0,0,0,0|2,0,1]=4 939 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [0,1,0,0,0,0|2,0,1]=4 940 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [0,1,0,0,0,0|2,0,1]=4 941 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [0,1,0,0,0,0|2,0,1]=4 942 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [0,1,0,0,0,0|2,0,1]=4 943 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [0,1,0,0,0,0|2,0,1]=4 944 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [0,1,0,0,0,0|2,0,1]=4 945 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [0,1,0,0,0,0|2,0,1]=4 946 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [0,1,0,0,0,0|2,0,1]=4 947 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [0,1,0,0,0,0|2,0,1]=4 948 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [0,1,0,0,0,0|2,0,1]=4 949 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [0,1,0,0,0,0|2,0,1]=4 950 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [0,1,0,0,0,0|2,0,1]=4 951 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [0,1,0,0,0,0|2,0,1]=4 952 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [0,1,0,0,0,0|2,0,1]=4 953 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [0,1,0,0,0,0|2,0,1]=4 954 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [0,1,0,0,0,0|2,0,1]=4 955 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [0,1,0,0,0,0|2,0,1]=4 956 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [0,1,0,0,0,0|2,0,1]=4 957 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [0,1,0,0,0,0|2,0,1]=4 958 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [0,1,0,0,0,0|2,0,1]=4 959 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [0,1,0,0,0,0|2,0,1]=4 960 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [0,1,0,0,0,0|2,0,1]=4 961 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [0,1,0,0,0,0|2,0,1]=4 962 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [0,1,0,0,0,0|2,0,1]=4 963 B11R1.16 CSCN(C)c1ccccc1 2230a_100000210012_100011218213 [0,1,0,0,0,0|2,0,1]=4 964 B11R1.16 CSCN(C)c1ccccc1 269982a_100000210012_100011218213 [0,1,0,0,0,0|2,0,1]=4 965 B11R1.16 CSCN(C)c1ccccc1 34a_100000210012_100011218213 [0,1,0,0,0,0|2,0,1]=4 966 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [0,1,0,0,0,0|1,1,1]=4 967 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [0,1,0,0,0,0|2,0,1]=4 968 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [0,1,0,0,0,0|2,0,1]=4 969 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [0,1,0,0,0,0|2,0,1]=4 970 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [0,1,0,0,0,0|2,0,1]=4 971 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [0,1,0,0,0,0|2,0,1]=4 972 B11R1.16 [13CH3]N(CCO)c1ccccc1 2230a_100000211345_200025704644 [0,1,0,0,0,0|2,0,1]=4 973 B11R1.16 [13CH3]N(CCO)c1ccccc1 269982a_100000211345_200025704644 [0,1,0,0,0,0|2,0,1]=4 974 B11R1.16 [13CH3]N(CCO)c1ccccc1 34a_100000211345_200025704644 [0,1,0,0,0,0|2,0,1]=4 975 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [0,1,0,0,0,0|2,0,1]=4 976 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [0,1,0,0,0,0|2,0,1]=4 977 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [0,1,0,0,0,0|2,0,1]=4 978 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [0,1,0,0,0,0|2,0,1]=4 979 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [0,1,0,0,0,0|2,0,1]=4 980 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [0,1,0,0,0,0|2,0,1]=4 981 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [0,1,0,0,0,0|1,1,1]=4 982 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [0,1,0,0,0,0|2,0,1]=4 983 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [0,1,0,0,0,0|2,0,1]=4 984 B11R1.17 C#CCNc1ccccc1Br 34a_100000210017_100000184674 [0,1,0,0,0,0|1,0,2]=4 985 B11R1.17 C#CCNc1ccccc1C 34a_100015192222_100000184674 [0,1,0,0,0,0|1,0,2]=4 986 B11R1.17 C#CCNc1ccccc1Cl 34a_100000185783_100000184674 [0,1,0,0,0,0|1,0,2]=4 987 B11R1.17 C#CCNc1ccccc1F 34a_100000210422_100000184674 [0,1,0,0,0,0|1,0,2]=4 988 B11R1.17 C#CCNc1ccccc1I 34a_100000210053_100000184674 [0,1,0,0,0,0|1,0,2]=4 989 B11R1.17 C#CCNc1ccccc1O 34a_100000185747_100000184674 [0,1,0,0,0,0|1,0,2]=4 990 B11R1.17 C#CCOc1cccc[n+]1[O-] 7a_100000211761_100000038162 [0,1,0,0,0,0|1,0,2]=4 991 B11R1.17 C#CCOc1ccccc1Br 34a_100000181306_100000184674 [0,1,0,0,0,0|0,0,2]=3 992 B11R1.17 C#CCOc1ccccc1Br 7a_100000181306_100000038162 [0,1,0,0,0,0|0,0,2]=3 993 B11R1.17 C#CCOc1ccccc1C 34a_100000210338_100000184674 [0,1,0,0,0,0|0,0,2]=3 994 B11R1.17 C#CCOc1ccccc1C 7a_100000210338_100000038162 [0,1,0,0,0,0|0,0,2]=3 995 B11R1.17 C#CCOc1ccccc1Cl 34a_100000210172_100000184674 [0,1,0,0,0,0|0,0,2]=3 996 B11R1.17 C#CCOc1ccccc1Cl 7a_100000210172_100000038162 [0,1,0,0,0,0|0,0,2]=3 997 B11R1.17 C#CCOc1ccccc1F 34a_100000210171_100000184674 [0,1,0,0,0,0|0,0,2]=3 998 B11R1.17 C#CCOc1ccccc1F 7a_100000210171_100000038162 [0,1,0,0,0,0|0,0,2]=3 999 B11R1.17 C#CCOc1ccccc1I 34a_100000739446_100000184674 [0,1,0,0,0,0|0,0,2]=3 1000 B11R1.17 C#CCOc1ccccc1I 7a_100000739446_100000038162 [0,1,0,0,0,0|0,0,2]=3 1001 B11R1.17 C#CCOc1ccccc1N 34a_100000185747_100000184674 [0,1,0,0,0,0|0,0,2]=3 1002 B11R1.17 C#CCOc1ccccc1N 7a_100000185747_100000038162 [0,1,0,0,0,0|0,0,2]=3 1003 B11R1.17 C#CCOc1cccnc1Br 34a_100000744436_100000184674 [0,1,0,0,0,0|1,0,2]=4 1004 B11R1.17 C#CCOc1cccnc1Br 7a_100000744436_100000038162 [0,1,0,0,0,0|1,0,2]=4 1005 B11R1.17 C#CCOc1cccnc1C 34a_100000745507_100000184674 [0,1,0,0,0,0|1,0,2]=4 1006 B11R1.17 C#CCOc1cccnc1C 7a_100000745507_100000038162 [0,1,0,0,0,0|1,0,2]=4 1007 B11R1.17 C#CCOc1cccnc1Cl 34a_100000757616_100000184674 [0,1,0,0,0,0|1,0,2]=4 1008 B11R1.17 C#CCOc1cccnc1Cl 7a_100000757616_100000038162 [0,1,0,0,0,0|1,0,2]=4 1009 B11R1.17 C#CCOc1cccnc1F 34a_100000061740_100000184674 [0,1,0,0,0,0|1,0,2]=4 1010 B11R1.17 C#CCOc1cccnc1F 7a_100000061740_100000038162 [0,1,0,0,0,0|1,0,2]=4 1011 B11R1.17 C#CCOc1cccnc1I 34a_100000034122_100000184674 [0,1,0,0,0,0|1,0,2]=4 1012 B11R1.17 C#CCOc1cccnc1I 7a_100000034122_100000038162 [0,1,0,0,0,0|1,0,2]=4 1013 B11R1.17 C#CCOc1cccnc1N 34a_100000211975_100000184674 [0,1,0,0,0,0|1,0,2]=4 1014 B11R1.17 C#CCOc1cccnc1N 7a_100000211975_100000038162 [0,1,0,0,0,0|1,0,2]=4 1015 B11R1.17 C#CCOc1cccoc1=O 34a_100000077404_100000184674 [0,1,0,0,0,0|1,0,2]=4 1016 B11R1.17 C#CCOc1cccoc1=O 7a_100000077404_100000038162 [0,1,0,0,0,0|1,0,2]=4 1017 B11R1.17 C#CCOc1ccncc1Br 34a_100011996408_100000184674 [0,1,0,0,0,0|1,0,2]=4 1018 B11R1.17 C#CCOc1ccncc1C 34a_100000694293_100000184674 [0,1,0,0,0,0|1,0,2]=4 1019 B11R1.17 C#CCOc1ccncc1Cl 34a_100011997054_100000184674 [0,1,0,0,0,0|1,0,2]=4 1020 B11R1.17 C#CCOc1ccncc1F 34a_200000081243_100000184674 [0,1,0,0,0,0|1,0,2]=4 1021 B11R1.17 C#CCOc1cnccc1C 34a_100011997053_100000184674 [0,1,0,0,0,0|1,0,2]=4 1022 B11R1.17 C#CCOc1cnccc1C 7a_100011997053_100000038162 [0,1,0,0,0,0|1,0,2]=4 1023 B11R1.17 C#CCOc1cnccc1Cl 34a_100011996695_100000184674 [0,1,0,0,0,0|1,0,2]=4 1024 B11R1.17 C#CCOc1cnccc1I 34a_100000050107_100000184674 [0,1,0,0,0,0|1,0,2]=4 1025 B11R1.17 C#CCOc1cnccc1N 34a_100000753702_100000184674 [0,1,0,0,0,0|1,0,2]=4 1026 B11R1.17 C#CCOc1coccc1=O 34a_100000060831_100000184674 [0,1,0,0,0,0|1,0,2]=4 1027 B11R1.17 C#CCOc1ncccc1Cl 34a_100011290957_100000184674 [0,1,0,0,0,0|1,0,2]=4 1028 B11R1.17 C#CCOc1ncccc1F 34a_100011219419_100000184674 [0,1,0,0,0,0|1,0,2]=4 1029 B11R1.17 C#CCOc1ncccc1N 34a_100000746358_100000184674 [0,1,0,0,0,0|1,0,2]=4 1030 B11R1.17 C#CCSc1ccccc1Br 62a_100000038162_100000695589 [0,1,0,0,0,0|0,1,2]=4 1031 B11R1.17 C#CCSc1ccccc1C 62a_100000038162_100000210755 [0,1,0,0,0,0|0,1,2]=4 1032 B11R1.17 C#CCSc1ccccc1Cl 62a_100000038162_100000764095 [0,1,0,0,0,0|0,1,2]=4 1033 B11R1.17 C#CCSc1ccccc1F 62a_100000038162_100011215700 [0,1,0,0,0,0|0,1,2]=4 1034 B11R1.17 C#CCSc1ccccc1N 62a_100000038162_100000210017 [0,1,0,0,0,0|0,1,2]=4 1035 B11R1.17 C#CCSc1ccccc1O 62a_100000038162_100000739446 [0,1,0,0,0,0|0,1,2]=4 1036 B11R1.17 C=CCNc1ccccc1Br 34a_100000210017_100015514636 [0,1,0,0,0,0|1,0,0]=2 1037 B11R1.17 C=CCNc1ccccc1C 34a_100015192222_100015514636 [0,1,0,0,0,0|1,0,0]=2 1038 B11R1.17 C=CCNc1ccccc1Cl 34a_100000185783_100015514636 [0,1,0,0,0,0|1,0,0]=2 1039 B11R1.17 C=CCNc1ccccc1F 34a_100000210422_100015514636 [0,1,0,0,0,0|1,0,0]=2 1040 B11R1.17 C=CCNc1ccccc1I 34a_100000210053_100015514636 [0,1,0,0,0,0|1,0,0]=2 1041 B11R1.17 C=CCNc1ccccc1O 34a_100000185747_100015514636 [0,1,0,0,0,0|1,0,0]=2 1042 B11R1.17 C=CCNc1ccn[nH]c1=O 27a_100020586998_100000087129 [0,1,0,0,0,0|3,0,0]=4 1043 B11R1.17 C=CCNc1ccncc1Br 27a_100020586998_100000726257 [0,1,0,0,0,0|2,0,0]=3 1044 B11R1.17 C=CCNc1ccncc1C 27a_100020586998_100000765111 [0,1,0,0,0,0|2,0,0]=3 1045 B11R1.17 C=CCNc1ccncc1F 27a_100020586998_100000035921 [0,1,0,0,0,0|2,0,0]=3 1046 B11R1.17 C=CCNc1ncccc1Br 27a_100020586998_100000696092 [0,1,0,0,0,0|2,0,0]=3 1047 B11R1.17 C=CCNc1nccnc1C 27a_100020586998_100011999405 [0,1,0,0,0,0|3,0,0]=4 1048 B11R1.17 C=CCNc1nccnc1F 27a_100020586998_200010125657 [0,1,0,0,0,0|3,0,0]=4 1049 B11R1.17 C=CCNc1ncncc1C 27a_100020586998_100011998708 [0,1,0,0,0,0|3,0,0]=4 1050 B11R1.17 C=CCNc1ncncc1F 27a_100020586998_100000069762 [0,1,0,0,0,0|3,0,0]=4 1051 B11R1.17 C=CCNc1ncncc1N 27a_100020586998_100000709731 [0,1,0,0,0,0|3,0,0]=4 1052 B11R1.17 C=CCNc1nnccc1C 27a_100020586998_100000089043 [0,1,0,0,0,0|3,0,0]=4 1053 B11R1.17 C=CCOc1cccc[n+]1[O-] 7a_100000211761_100015514636 [0,1,0,0,0,0|1,0,0]=2 1054 B11R1.17 C=CCOc1ccccc1Br 34a_100000181306_100015514636 [0,1,0,0,0,0|0,0,0]=1 1055 B11R1.17 C=CCOc1ccccc1Br 7a_100000181306_100015514636 [0,1,0,0,0,0|0,0,0]=1 1056 B11R1.17 C=CCOc1ccccc1C 34a_100000210338_100015514636 [0,1,0,0,0,0|0,0,0]=1 1057 B11R1.17 C=CCOc1ccccc1C 7a_100000210338_100015514636 [0,1,0,0,0,0|0,0,0]=1 1058 B11R1.17 C=CCOc1ccccc1Cl 34a_100000210172_100015514636 [0,1,0,0,0,0|0,0,0]=1 1059 B11R1.17 C=CCOc1ccccc1Cl 7a_100000210172_100015514636 [0,1,0,0,0,0|0,0,0]=1 1060 B11R1.17 C=CCOc1ccccc1F 34a_100000210171_100015514636 [0,1,0,0,0,0|0,0,0]=1 1061 B11R1.17 C=CCOc1ccccc1F 7a_100000210171_100015514636 [0,1,0,0,0,0|0,0,0]=1 1062 B11R1.17 C=CCOc1ccccc1I 34a_100000739446_100015514636 [0,1,0,0,0,0|0,0,0]=1 1063 B11R1.17 C=CCOc1ccccc1I 7a_100000739446_100015514636 [0,1,0,0,0,0|0,0,0]=1 1064 B11R1.17 C=CCOc1ccccc1N 34a_100000185747_100015514636 [0,1,0,0,0,0|0,0,0]=1 1065 B11R1.17 C=CCOc1ccccc1N 7a_100000185747_100015514636 [0,1,0,0,0,0|0,0,0]=1 1066 B11R1.17 C=CCOc1cccnc1Br 34a_100000744436_100015514636 [0,1,0,0,0,0|1,0,0]=2 1067 B11R1.17 C=CCOc1cccnc1Br 7a_100000744436_100015514636 [0,1,0,0,0,0|1,0,0]=2 1068 B11R1.17 C=CCOc1cccnc1C 34a_100000745507_100015514636 [0,1,0,0,0,0|1,0,0]=2 1069 B11R1.17 C=CCOc1cccnc1C 7a_100000745507_100015514636 [0,1,0,0,0,0|1,0,0]=2 1070 B11R1.17 C=CCOc1cccnc1Cl 34a_100000757616_100015514636 [0,1,0,0,0,0|1,0,0]=2 1071 B11R1.17 C=CCOc1cccnc1Cl 7a_100000757616_100015514636 [0,1,0,0,0,0|1,0,0]=2 1072 B11R1.17 C=CCOc1cccnc1F 34a_100000061740_100015514636 [0,1,0,0,0,0|1,0,0]=2 1073 B11R1.17 C=CCOc1cccnc1F 7a_100000061740_100015514636 [0,1,0,0,0,0|1,0,0]=2 1074 B11R1.17 C=CCOc1cccnc1I 34a_100000034122_100015514636 [0,1,0,0,0,0|1,0,0]=2 1075 B11R1.17 C=CCOc1cccnc1I 7a_100000034122_100015514636 [0,1,0,0,0,0|1,0,0]=2 1076 B11R1.17 C=CCOc1cccnc1N 34a_100000211975_100015514636 [0,1,0,0,0,0|1,0,0]=2 1077 B11R1.17 C=CCOc1cccnc1N 7a_100000211975_100015514636 [0,1,0,0,0,0|1,0,0]=2 1078 B11R1.17 C=CCOc1cccoc1=O 34a_100000077404_100015514636 [0,1,0,0,0,0|1,0,0]=2 1079 B11R1.17 C=CCOc1cccoc1=O 7a_100000077404_100015514636 [0,1,0,0,0,0|1,0,0]=2 1080 B11R1.17 C=CCOc1ccncc1Br 34a_100011996408_100015514636 [0,1,0,0,0,0|1,0,0]=2 1081 B11R1.17 C=CCOc1ccncc1C 34a_100000694293_100015514636 [0,1,0,0,0,0|1,0,0]=2 1082 B11R1.17 C=CCOc1ccncc1Cl 34a_100011997054_100015514636 [0,1,0,0,0,0|1,0,0]=2 1083 B11R1.17 C=CCOc1ccncc1F 34a_200000081243_100015514636 [0,1,0,0,0,0|1,0,0]=2 1084 B11R1.17 C=CCOc1cnccc1C 34a_100011997053_100015514636 [0,1,0,0,0,0|1,0,0]=2 1085 B11R1.17 C=CCOc1cnccc1C 7a_100011997053_100015514636 [0,1,0,0,0,0|1,0,0]=2 1086 B11R1.17 C=CCOc1cnccc1Cl 34a_100011996695_100015514636 [0,1,0,0,0,0|1,0,0]=2 1087 B11R1.17 C=CCOc1cnccc1I 34a_100000050107_100015514636 [0,1,0,0,0,0|1,0,0]=2 1088 B11R1.17 C=CCOc1cnccc1N 34a_100000753702_100015514636 [0,1,0,0,0,0|1,0,0]=2 1089 B11R1.17 C=CCOc1cncnc1N 7a_100000112926_100015514636 [0,1,0,0,0,0|2,0,0]=3 1090 B11R1.17 C=CCOc1coccc1=O 34a_100000060831_100015514636 [0,1,0,0,0,0|1,0,0]=2 1091 B11R1.17 C=CCOc1ncccc1Cl 34a_100011290957_100015514636 [0,1,0,0,0,0|1,0,0]=2 1092 B11R1.17 C=CCOc1ncccc1F 34a_100011219419_100015514636 [0,1,0,0,0,0|1,0,0]=2 1093 B11R1.17 C=CCOc1ncccc1N 34a_100000746358_100015514636 [0,1,0,0,0,0|1,0,0]=2 1094 B11R1.17 C=CCOc1nccnc1C 34a_100000766352_100015514636 [0,1,0,0,0,0|2,0,0]=3 1095 B11R1.17 C=CCSc1c[nH]ccc1=O 62a_100000210623_100009998708 [0,1,0,0,0,0|1,1,0]=3 1096 B11R1.17 C=CCSc1c[nH]ccc1=O 62a_100009998708_100000210623 [0,1,0,0,0,0|1,1,0]=3 1097 B11R1.17 C=CCSc1c[nH]ccc1=S 62a_100000210623_200012280681 [0,1,0,0,0,0|1,1,0]=3 1098 B11R1.17 C=CCSc1c[nH]ccc1=S 62a_200012280681_100000210623 [0,1,0,0,0,0|1,1,0]=3 1099 B11R1.17 C=CCSc1cccc[n+]1C 62a_100000210623_100000212160 [0,1,0,0,0,0|1,1,0]=3 1100 B11R1.17 C=CCSc1cccc[n+]1[O-] 62a_100000210623_200000042595 [0,1,0,0,0,0|1,1,0]=3 1101 B11R1.17 C=CCSc1ccccc1Br 62a_100000210623_100000695589 [0,1,0,0,0,0|0,1,0]=2 1102 B11R1.17 C=CCSc1ccccc1Br 62a_100000695589_100000210623 [0,1,0,0,0,0|0,1,0]=2 1103 B11R1.17 C=CCSc1ccccc1C 62a_100000210623_100000210755 [0,1,0,0,0,0|0,1,0]=2 1104 B11R1.17 C=CCSc1ccccc1C 62a_100000210755_100000210623 [0,1,0,0,0,0|0,1,0]=2 1105 B11R1.17 C=CCSc1ccccc1Cl 62a_100000210623_100000764095 [0,1,0,0,0,0|0,1,0]=2 1106 B11R1.17 C=CCSc1ccccc1Cl 62a_100000764095_100000210623 [0,1,0,0,0,0|0,1,0]=2 1107 B11R1.17 C=CCSc1ccccc1F 62a_100000210623_100011215700 [0,1,0,0,0,0|0,1,0]=2 1108 B11R1.17 C=CCSc1ccccc1F 62a_100011215700_100000210623 [0,1,0,0,0,0|0,1,0]=2 1109 B11R1.17 C=CCSc1ccccc1N 62a_100000210017_100000210623 [0,1,0,0,0,0|0,1,0]=2 1110 B11R1.17 C=CCSc1ccccc1N 62a_100000210623_100000210017 [0,1,0,0,0,0|0,1,0]=2 1111 B11R1.17 C=CCSc1ccccc1O 62a_100000210623_100000739446 [0,1,0,0,0,0|0,1,0]=2 1112 B11R1.17 C=CCSc1ccccc1O 62a_100000739446_100000210623 [0,1,0,0,0,0|0,1,0]=2 1113 B11R1.17 C=CCSc1cccnc1Br 62a_100000210623_100010202626 [0,1,0,0,0,0|1,1,0]=3 1114 B11R1.17 C=CCSc1cccnc1Br 62a_100010202626_100000210623 [0,1,0,0,0,0|1,1,0]=3 1115 B11R1.17 C=CCSc1cccnc1C 62a_100000210623_100000751574 [0,1,0,0,0,0|1,1,0]=3 1116 B11R1.17 C=CCSc1cccnc1C 62a_100000751574_100000210623 [0,1,0,0,0,0|1,1,0]=3 1117 B11R1.17 C=CCSc1cccnc1Cl 62a_100000036424_100000210623 [0,1,0,0,0,0|1,1,0]=3 1118 B11R1.17 C=CCSc1cccnc1Cl 62a_100000210623_100000036424 [0,1,0,0,0,0|1,1,0]=3 1119 B11R1.17 C=CCSc1cccnc1F 62a_100000210623_100009816115 [0,1,0,0,0,0|1,1,0]=3 1120 B11R1.17 C=CCSc1cccnc1F 62a_100009816115_100000210623 [0,1,0,0,0,0|1,1,0]=3 1121 B11R1.17 C=CCSc1cccnc1N 62a_100000045569_100000210623 [0,1,0,0,0,0|1,1,0]=3 1122 B11R1.17 C=CCSc1cccnc1N 62a_100000210623_100000045569 [0,1,0,0,0,0|1,1,0]=3 1123 B11R1.17 C=CCSc1cccnc1O 62a_100000210623_100000760158 [0,1,0,0,0,0|1,1,0]=3 1124 B11R1.17 C=CCSc1cccnc1O 62a_100000760158_100000210623 [0,1,0,0,0,0|1,1,0]=3 1125 B11R1.17 C=CCSc1ccn[nH]c1=O 62a_100000210623_100000087129 [0,1,0,0,0,0|2,1,0]=4 1126 B11R1.17 C=CCSc1ccncc1Br 62a_100000210623_100000726257 [0,1,0,0,0,0|1,1,0]=3 1127 B11R1.17 C=CCSc1ccncc1Br 62a_100000726257_100000210623 [0,1,0,0,0,0|1,1,0]=3 1128 B11R1.17 C=CCSc1ccncc1C 62a_100000210623_100000765111 [0,1,0,0,0,0|1,1,0]=3 1129 B11R1.17 C=CCSc1ccncc1C 62a_100000765111_100000210623 [0,1,0,0,0,0|1,1,0]=3 1130 B11R1.17 C=CCSc1ccncc1Cl 62a_100000210623_100000708259 [0,1,0,0,0,0|1,1,0]=3 1131 B11R1.17 C=CCSc1ccncc1Cl 62a_100000708259_100000210623 [0,1,0,0,0,0|1,1,0]=3 1132 B11R1.17 C=CCSc1ccncc1F 62a_100000047030_100000210623 [0,1,0,0,0,0|1,1,0]=3 1133 B11R1.17 C=CCSc1ccncc1F 62a_100000210623_100000047030 [0,1,0,0,0,0|1,1,0]=3 1134 B11R1.17 C=CCSc1ccncc1N 62a_100000210623_100000756074 [0,1,0,0,0,0|1,1,0]=3 1135 B11R1.17 C=CCSc1ccncc1N 62a_100000756074_100000210623 [0,1,0,0,0,0|1,1,0]=3 1136 B11R1.17 C=CCSc1ccncc1O 62a_100000210623_100009817591 [0,1,0,0,0,0|1,1,0]=3 1137 B11R1.17 C=CCSc1ccncc1O 62a_100009817591_100000210623 [0,1,0,0,0,0|1,1,0]=3 1138 B11R1.17 C=CCSc1cnccc1Br 62a_100000210623_100010138639 [0,1,0,0,0,0|1,1,0]=3 1139 B11R1.17 C=CCSc1cnccc1Br 62a_100010138639_100000210623 [0,1,0,0,0,0|1,1,0]=3 1140 B11R1.17 C=CCSc1cnccc1C 62a_100000210623_100000761580 [0,1,0,0,0,0|1,1,0]=3 1141 B11R1.17 C=CCSc1cnccc1C 62a_100000761580_100000210623 [0,1,0,0,0,0|1,1,0]=3 1142 B11R1.17 C=CCSc1cnccc1Cl 62a_100000210623_100009995489 [0,1,0,0,0,0|1,1,0]=3 1143 B11R1.17 C=CCSc1cnccc1Cl 62a_100009995489_100000210623 [0,1,0,0,0,0|1,1,0]=3 1144 B11R1.17 C=CCSc1cnccc1F 62a_100000210623_100009820683 [0,1,0,0,0,0|1,1,0]=3 1145 B11R1.17 C=CCSc1cnccc1F 62a_100009820683_100000210623 [0,1,0,0,0,0|1,1,0]=3 1146 B11R1.17 C=CCSc1cnccc1N 62a_100000047001_100000210623 [0,1,0,0,0,0|1,1,0]=3 1147 B11R1.17 C=CCSc1cnccc1N 62a_100000210623_100000047001 [0,1,0,0,0,0|1,1,0]=3 1148 B11R1.17 C=CCSc1cncnc1Br 62a_100000210623_200012461658 [0,1,0,0,0,0|2,1,0]=4 1149 B11R1.17 C=CCSc1cncnc1Br 62a_200012461658_100000210623 [0,1,0,0,0,0|2,1,0]=4 1150 B11R1.17 C=CCSc1cncnc1C 62a_100000210623_100009819671 [0,1,0,0,0,0|2,1,0]=4 1151 B11R1.17 C=CCSc1cncnc1C 62a_100009819671_100000210623 [0,1,0,0,0,0|2,1,0]=4 1152 B11R1.17 C=CCSc1cncnc1Cl 62a_100000210623_100000758962 [0,1,0,0,0,0|2,1,0]=4 1153 B11R1.17 C=CCSc1cncnc1Cl 62a_100000758962_100000210623 [0,1,0,0,0,0|2,1,0]=4 1154 B11R1.17 C=CCSc1cncnc1N 62a_100000210623_100011996079 [0,1,0,0,0,0|2,1,0]=4 1155 B11R1.17 C=CCSc1cncnc1N 62a_100011996079_100000210623 [0,1,0,0,0,0|2,1,0]=4 1156 B11R1.17 C=CCSc1cncnc1O 62a_100000210623_100000751107 [0,1,0,0,0,0|2,1,0]=4 1157 B11R1.17 C=CCSc1cncnc1O 62a_100000751107_100000210623 [0,1,0,0,0,0|2,1,0]=4 1158 B11R1.17 C=CCSc1cnncc1N 62a_100000210623_100009829405 [0,1,0,0,0,0|2,1,0]=4 1159 B11R1.17 C=CCSc1cnncc1N 62a_100009829405_100000210623 [0,1,0,0,0,0|2,1,0]=4 1160 B11R1.17 C=CCSc1ncc[nH]c1=O 62a_100000210623_100000763361 [0,1,0,0,0,0|2,1,0]=4 1161 B11R1.17 C=CCSc1ncccc1Br 62a_100000210623_100000696092 [0,1,0,0,0,0|1,1,0]=3 1162 B11R1.17 C=CCSc1ncccc1Br 62a_100000696092_100000210623 [0,1,0,0,0,0|1,1,0]=3 1163 B11R1.17 C=CCSc1ncccc1C 62a_100000210623_100000751373 [0,1,0,0,0,0|1,1,0]=3 1164 B11R1.17 C=CCSc1ncccc1C 62a_100000751373_100000210623 [0,1,0,0,0,0|1,1,0]=3 1165 B11R1.17 C=CCSc1ncccc1Cl 62a_100000210623_100011356963 [0,1,0,0,0,0|1,1,0]=3 1166 B11R1.17 C=CCSc1ncccc1Cl 62a_100011356963_100000210623 [0,1,0,0,0,0|1,1,0]=3 1167 B11R1.17 C=CCSc1ncccc1F 62a_100000210623_100000685392 [0,1,0,0,0,0|1,1,0]=3 1168 B11R1.17 C=CCSc1ncccc1F 62a_100000685392_100000210623 [0,1,0,0,0,0|1,1,0]=3 1169 B11R1.17 C=CCSc1ncccc1N 62a_100000210623_100000688686 [0,1,0,0,0,0|1,1,0]=3 1170 B11R1.17 C=CCSc1ncccc1N 62a_100000688686_100000210623 [0,1,0,0,0,0|1,1,0]=3 1171 B11R1.17 C=CCSc1ncccc1O 62a_100000034122_100000210623 [0,1,0,0,0,0|1,1,0]=3 1172 B11R1.17 C=CCSc1ncccc1O 62a_100000210623_100000034122 [0,1,0,0,0,0|1,1,0]=3 1173 B11R1.17 C=CCSc1nccnc1C 62a_100000210623_100011999405 [0,1,0,0,0,0|2,1,0]=4 1174 B11R1.17 C=CCSc1nccnc1C 62a_100011999405_100000210623 [0,1,0,0,0,0|2,1,0]=4 1175 B11R1.17 C=CCSc1nccnc1Cl 62a_100000210623_100010886584 [0,1,0,0,0,0|2,1,0]=4 1176 B11R1.17 C=CCSc1nccnc1Cl 62a_100010886584_100000210623 [0,1,0,0,0,0|2,1,0]=4 1177 B11R1.17 C=CCSc1nccnc1F 62a_100000210623_200010125657 [0,1,0,0,0,0|2,1,0]=4 1178 B11R1.17 C=CCSc1nccnc1F 62a_200010125657_100000210623 [0,1,0,0,0,0|2,1,0]=4 1179 B11R1.17 C=CCSc1nccnc1N 62a_100000210623_100000747729 [0,1,0,0,0,0|2,1,0]=4 1180 B11R1.17 C=CCSc1nccnc1N 62a_100000747729_100000210623 [0,1,0,0,0,0|2,1,0]=4 1181 B11R1.17 C=CCSc1ncncc1C 62a_100000210623_100011998708 [0,1,0,0,0,0|2,1,0]=4 1182 B11R1.17 C=CCSc1ncncc1C 62a_100011998708_100000210623 [0,1,0,0,0,0|2,1,0]=4 1183 B11R1.17 C=CCSc1ncncc1F 62a_100000069762_100000210623 [0,1,0,0,0,0|2,1,0]=4 1184 B11R1.17 C=CCSc1ncncc1F 62a_100000210623_100000069762 [0,1,0,0,0,0|2,1,0]=4 1185 B11R1.17 C=CCSc1ncncc1N 62a_100000210623_100000709731 [0,1,0,0,0,0|2,1,0]=4 1186 B11R1.17 C=CCSc1ncncc1N 62a_100000709731_100000210623 [0,1,0,0,0,0|2,1,0]=4 1187 B11R1.17 C=CCSc1nnccc1C 62a_100000210623_100000089043 [0,1,0,0,0,0|2,1,0]=4 1188 B11R1.17 CC=NNc1ccccc1Br 4a_100000241748_200000210099 [0,1,0,0,0,0|2,0,1]=4 1189 B11R1.17 CC=NNc1ccccc1C 4a_100000184220_200000210099 [0,1,0,0,0,0|2,0,1]=4 1190 B11R1.17 CC=NNc1ccccc1Cl 4a_100000683529_200000210099 [0,1,0,0,0,0|2,0,1]=4 1191 B11R1.17 CC=NNc1ccccc1F 4a_100000239246_200000210099 [0,1,0,0,0,0|2,0,1]=4 1192 B11R1.17 CC=NNc1ccccc1I 4a_100011218156_200000210099 [0,1,0,0,0,0|2,0,1]=4 1193 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [0,1,0,0,0,0|1,0,2]=4 1194 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [0,1,0,0,0,0|1,0,2]=4 1195 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [0,1,0,0,0,0|1,0,2]=4 1196 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [0,1,0,0,0,0|1,0,2]=4 1197 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [0,1,0,0,0,0|1,0,2]=4 1198 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [0,1,0,0,0,0|1,0,2]=4 1199 B11R1.17 CCCNc1ccccc1Br 34a_100000210017_100000210303 [0,1,0,0,0,0|1,0,2]=4 1200 B11R1.17 CCCNc1ccccc1C 34a_100015192222_100000210303 [0,1,0,0,0,0|1,0,2]=4 1201 B11R1.17 CCCNc1ccccc1Cl 34a_100000185783_100000210303 [0,1,0,0,0,0|1,0,2]=4 1202 B11R1.17 CCCNc1ccccc1F 34a_100000210422_100000210303 [0,1,0,0,0,0|1,0,2]=4 1203 B11R1.17 CCCNc1ccccc1I 34a_100000210053_100000210303 [0,1,0,0,0,0|1,0,2]=4 1204 B11R1.17 CCCNc1ccccc1O 34a_100000185747_100000210303 [0,1,0,0,0,0|1,0,2]=4 1205 B11R1.17 CCCOc1cccc[n+]1[O-] 7a_100000211761_100000210303 [0,1,0,0,0,0|1,0,2]=4 1206 B11R1.17 CCCOc1ccccc1Br 34a_100000181306_100000210303 [0,1,0,0,0,0|0,0,2]=3 1207 B11R1.17 CCCOc1ccccc1Br 7a_100000181306_100000210303 [0,1,0,0,0,0|0,0,2]=3 1208 B11R1.17 CCCOc1ccccc1C 34a_100000210338_100000210303 [0,1,0,0,0,0|0,0,2]=3 1209 B11R1.17 CCCOc1ccccc1C 7a_100000210338_100000210303 [0,1,0,0,0,0|0,0,2]=3 1210 B11R1.17 CCCOc1ccccc1Cl 34a_100000210172_100000210303 [0,1,0,0,0,0|0,0,2]=3 1211 B11R1.17 CCCOc1ccccc1Cl 7a_100000210172_100000210303 [0,1,0,0,0,0|0,0,2]=3 1212 B11R1.17 CCCOc1ccccc1F 34a_100000210171_100000210303 [0,1,0,0,0,0|0,0,2]=3 1213 B11R1.17 CCCOc1ccccc1F 7a_100000210171_100000210303 [0,1,0,0,0,0|0,0,2]=3 1214 B11R1.17 CCCOc1ccccc1I 34a_100000739446_100000210303 [0,1,0,0,0,0|0,0,2]=3 1215 B11R1.17 CCCOc1ccccc1I 7a_100000739446_100000210303 [0,1,0,0,0,0|0,0,2]=3 1216 B11R1.17 CCCOc1ccccc1N 34a_100000185747_100000210303 [0,1,0,0,0,0|0,0,2]=3 1217 B11R1.17 CCCOc1ccccc1N 7a_100000185747_100000210303 [0,1,0,0,0,0|0,0,2]=3 1218 B11R1.17 CCCOc1ccccc1O 271570a_203496583355_100000174042 [0,1,0,0,0,0|0,0,2]=3 1219 B11R1.17 CCCOc1cccnc1Br 34a_100000744436_100000210303 [0,1,0,0,0,0|1,0,2]=4 1220 B11R1.17 CCCOc1cccnc1Br 7a_100000744436_100000210303 [0,1,0,0,0,0|1,0,2]=4 1221 B11R1.17 CCCOc1cccnc1C 34a_100000745507_100000210303 [0,1,0,0,0,0|1,0,2]=4 1222 B11R1.17 CCCOc1cccnc1C 7a_100000745507_100000210303 [0,1,0,0,0,0|1,0,2]=4 1223 B11R1.17 CCCOc1cccnc1Cl 34a_100000757616_100000210303 [0,1,0,0,0,0|1,0,2]=4 1224 B11R1.17 CCCOc1cccnc1Cl 7a_100000757616_100000210303 [0,1,0,0,0,0|1,0,2]=4 1225 B11R1.17 CCCOc1cccnc1F 34a_100000061740_100000210303 [0,1,0,0,0,0|1,0,2]=4 1226 B11R1.17 CCCOc1cccnc1F 7a_100000061740_100000210303 [0,1,0,0,0,0|1,0,2]=4 1227 B11R1.17 CCCOc1cccnc1I 34a_100000034122_100000210303 [0,1,0,0,0,0|1,0,2]=4 1228 B11R1.17 CCCOc1cccnc1I 7a_100000034122_100000210303 [0,1,0,0,0,0|1,0,2]=4 1229 B11R1.17 CCCOc1cccnc1N 34a_100000211975_100000210303 [0,1,0,0,0,0|1,0,2]=4 1230 B11R1.17 CCCOc1cccnc1N 7a_100000211975_100000210303 [0,1,0,0,0,0|1,0,2]=4 1231 B11R1.17 CCCOc1cccoc1=O 34a_100000077404_100000210303 [0,1,0,0,0,0|1,0,2]=4 1232 B11R1.17 CCCOc1cccoc1=O 7a_100000077404_100000210303 [0,1,0,0,0,0|1,0,2]=4 1233 B11R1.17 CCCOc1ccncc1Br 34a_100011996408_100000210303 [0,1,0,0,0,0|1,0,2]=4 1234 B11R1.17 CCCOc1ccncc1C 34a_100000694293_100000210303 [0,1,0,0,0,0|1,0,2]=4 1235 B11R1.17 CCCOc1ccncc1Cl 34a_100011997054_100000210303 [0,1,0,0,0,0|1,0,2]=4 1236 B11R1.17 CCCOc1ccncc1F 34a_200000081243_100000210303 [0,1,0,0,0,0|1,0,2]=4 1237 B11R1.17 CCCOc1cnccc1C 34a_100011997053_100000210303 [0,1,0,0,0,0|1,0,2]=4 1238 B11R1.17 CCCOc1cnccc1C 7a_100011997053_100000210303 [0,1,0,0,0,0|1,0,2]=4 1239 B11R1.17 CCCOc1cnccc1Cl 34a_100011996695_100000210303 [0,1,0,0,0,0|1,0,2]=4 1240 B11R1.17 CCCOc1cnccc1I 34a_100000050107_100000210303 [0,1,0,0,0,0|1,0,2]=4 1241 B11R1.17 CCCOc1cnccc1N 34a_100000753702_100000210303 [0,1,0,0,0,0|1,0,2]=4 1242 B11R1.17 CCCOc1coccc1=O 34a_100000060831_100000210303 [0,1,0,0,0,0|1,0,2]=4 1243 B11R1.17 CCCOc1ncccc1Cl 34a_100011290957_100000210303 [0,1,0,0,0,0|1,0,2]=4 1244 B11R1.17 CCCOc1ncccc1F 34a_100011219419_100000210303 [0,1,0,0,0,0|1,0,2]=4 1245 B11R1.17 CCCOc1ncccc1N 34a_100000746358_100000210303 [0,1,0,0,0,0|1,0,2]=4 1246 B11R1.17 CCCOc1ncccc1O 271570a_203496583355_200011465209 [0,1,0,0,0,0|1,0,2]=4 1247 B11R1.17 CCCSc1ccccc1Br 62a_100000210303_100000695589 [0,1,0,0,0,0|0,1,2]=4 1248 B11R1.17 CCCSc1ccccc1Br 62a_100000695589_100000210303 [0,1,0,0,0,0|0,1,2]=4 1249 B11R1.17 CCCSc1ccccc1C 62a_100000210303_100000210755 [0,1,0,0,0,0|0,1,2]=4 1250 B11R1.17 CCCSc1ccccc1C 62a_100000210755_100000210303 [0,1,0,0,0,0|0,1,2]=4 1251 B11R1.17 CCCSc1ccccc1Cl 62a_100000210303_100000764095 [0,1,0,0,0,0|0,1,2]=4 1252 B11R1.17 CCCSc1ccccc1Cl 62a_100000764095_100000210303 [0,1,0,0,0,0|0,1,2]=4 1253 B11R1.17 CCCSc1ccccc1F 62a_100000210303_100011215700 [0,1,0,0,0,0|0,1,2]=4 1254 B11R1.17 CCCSc1ccccc1F 62a_100011215700_100000210303 [0,1,0,0,0,0|0,1,2]=4 1255 B11R1.17 CCCSc1ccccc1N 62a_100000210017_100000210303 [0,1,0,0,0,0|0,1,2]=4 1256 B11R1.17 CCCSc1ccccc1N 62a_100000210303_100000210017 [0,1,0,0,0,0|0,1,2]=4 1257 B11R1.17 CCCSc1ccccc1O 62a_100000210303_100000739446 [0,1,0,0,0,0|0,1,2]=4 1258 B11R1.17 CCCSc1ccccc1O 62a_100000739446_100000210303 [0,1,0,0,0,0|0,1,2]=4 1259 B11R1.17 CNCCc1ccccc1Br 2230a_100000747383_200000210301 [0,1,0,0,0,0|2,0,1]=4 1260 B11R1.17 CNCCc1ccccc1Br 2230a_106832991635_100012161201 [0,1,0,0,0,0|2,0,1]=4 1261 B11R1.17 CNCCc1ccccc1Br 34a_100000747383_200000210301 [0,1,0,0,0,0|2,0,1]=4 1262 B11R1.17 CNCCc1ccccc1Br 34a_100102657272_100012161201 [0,1,0,0,0,0|2,0,1]=4 1263 B11R1.17 CNCCc1ccccc1Br 7a_106832991635_100012161201 [0,1,0,0,0,0|2,0,1]=4 1264 B11R1.17 CNCCc1ccccc1C 2230a_100000685071_200000210301 [0,1,0,0,0,0|2,0,1]=4 1265 B11R1.17 CNCCc1ccccc1C 2230a_106832991635_100011713688 [0,1,0,0,0,0|2,0,1]=4 1266 B11R1.17 CNCCc1ccccc1C 34a_100000685071_200000210301 [0,1,0,0,0,0|2,0,1]=4 1267 B11R1.17 CNCCc1ccccc1C 34a_100102657272_100011713688 [0,1,0,0,0,0|2,0,1]=4 1268 B11R1.17 CNCCc1ccccc1C 7a_106832991635_100011713688 [0,1,0,0,0,0|2,0,1]=4 1269 B11R1.17 CNCCc1ccccc1Cl 2230a_100011207228_200000210301 [0,1,0,0,0,0|2,0,1]=4 1270 B11R1.17 CNCCc1ccccc1Cl 2230a_106832991635_100011713703 [0,1,0,0,0,0|2,0,1]=4 1271 B11R1.17 CNCCc1ccccc1Cl 270004a_106832991635_200011713468 [0,1,0,0,0,0|2,0,1]=4 1272 B11R1.17 CNCCc1ccccc1Cl 34a_100011207228_200000210301 [0,1,0,0,0,0|2,0,1]=4 1273 B11R1.17 CNCCc1ccccc1Cl 34a_100102657272_100011713703 [0,1,0,0,0,0|2,0,1]=4 1274 B11R1.17 CNCCc1ccccc1Cl 7a_106832991635_100011713703 [0,1,0,0,0,0|2,0,1]=4 1275 B11R1.17 CNCCc1ccccc1F 2230a_100000185272_200000210301 [0,1,0,0,0,0|2,0,1]=4 1276 B11R1.17 CNCCc1ccccc1F 2230a_106832991635_100011713696 [0,1,0,0,0,0|2,0,1]=4 1277 B11R1.17 CNCCc1ccccc1F 34a_100000185272_200000210301 [0,1,0,0,0,0|2,0,1]=4 1278 B11R1.17 CNCCc1ccccc1F 34a_100102657272_100000720011 [0,1,0,0,0,0|2,0,1]=4 1279 B11R1.17 CNCCc1ccccc1F 7a_106832991635_100000720011 [0,1,0,0,0,0|2,0,1]=4 1280 B11R1.17 CNCCc1ccccc1O 34a_100011207237_200000210301 [0,1,0,0,0,0|2,0,1]=4 1281 B11R1.17 CNCCc1ccccc1O 34a_100102657272_100000722297 [0,1,0,0,0,0|2,0,1]=4 1282 B11R1.17 CNCCc1ccccc1O 7a_106832991635_100000722297 [0,1,0,0,0,0|2,0,1]=4 1283 B11R1.17 COCCc1ccccc1Br 34a_100000731337_200000210301 [0,1,0,0,0,0|2,0,1]=4 1284 B11R1.17 COCCc1ccccc1Br 34a_100138415774_100012161201 [0,1,0,0,0,0|2,0,1]=4 1285 B11R1.17 COCCc1ccccc1Br 7a_100000731337_200000210301 [0,1,0,0,0,0|2,0,1]=4 1286 B11R1.17 COCCc1ccccc1C 34a_100011220023_200000210301 [0,1,0,0,0,0|2,0,1]=4 1287 B11R1.17 COCCc1ccccc1C 34a_100138415774_100011713688 [0,1,0,0,0,0|2,0,1]=4 1288 B11R1.17 COCCc1ccccc1C 7a_100011220023_200000210301 [0,1,0,0,0,0|2,0,1]=4 1289 B11R1.17 COCCc1ccccc1Cl 34a_100011215284_200000210301 [0,1,0,0,0,0|2,0,1]=4 1290 B11R1.17 COCCc1ccccc1Cl 34a_100138415774_100011713703 [0,1,0,0,0,0|2,0,1]=4 1291 B11R1.17 COCCc1ccccc1Cl 7a_100011215284_200000210301 [0,1,0,0,0,0|2,0,1]=4 1292 B11R1.17 COCCc1ccccc1F 34a_100000753711_200000210301 [0,1,0,0,0,0|2,0,1]=4 1293 B11R1.17 COCCc1ccccc1F 34a_100138415774_100000720011 [0,1,0,0,0,0|2,0,1]=4 1294 B11R1.17 COCCc1ccccc1F 7a_100000753711_200000210301 [0,1,0,0,0,0|2,0,1]=4 1295 B11R1.17 COCCc1ccccc1I 34a_100010255290_200000210301 [0,1,0,0,0,0|2,0,1]=4 1296 B11R1.17 COCCc1ccccc1I 7a_100010255290_200000210301 [0,1,0,0,0,0|2,0,1]=4 1297 B11R1.17 COCCc1ccccc1N 34a_100011215289_200000210301 [0,1,0,0,0,0|2,0,1]=4 1298 B11R1.17 COCCc1ccccc1O 34a_100138415774_100000722297 [0,1,0,0,0,0|2,0,1]=4 1299 B11R1.17 COCOc1ccccc1O 271570a_203496583355_200000230759 [0,1,0,0,0,0|1,0,1]=3 1300 B11R1.17 COCOc1cccnc1O 271570a_203496583355_100011935308 [0,1,0,0,0,0|2,0,1]=4 1301 B11R1.17 COCSc1ccccc1Br 62a_100000695589_100000766300 [0,1,0,0,0,0|1,1,1]=4 1302 B11R1.17 COCSc1ccccc1Br 62a_100000766300_100000695589 [0,1,0,0,0,0|1,1,1]=4 1303 B11R1.17 COCSc1ccccc1C 62a_100000210755_100000766300 [0,1,0,0,0,0|1,1,1]=4 1304 B11R1.17 COCSc1ccccc1C 62a_100000766300_100000210755 [0,1,0,0,0,0|1,1,1]=4 1305 B11R1.17 COCSc1ccccc1Cl 62a_100000764095_100000766300 [0,1,0,0,0,0|1,1,1]=4 1306 B11R1.17 COCSc1ccccc1Cl 62a_100000766300_100000764095 [0,1,0,0,0,0|1,1,1]=4 1307 B11R1.17 COCSc1ccccc1F 62a_100000766300_100011215700 [0,1,0,0,0,0|1,1,1]=4 1308 B11R1.17 COCSc1ccccc1F 62a_100011215700_100000766300 [0,1,0,0,0,0|1,1,1]=4 1309 B11R1.17 COCSc1ccccc1N 62a_100000210017_100000766300 [0,1,0,0,0,0|1,1,1]=4 1310 B11R1.17 COCSc1ccccc1N 62a_100000766300_100000210017 [0,1,0,0,0,0|1,1,1]=4 1311 B11R1.17 COCSc1ccccc1O 62a_100000739446_100000766300 [0,1,0,0,0,0|1,1,1]=4 1312 B11R1.17 COCSc1ccccc1O 62a_100000766300_100000739446 [0,1,0,0,0,0|1,1,1]=4 1313 B11R1.17 CSCCc1ccccc1Br 62a_100012161201_200000210301 [0,1,0,0,0,0|2,0,1]=4 1314 B11R1.17 CSCCc1ccccc1Br 62a_200000210301_100012161201 [0,1,0,0,0,0|2,0,1]=4 1315 B11R1.17 CSCCc1ccccc1C 62a_100011713688_200000210301 [0,1,0,0,0,0|2,0,1]=4 1316 B11R1.17 CSCCc1ccccc1C 62a_200000210301_100011713688 [0,1,0,0,0,0|2,0,1]=4 1317 B11R1.17 CSCCc1ccccc1Cl 62a_100011713703_200000210301 [0,1,0,0,0,0|2,0,1]=4 1318 B11R1.17 CSCCc1ccccc1Cl 62a_200000210301_100011713703 [0,1,0,0,0,0|2,0,1]=4 1319 B11R1.17 CSCCc1ccccc1F 62a_100011713696_200000210301 [0,1,0,0,0,0|2,0,1]=4 1320 B11R1.17 CSCCc1ccccc1F 62a_200000210301_100011713696 [0,1,0,0,0,0|2,0,1]=4 1321 B11R1.17 CSCCc1ccccc1O 62a_100000722297_200000210301 [0,1,0,0,0,0|2,0,1]=4 1322 B11R1.17 CSCCc1ccccc1O 62a_200000210301_100000722297 [0,1,0,0,0,0|2,0,1]=4 1323 B11R1.17 CSCNc1ccccc1Br 34a_100000210017_100011218213 [0,1,0,0,0,0|2,0,1]=4 1324 B11R1.17 CSCNc1ccccc1C 34a_100015192222_100011218213 [0,1,0,0,0,0|2,0,1]=4 1325 B11R1.17 CSCNc1ccccc1Cl 34a_100000185783_100011218213 [0,1,0,0,0,0|2,0,1]=4 1326 B11R1.17 CSCNc1ccccc1F 34a_100000210422_100011218213 [0,1,0,0,0,0|2,0,1]=4 1327 B11R1.17 CSCNc1ccccc1I 34a_100000210053_100011218213 [0,1,0,0,0,0|2,0,1]=4 1328 B11R1.17 CSCNc1ccccc1O 34a_100000185747_100011218213 [0,1,0,0,0,0|2,0,1]=4 1329 B11R1.17 CSCOc1ccccc1Br 34a_100000181306_100011218213 [0,1,0,0,0,0|1,0,1]=3 1330 B11R1.17 CSCOc1ccccc1C 34a_100000210338_100011218213 [0,1,0,0,0,0|1,0,1]=3 1331 B11R1.17 CSCOc1ccccc1Cl 34a_100000210172_100011218213 [0,1,0,0,0,0|1,0,1]=3 1332 B11R1.17 CSCOc1ccccc1F 34a_100000210171_100011218213 [0,1,0,0,0,0|1,0,1]=3 1333 B11R1.17 CSCOc1ccccc1I 34a_100000739446_100011218213 [0,1,0,0,0,0|1,0,1]=3 1334 B11R1.17 CSCOc1ccccc1N 34a_100000185747_100011218213 [0,1,0,0,0,0|1,0,1]=3 1335 B11R1.17 CSCOc1cccnc1Br 34a_100000744436_100011218213 [0,1,0,0,0,0|2,0,1]=4 1336 B11R1.17 CSCOc1cccnc1C 34a_100000745507_100011218213 [0,1,0,0,0,0|2,0,1]=4 1337 B11R1.17 CSCOc1cccnc1Cl 34a_100000757616_100011218213 [0,1,0,0,0,0|2,0,1]=4 1338 B11R1.17 CSCOc1cccnc1F 34a_100000061740_100011218213 [0,1,0,0,0,0|2,0,1]=4 1339 B11R1.17 CSCOc1cccnc1I 34a_100000034122_100011218213 [0,1,0,0,0,0|2,0,1]=4 1340 B11R1.17 CSCOc1cccnc1N 34a_100000211975_100011218213 [0,1,0,0,0,0|2,0,1]=4 1341 B11R1.17 CSCOc1cccoc1=O 34a_100000077404_100011218213 [0,1,0,0,0,0|2,0,1]=4 1342 B11R1.17 CSCOc1ccncc1Br 34a_100011996408_100011218213 [0,1,0,0,0,0|2,0,1]=4 1343 B11R1.17 CSCOc1ccncc1C 34a_100000694293_100011218213 [0,1,0,0,0,0|2,0,1]=4 1344 B11R1.17 CSCOc1ccncc1Cl 34a_100011997054_100011218213 [0,1,0,0,0,0|2,0,1]=4 1345 B11R1.17 CSCOc1ccncc1F 34a_200000081243_100011218213 [0,1,0,0,0,0|2,0,1]=4 1346 B11R1.17 CSCOc1cnccc1C 34a_100011997053_100011218213 [0,1,0,0,0,0|2,0,1]=4 1347 B11R1.17 CSCOc1cnccc1Cl 34a_100011996695_100011218213 [0,1,0,0,0,0|2,0,1]=4 1348 B11R1.17 CSCOc1cnccc1I 34a_100000050107_100011218213 [0,1,0,0,0,0|2,0,1]=4 1349 B11R1.17 CSCOc1cnccc1N 34a_100000753702_100011218213 [0,1,0,0,0,0|2,0,1]=4 1350 B11R1.17 CSCOc1coccc1=O 34a_100000060831_100011218213 [0,1,0,0,0,0|2,0,1]=4 1351 B11R1.17 CSCOc1ncccc1Cl 34a_100011290957_100011218213 [0,1,0,0,0,0|2,0,1]=4 1352 B11R1.17 CSCOc1ncccc1F 34a_100011219419_100011218213 [0,1,0,0,0,0|2,0,1]=4 1353 B11R1.17 CSCOc1ncccc1N 34a_100000746358_100011218213 [0,1,0,0,0,0|2,0,1]=4 1354 B11R1.17 CSCSc1ccccc1Br 62a_100000695589_100011218213 [0,1,0,0,0,0|1,1,1]=4 1355 B11R1.17 CSCSc1ccccc1Br 62a_100011218213_100000695589 [0,1,0,0,0,0|1,1,1]=4 1356 B11R1.17 CSCSc1ccccc1C 62a_100000210755_100011218213 [0,1,0,0,0,0|1,1,1]=4 1357 B11R1.17 CSCSc1ccccc1C 62a_100011218213_100000210755 [0,1,0,0,0,0|1,1,1]=4 1358 B11R1.17 CSCSc1ccccc1Cl 62a_100000764095_100011218213 [0,1,0,0,0,0|1,1,1]=4 1359 B11R1.17 CSCSc1ccccc1Cl 62a_100011218213_100000764095 [0,1,0,0,0,0|1,1,1]=4 1360 B11R1.17 CSCSc1ccccc1F 62a_100011215700_100011218213 [0,1,0,0,0,0|1,1,1]=4 1361 B11R1.17 CSCSc1ccccc1F 62a_100011218213_100011215700 [0,1,0,0,0,0|1,1,1]=4 1362 B11R1.17 CSCSc1ccccc1N 62a_100000210017_100011218213 [0,1,0,0,0,0|1,1,1]=4 1363 B11R1.17 CSCSc1ccccc1N 62a_100011218213_100000210017 [0,1,0,0,0,0|1,1,1]=4 1364 B11R1.17 CSCSc1ccccc1O 62a_100000739446_100011218213 [0,1,0,0,0,0|1,1,1]=4 1365 B11R1.17 CSCSc1ccccc1O 62a_100011218213_100000739446 [0,1,0,0,0,0|1,1,1]=4 1366 B11R1.17 C[n+]1ccccc1SCC=O 62a_200015260668_100000212160 [0,1,0,0,0,0|2,1,0]=4 1367 B11R1.17 Cc1ccccc1CCN[13CH3] 2230a_100000685071_200025704644 [0,1,0,0,0,0|2,0,1]=4 1368 B11R1.17 Cc1ccccc1CCN[13CH3] 34a_100000685071_200025704644 [0,1,0,0,0,0|2,0,1]=4 1369 B11R1.17 Cc1ccccc1CCO[13CH3] 34a_100011220023_200025704644 [0,1,0,0,0,0|2,0,1]=4 1370 B11R1.17 Cc1ccccc1CCO[13CH3] 7a_100011220023_200025704644 [0,1,0,0,0,0|2,0,1]=4 1371 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_100011713688_200025704644 [0,1,0,0,0,0|2,0,1]=4 1372 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_200025704644_100011713688 [0,1,0,0,0,0|2,0,1]=4 1373 B11R1.17 Cc1ccccc1NCC=O 34a_100015192222_200009817547 [0,1,0,0,0,0|2,0,0]=3 1374 B11R1.17 Cc1ccccc1NCCF 34a_100015192222_100011217306 [0,1,0,0,0,0|2,0,1]=4 1375 B11R1.17 Cc1ccccc1NCCO 34a_100015192222_100000211926 [0,1,0,0,0,0|2,0,1]=4 1376 B11R1.17 Cc1ccccc1OCC#N 7a_100000210338_100011215382 [0,1,0,0,0,0|1,0,1]=3 1377 B11R1.17 Cc1ccccc1OCC=O 34a_100000210338_200009817547 [0,1,0,0,0,0|1,0,0]=2 1378 B11R1.17 Cc1ccccc1OCC=O 7a_100000210338_200015260668 [0,1,0,0,0,0|1,0,0]=2 1379 B11R1.17 Cc1ccccc1OCCF 34a_100000210338_100011217306 [0,1,0,0,0,0|1,0,1]=3 1380 B11R1.17 Cc1ccccc1OCCF 7a_100000210338_100011217306 [0,1,0,0,0,0|1,0,1]=3 1381 B11R1.17 Cc1ccccc1OCCO 34a_100000210338_100000211926 [0,1,0,0,0,0|1,0,1]=3 1382 B11R1.17 Cc1ccccc1OCCO 7a_100000210338_100000211926 [0,1,0,0,0,0|1,0,1]=3 1383 B11R1.17 Cc1ccccc1SCC#N 62a_100000210755_100011215382 [0,1,0,0,0,0|1,1,1]=4 1384 B11R1.17 Cc1ccccc1SCC#N 62a_100011215382_100000210755 [0,1,0,0,0,0|1,1,1]=4 1385 B11R1.17 Cc1ccccc1SCC=O 62a_100000210755_200015260668 [0,1,0,0,0,0|1,1,0]=3 1386 B11R1.17 Cc1ccccc1SCC=O 62a_200015260668_100000210755 [0,1,0,0,0,0|1,1,0]=3 1387 B11R1.17 Cc1ccccc1SCCF 62a_100000210755_100011217306 [0,1,0,0,0,0|1,1,1]=4 1388 B11R1.17 Cc1ccccc1SCCF 62a_100011217306_100000210755 [0,1,0,0,0,0|1,1,1]=4 1389 B11R1.17 Cc1ccccc1SCCO 62a_100000210755_100000211926 [0,1,0,0,0,0|1,1,1]=4 1390 B11R1.17 Cc1ccccc1SCCO 62a_100000211926_100000210755 [0,1,0,0,0,0|1,1,1]=4 1391 B11R1.17 Cc1cccnc1SCC=O 62a_100000751373_200015260668 [0,1,0,0,0,0|2,1,0]=4 1392 B11R1.17 Cc1cccnc1SCC=O 62a_200015260668_100000751373 [0,1,0,0,0,0|2,1,0]=4 1393 B11R1.17 Cc1ccncc1OCC#N 7a_100011997053_100011215382 [0,1,0,0,0,0|2,0,1]=4 1394 B11R1.17 Cc1ccncc1OCC=O 34a_100011997053_200009817547 [0,1,0,0,0,0|2,0,0]=3 1395 B11R1.17 Cc1ccncc1OCC=O 7a_100011997053_200015260668 [0,1,0,0,0,0|2,0,0]=3 1396 B11R1.17 Cc1ccncc1OCCF 34a_100011997053_100011217306 [0,1,0,0,0,0|2,0,1]=4 1397 B11R1.17 Cc1ccncc1OCCF 7a_100011997053_100011217306 [0,1,0,0,0,0|2,0,1]=4 1398 B11R1.17 Cc1ccncc1OCCO 34a_100011997053_100000211926 [0,1,0,0,0,0|2,0,1]=4 1399 B11R1.17 Cc1ccncc1OCCO 7a_100011997053_100000211926 [0,1,0,0,0,0|2,0,1]=4 1400 B11R1.17 Cc1ccncc1SCC=O 62a_100000761580_200015260668 [0,1,0,0,0,0|2,1,0]=4 1401 B11R1.17 Cc1ccncc1SCC=O 62a_200015260668_100000761580 [0,1,0,0,0,0|2,1,0]=4 1402 B11R1.17 Cc1cnccc1OCC=O 34a_100000694293_200009817547 [0,1,0,0,0,0|2,0,0]=3 1403 B11R1.17 Cc1cnccc1OCCF 34a_100000694293_100011217306 [0,1,0,0,0,0|2,0,1]=4 1404 B11R1.17 Cc1cnccc1OCCO 34a_100000694293_100000211926 [0,1,0,0,0,0|2,0,1]=4 1405 B11R1.17 Cc1cnccc1SCC=O 62a_100000765111_200015260668 [0,1,0,0,0,0|2,1,0]=4 1406 B11R1.17 Cc1cnccc1SCC=O 62a_200015260668_100000765111 [0,1,0,0,0,0|2,1,0]=4 1407 B11R1.17 Cc1ncccc1OCC#N 7a_100000745507_100011215382 [0,1,0,0,0,0|2,0,1]=4 1408 B11R1.17 Cc1ncccc1OCC=O 34a_100000745507_200009817547 [0,1,0,0,0,0|2,0,0]=3 1409 B11R1.17 Cc1ncccc1OCC=O 7a_100000745507_200015260668 [0,1,0,0,0,0|2,0,0]=3 1410 B11R1.17 Cc1ncccc1OCCF 34a_100000745507_100011217306 [0,1,0,0,0,0|2,0,1]=4 1411 B11R1.17 Cc1ncccc1OCCF 7a_100000745507_100011217306 [0,1,0,0,0,0|2,0,1]=4 1412 B11R1.17 Cc1ncccc1OCCO 34a_100000745507_100000211926 [0,1,0,0,0,0|2,0,1]=4 1413 B11R1.17 Cc1ncccc1OCCO 7a_100000745507_100000211926 [0,1,0,0,0,0|2,0,1]=4 1414 B11R1.17 Cc1ncccc1SCC=O 62a_100000751574_200015260668 [0,1,0,0,0,0|2,1,0]=4 1415 B11R1.17 Cc1ncccc1SCC=O 62a_200015260668_100000751574 [0,1,0,0,0,0|2,1,0]=4 1416 B11R1.17 Cc1nccnc1OCC=O 34a_100000766352_200009817547 [0,1,0,0,0,0|3,0,0]=4 1417 B11R1.17 FCCNc1ccccc1Br 34a_100000210017_100011217306 [0,1,0,0,0,0|2,0,1]=4 1418 B11R1.17 FCCNc1ccccc1Cl 34a_100000185783_100011217306 [0,1,0,0,0,0|2,0,1]=4 1419 B11R1.17 FCCNc1ccccc1F 34a_100000210422_100011217306 [0,1,0,0,0,0|2,0,1]=4 1420 B11R1.17 FCCNc1ccccc1I 34a_100000210053_100011217306 [0,1,0,0,0,0|2,0,1]=4 1421 B11R1.17 FCCOc1ccccc1Br 34a_100000181306_100011217306 [0,1,0,0,0,0|1,0,1]=3 1422 B11R1.17 FCCOc1ccccc1Br 7a_100000181306_100011217306 [0,1,0,0,0,0|1,0,1]=3 1423 B11R1.17 FCCOc1ccccc1Cl 34a_100000210172_100011217306 [0,1,0,0,0,0|1,0,1]=3 1424 B11R1.17 FCCOc1ccccc1Cl 7a_100000210172_100011217306 [0,1,0,0,0,0|1,0,1]=3 1425 B11R1.17 FCCOc1ccccc1F 34a_100000210171_100011217306 [0,1,0,0,0,0|1,0,1]=3 1426 B11R1.17 FCCOc1ccccc1F 7a_100000210171_100011217306 [0,1,0,0,0,0|1,0,1]=3 1427 B11R1.17 FCCOc1ccccc1I 34a_100000739446_100011217306 [0,1,0,0,0,0|1,0,1]=3 1428 B11R1.17 FCCOc1ccccc1I 7a_100000739446_100011217306 [0,1,0,0,0,0|1,0,1]=3 1429 B11R1.17 FCCOc1cccnc1Br 34a_100000744436_100011217306 [0,1,0,0,0,0|2,0,1]=4 1430 B11R1.17 FCCOc1cccnc1Br 7a_100000744436_100011217306 [0,1,0,0,0,0|2,0,1]=4 1431 B11R1.17 FCCOc1cccnc1Cl 34a_100000757616_100011217306 [0,1,0,0,0,0|2,0,1]=4 1432 B11R1.17 FCCOc1cccnc1Cl 7a_100000757616_100011217306 [0,1,0,0,0,0|2,0,1]=4 1433 B11R1.17 FCCOc1cccnc1F 34a_100000061740_100011217306 [0,1,0,0,0,0|2,0,1]=4 1434 B11R1.17 FCCOc1cccnc1F 7a_100000061740_100011217306 [0,1,0,0,0,0|2,0,1]=4 1435 B11R1.17 FCCOc1cccnc1I 34a_100000034122_100011217306 [0,1,0,0,0,0|2,0,1]=4 1436 B11R1.17 FCCOc1cccnc1I 7a_100000034122_100011217306 [0,1,0,0,0,0|2,0,1]=4 1437 B11R1.17 FCCOc1ccncc1Br 34a_100011996408_100011217306 [0,1,0,0,0,0|2,0,1]=4 1438 B11R1.17 FCCOc1ccncc1Cl 34a_100011997054_100011217306 [0,1,0,0,0,0|2,0,1]=4 1439 B11R1.17 FCCOc1ccncc1F 34a_200000081243_100011217306 [0,1,0,0,0,0|2,0,1]=4 1440 B11R1.17 FCCOc1cnccc1Cl 34a_100011996695_100011217306 [0,1,0,0,0,0|2,0,1]=4 1441 B11R1.17 FCCOc1cnccc1I 34a_100000050107_100011217306 [0,1,0,0,0,0|2,0,1]=4 1442 B11R1.17 FCCOc1ncccc1Cl 34a_100011290957_100011217306 [0,1,0,0,0,0|2,0,1]=4 1443 B11R1.17 FCCOc1ncccc1F 34a_100011219419_100011217306 [0,1,0,0,0,0|2,0,1]=4 1444 B11R1.17 FCCSc1ccccc1Br 62a_100000695589_100011217306 [0,1,0,0,0,0|1,1,1]=4 1445 B11R1.17 FCCSc1ccccc1Br 62a_100011217306_100000695589 [0,1,0,0,0,0|1,1,1]=4 1446 B11R1.17 FCCSc1ccccc1Cl 62a_100000764095_100011217306 [0,1,0,0,0,0|1,1,1]=4 1447 B11R1.17 FCCSc1ccccc1Cl 62a_100011217306_100000764095 [0,1,0,0,0,0|1,1,1]=4 1448 B11R1.17 FCCSc1ccccc1F 62a_100011215700_100011217306 [0,1,0,0,0,0|1,1,1]=4 1449 B11R1.17 FCCSc1ccccc1F 62a_100011217306_100011215700 [0,1,0,0,0,0|1,1,1]=4 1450 B11R1.17 N#CCOc1cccc[n+]1[O-] 7a_100000211761_100011215382 [0,1,0,0,0,0|2,0,1]=4 1451 B11R1.17 N#CCOc1ccccc1Br 7a_100000181306_100011215382 [0,1,0,0,0,0|1,0,1]=3 1452 B11R1.17 N#CCOc1ccccc1Cl 7a_100000210172_100011215382 [0,1,0,0,0,0|1,0,1]=3 1453 B11R1.17 N#CCOc1ccccc1F 7a_100000210171_100011215382 [0,1,0,0,0,0|1,0,1]=3 1454 B11R1.17 N#CCOc1ccccc1I 7a_100000739446_100011215382 [0,1,0,0,0,0|1,0,1]=3 1455 B11R1.17 N#CCOc1ccccc1N 7a_100000185747_100011215382 [0,1,0,0,0,0|1,0,1]=3 1456 B11R1.17 N#CCOc1ccccc1O 271570a_203496583355_200000173881 [0,1,0,0,0,0|1,0,1]=3 1457 B11R1.17 N#CCOc1cccnc1Br 7a_100000744436_100011215382 [0,1,0,0,0,0|2,0,1]=4 1458 B11R1.17 N#CCOc1cccnc1Cl 7a_100000757616_100011215382 [0,1,0,0,0,0|2,0,1]=4 1459 B11R1.17 N#CCOc1cccnc1F 7a_100000061740_100011215382 [0,1,0,0,0,0|2,0,1]=4 1460 B11R1.17 N#CCOc1cccnc1I 7a_100000034122_100011215382 [0,1,0,0,0,0|2,0,1]=4 1461 B11R1.17 N#CCOc1cccnc1N 7a_100000211975_100011215382 [0,1,0,0,0,0|2,0,1]=4 1462 B11R1.17 N#CCOc1cccoc1=O 7a_100000077404_100011215382 [0,1,0,0,0,0|2,0,1]=4 1463 B11R1.17 N#CCSc1ccccc1Br 62a_100000695589_100011215382 [0,1,0,0,0,0|1,1,1]=4 1464 B11R1.17 N#CCSc1ccccc1Br 62a_100011215382_100000695589 [0,1,0,0,0,0|1,1,1]=4 1465 B11R1.17 N#CCSc1ccccc1Cl 62a_100000764095_100011215382 [0,1,0,0,0,0|1,1,1]=4 1466 B11R1.17 N#CCSc1ccccc1Cl 62a_100011215382_100000764095 [0,1,0,0,0,0|1,1,1]=4 1467 B11R1.17 N#CCSc1ccccc1F 62a_100011215382_100011215700 [0,1,0,0,0,0|1,1,1]=4 1468 B11R1.17 N#CCSc1ccccc1F 62a_100011215700_100011215382 [0,1,0,0,0,0|1,1,1]=4 1469 B11R1.17 N#CCSc1ccccc1N 62a_100000210017_100011215382 [0,1,0,0,0,0|1,1,1]=4 1470 B11R1.17 N#CCSc1ccccc1N 62a_100011215382_100000210017 [0,1,0,0,0,0|1,1,1]=4 1471 B11R1.17 N#CCSc1ccccc1O 62a_100000739446_100011215382 [0,1,0,0,0,0|1,1,1]=4 1472 B11R1.17 N#CCSc1ccccc1O 62a_100011215382_100000739446 [0,1,0,0,0,0|1,1,1]=4 1473 B11R1.17 NCCOc1ccccc1O 271570a_203496583355_100000744007 [0,1,0,0,0,0|1,0,1]=3 1474 B11R1.17 Nc1ccccc1OCC=O 34a_100000185747_200009817547 [0,1,0,0,0,0|1,0,0]=2 1475 B11R1.17 Nc1ccccc1OCC=O 7a_100000185747_200015260668 [0,1,0,0,0,0|1,0,0]=2 1476 B11R1.17 Nc1ccccc1OCCF 34a_100000185747_100011217306 [0,1,0,0,0,0|1,0,1]=3 1477 B11R1.17 Nc1ccccc1OCCF 7a_100000185747_100011217306 [0,1,0,0,0,0|1,0,1]=3 1478 B11R1.17 Nc1ccccc1OCCO 34a_100000185747_100000211926 [0,1,0,0,0,0|1,0,1]=3 1479 B11R1.17 Nc1ccccc1OCCO 7a_100000185747_100000211926 [0,1,0,0,0,0|1,0,1]=3 1480 B11R1.17 Nc1ccccc1SCC=O 62a_100000210017_200015260668 [0,1,0,0,0,0|1,1,0]=3 1481 B11R1.17 Nc1ccccc1SCC=O 62a_200015260668_100000210017 [0,1,0,0,0,0|1,1,0]=3 1482 B11R1.17 Nc1ccccc1SCCF 62a_100000210017_100011217306 [0,1,0,0,0,0|1,1,1]=4 1483 B11R1.17 Nc1ccccc1SCCF 62a_100011217306_100000210017 [0,1,0,0,0,0|1,1,1]=4 1484 B11R1.17 Nc1ccccc1SCCO 62a_100000210017_100000211926 [0,1,0,0,0,0|1,1,1]=4 1485 B11R1.17 Nc1ccccc1SCCO 62a_100000211926_100000210017 [0,1,0,0,0,0|1,1,1]=4 1486 B11R1.17 Nc1cccnc1OCC=O 34a_100000746358_200009817547 [0,1,0,0,0,0|2,0,0]=3 1487 B11R1.17 Nc1cccnc1OCCF 34a_100000746358_100011217306 [0,1,0,0,0,0|2,0,1]=4 1488 B11R1.17 Nc1cccnc1OCCO 34a_100000746358_100000211926 [0,1,0,0,0,0|2,0,1]=4 1489 B11R1.17 Nc1cccnc1SCC=O 62a_100000688686_200015260668 [0,1,0,0,0,0|2,1,0]=4 1490 B11R1.17 Nc1cccnc1SCC=O 62a_200015260668_100000688686 [0,1,0,0,0,0|2,1,0]=4 1491 B11R1.17 Nc1ccncc1OCC=O 34a_100000753702_200009817547 [0,1,0,0,0,0|2,0,0]=3 1492 B11R1.17 Nc1ccncc1OCCF 34a_100000753702_100011217306 [0,1,0,0,0,0|2,0,1]=4 1493 B11R1.17 Nc1ccncc1OCCO 34a_100000753702_100000211926 [0,1,0,0,0,0|2,0,1]=4 1494 B11R1.17 Nc1ccncc1SCC=O 62a_100000047001_200015260668 [0,1,0,0,0,0|2,1,0]=4 1495 B11R1.17 Nc1ccncc1SCC=O 62a_200015260668_100000047001 [0,1,0,0,0,0|2,1,0]=4 1496 B11R1.17 Nc1cnccc1SCC=O 62a_100000756074_200015260668 [0,1,0,0,0,0|2,1,0]=4 1497 B11R1.17 Nc1cnccc1SCC=O 62a_200015260668_100000756074 [0,1,0,0,0,0|2,1,0]=4 1498 B11R1.17 Nc1ncccc1OCC=O 34a_100000211975_200009817547 [0,1,0,0,0,0|2,0,0]=3 1499 B11R1.17 Nc1ncccc1OCC=O 7a_100000211975_200015260668 [0,1,0,0,0,0|2,0,0]=3 1500 B11R1.17 Nc1ncccc1OCCF 34a_100000211975_100011217306 [0,1,0,0,0,0|2,0,1]=4 1501 B11R1.17 Nc1ncccc1OCCF 7a_100000211975_100011217306 [0,1,0,0,0,0|2,0,1]=4 1502 B11R1.17 Nc1ncccc1OCCO 34a_100000211975_100000211926 [0,1,0,0,0,0|2,0,1]=4 1503 B11R1.17 Nc1ncccc1OCCO 7a_100000211975_100000211926 [0,1,0,0,0,0|2,0,1]=4 1504 B11R1.17 Nc1ncccc1SCC=O 62a_100000045569_200015260668 [0,1,0,0,0,0|2,1,0]=4 1505 B11R1.17 Nc1ncccc1SCC=O 62a_200015260668_100000045569 [0,1,0,0,0,0|2,1,0]=4 1506 B11R1.17 Nc1ncncc1OCC=O 7a_100000112926_200015260668 [0,1,0,0,0,0|3,0,0]=4 1507 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [0,1,0,0,0,0|2,0,0]=3 1508 B11R1.17 O=CCNc1ccccc1Br 34a_100000210017_200009817547 [0,1,0,0,0,0|2,0,0]=3 1509 B11R1.17 O=CCNc1ccccc1Cl 34a_100000185783_200009817547 [0,1,0,0,0,0|2,0,0]=3 1510 B11R1.17 O=CCNc1ccccc1F 34a_100000210422_200009817547 [0,1,0,0,0,0|2,0,0]=3 1511 B11R1.17 O=CCNc1ccccc1I 34a_100000210053_200009817547 [0,1,0,0,0,0|2,0,0]=3 1512 B11R1.17 O=CCNc1ccccc1O 34a_100000185747_200009817547 [0,1,0,0,0,0|2,0,0]=3 1513 B11R1.17 O=CCOc1cccc[n+]1[O-] 7a_100000211761_200015260668 [0,1,0,0,0,0|2,0,0]=3 1514 B11R1.17 O=CCOc1ccccc1Br 34a_100000181306_200009817547 [0,1,0,0,0,0|1,0,0]=2 1515 B11R1.17 O=CCOc1ccccc1Br 7a_100000181306_200015260668 [0,1,0,0,0,0|1,0,0]=2 1516 B11R1.17 O=CCOc1ccccc1Cl 34a_100000210172_200009817547 [0,1,0,0,0,0|1,0,0]=2 1517 B11R1.17 O=CCOc1ccccc1Cl 7a_100000210172_200015260668 [0,1,0,0,0,0|1,0,0]=2 1518 B11R1.17 O=CCOc1ccccc1F 34a_100000210171_200009817547 [0,1,0,0,0,0|1,0,0]=2 1519 B11R1.17 O=CCOc1ccccc1F 7a_100000210171_200015260668 [0,1,0,0,0,0|1,0,0]=2 1520 B11R1.17 O=CCOc1ccccc1I 34a_100000739446_200009817547 [0,1,0,0,0,0|1,0,0]=2 1521 B11R1.17 O=CCOc1ccccc1I 7a_100000739446_200015260668 [0,1,0,0,0,0|1,0,0]=2 1522 B11R1.17 O=CCOc1cccnc1Br 34a_100000744436_200009817547 [0,1,0,0,0,0|2,0,0]=3 1523 B11R1.17 O=CCOc1cccnc1Br 7a_100000744436_200015260668 [0,1,0,0,0,0|2,0,0]=3 1524 B11R1.17 O=CCOc1cccnc1Cl 34a_100000757616_200009817547 [0,1,0,0,0,0|2,0,0]=3 1525 B11R1.17 O=CCOc1cccnc1Cl 7a_100000757616_200015260668 [0,1,0,0,0,0|2,0,0]=3 1526 B11R1.17 O=CCOc1cccnc1F 34a_100000061740_200009817547 [0,1,0,0,0,0|2,0,0]=3 1527 B11R1.17 O=CCOc1cccnc1F 7a_100000061740_200015260668 [0,1,0,0,0,0|2,0,0]=3 1528 B11R1.17 O=CCOc1cccnc1I 34a_100000034122_200009817547 [0,1,0,0,0,0|2,0,0]=3 1529 B11R1.17 O=CCOc1cccnc1I 7a_100000034122_200015260668 [0,1,0,0,0,0|2,0,0]=3 1530 B11R1.17 O=CCOc1cccoc1=O 34a_100000077404_200009817547 [0,1,0,0,0,0|2,0,0]=3 1531 B11R1.17 O=CCOc1cccoc1=O 7a_100000077404_200015260668 [0,1,0,0,0,0|2,0,0]=3 1532 B11R1.17 O=CCOc1ccncc1Br 34a_100011996408_200009817547 [0,1,0,0,0,0|2,0,0]=3 1533 B11R1.17 O=CCOc1ccncc1Cl 34a_100011997054_200009817547 [0,1,0,0,0,0|2,0,0]=3 1534 B11R1.17 O=CCOc1ccncc1F 34a_200000081243_200009817547 [0,1,0,0,0,0|2,0,0]=3 1535 B11R1.17 O=CCOc1cnccc1Cl 34a_100011996695_200009817547 [0,1,0,0,0,0|2,0,0]=3 1536 B11R1.17 O=CCOc1cnccc1I 34a_100000050107_200009817547 [0,1,0,0,0,0|2,0,0]=3 1537 B11R1.17 O=CCOc1coccc1=O 34a_100000060831_200009817547 [0,1,0,0,0,0|2,0,0]=3 1538 B11R1.17 O=CCOc1ncccc1Cl 34a_100011290957_200009817547 [0,1,0,0,0,0|2,0,0]=3 1539 B11R1.17 O=CCOc1ncccc1F 34a_100011219419_200009817547 [0,1,0,0,0,0|2,0,0]=3 1540 B11R1.17 O=CCSc1c[nH]ccc1=O 62a_100009998708_200015260668 [0,1,0,0,0,0|2,1,0]=4 1541 B11R1.17 O=CCSc1c[nH]ccc1=O 62a_200015260668_100009998708 [0,1,0,0,0,0|2,1,0]=4 1542 B11R1.17 O=CCSc1c[nH]ccc1=S 62a_200012280681_200015260668 [0,1,0,0,0,0|2,1,0]=4 1543 B11R1.17 O=CCSc1c[nH]ccc1=S 62a_200015260668_200012280681 [0,1,0,0,0,0|2,1,0]=4 1544 B11R1.17 O=CCSc1cccc[n+]1[O-] 62a_200015260668_200000042595 [0,1,0,0,0,0|2,1,0]=4 1545 B11R1.17 O=CCSc1ccccc1Br 62a_100000695589_200015260668 [0,1,0,0,0,0|1,1,0]=3 1546 B11R1.17 O=CCSc1ccccc1Br 62a_200015260668_100000695589 [0,1,0,0,0,0|1,1,0]=3 1547 B11R1.17 O=CCSc1ccccc1Cl 62a_100000764095_200015260668 [0,1,0,0,0,0|1,1,0]=3 1548 B11R1.17 O=CCSc1ccccc1Cl 62a_200015260668_100000764095 [0,1,0,0,0,0|1,1,0]=3 1549 B11R1.17 O=CCSc1ccccc1F 62a_100011215700_200015260668 [0,1,0,0,0,0|1,1,0]=3 1550 B11R1.17 O=CCSc1ccccc1F 62a_200015260668_100011215700 [0,1,0,0,0,0|1,1,0]=3 1551 B11R1.17 O=CCSc1ccccc1O 62a_100000739446_200015260668 [0,1,0,0,0,0|1,1,0]=3 1552 B11R1.17 O=CCSc1ccccc1O 62a_200015260668_100000739446 [0,1,0,0,0,0|1,1,0]=3 1553 B11R1.17 O=CCSc1cccnc1Br 62a_100010202626_200015260668 [0,1,0,0,0,0|2,1,0]=4 1554 B11R1.17 O=CCSc1cccnc1Br 62a_200015260668_100010202626 [0,1,0,0,0,0|2,1,0]=4 1555 B11R1.17 O=CCSc1cccnc1Cl 62a_100000036424_200015260668 [0,1,0,0,0,0|2,1,0]=4 1556 B11R1.17 O=CCSc1cccnc1Cl 62a_200015260668_100000036424 [0,1,0,0,0,0|2,1,0]=4 1557 B11R1.17 O=CCSc1cccnc1F 62a_100009816115_200015260668 [0,1,0,0,0,0|2,1,0]=4 1558 B11R1.17 O=CCSc1cccnc1F 62a_200015260668_100009816115 [0,1,0,0,0,0|2,1,0]=4 1559 B11R1.17 O=CCSc1cccnc1O 62a_100000760158_200015260668 [0,1,0,0,0,0|2,1,0]=4 1560 B11R1.17 O=CCSc1cccnc1O 62a_200015260668_100000760158 [0,1,0,0,0,0|2,1,0]=4 1561 B11R1.17 O=CCSc1ccncc1Br 62a_100000726257_200015260668 [0,1,0,0,0,0|2,1,0]=4 1562 B11R1.17 O=CCSc1ccncc1Br 62a_200015260668_100000726257 [0,1,0,0,0,0|2,1,0]=4 1563 B11R1.17 O=CCSc1ccncc1Cl 62a_100000708259_200015260668 [0,1,0,0,0,0|2,1,0]=4 1564 B11R1.17 O=CCSc1ccncc1Cl 62a_200015260668_100000708259 [0,1,0,0,0,0|2,1,0]=4 1565 B11R1.17 O=CCSc1ccncc1F 62a_100000047030_200015260668 [0,1,0,0,0,0|2,1,0]=4 1566 B11R1.17 O=CCSc1ccncc1F 62a_200015260668_100000047030 [0,1,0,0,0,0|2,1,0]=4 1567 B11R1.17 O=CCSc1ccncc1O 62a_100009817591_200015260668 [0,1,0,0,0,0|2,1,0]=4 1568 B11R1.17 O=CCSc1ccncc1O 62a_200015260668_100009817591 [0,1,0,0,0,0|2,1,0]=4 1569 B11R1.17 O=CCSc1cnccc1Br 62a_100010138639_200015260668 [0,1,0,0,0,0|2,1,0]=4 1570 B11R1.17 O=CCSc1cnccc1Br 62a_200015260668_100010138639 [0,1,0,0,0,0|2,1,0]=4 1571 B11R1.17 O=CCSc1cnccc1Cl 62a_100009995489_200015260668 [0,1,0,0,0,0|2,1,0]=4 1572 B11R1.17 O=CCSc1cnccc1Cl 62a_200015260668_100009995489 [0,1,0,0,0,0|2,1,0]=4 1573 B11R1.17 O=CCSc1cnccc1F 62a_100009820683_200015260668 [0,1,0,0,0,0|2,1,0]=4 1574 B11R1.17 O=CCSc1cnccc1F 62a_200015260668_100009820683 [0,1,0,0,0,0|2,1,0]=4 1575 B11R1.17 O=CCSc1ncccc1Br 62a_100000696092_200015260668 [0,1,0,0,0,0|2,1,0]=4 1576 B11R1.17 O=CCSc1ncccc1Br 62a_200015260668_100000696092 [0,1,0,0,0,0|2,1,0]=4 1577 B11R1.17 O=CCSc1ncccc1Cl 62a_100011356963_200015260668 [0,1,0,0,0,0|2,1,0]=4 1578 B11R1.17 O=CCSc1ncccc1Cl 62a_200015260668_100011356963 [0,1,0,0,0,0|2,1,0]=4 1579 B11R1.17 O=CCSc1ncccc1F 62a_100000685392_200015260668 [0,1,0,0,0,0|2,1,0]=4 1580 B11R1.17 O=CCSc1ncccc1F 62a_200015260668_100000685392 [0,1,0,0,0,0|2,1,0]=4 1581 B11R1.17 O=CCSc1ncccc1O 62a_100000034122_200015260668 [0,1,0,0,0,0|2,1,0]=4 1582 B11R1.17 O=CCSc1ncccc1O 62a_200015260668_100000034122 [0,1,0,0,0,0|2,1,0]=4 1583 B11R1.17 O=c1ccocc1OCCF 34a_100000060831_100011217306 [0,1,0,0,0,0|2,0,1]=4 1584 B11R1.17 O=c1ccocc1OCCO 34a_100000060831_100000211926 [0,1,0,0,0,0|2,0,1]=4 1585 B11R1.17 O=c1occcc1OCCF 34a_100000077404_100011217306 [0,1,0,0,0,0|2,0,1]=4 1586 B11R1.17 O=c1occcc1OCCF 7a_100000077404_100011217306 [0,1,0,0,0,0|2,0,1]=4 1587 B11R1.17 O=c1occcc1OCCO 34a_100000077404_100000211926 [0,1,0,0,0,0|2,0,1]=4 1588 B11R1.17 O=c1occcc1OCCO 7a_100000077404_100000211926 [0,1,0,0,0,0|2,0,1]=4 1589 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [0,1,0,0,0,0|2,0,1]=4 1590 B11R1.17 OCCNc1ccccc1Br 34a_100000210017_100000211926 [0,1,0,0,0,0|2,0,1]=4 1591 B11R1.17 OCCNc1ccccc1Cl 34a_100000185783_100000211926 [0,1,0,0,0,0|2,0,1]=4 1592 B11R1.17 OCCNc1ccccc1F 34a_100000210422_100000211926 [0,1,0,0,0,0|2,0,1]=4 1593 B11R1.17 OCCNc1ccccc1I 34a_100000210053_100000211926 [0,1,0,0,0,0|2,0,1]=4 1594 B11R1.17 OCCNc1ccccc1O 34a_100000185747_100000211926 [0,1,0,0,0,0|2,0,1]=4 1595 B11R1.17 OCCOc1ccccc1Br 34a_100000181306_100000211926 [0,1,0,0,0,0|1,0,1]=3 1596 B11R1.17 OCCOc1ccccc1Br 7a_100000181306_100000211926 [0,1,0,0,0,0|1,0,1]=3 1597 B11R1.17 OCCOc1ccccc1Cl 34a_100000210172_100000211926 [0,1,0,0,0,0|1,0,1]=3 1598 B11R1.17 OCCOc1ccccc1Cl 7a_100000210172_100000211926 [0,1,0,0,0,0|1,0,1]=3 1599 B11R1.17 OCCOc1ccccc1F 34a_100000210171_100000211926 [0,1,0,0,0,0|1,0,1]=3 1600 B11R1.17 OCCOc1ccccc1F 7a_100000210171_100000211926 [0,1,0,0,0,0|1,0,1]=3 1601 B11R1.17 OCCOc1ccccc1I 34a_100000739446_100000211926 [0,1,0,0,0,0|1,0,1]=3 1602 B11R1.17 OCCOc1ccccc1I 7a_100000739446_100000211926 [0,1,0,0,0,0|1,0,1]=3 1603 B11R1.17 OCCOc1ccccc1O 271570a_203496583355_100000230753 [0,1,0,0,0,0|1,0,1]=3 1604 B11R1.17 OCCOc1cccnc1Br 34a_100000744436_100000211926 [0,1,0,0,0,0|2,0,1]=4 1605 B11R1.17 OCCOc1cccnc1Br 7a_100000744436_100000211926 [0,1,0,0,0,0|2,0,1]=4 1606 B11R1.17 OCCOc1cccnc1Cl 34a_100000757616_100000211926 [0,1,0,0,0,0|2,0,1]=4 1607 B11R1.17 OCCOc1cccnc1Cl 7a_100000757616_100000211926 [0,1,0,0,0,0|2,0,1]=4 1608 B11R1.17 OCCOc1cccnc1F 34a_100000061740_100000211926 [0,1,0,0,0,0|2,0,1]=4 1609 B11R1.17 OCCOc1cccnc1F 7a_100000061740_100000211926 [0,1,0,0,0,0|2,0,1]=4 1610 B11R1.17 OCCOc1cccnc1I 34a_100000034122_100000211926 [0,1,0,0,0,0|2,0,1]=4 1611 B11R1.17 OCCOc1cccnc1I 7a_100000034122_100000211926 [0,1,0,0,0,0|2,0,1]=4 1612 B11R1.17 OCCOc1ccncc1Br 34a_100011996408_100000211926 [0,1,0,0,0,0|2,0,1]=4 1613 B11R1.17 OCCOc1ccncc1Cl 34a_100011997054_100000211926 [0,1,0,0,0,0|2,0,1]=4 1614 B11R1.17 OCCOc1ccncc1F 34a_200000081243_100000211926 [0,1,0,0,0,0|2,0,1]=4 1615 B11R1.17 OCCOc1cnccc1Cl 34a_100011996695_100000211926 [0,1,0,0,0,0|2,0,1]=4 1616 B11R1.17 OCCOc1cnccc1I 34a_100000050107_100000211926 [0,1,0,0,0,0|2,0,1]=4 1617 B11R1.17 OCCOc1ncccc1Cl 34a_100011290957_100000211926 [0,1,0,0,0,0|2,0,1]=4 1618 B11R1.17 OCCOc1ncccc1F 34a_100011219419_100000211926 [0,1,0,0,0,0|2,0,1]=4 1619 B11R1.17 OCCSc1ccccc1Br 62a_100000211926_100000695589 [0,1,0,0,0,0|1,1,1]=4 1620 B11R1.17 OCCSc1ccccc1Br 62a_100000695589_100000211926 [0,1,0,0,0,0|1,1,1]=4 1621 B11R1.17 OCCSc1ccccc1Cl 62a_100000211926_100000764095 [0,1,0,0,0,0|1,1,1]=4 1622 B11R1.17 OCCSc1ccccc1Cl 62a_100000764095_100000211926 [0,1,0,0,0,0|1,1,1]=4 1623 B11R1.17 OCCSc1ccccc1F 62a_100000211926_100011215700 [0,1,0,0,0,0|1,1,1]=4 1624 B11R1.17 OCCSc1ccccc1F 62a_100011215700_100000211926 [0,1,0,0,0,0|1,1,1]=4 1625 B11R1.17 OCCSc1ccccc1O 271570a_203496583355_200000230852 [0,1,0,0,0,0|1,1,1]=4 1626 B11R1.17 OCCSc1ccccc1O 62a_100000211926_100000739446 [0,1,0,0,0,0|1,1,1]=4 1627 B11R1.17 OCCSc1ccccc1O 62a_100000739446_100000211926 [0,1,0,0,0,0|1,1,1]=4 1628 B11R1.17 Oc1ccccc1NCCF 34a_100000185747_100011217306 [0,1,0,0,0,0|2,0,1]=4 1629 B11R1.17 Oc1ccccc1SCCF 62a_100000739446_100011217306 [0,1,0,0,0,0|1,1,1]=4 1630 B11R1.17 Oc1ccccc1SCCF 62a_100011217306_100000739446 [0,1,0,0,0,0|1,1,1]=4 1631 B11R1.17 Oc1ncccc1OCCF 271570a_203496583355_100012814765 [0,1,0,0,0,0|2,0,1]=4 1632 B11R1.17 [13CH3]NCCc1ccccc1Br 2230a_100000747383_200025704644 [0,1,0,0,0,0|2,0,1]=4 1633 B11R1.17 [13CH3]NCCc1ccccc1Br 34a_100000747383_200025704644 [0,1,0,0,0,0|2,0,1]=4 1634 B11R1.17 [13CH3]NCCc1ccccc1Cl 2230a_100011207228_200025704644 [0,1,0,0,0,0|2,0,1]=4 1635 B11R1.17 [13CH3]NCCc1ccccc1Cl 34a_100011207228_200025704644 [0,1,0,0,0,0|2,0,1]=4 1636 B11R1.17 [13CH3]NCCc1ccccc1F 2230a_100000185272_200025704644 [0,1,0,0,0,0|2,0,1]=4 1637 B11R1.17 [13CH3]NCCc1ccccc1F 34a_100000185272_200025704644 [0,1,0,0,0,0|2,0,1]=4 1638 B11R1.17 [13CH3]NCCc1ccccc1O 34a_100011207237_200025704644 [0,1,0,0,0,0|2,0,1]=4 1639 B11R1.17 [13CH3]OCCc1ccccc1Br 34a_100000731337_200025704644 [0,1,0,0,0,0|2,0,1]=4 1640 B11R1.17 [13CH3]OCCc1ccccc1Br 7a_100000731337_200025704644 [0,1,0,0,0,0|2,0,1]=4 1641 B11R1.17 [13CH3]OCCc1ccccc1Cl 34a_100011215284_200025704644 [0,1,0,0,0,0|2,0,1]=4 1642 B11R1.17 [13CH3]OCCc1ccccc1Cl 7a_100011215284_200025704644 [0,1,0,0,0,0|2,0,1]=4 1643 B11R1.17 [13CH3]OCCc1ccccc1F 34a_100000753711_200025704644 [0,1,0,0,0,0|2,0,1]=4 1644 B11R1.17 [13CH3]OCCc1ccccc1F 7a_100000753711_200025704644 [0,1,0,0,0,0|2,0,1]=4 1645 B11R1.17 [13CH3]OCCc1ccccc1I 34a_100010255290_200025704644 [0,1,0,0,0,0|2,0,1]=4 1646 B11R1.17 [13CH3]OCCc1ccccc1I 7a_100010255290_200025704644 [0,1,0,0,0,0|2,0,1]=4 1647 B11R1.17 [13CH3]OCCc1ccccc1N 34a_100011215289_200025704644 [0,1,0,0,0,0|2,0,1]=4 1648 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_100012161201_200025704644 [0,1,0,0,0,0|2,0,1]=4 1649 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_200025704644_100012161201 [0,1,0,0,0,0|2,0,1]=4 1650 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_100011713703_200025704644 [0,1,0,0,0,0|2,0,1]=4 1651 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_200025704644_100011713703 [0,1,0,0,0,0|2,0,1]=4 1652 B11R1.17 [13CH3]SCCc1ccccc1F 62a_100011713696_200025704644 [0,1,0,0,0,0|2,0,1]=4 1653 B11R1.17 [13CH3]SCCc1ccccc1F 62a_200025704644_100011713696 [0,1,0,0,0,0|2,0,1]=4 1654 B11R1.17 [13CH3]SCCc1ccccc1O 62a_100000722297_200025704644 [0,1,0,0,0,0|2,0,1]=4 1655 B11R1.17 [13CH3]SCCc1ccccc1O 62a_200025704644_100000722297 [0,1,0,0,0,0|2,0,1]=4 1656 B11R1.17 [O-][n+]1ccccc1OCCF 7a_100000211761_100011217306 [0,1,0,0,0,0|2,0,1]=4 1657 B11R1.17 [O-][n+]1ccccc1OCCO 7a_100000211761_100000211926 [0,1,0,0,0,0|2,0,1]=4 1658 B11R1.24 C#CCNc1cccc(c1)Br 34a_100000210019_100000184674 [0,1,0,0,0,0|1,0,2]=4 1659 B11R1.24 C#CCNc1cccc(c1)C 2230a_100000188690_100000038162 [0,1,0,0,0,0|1,0,2]=4 1660 B11R1.24 C#CCNc1cccc(c1)C 34a_100000188690_100000184674 [0,1,0,0,0,0|1,0,2]=4 1661 B11R1.24 C#CCNc1cccc(c1)Cl 34a_100000185859_100000184674 [0,1,0,0,0,0|1,0,2]=4 1662 B11R1.24 C#CCNc1cccc(c1)F 34a_100000210047_100000184674 [0,1,0,0,0,0|1,0,2]=4 1663 B11R1.24 C#CCNc1cccc(c1)I 34a_100000211102_100000184674 [0,1,0,0,0,0|1,0,2]=4 1664 B11R1.24 C#CCNc1cccc(c1)O 34a_100000210217_100000184674 [0,1,0,0,0,0|1,0,2]=4 1665 B11R1.24 C#CCOc1cc[nH]c(=O)c1 34a_100000032262_100000184674 [0,1,0,0,0,0|1,0,2]=4 1666 B11R1.24 C#CCOc1ccc[n+](c1)[O-] 34a_100000039713_100000184674 [0,1,0,0,0,0|1,0,2]=4 1667 B11R1.24 C#CCOc1ccc[n+](c1)[O-] 7a_100000039713_100000038162 [0,1,0,0,0,0|1,0,2]=4 1668 B11R1.24 C#CCOc1cccc(=O)[nH]1 34a_100000033347_100000184674 [0,1,0,0,0,0|1,0,2]=4 1669 B11R1.24 C#CCOc1cccc(c1)Br 34a_100000210342_100000184674 [0,1,0,0,0,0|0,0,2]=3 1670 B11R1.24 C#CCOc1cccc(c1)Br 7a_100000210342_100000038162 [0,1,0,0,0,0|0,0,2]=3 1671 B11R1.24 C#CCOc1cccc(c1)C 34a_100000210337_100000184674 [0,1,0,0,0,0|0,0,2]=3 1672 B11R1.24 C#CCOc1cccc(c1)C 7a_100000210337_100000038162 [0,1,0,0,0,0|0,0,2]=3 1673 B11R1.24 C#CCOc1cccc(c1)Cl 34a_100000210295_100000184674 [0,1,0,0,0,0|0,0,2]=3 1674 B11R1.24 C#CCOc1cccc(c1)Cl 7a_100000210295_100000038162 [0,1,0,0,0,0|0,0,2]=3 1675 B11R1.24 C#CCOc1cccc(c1)F 34a_100000210426_100000184674 [0,1,0,0,0,0|0,0,2]=3 1676 B11R1.24 C#CCOc1cccc(c1)F 7a_100000210426_100000038162 [0,1,0,0,0,0|0,0,2]=3 1677 B11R1.24 C#CCOc1cccc(c1)I 34a_100000211634_100000184674 [0,1,0,0,0,0|0,0,2]=3 1678 B11R1.24 C#CCOc1cccc(c1)I 7a_100000211634_100000038162 [0,1,0,0,0,0|0,0,2]=3 1679 B11R1.24 C#CCOc1cccc(c1)N 34a_100000210217_100000184674 [0,1,0,0,0,0|0,0,2]=3 1680 B11R1.24 C#CCOc1cccc(n1)F 34a_100011432558_100000184674 [0,1,0,0,0,0|1,0,2]=4 1681 B11R1.24 C#CCOc1ccnc(c1)C 34a_100000688365_100000184674 [0,1,0,0,0,0|1,0,2]=4 1682 B11R1.24 C#CCOc1ccnc(c1)Cl 34a_100000762945_100000184674 [0,1,0,0,0,0|1,0,2]=4 1683 B11R1.24 C#CCOc1ccnc(c1)F 34a_100000732698_100000184674 [0,1,0,0,0,0|1,0,2]=4 1684 B11R1.24 C#CCOc1ccnc(c1)N 34a_100011834064_100000184674 [0,1,0,0,0,0|1,0,2]=4 1685 B11R1.24 C#CCOc1cncc(c1)Br 34a_100000754920_100000184674 [0,1,0,0,0,0|1,0,2]=4 1686 B11R1.24 C#CCOc1cncc(c1)Br 7a_100000754920_100000038162 [0,1,0,0,0,0|1,0,2]=4 1687 B11R1.24 C#CCOc1cncc(c1)C 34a_100011830280_100000184674 [0,1,0,0,0,0|1,0,2]=4 1688 B11R1.24 C#CCOc1cncc(c1)C 7a_100011830280_100000038162 [0,1,0,0,0,0|1,0,2]=4 1689 B11R1.24 C#CCOc1cncc(c1)Cl 7a_100000032511_100000038162 [0,1,0,0,0,0|1,0,2]=4 1690 B11R1.24 C#CCOc1cncc(c1)F 34a_100011830296_100000184674 [0,1,0,0,0,0|1,0,2]=4 1691 B11R1.24 C#CCOc1cncc(c1)F 7a_100011830296_100000038162 [0,1,0,0,0,0|1,0,2]=4 1692 B11R1.24 C#CCOc1cncc(c1)N 34a_100011997051_100000184674 [0,1,0,0,0,0|1,0,2]=4 1693 B11R1.24 C#CCSc1cccc(c1)Br 62a_100000038162_100000691529 [0,1,0,0,0,0|0,1,2]=4 1694 B11R1.24 C#CCSc1cccc(c1)C 62a_100000038162_100011215228 [0,1,0,0,0,0|0,1,2]=4 1695 B11R1.24 C#CCSc1cccc(c1)Cl 62a_100000038162_100000699651 [0,1,0,0,0,0|0,1,2]=4 1696 B11R1.24 C#CCSc1cccc(c1)F 62a_100000038162_100000685547 [0,1,0,0,0,0|0,1,2]=4 1697 B11R1.24 C#CCSc1cccc(c1)N 62a_100000038162_100000210019 [0,1,0,0,0,0|0,1,2]=4 1698 B11R1.24 C#CCSc1cccc(c1)O 62a_100000038162_100000211634 [0,1,0,0,0,0|0,1,2]=4 1699 B11R1.24 C#CCSc1cccc(c1)[S] 62a_100000038162_114929384022 [0,1,0,0,0,0|0,1,2]=4 1700 B11R1.24 C=CCNc1c[n+](ccn1)[O-] 27a_100020586998_100009880115 [0,1,0,0,0,0|3,0,0]=4 1701 B11R1.24 C=CCNc1cc(ccn1)F 27a_100020586998_100000764206 [0,1,0,0,0,0|2,0,0]=3 1702 B11R1.24 C=CCNc1cc(cnn1)C 27a_100020586998_100000070100 [0,1,0,0,0,0|3,0,0]=4 1703 B11R1.24 C=CCNc1cc(ncn1)C 27a_100020586998_100000744208 [0,1,0,0,0,0|3,0,0]=4 1704 B11R1.24 C=CCNc1cc(ncn1)F 27a_100020586998_200009880791 [0,1,0,0,0,0|3,0,0]=4 1705 B11R1.24 C=CCNc1cc(ncn1)N 27a_100020586998_100000701291 [0,1,0,0,0,0|3,0,0]=4 1706 B11R1.24 C=CCNc1cc(ncn1)O 27a_100020586998_100000765262 [0,1,0,0,0,0|3,0,0]=4 1707 B11R1.24 C=CCNc1cc[nH]c(=O)c1 27a_100020586998_100000061649 [0,1,0,0,0,0|2,0,0]=3 1708 B11R1.24 C=CCNc1cc[nH]c(=O)n1 27a_100020586998_200000134032 [0,1,0,0,0,0|3,0,0]=4 1709 B11R1.24 C=CCNc1cccc(c1)Br 34a_100000210019_100015514636 [0,1,0,0,0,0|1,0,0]=2 1710 B11R1.24 C=CCNc1cccc(c1)C 2230a_100000188690_100000210623 [0,1,0,0,0,0|1,0,0]=2 1711 B11R1.24 C=CCNc1cccc(c1)C 34a_100000188690_100015514636 [0,1,0,0,0,0|1,0,0]=2 1712 B11R1.24 C=CCNc1cccc(c1)Cl 34a_100000185859_100015514636 [0,1,0,0,0,0|1,0,0]=2 1713 B11R1.24 C=CCNc1cccc(c1)F 34a_100000210047_100015514636 [0,1,0,0,0,0|1,0,0]=2 1714 B11R1.24 C=CCNc1cccc(c1)I 34a_100000211102_100015514636 [0,1,0,0,0,0|1,0,0]=2 1715 B11R1.24 C=CCNc1cccc(c1)O 34a_100000210217_100015514636 [0,1,0,0,0,0|1,0,0]=2 1716 B11R1.24 C=CCNc1cccc(n1)F 27a_100020586998_100009815982 [0,1,0,0,0,0|2,0,0]=3 1717 B11R1.24 C=CCNc1ccnc(c1)C 27a_100020586998_100000758586 [0,1,0,0,0,0|2,0,0]=3 1718 B11R1.24 C=CCNc1ccnc(c1)F 27a_100020586998_100009816116 [0,1,0,0,0,0|2,0,0]=3 1719 B11R1.24 C=CCNc1ccnc(n1)C 27a_100020586998_100000749937 [0,1,0,0,0,0|3,0,0]=4 1720 B11R1.24 C=CCNc1ccnc(n1)N 27a_100020586998_100000055538 [0,1,0,0,0,0|3,0,0]=4 1721 B11R1.24 C=CCNc1cncc(n1)C 27a_100020586998_100000754123 [0,1,0,0,0,0|3,0,0]=4 1722 B11R1.24 C=CCNc1cncc(n1)Cl 27a_100020586998_100010892449 [0,1,0,0,0,0|3,0,0]=4 1723 B11R1.24 C=CCNc1cncc(n1)F 27a_100020586998_200009863489 [0,1,0,0,0,0|3,0,0]=4 1724 B11R1.24 C=CCNc1nccc(n1)C 27a_100020586998_100000750684 [0,1,0,0,0,0|3,0,0]=4 1725 B11R1.24 C=CCNc1nccc(n1)N 27a_100020586998_100000757536 [0,1,0,0,0,0|3,0,0]=4 1726 B11R1.24 C=CCNc1nccc(n1)O 27a_100020586998_100011649813 [0,1,0,0,0,0|3,0,0]=4 1727 B11R1.24 C=CCOc1cc(cnn1)C 34a_100000766097_100015514636 [0,1,0,0,0,0|2,0,0]=3 1728 B11R1.24 C=CCOc1cc[nH]c(=O)c1 34a_100000032262_100015514636 [0,1,0,0,0,0|1,0,0]=2 1729 B11R1.24 C=CCOc1ccc[n+](c1)[O-] 34a_100000039713_100015514636 [0,1,0,0,0,0|1,0,0]=2 1730 B11R1.24 C=CCOc1ccc[n+](c1)[O-] 7a_100000039713_100015514636 [0,1,0,0,0,0|1,0,0]=2 1731 B11R1.24 C=CCOc1cccc(=O)[nH]1 34a_100000033347_100015514636 [0,1,0,0,0,0|1,0,0]=2 1732 B11R1.24 C=CCOc1cccc(c1)Br 34a_100000210342_100015514636 [0,1,0,0,0,0|0,0,0]=1 1733 B11R1.24 C=CCOc1cccc(c1)Br 7a_100000210342_100015514636 [0,1,0,0,0,0|0,0,0]=1 1734 B11R1.24 C=CCOc1cccc(c1)C 34a_100000210337_100015514636 [0,1,0,0,0,0|0,0,0]=1 1735 B11R1.24 C=CCOc1cccc(c1)C 7a_100000210337_100015514636 [0,1,0,0,0,0|0,0,0]=1 1736 B11R1.24 C=CCOc1cccc(c1)Cl 34a_100000210295_100015514636 [0,1,0,0,0,0|0,0,0]=1 1737 B11R1.24 C=CCOc1cccc(c1)Cl 7a_100000210295_100015514636 [0,1,0,0,0,0|0,0,0]=1 1738 B11R1.24 C=CCOc1cccc(c1)F 34a_100000210426_100015514636 [0,1,0,0,0,0|0,0,0]=1 1739 B11R1.24 C=CCOc1cccc(c1)F 7a_100000210426_100015514636 [0,1,0,0,0,0|0,0,0]=1 1740 B11R1.24 C=CCOc1cccc(c1)I 34a_100000211634_100015514636 [0,1,0,0,0,0|0,0,0]=1 1741 B11R1.24 C=CCOc1cccc(c1)I 7a_100000211634_100015514636 [0,1,0,0,0,0|0,0,0]=1 1742 B11R1.24 C=CCOc1cccc(c1)N 34a_100000210217_100015514636 [0,1,0,0,0,0|0,0,0]=1 1743 B11R1.24 C=CCOc1cccc(n1)F 34a_100011432558_100015514636 [0,1,0,0,0,0|1,0,0]=2 1744 B11R1.24 C=CCOc1ccnc(c1)C 34a_100000688365_100015514636 [0,1,0,0,0,0|1,0,0]=2 1745 B11R1.24 C=CCOc1ccnc(c1)Cl 34a_100000762945_100015514636 [0,1,0,0,0,0|1,0,0]=2 1746 B11R1.24 C=CCOc1ccnc(c1)F 34a_100000732698_100015514636 [0,1,0,0,0,0|1,0,0]=2 1747 B11R1.24 C=CCOc1ccnc(c1)N 34a_100011834064_100015514636 [0,1,0,0,0,0|1,0,0]=2 1748 B11R1.24 C=CCOc1cncc(c1)Br 34a_100000754920_100015514636 [0,1,0,0,0,0|1,0,0]=2 1749 B11R1.24 C=CCOc1cncc(c1)Br 7a_100000754920_100015514636 [0,1,0,0,0,0|1,0,0]=2 1750 B11R1.24 C=CCOc1cncc(c1)C 34a_100011830280_100015514636 [0,1,0,0,0,0|1,0,0]=2 1751 B11R1.24 C=CCOc1cncc(c1)C 7a_100011830280_100015514636 [0,1,0,0,0,0|1,0,0]=2 1752 B11R1.24 C=CCOc1cncc(c1)Cl 7a_100000032511_100015514636 [0,1,0,0,0,0|1,0,0]=2 1753 B11R1.24 C=CCOc1cncc(c1)F 34a_100011830296_100015514636 [0,1,0,0,0,0|1,0,0]=2 1754 B11R1.24 C=CCOc1cncc(c1)F 7a_100011830296_100015514636 [0,1,0,0,0,0|1,0,0]=2 1755 B11R1.24 C=CCOc1cncc(c1)N 34a_100011997051_100015514636 [0,1,0,0,0,0|1,0,0]=2 1756 B11R1.24 C=CCOc1cnnc(c1)Cl 34a_200010734679_100015514636 [0,1,0,0,0,0|2,0,0]=3 1757 B11R1.24 C=CCOc1cnnc(c1)N 34a_200015193112_100015514636 [0,1,0,0,0,0|2,0,0]=3 1758 B11R1.24 C=CCSc1c[n+](ccn1)[O-] 62a_100000210623_100009880115 [0,1,0,0,0,0|2,1,0]=4 1759 B11R1.24 C=CCSc1cc(=O)[nH]cn1 62a_100012002517_100000210623 [0,1,0,0,0,0|2,1,0]=4 1760 B11R1.24 C=CCSc1cc(=O)cc[nH]1 62a_100009817434_100000210623 [0,1,0,0,0,0|1,1,0]=3 1761 B11R1.24 C=CCSc1cc(ccn1)C 62a_100000210623_100000750283 [0,1,0,0,0,0|1,1,0]=3 1762 B11R1.24 C=CCSc1cc(ccn1)C 62a_100000750283_100000210623 [0,1,0,0,0,0|1,1,0]=3 1763 B11R1.24 C=CCSc1cc(ccn1)Cl 62a_100000210623_100010167805 [0,1,0,0,0,0|1,1,0]=3 1764 B11R1.24 C=CCSc1cc(ccn1)Cl 62a_100010167805_100000210623 [0,1,0,0,0,0|1,1,0]=3 1765 B11R1.24 C=CCSc1cc(ccn1)F 62a_100000210623_100000764206 [0,1,0,0,0,0|1,1,0]=3 1766 B11R1.24 C=CCSc1cc(ccn1)F 62a_100000764206_100000210623 [0,1,0,0,0,0|1,1,0]=3 1767 B11R1.24 C=CCSc1cc(ccn1)N 62a_100000210623_100009814236 [0,1,0,0,0,0|1,1,0]=3 1768 B11R1.24 C=CCSc1cc(ccn1)N 62a_100009814236_100000210623 [0,1,0,0,0,0|1,1,0]=3 1769 B11R1.24 C=CCSc1cc(ccn1)O 62a_100000210623_100000762945 [0,1,0,0,0,0|1,1,0]=3 1770 B11R1.24 C=CCSc1cc(cnn1)C 62a_100000070100_100000210623 [0,1,0,0,0,0|2,1,0]=4 1771 B11R1.24 C=CCSc1cc(cnn1)C 62a_100000210623_100000070100 [0,1,0,0,0,0|2,1,0]=4 1772 B11R1.24 C=CCSc1cc(cnn1)N 62a_100000210623_100011996757 [0,1,0,0,0,0|2,1,0]=4 1773 B11R1.24 C=CCSc1cc(cnn1)N 62a_100011996757_100000210623 [0,1,0,0,0,0|2,1,0]=4 1774 B11R1.24 C=CCSc1cc(cnn1)O 62a_100000210623_200010734679 [0,1,0,0,0,0|2,1,0]=4 1775 B11R1.24 C=CCSc1cc(ncn1)C 62a_100000210623_100000744208 [0,1,0,0,0,0|2,1,0]=4 1776 B11R1.24 C=CCSc1cc(ncn1)C 62a_100000744208_100000210623 [0,1,0,0,0,0|2,1,0]=4 1777 B11R1.24 C=CCSc1cc(ncn1)Cl 62a_100000210623_100010161198 [0,1,0,0,0,0|2,1,0]=4 1778 B11R1.24 C=CCSc1cc(ncn1)Cl 62a_100010161198_100000210623 [0,1,0,0,0,0|2,1,0]=4 1779 B11R1.24 C=CCSc1cc(ncn1)F 62a_100000210623_200009880791 [0,1,0,0,0,0|2,1,0]=4 1780 B11R1.24 C=CCSc1cc(ncn1)F 62a_200009880791_100000210623 [0,1,0,0,0,0|2,1,0]=4 1781 B11R1.24 C=CCSc1cc(ncn1)N 62a_100000210623_100000701291 [0,1,0,0,0,0|2,1,0]=4 1782 B11R1.24 C=CCSc1cc(ncn1)N 62a_100000701291_100000210623 [0,1,0,0,0,0|2,1,0]=4 1783 B11R1.24 C=CCSc1cc(ncn1)O 62a_100000210623_100000765262 [0,1,0,0,0,0|2,1,0]=4 1784 B11R1.24 C=CCSc1cc[nH]c(=O)c1 62a_100000210623_100009816521 [0,1,0,0,0,0|1,1,0]=3 1785 B11R1.24 C=CCSc1cc[nH]c(=O)c1 62a_100009816521_100000210623 [0,1,0,0,0,0|1,1,0]=3 1786 B11R1.24 C=CCSc1cc[nH]c(=O)n1 62a_100000210623_200000134032 [0,1,0,0,0,0|2,1,0]=4 1787 B11R1.24 C=CCSc1ccc[n+](c1)C 62a_100000210623_100009996589 [0,1,0,0,0,0|1,1,0]=3 1788 B11R1.24 C=CCSc1ccc[n+](c1)C 62a_100009996589_100000210623 [0,1,0,0,0,0|1,1,0]=3 1789 B11R1.24 C=CCSc1ccc[n+](c1)[O-] 62a_100000210623_100009815978 [0,1,0,0,0,0|1,1,0]=3 1790 B11R1.24 C=CCSc1cccc(=O)[nH]1 62a_100000210623_100000752884 [0,1,0,0,0,0|1,1,0]=3 1791 B11R1.24 C=CCSc1cccc(c1)Br 62a_100000210623_100000691529 [0,1,0,0,0,0|0,1,0]=2 1792 B11R1.24 C=CCSc1cccc(c1)Br 62a_100000691529_100000210623 [0,1,0,0,0,0|0,1,0]=2 1793 B11R1.24 C=CCSc1cccc(c1)C 62a_100000210623_100011215228 [0,1,0,0,0,0|0,1,0]=2 1794 B11R1.24 C=CCSc1cccc(c1)C 62a_100011215228_100000210623 [0,1,0,0,0,0|0,1,0]=2 1795 B11R1.24 C=CCSc1cccc(c1)Cl 62a_100000210623_100000699651 [0,1,0,0,0,0|0,1,0]=2 1796 B11R1.24 C=CCSc1cccc(c1)Cl 62a_100000699651_100000210623 [0,1,0,0,0,0|0,1,0]=2 1797 B11R1.24 C=CCSc1cccc(c1)F 62a_100000210623_100000685547 [0,1,0,0,0,0|0,1,0]=2 1798 B11R1.24 C=CCSc1cccc(c1)F 62a_100000685547_100000210623 [0,1,0,0,0,0|0,1,0]=2 1799 B11R1.24 C=CCSc1cccc(c1)N 62a_100000210019_100000210623 [0,1,0,0,0,0|0,1,0]=2 1800 B11R1.24 C=CCSc1cccc(c1)N 62a_100000210623_100000210019 [0,1,0,0,0,0|0,1,0]=2 1801 B11R1.24 C=CCSc1cccc(c1)O 62a_100000210623_100000211634 [0,1,0,0,0,0|0,1,0]=2 1802 B11R1.24 C=CCSc1cccc(c1)[S] 62a_100000210623_114929384022 [0,1,0,0,0,0|0,1,0]=2 1803 B11R1.24 C=CCSc1cccc(c1)[S] 62a_114929384022_100000210623 [0,1,0,0,0,0|0,1,0]=2 1804 B11R1.24 C=CCSc1cccc(n1)Br 62a_100000210623_100000684672 [0,1,0,0,0,0|1,1,0]=3 1805 B11R1.24 C=CCSc1cccc(n1)Br 62a_100000684672_100000210623 [0,1,0,0,0,0|1,1,0]=3 1806 B11R1.24 C=CCSc1cccc(n1)C 62a_100000210623_100000742759 [0,1,0,0,0,0|1,1,0]=3 1807 B11R1.24 C=CCSc1cccc(n1)C 62a_100000742759_100000210623 [0,1,0,0,0,0|1,1,0]=3 1808 B11R1.24 C=CCSc1cccc(n1)Cl 62a_100000051397_100000210623 [0,1,0,0,0,0|1,1,0]=3 1809 B11R1.24 C=CCSc1cccc(n1)Cl 62a_100000210623_100000051397 [0,1,0,0,0,0|1,1,0]=3 1810 B11R1.24 C=CCSc1cccc(n1)F 62a_100000210623_100009815982 [0,1,0,0,0,0|1,1,0]=3 1811 B11R1.24 C=CCSc1cccc(n1)F 62a_100009815982_100000210623 [0,1,0,0,0,0|1,1,0]=3 1812 B11R1.24 C=CCSc1cccc(n1)N 62a_100000210623_100000740741 [0,1,0,0,0,0|1,1,0]=3 1813 B11R1.24 C=CCSc1cccc(n1)N 62a_100000740741_100000210623 [0,1,0,0,0,0|1,1,0]=3 1814 B11R1.24 C=CCSc1ccnc(c1)Br 62a_100000210623_100009814637 [0,1,0,0,0,0|1,1,0]=3 1815 B11R1.24 C=CCSc1ccnc(c1)Br 62a_100009814637_100000210623 [0,1,0,0,0,0|1,1,0]=3 1816 B11R1.24 C=CCSc1ccnc(c1)C 62a_100000210623_100000758586 [0,1,0,0,0,0|1,1,0]=3 1817 B11R1.24 C=CCSc1ccnc(c1)C 62a_100000758586_100000210623 [0,1,0,0,0,0|1,1,0]=3 1818 B11R1.24 C=CCSc1ccnc(c1)Cl 62a_100000035001_100000210623 [0,1,0,0,0,0|1,1,0]=3 1819 B11R1.24 C=CCSc1ccnc(c1)Cl 62a_100000210623_100000035001 [0,1,0,0,0,0|1,1,0]=3 1820 B11R1.24 C=CCSc1ccnc(c1)F 62a_100000210623_100009816116 [0,1,0,0,0,0|1,1,0]=3 1821 B11R1.24 C=CCSc1ccnc(c1)F 62a_100009816116_100000210623 [0,1,0,0,0,0|1,1,0]=3 1822 B11R1.24 C=CCSc1ccnc(c1)N 62a_100000049665_100000210623 [0,1,0,0,0,0|1,1,0]=3 1823 B11R1.24 C=CCSc1ccnc(c1)N 62a_100000210623_100000049665 [0,1,0,0,0,0|1,1,0]=3 1824 B11R1.24 C=CCSc1ccnc(n1)C 62a_100000210623_100000749937 [0,1,0,0,0,0|2,1,0]=4 1825 B11R1.24 C=CCSc1ccnc(n1)C 62a_100000749937_100000210623 [0,1,0,0,0,0|2,1,0]=4 1826 B11R1.24 C=CCSc1ccnc(n1)Cl 62a_100000210623_100010154678 [0,1,0,0,0,0|2,1,0]=4 1827 B11R1.24 C=CCSc1ccnc(n1)Cl 62a_100010154678_100000210623 [0,1,0,0,0,0|2,1,0]=4 1828 B11R1.24 C=CCSc1ccnc(n1)N 62a_100000055538_100000210623 [0,1,0,0,0,0|2,1,0]=4 1829 B11R1.24 C=CCSc1ccnc(n1)N 62a_100000210623_100000055538 [0,1,0,0,0,0|2,1,0]=4 1830 B11R1.24 C=CCSc1cn[nH]c(=O)c1 62a_100000210623_100010197405 [0,1,0,0,0,0|2,1,0]=4 1831 B11R1.24 C=CCSc1cncc(c1)Br 62a_100000210623_100000728054 [0,1,0,0,0,0|1,1,0]=3 1832 B11R1.24 C=CCSc1cncc(c1)Br 62a_100000728054_100000210623 [0,1,0,0,0,0|1,1,0]=3 1833 B11R1.24 C=CCSc1cncc(c1)C 62a_100000210623_100000760492 [0,1,0,0,0,0|1,1,0]=3 1834 B11R1.24 C=CCSc1cncc(c1)C 62a_100000760492_100000210623 [0,1,0,0,0,0|1,1,0]=3 1835 B11R1.24 C=CCSc1cncc(c1)Cl 62a_100000049639_100000210623 [0,1,0,0,0,0|1,1,0]=3 1836 B11R1.24 C=CCSc1cncc(c1)Cl 62a_100000210623_100000049639 [0,1,0,0,0,0|1,1,0]=3 1837 B11R1.24 C=CCSc1cncc(c1)F 62a_100000210623_100000744099 [0,1,0,0,0,0|1,1,0]=3 1838 B11R1.24 C=CCSc1cncc(c1)F 62a_100000744099_100000210623 [0,1,0,0,0,0|1,1,0]=3 1839 B11R1.24 C=CCSc1cncc(c1)N 62a_100000210623_100000687067 [0,1,0,0,0,0|1,1,0]=3 1840 B11R1.24 C=CCSc1cncc(c1)N 62a_100000687067_100000210623 [0,1,0,0,0,0|1,1,0]=3 1841 B11R1.24 C=CCSc1cncc(c1)O 62a_100000210623_100000754920 [0,1,0,0,0,0|1,1,0]=3 1842 B11R1.24 C=CCSc1cncc(c1)O 62a_100000754920_100000210623 [0,1,0,0,0,0|1,1,0]=3 1843 B11R1.24 C=CCSc1cncc(n1)C 62a_100000210623_100000754123 [0,1,0,0,0,0|2,1,0]=4 1844 B11R1.24 C=CCSc1cncc(n1)C 62a_100000754123_100000210623 [0,1,0,0,0,0|2,1,0]=4 1845 B11R1.24 C=CCSc1cncc(n1)Cl 62a_100000210623_100010892449 [0,1,0,0,0,0|2,1,0]=4 1846 B11R1.24 C=CCSc1cncc(n1)Cl 62a_100010892449_100000210623 [0,1,0,0,0,0|2,1,0]=4 1847 B11R1.24 C=CCSc1cncc(n1)F 62a_100000210623_200009863489 [0,1,0,0,0,0|2,1,0]=4 1848 B11R1.24 C=CCSc1cncc(n1)F 62a_200009863489_100000210623 [0,1,0,0,0,0|2,1,0]=4 1849 B11R1.24 C=CCSc1cncc(n1)N 62a_100000210623_100000747728 [0,1,0,0,0,0|2,1,0]=4 1850 B11R1.24 C=CCSc1cncc(n1)N 62a_100000747728_100000210623 [0,1,0,0,0,0|2,1,0]=4 1851 B11R1.24 C=CCSc1cncc(n1)O 62a_100000210623_100011269956 [0,1,0,0,0,0|2,1,0]=4 1852 B11R1.24 C=CCSc1cnnc(c1)N 62a_100000130277_100000210623 [0,1,0,0,0,0|2,1,0]=4 1853 B11R1.24 C=CCSc1cnnc(c1)N 62a_100000210623_100000130277 [0,1,0,0,0,0|2,1,0]=4 1854 B11R1.24 C=CCSc1nccc(n1)C 62a_100000210623_100011243806 [0,1,0,0,0,0|2,1,0]=4 1855 B11R1.24 C=CCSc1nccc(n1)C 62a_100011243806_100000210623 [0,1,0,0,0,0|2,1,0]=4 1856 B11R1.24 C=CCSc1nccc(n1)N 62a_100000210623_100000757536 [0,1,0,0,0,0|2,1,0]=4 1857 B11R1.24 C=CCSc1nccc(n1)N 62a_100000757536_100000210623 [0,1,0,0,0,0|2,1,0]=4 1858 B11R1.24 C=CCSc1nccc(n1)O 62a_100000210623_100011649813 [0,1,0,0,0,0|2,1,0]=4 1859 B11R1.24 CC=NNc1cccc(c1)Br 4a_100000217339_200000210099 [0,1,0,0,0,0|2,0,1]=4 1860 B11R1.24 CC=NNc1cccc(c1)C 4a_100000681630_200000210099 [0,1,0,0,0,0|2,0,1]=4 1861 B11R1.24 CC=NNc1cccc(c1)Cl 4a_100000184277_200000210099 [0,1,0,0,0,0|2,0,1]=4 1862 B11R1.24 CC=NNc1cccc(c1)F 4a_100000745080_200000210099 [0,1,0,0,0,0|2,0,1]=4 1863 B11R1.24 CC=NNc1cccc(c1)I 4a_100020605690_200000210099 [0,1,0,0,0,0|2,0,1]=4 1864 B11R1.24 CCCCc1cccc(c1)Br 271570a_100020621405_100000691529 [0,1,0,0,0,0|1,0,2]=4 1865 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [0,1,0,0,0,0|1,0,2]=4 1866 B11R1.24 CCCCc1cccc(c1)Cl 271570a_100020621405_100000699651 [0,1,0,0,0,0|1,0,2]=4 1867 B11R1.24 CCCCc1cccc(c1)F 271570a_100020621405_100000685547 [0,1,0,0,0,0|1,0,2]=4 1868 B11R1.24 CCCCc1cccc(c1)N 271570a_100020621405_100000210019 [0,1,0,0,0,0|1,0,2]=4 1869 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [0,1,0,0,0,0|1,0,2]=4 1870 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [0,1,0,0,0,0|1,0,2]=4 1871 B11R1.24 CCCCc1cccc(c1)[S] 271570a_100020621405_114929384022 [0,1,0,0,0,0|1,0,2]=4 1872 B11R1.24 CCCNc1cccc(c1)Br 34a_100000210019_100000210303 [0,1,0,0,0,0|1,0,2]=4 1873 B11R1.24 CCCNc1cccc(c1)C 2230a_100000188690_100000210303 [0,1,0,0,0,0|1,0,2]=4 1874 B11R1.24 CCCNc1cccc(c1)C 34a_100000188690_100000210303 [0,1,0,0,0,0|1,0,2]=4 1875 B11R1.24 CCCNc1cccc(c1)Cl 34a_100000185859_100000210303 [0,1,0,0,0,0|1,0,2]=4 1876 B11R1.24 CCCNc1cccc(c1)F 34a_100000210047_100000210303 [0,1,0,0,0,0|1,0,2]=4 1877 B11R1.24 CCCNc1cccc(c1)I 34a_100000211102_100000210303 [0,1,0,0,0,0|1,0,2]=4 1878 B11R1.24 CCCNc1cccc(c1)O 34a_100000210217_100000210303 [0,1,0,0,0,0|1,0,2]=4 1879 B11R1.24 CCCOc1cc[nH]c(=O)c1 34a_100000032262_100000210303 [0,1,0,0,0,0|1,0,2]=4 1880 B11R1.24 CCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000210303 [0,1,0,0,0,0|1,0,2]=4 1881 B11R1.24 CCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000210303 [0,1,0,0,0,0|1,0,2]=4 1882 B11R1.24 CCCOc1cccc(=O)[nH]1 34a_100000033347_100000210303 [0,1,0,0,0,0|1,0,2]=4 1883 B11R1.24 CCCOc1cccc(c1)Br 34a_100000210342_100000210303 [0,1,0,0,0,0|0,0,2]=3 1884 B11R1.24 CCCOc1cccc(c1)Br 7a_100000210342_100000210303 [0,1,0,0,0,0|0,0,2]=3 1885 B11R1.24 CCCOc1cccc(c1)C 34a_100000210337_100000210303 [0,1,0,0,0,0|0,0,2]=3 1886 B11R1.24 CCCOc1cccc(c1)C 7a_100000210337_100000210303 [0,1,0,0,0,0|0,0,2]=3 1887 B11R1.24 CCCOc1cccc(c1)Cl 34a_100000210295_100000210303 [0,1,0,0,0,0|0,0,2]=3 1888 B11R1.24 CCCOc1cccc(c1)Cl 7a_100000210295_100000210303 [0,1,0,0,0,0|0,0,2]=3 1889 B11R1.24 CCCOc1cccc(c1)F 34a_100000210426_100000210303 [0,1,0,0,0,0|0,0,2]=3 1890 B11R1.24 CCCOc1cccc(c1)F 7a_100000210426_100000210303 [0,1,0,0,0,0|0,0,2]=3 1891 B11R1.24 CCCOc1cccc(c1)I 34a_100000211634_100000210303 [0,1,0,0,0,0|0,0,2]=3 1892 B11R1.24 CCCOc1cccc(c1)I 7a_100000211634_100000210303 [0,1,0,0,0,0|0,0,2]=3 1893 B11R1.24 CCCOc1cccc(c1)N 34a_100000210217_100000210303 [0,1,0,0,0,0|0,0,2]=3 1894 B11R1.24 CCCOc1cccc(c1)O 271570a_203496583355_100000170004 [0,1,0,0,0,0|0,0,2]=3 1895 B11R1.24 CCCOc1cccc(n1)F 34a_100011432558_100000210303 [0,1,0,0,0,0|1,0,2]=4 1896 B11R1.24 CCCOc1cccc(n1)O 271570a_203496583355_200011960250 [0,1,0,0,0,0|1,0,2]=4 1897 B11R1.24 CCCOc1ccnc(c1)C 34a_100000688365_100000210303 [0,1,0,0,0,0|1,0,2]=4 1898 B11R1.24 CCCOc1ccnc(c1)Cl 34a_100000762945_100000210303 [0,1,0,0,0,0|1,0,2]=4 1899 B11R1.24 CCCOc1ccnc(c1)F 34a_100000732698_100000210303 [0,1,0,0,0,0|1,0,2]=4 1900 B11R1.24 CCCOc1ccnc(c1)N 34a_100011834064_100000210303 [0,1,0,0,0,0|1,0,2]=4 1901 B11R1.24 CCCOc1cncc(c1)Br 34a_100000754920_100000210303 [0,1,0,0,0,0|1,0,2]=4 1902 B11R1.24 CCCOc1cncc(c1)Br 7a_100000754920_100000210303 [0,1,0,0,0,0|1,0,2]=4 1903 B11R1.24 CCCOc1cncc(c1)C 34a_100011830280_100000210303 [0,1,0,0,0,0|1,0,2]=4 1904 B11R1.24 CCCOc1cncc(c1)C 7a_100011830280_100000210303 [0,1,0,0,0,0|1,0,2]=4 1905 B11R1.24 CCCOc1cncc(c1)Cl 7a_100000032511_100000210303 [0,1,0,0,0,0|1,0,2]=4 1906 B11R1.24 CCCOc1cncc(c1)F 34a_100011830296_100000210303 [0,1,0,0,0,0|1,0,2]=4 1907 B11R1.24 CCCOc1cncc(c1)F 7a_100011830296_100000210303 [0,1,0,0,0,0|1,0,2]=4 1908 B11R1.24 CCCOc1cncc(c1)N 34a_100011997051_100000210303 [0,1,0,0,0,0|1,0,2]=4 1909 B11R1.24 CCCOc1cncc(c1)O 271570a_203496583355_200012029621 [0,1,0,0,0,0|1,0,2]=4 1910 B11R1.24 CCCSc1cccc(c1)Br 62a_100000210303_100000691529 [0,1,0,0,0,0|0,1,2]=4 1911 B11R1.24 CCCSc1cccc(c1)Br 62a_100000691529_100000210303 [0,1,0,0,0,0|0,1,2]=4 1912 B11R1.24 CCCSc1cccc(c1)C 62a_100000210303_100011215228 [0,1,0,0,0,0|0,1,2]=4 1913 B11R1.24 CCCSc1cccc(c1)C 62a_100011215228_100000210303 [0,1,0,0,0,0|0,1,2]=4 1914 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000210303_100000699651 [0,1,0,0,0,0|0,1,2]=4 1915 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000699651_100000210303 [0,1,0,0,0,0|0,1,2]=4 1916 B11R1.24 CCCSc1cccc(c1)F 62a_100000210303_100000685547 [0,1,0,0,0,0|0,1,2]=4 1917 B11R1.24 CCCSc1cccc(c1)F 62a_100000685547_100000210303 [0,1,0,0,0,0|0,1,2]=4 1918 B11R1.24 CCCSc1cccc(c1)N 62a_100000210019_100000210303 [0,1,0,0,0,0|0,1,2]=4 1919 B11R1.24 CCCSc1cccc(c1)N 62a_100000210303_100000210019 [0,1,0,0,0,0|0,1,2]=4 1920 B11R1.24 CCCSc1cccc(c1)O 271570a_203496583355_200009815762 [0,1,0,0,0,0|0,1,2]=4 1921 B11R1.24 CCCSc1cccc(c1)O 62a_100000210303_100000211634 [0,1,0,0,0,0|0,1,2]=4 1922 B11R1.24 CCCSc1cccc(c1)[S] 62a_100000210303_114929384022 [0,1,0,0,0,0|0,1,2]=4 1923 B11R1.24 CCCSc1cccc(c1)[S] 62a_114929384022_100000210303 [0,1,0,0,0,0|0,1,2]=4 1924 B11R1.24 CNCCc1cccc(c1)Br 2230a_100011207229_200000210301 [0,1,0,0,0,0|2,0,1]=4 1925 B11R1.24 CNCCc1cccc(c1)Br 2230a_106832991635_100011740638 [0,1,0,0,0,0|2,0,1]=4 1926 B11R1.24 CNCCc1cccc(c1)Br 34a_100011207229_200000210301 [0,1,0,0,0,0|2,0,1]=4 1927 B11R1.24 CNCCc1cccc(c1)Br 34a_100102657272_100011740638 [0,1,0,0,0,0|2,0,1]=4 1928 B11R1.24 CNCCc1cccc(c1)Br 7a_106832991635_100011740638 [0,1,0,0,0,0|2,0,1]=4 1929 B11R1.24 CNCCc1cccc(c1)C 2230a_100000749837_200000210301 [0,1,0,0,0,0|2,0,1]=4 1930 B11R1.24 CNCCc1cccc(c1)C 2230a_106832991635_100011713685 [0,1,0,0,0,0|2,0,1]=4 1931 B11R1.24 CNCCc1cccc(c1)C 34a_100000749837_200000210301 [0,1,0,0,0,0|2,0,1]=4 1932 B11R1.24 CNCCc1cccc(c1)C 34a_100102657272_100011713685 [0,1,0,0,0,0|2,0,1]=4 1933 B11R1.24 CNCCc1cccc(c1)C 7a_106832991635_100011713685 [0,1,0,0,0,0|2,0,1]=4 1934 B11R1.24 CNCCc1cccc(c1)Cl 2230a_100000185263_200000210301 [0,1,0,0,0,0|2,0,1]=4 1935 B11R1.24 CNCCc1cccc(c1)Cl 2230a_106832991635_100011713710 [0,1,0,0,0,0|2,0,1]=4 1936 B11R1.24 CNCCc1cccc(c1)Cl 34a_100000185263_200000210301 [0,1,0,0,0,0|2,0,1]=4 1937 B11R1.24 CNCCc1cccc(c1)Cl 34a_100102657272_100011713710 [0,1,0,0,0,0|2,0,1]=4 1938 B11R1.24 CNCCc1cccc(c1)Cl 7a_106832991635_100011713710 [0,1,0,0,0,0|2,0,1]=4 1939 B11R1.24 CNCCc1cccc(c1)F 2230a_100000205154_200000210301 [0,1,0,0,0,0|2,0,1]=4 1940 B11R1.24 CNCCc1cccc(c1)F 2230a_106832991635_100011217235 [0,1,0,0,0,0|2,0,1]=4 1941 B11R1.24 CNCCc1cccc(c1)F 34a_100000205154_200000210301 [0,1,0,0,0,0|2,0,1]=4 1942 B11R1.24 CNCCc1cccc(c1)F 34a_100102657272_100011217235 [0,1,0,0,0,0|2,0,1]=4 1943 B11R1.24 CNCCc1cccc(c1)F 7a_106832991635_100011217235 [0,1,0,0,0,0|2,0,1]=4 1944 B11R1.24 CNCCc1cccc(c1)O 2230a_100000747277_200000210301 [0,1,0,0,0,0|2,0,1]=4 1945 B11R1.24 CNCCc1cccc(c1)O 34a_100000747277_200000210301 [0,1,0,0,0,0|2,0,1]=4 1946 B11R1.24 COCCc1cccc(c1)Br 34a_100011217444_200000210301 [0,1,0,0,0,0|2,0,1]=4 1947 B11R1.24 COCCc1cccc(c1)Br 34a_100138415774_100011740638 [0,1,0,0,0,0|2,0,1]=4 1948 B11R1.24 COCCc1cccc(c1)Br 7a_100011217444_200000210301 [0,1,0,0,0,0|2,0,1]=4 1949 B11R1.24 COCCc1cccc(c1)C 34a_100011217157_200000210301 [0,1,0,0,0,0|2,0,1]=4 1950 B11R1.24 COCCc1cccc(c1)C 34a_100138415774_100011713685 [0,1,0,0,0,0|2,0,1]=4 1951 B11R1.24 COCCc1cccc(c1)C 7a_100011217157_200000210301 [0,1,0,0,0,0|2,0,1]=4 1952 B11R1.24 COCCc1cccc(c1)Cl 34a_100000754733_200000210301 [0,1,0,0,0,0|2,0,1]=4 1953 B11R1.24 COCCc1cccc(c1)Cl 34a_100138415774_100011713710 [0,1,0,0,0,0|2,0,1]=4 1954 B11R1.24 COCCc1cccc(c1)Cl 7a_100000754733_200000210301 [0,1,0,0,0,0|2,0,1]=4 1955 B11R1.24 COCCc1cccc(c1)F 34a_100000763591_200000210301 [0,1,0,0,0,0|2,0,1]=4 1956 B11R1.24 COCCc1cccc(c1)F 34a_100138415774_100011217235 [0,1,0,0,0,0|2,0,1]=4 1957 B11R1.24 COCCc1cccc(c1)F 7a_100000763591_200000210301 [0,1,0,0,0,0|2,0,1]=4 1958 B11R1.24 COCCc1cccc(c1)N 34a_100011996697_200000210301 [0,1,0,0,0,0|2,0,1]=4 1959 B11R1.24 COCNc1cccc(c1)C 2230a_100000188690_100000766300 [0,1,0,0,0,0|2,0,1]=4 1960 B11R1.24 COCOc1cccc(c1)O 271570a_203496583355_100012265688 [0,1,0,0,0,0|1,0,1]=3 1961 B11R1.24 COCSc1cccc(c1)Br 62a_100000691529_100000766300 [0,1,0,0,0,0|1,1,1]=4 1962 B11R1.24 COCSc1cccc(c1)Br 62a_100000766300_100000691529 [0,1,0,0,0,0|1,1,1]=4 1963 B11R1.24 COCSc1cccc(c1)C 62a_100000766300_100011215228 [0,1,0,0,0,0|1,1,1]=4 1964 B11R1.24 COCSc1cccc(c1)C 62a_100011215228_100000766300 [0,1,0,0,0,0|1,1,1]=4 1965 B11R1.24 COCSc1cccc(c1)Cl 62a_100000699651_100000766300 [0,1,0,0,0,0|1,1,1]=4 1966 B11R1.24 COCSc1cccc(c1)Cl 62a_100000766300_100000699651 [0,1,0,0,0,0|1,1,1]=4 1967 B11R1.24 COCSc1cccc(c1)F 62a_100000685547_100000766300 [0,1,0,0,0,0|1,1,1]=4 1968 B11R1.24 COCSc1cccc(c1)F 62a_100000766300_100000685547 [0,1,0,0,0,0|1,1,1]=4 1969 B11R1.24 COCSc1cccc(c1)N 62a_100000210019_100000766300 [0,1,0,0,0,0|1,1,1]=4 1970 B11R1.24 COCSc1cccc(c1)N 62a_100000766300_100000210019 [0,1,0,0,0,0|1,1,1]=4 1971 B11R1.24 COCSc1cccc(c1)O 62a_100000766300_100000211634 [0,1,0,0,0,0|1,1,1]=4 1972 B11R1.24 COCSc1cccc(c1)[S] 62a_100000766300_114929384022 [0,1,0,0,0,0|1,1,1]=4 1973 B11R1.24 COCSc1cccc(c1)[S] 62a_114929384022_100000766300 [0,1,0,0,0,0|1,1,1]=4 1974 B11R1.24 CSCCc1cccc(c1)Br 62a_100011740638_200000210301 [0,1,0,0,0,0|2,0,1]=4 1975 B11R1.24 CSCCc1cccc(c1)Br 62a_200000210301_100011740638 [0,1,0,0,0,0|2,0,1]=4 1976 B11R1.24 CSCCc1cccc(c1)C 62a_100011713685_200000210301 [0,1,0,0,0,0|2,0,1]=4 1977 B11R1.24 CSCCc1cccc(c1)C 62a_200000210301_100011713685 [0,1,0,0,0,0|2,0,1]=4 1978 B11R1.24 CSCCc1cccc(c1)Cl 62a_100011713710_200000210301 [0,1,0,0,0,0|2,0,1]=4 1979 B11R1.24 CSCCc1cccc(c1)Cl 62a_200000210301_100011713710 [0,1,0,0,0,0|2,0,1]=4 1980 B11R1.24 CSCCc1cccc(c1)F 62a_100011217235_200000210301 [0,1,0,0,0,0|2,0,1]=4 1981 B11R1.24 CSCCc1cccc(c1)F 62a_200000210301_100011217235 [0,1,0,0,0,0|2,0,1]=4 1982 B11R1.24 CSCNc1cccc(c1)Br 34a_100000210019_100011218213 [0,1,0,0,0,0|2,0,1]=4 1983 B11R1.24 CSCNc1cccc(c1)C 2230a_100000188690_100011218213 [0,1,0,0,0,0|2,0,1]=4 1984 B11R1.24 CSCNc1cccc(c1)C 34a_100000188690_100011218213 [0,1,0,0,0,0|2,0,1]=4 1985 B11R1.24 CSCNc1cccc(c1)Cl 34a_100000185859_100011218213 [0,1,0,0,0,0|2,0,1]=4 1986 B11R1.24 CSCNc1cccc(c1)F 34a_100000210047_100011218213 [0,1,0,0,0,0|2,0,1]=4 1987 B11R1.24 CSCNc1cccc(c1)I 34a_100000211102_100011218213 [0,1,0,0,0,0|2,0,1]=4 1988 B11R1.24 CSCNc1cccc(c1)O 34a_100000210217_100011218213 [0,1,0,0,0,0|2,0,1]=4 1989 B11R1.24 CSCOc1cc[nH]c(=O)c1 34a_100000032262_100011218213 [0,1,0,0,0,0|2,0,1]=4 1990 B11R1.24 CSCOc1ccc[n+](c1)[O-] 34a_100000039713_100011218213 [0,1,0,0,0,0|2,0,1]=4 1991 B11R1.24 CSCOc1cccc(=O)[nH]1 34a_100000033347_100011218213 [0,1,0,0,0,0|2,0,1]=4 1992 B11R1.24 CSCOc1cccc(c1)Br 34a_100000210342_100011218213 [0,1,0,0,0,0|1,0,1]=3 1993 B11R1.24 CSCOc1cccc(c1)C 34a_100000210337_100011218213 [0,1,0,0,0,0|1,0,1]=3 1994 B11R1.24 CSCOc1cccc(c1)Cl 34a_100000210295_100011218213 [0,1,0,0,0,0|1,0,1]=3 1995 B11R1.24 CSCOc1cccc(c1)F 34a_100000210426_100011218213 [0,1,0,0,0,0|1,0,1]=3 1996 B11R1.24 CSCOc1cccc(c1)I 34a_100000211634_100011218213 [0,1,0,0,0,0|1,0,1]=3 1997 B11R1.24 CSCOc1cccc(c1)N 34a_100000210217_100011218213 [0,1,0,0,0,0|1,0,1]=3 1998 B11R1.24 CSCOc1cccc(n1)F 34a_100011432558_100011218213 [0,1,0,0,0,0|2,0,1]=4 1999 B11R1.24 CSCOc1ccnc(c1)C 34a_100000688365_100011218213 [0,1,0,0,0,0|2,0,1]=4 2000 B11R1.24 CSCOc1ccnc(c1)Cl 34a_100000762945_100011218213 [0,1,0,0,0,0|2,0,1]=4 2001 B11R1.24 CSCOc1ccnc(c1)F 34a_100000732698_100011218213 [0,1,0,0,0,0|2,0,1]=4 2002 B11R1.24 CSCOc1ccnc(c1)N 34a_100011834064_100011218213 [0,1,0,0,0,0|2,0,1]=4 2003 B11R1.24 CSCOc1cncc(c1)Br 34a_100000754920_100011218213 [0,1,0,0,0,0|2,0,1]=4 2004 B11R1.24 CSCOc1cncc(c1)C 34a_100011830280_100011218213 [0,1,0,0,0,0|2,0,1]=4 2005 B11R1.24 CSCOc1cncc(c1)F 34a_100011830296_100011218213 [0,1,0,0,0,0|2,0,1]=4 2006 B11R1.24 CSCOc1cncc(c1)N 34a_100011997051_100011218213 [0,1,0,0,0,0|2,0,1]=4 2007 B11R1.24 CSCSc1cccc(c1)Br 62a_100000691529_100011218213 [0,1,0,0,0,0|1,1,1]=4 2008 B11R1.24 CSCSc1cccc(c1)Br 62a_100011218213_100000691529 [0,1,0,0,0,0|1,1,1]=4 2009 B11R1.24 CSCSc1cccc(c1)C 62a_100011215228_100011218213 [0,1,0,0,0,0|1,1,1]=4 2010 B11R1.24 CSCSc1cccc(c1)C 62a_100011218213_100011215228 [0,1,0,0,0,0|1,1,1]=4 2011 B11R1.24 CSCSc1cccc(c1)Cl 62a_100000699651_100011218213 [0,1,0,0,0,0|1,1,1]=4 2012 B11R1.24 CSCSc1cccc(c1)Cl 62a_100011218213_100000699651 [0,1,0,0,0,0|1,1,1]=4 2013 B11R1.24 CSCSc1cccc(c1)F 62a_100000685547_100011218213 [0,1,0,0,0,0|1,1,1]=4 2014 B11R1.24 CSCSc1cccc(c1)F 62a_100011218213_100000685547 [0,1,0,0,0,0|1,1,1]=4 2015 B11R1.24 CSCSc1cccc(c1)N 62a_100000210019_100011218213 [0,1,0,0,0,0|1,1,1]=4 2016 B11R1.24 CSCSc1cccc(c1)N 62a_100011218213_100000210019 [0,1,0,0,0,0|1,1,1]=4 2017 B11R1.24 CSCSc1cccc(c1)O 62a_100011218213_100000211634 [0,1,0,0,0,0|1,1,1]=4 2018 B11R1.24 CSCSc1cccc(c1)[S] 62a_100011218213_114929384022 [0,1,0,0,0,0|1,1,1]=4 2019 B11R1.24 CSCSc1cccc(c1)[S] 62a_114929384022_100011218213 [0,1,0,0,0,0|1,1,1]=4 2020 B11R1.24 C[n+]1cccc(c1)SCC=O 62a_100009996589_200015260668 [0,1,0,0,0,0|2,1,0]=4 2021 B11R1.24 C[n+]1cccc(c1)SCC=O 62a_200015260668_100009996589 [0,1,0,0,0,0|2,1,0]=4 2022 B11R1.24 Cc1cc(ccn1)OCC=O 34a_100000688365_200009817547 [0,1,0,0,0,0|2,0,0]=3 2023 B11R1.24 Cc1cc(ccn1)OCCF 34a_100000688365_100011217306 [0,1,0,0,0,0|2,0,1]=4 2024 B11R1.24 Cc1cc(ccn1)OCCO 34a_100000688365_100000211926 [0,1,0,0,0,0|2,0,1]=4 2025 B11R1.24 Cc1cc(ccn1)SCC=O 62a_100000758586_200015260668 [0,1,0,0,0,0|2,1,0]=4 2026 B11R1.24 Cc1cc(ccn1)SCC=O 62a_200015260668_100000758586 [0,1,0,0,0,0|2,1,0]=4 2027 B11R1.24 Cc1cccc(c1)CCN[13CH3] 2230a_100000749837_200025704644 [0,1,0,0,0,0|2,0,1]=4 2028 B11R1.24 Cc1cccc(c1)CCN[13CH3] 34a_100000749837_200025704644 [0,1,0,0,0,0|2,0,1]=4 2029 B11R1.24 Cc1cccc(c1)CCO[13CH3] 34a_100011217157_200025704644 [0,1,0,0,0,0|2,0,1]=4 2030 B11R1.24 Cc1cccc(c1)CCO[13CH3] 7a_100011217157_200025704644 [0,1,0,0,0,0|2,0,1]=4 2031 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_100011713685_200025704644 [0,1,0,0,0,0|2,0,1]=4 2032 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713685 [0,1,0,0,0,0|2,0,1]=4 2033 B11R1.24 Cc1cccc(c1)NCC#N 2230a_100000188690_100011215382 [0,1,0,0,0,0|2,0,1]=4 2034 B11R1.24 Cc1cccc(c1)NCC=O 2230a_100000188690_200015260668 [0,1,0,0,0,0|2,0,0]=3 2035 B11R1.24 Cc1cccc(c1)NCC=O 34a_100000188690_200009817547 [0,1,0,0,0,0|2,0,0]=3 2036 B11R1.24 Cc1cccc(c1)NCCF 2230a_100000188690_100011217306 [0,1,0,0,0,0|2,0,1]=4 2037 B11R1.24 Cc1cccc(c1)NCCF 34a_100000188690_100011217306 [0,1,0,0,0,0|2,0,1]=4 2038 B11R1.24 Cc1cccc(c1)NCCO 2230a_100000188690_100000211926 [0,1,0,0,0,0|2,0,1]=4 2039 B11R1.24 Cc1cccc(c1)NCCO 34a_100000188690_100000211926 [0,1,0,0,0,0|2,0,1]=4 2040 B11R1.24 Cc1cccc(c1)OCC#N 7a_100000210337_100011215382 [0,1,0,0,0,0|1,0,1]=3 2041 B11R1.24 Cc1cccc(c1)OCC=O 34a_100000210337_200009817547 [0,1,0,0,0,0|1,0,0]=2 2042 B11R1.24 Cc1cccc(c1)OCC=O 7a_100000210337_200015260668 [0,1,0,0,0,0|1,0,0]=2 2043 B11R1.24 Cc1cccc(c1)OCCF 34a_100000210337_100011217306 [0,1,0,0,0,0|1,0,1]=3 2044 B11R1.24 Cc1cccc(c1)OCCF 7a_100000210337_100011217306 [0,1,0,0,0,0|1,0,1]=3 2045 B11R1.24 Cc1cccc(c1)OCCO 34a_100000210337_100000211926 [0,1,0,0,0,0|1,0,1]=3 2046 B11R1.24 Cc1cccc(c1)OCCO 7a_100000210337_100000211926 [0,1,0,0,0,0|1,0,1]=3 2047 B11R1.24 Cc1cccc(c1)SCC#N 62a_100011215228_100011215382 [0,1,0,0,0,0|1,1,1]=4 2048 B11R1.24 Cc1cccc(c1)SCC#N 62a_100011215382_100011215228 [0,1,0,0,0,0|1,1,1]=4 2049 B11R1.24 Cc1cccc(c1)SCC=O 62a_100011215228_200015260668 [0,1,0,0,0,0|1,1,0]=3 2050 B11R1.24 Cc1cccc(c1)SCC=O 62a_200015260668_100011215228 [0,1,0,0,0,0|1,1,0]=3 2051 B11R1.24 Cc1cccc(c1)SCCF 62a_100011215228_100011217306 [0,1,0,0,0,0|1,1,1]=4 2052 B11R1.24 Cc1cccc(c1)SCCF 62a_100011217306_100011215228 [0,1,0,0,0,0|1,1,1]=4 2053 B11R1.24 Cc1cccc(c1)SCCO 62a_100000211926_100011215228 [0,1,0,0,0,0|1,1,1]=4 2054 B11R1.24 Cc1cccc(c1)SCCO 62a_100011215228_100000211926 [0,1,0,0,0,0|1,1,1]=4 2055 B11R1.24 Cc1cccc(n1)SCC=O 62a_100000742759_200015260668 [0,1,0,0,0,0|2,1,0]=4 2056 B11R1.24 Cc1cccc(n1)SCC=O 62a_200015260668_100000742759 [0,1,0,0,0,0|2,1,0]=4 2057 B11R1.24 Cc1ccnc(c1)SCC=O 62a_100000750283_200015260668 [0,1,0,0,0,0|2,1,0]=4 2058 B11R1.24 Cc1ccnc(c1)SCC=O 62a_200015260668_100000750283 [0,1,0,0,0,0|2,1,0]=4 2059 B11R1.24 Cc1cncc(c1)OCC#N 7a_100011830280_100011215382 [0,1,0,0,0,0|2,0,1]=4 2060 B11R1.24 Cc1cncc(c1)OCC=O 34a_100011830280_200009817547 [0,1,0,0,0,0|2,0,0]=3 2061 B11R1.24 Cc1cncc(c1)OCC=O 7a_100011830280_200015260668 [0,1,0,0,0,0|2,0,0]=3 2062 B11R1.24 Cc1cncc(c1)OCCF 34a_100011830280_100011217306 [0,1,0,0,0,0|2,0,1]=4 2063 B11R1.24 Cc1cncc(c1)OCCF 7a_100011830280_100011217306 [0,1,0,0,0,0|2,0,1]=4 2064 B11R1.24 Cc1cncc(c1)OCCO 34a_100011830280_100000211926 [0,1,0,0,0,0|2,0,1]=4 2065 B11R1.24 Cc1cncc(c1)OCCO 7a_100011830280_100000211926 [0,1,0,0,0,0|2,0,1]=4 2066 B11R1.24 Cc1cncc(c1)SCC=O 62a_100000760492_200015260668 [0,1,0,0,0,0|2,1,0]=4 2067 B11R1.24 Cc1cncc(c1)SCC=O 62a_200015260668_100000760492 [0,1,0,0,0,0|2,1,0]=4 2068 B11R1.24 Cc1cnnc(c1)OCC=O 34a_100000766097_200009817547 [0,1,0,0,0,0|3,0,0]=4 2069 B11R1.24 FCCNc1cccc(c1)Br 34a_100000210019_100011217306 [0,1,0,0,0,0|2,0,1]=4 2070 B11R1.24 FCCNc1cccc(c1)Cl 34a_100000185859_100011217306 [0,1,0,0,0,0|2,0,1]=4 2071 B11R1.24 FCCNc1cccc(c1)F 34a_100000210047_100011217306 [0,1,0,0,0,0|2,0,1]=4 2072 B11R1.24 FCCNc1cccc(c1)I 34a_100000211102_100011217306 [0,1,0,0,0,0|2,0,1]=4 2073 B11R1.24 FCCOc1cccc(c1)Br 34a_100000210342_100011217306 [0,1,0,0,0,0|1,0,1]=3 2074 B11R1.24 FCCOc1cccc(c1)Br 7a_100000210342_100011217306 [0,1,0,0,0,0|1,0,1]=3 2075 B11R1.24 FCCOc1cccc(c1)Cl 34a_100000210295_100011217306 [0,1,0,0,0,0|1,0,1]=3 2076 B11R1.24 FCCOc1cccc(c1)Cl 7a_100000210295_100011217306 [0,1,0,0,0,0|1,0,1]=3 2077 B11R1.24 FCCOc1cccc(c1)F 34a_100000210426_100011217306 [0,1,0,0,0,0|1,0,1]=3 2078 B11R1.24 FCCOc1cccc(c1)F 7a_100000210426_100011217306 [0,1,0,0,0,0|1,0,1]=3 2079 B11R1.24 FCCOc1cccc(c1)I 34a_100000211634_100011217306 [0,1,0,0,0,0|1,0,1]=3 2080 B11R1.24 FCCOc1cccc(c1)I 7a_100000211634_100011217306 [0,1,0,0,0,0|1,0,1]=3 2081 B11R1.24 FCCOc1cccc(n1)F 34a_100011432558_100011217306 [0,1,0,0,0,0|2,0,1]=4 2082 B11R1.24 FCCOc1ccnc(c1)Cl 34a_100000762945_100011217306 [0,1,0,0,0,0|2,0,1]=4 2083 B11R1.24 FCCOc1ccnc(c1)F 34a_100000732698_100011217306 [0,1,0,0,0,0|2,0,1]=4 2084 B11R1.24 FCCOc1cncc(c1)Br 34a_100000754920_100011217306 [0,1,0,0,0,0|2,0,1]=4 2085 B11R1.24 FCCOc1cncc(c1)Br 7a_100000754920_100011217306 [0,1,0,0,0,0|2,0,1]=4 2086 B11R1.24 FCCOc1cncc(c1)Cl 7a_100000032511_100011217306 [0,1,0,0,0,0|2,0,1]=4 2087 B11R1.24 FCCOc1cncc(c1)F 34a_100011830296_100011217306 [0,1,0,0,0,0|2,0,1]=4 2088 B11R1.24 FCCOc1cncc(c1)F 7a_100011830296_100011217306 [0,1,0,0,0,0|2,0,1]=4 2089 B11R1.24 FCCSc1cccc(c1)Br 62a_100000691529_100011217306 [0,1,0,0,0,0|1,1,1]=4 2090 B11R1.24 FCCSc1cccc(c1)Br 62a_100011217306_100000691529 [0,1,0,0,0,0|1,1,1]=4 2091 B11R1.24 FCCSc1cccc(c1)Cl 62a_100000699651_100011217306 [0,1,0,0,0,0|1,1,1]=4 2092 B11R1.24 FCCSc1cccc(c1)Cl 62a_100011217306_100000699651 [0,1,0,0,0,0|1,1,1]=4 2093 B11R1.24 FCCSc1cccc(c1)F 62a_100000685547_100011217306 [0,1,0,0,0,0|1,1,1]=4 2094 B11R1.24 FCCSc1cccc(c1)F 62a_100011217306_100000685547 [0,1,0,0,0,0|1,1,1]=4 2095 B11R1.24 FCCSc1cccc(c1)[S] 62a_100011217306_114929384022 [0,1,0,0,0,0|1,1,1]=4 2096 B11R1.24 FCCSc1cccc(c1)[S] 62a_114929384022_100011217306 [0,1,0,0,0,0|1,1,1]=4 2097 B11R1.24 N#CCCc1cccc(c1)O 271570a_203496583355_100011219771 [0,1,0,0,0,0|2,0,1]=4 2098 B11R1.24 N#CCOc1ccc[n+](c1)[O-] 7a_100000039713_100011215382 [0,1,0,0,0,0|2,0,1]=4 2099 B11R1.24 N#CCOc1cccc(c1)Br 7a_100000210342_100011215382 [0,1,0,0,0,0|1,0,1]=3 2100 B11R1.24 N#CCOc1cccc(c1)Cl 7a_100000210295_100011215382 [0,1,0,0,0,0|1,0,1]=3 2101 B11R1.24 N#CCOc1cccc(c1)F 7a_100000210426_100011215382 [0,1,0,0,0,0|1,0,1]=3 2102 B11R1.24 N#CCOc1cccc(c1)I 7a_100000211634_100011215382 [0,1,0,0,0,0|1,0,1]=3 2103 B11R1.24 N#CCOc1cccc(c1)O 271570a_203496583355_200000169433 [0,1,0,0,0,0|1,0,1]=3 2104 B11R1.24 N#CCOc1cncc(c1)Br 7a_100000754920_100011215382 [0,1,0,0,0,0|2,0,1]=4 2105 B11R1.24 N#CCOc1cncc(c1)Cl 7a_100000032511_100011215382 [0,1,0,0,0,0|2,0,1]=4 2106 B11R1.24 N#CCOc1cncc(c1)F 7a_100011830296_100011215382 [0,1,0,0,0,0|2,0,1]=4 2107 B11R1.24 N#CCSc1cccc(c1)Br 62a_100000691529_100011215382 [0,1,0,0,0,0|1,1,1]=4 2108 B11R1.24 N#CCSc1cccc(c1)Br 62a_100011215382_100000691529 [0,1,0,0,0,0|1,1,1]=4 2109 B11R1.24 N#CCSc1cccc(c1)Cl 62a_100000699651_100011215382 [0,1,0,0,0,0|1,1,1]=4 2110 B11R1.24 N#CCSc1cccc(c1)Cl 62a_100011215382_100000699651 [0,1,0,0,0,0|1,1,1]=4 2111 B11R1.24 N#CCSc1cccc(c1)F 62a_100000685547_100011215382 [0,1,0,0,0,0|1,1,1]=4 2112 B11R1.24 N#CCSc1cccc(c1)F 62a_100011215382_100000685547 [0,1,0,0,0,0|1,1,1]=4 2113 B11R1.24 N#CCSc1cccc(c1)N 62a_100000210019_100011215382 [0,1,0,0,0,0|1,1,1]=4 2114 B11R1.24 N#CCSc1cccc(c1)N 62a_100011215382_100000210019 [0,1,0,0,0,0|1,1,1]=4 2115 B11R1.24 N#CCSc1cccc(c1)O 271570a_203496583355_200011756096 [0,1,0,0,0,0|1,1,1]=4 2116 B11R1.24 N#CCSc1cccc(c1)O 62a_100011215382_100000211634 [0,1,0,0,0,0|1,1,1]=4 2117 B11R1.24 N#CCSc1cccc(c1)[S] 62a_100011215382_114929384022 [0,1,0,0,0,0|1,1,1]=4 2118 B11R1.24 N#CCSc1cccc(c1)[S] 62a_114929384022_100011215382 [0,1,0,0,0,0|1,1,1]=4 2119 B11R1.24 NCCCc1cccc(c1)O 271570a_203496583355_100000753791 [0,1,0,0,0,0|2,0,1]=4 2120 B11R1.24 NCCOc1cccc(c1)O 271570a_203496583355_100000743521 [0,1,0,0,0,0|1,0,1]=3 2121 B11R1.24 Nc1cc(ccn1)OCC=O 34a_100011834064_200009817547 [0,1,0,0,0,0|2,0,0]=3 2122 B11R1.24 Nc1cc(ccn1)OCCF 34a_100011834064_100011217306 [0,1,0,0,0,0|2,0,1]=4 2123 B11R1.24 Nc1cc(ccn1)OCCO 34a_100011834064_100000211926 [0,1,0,0,0,0|2,0,1]=4 2124 B11R1.24 Nc1cc(ccn1)SCC=O 62a_100000049665_200015260668 [0,1,0,0,0,0|2,1,0]=4 2125 B11R1.24 Nc1cc(ccn1)SCC=O 62a_200015260668_100000049665 [0,1,0,0,0,0|2,1,0]=4 2126 B11R1.24 Nc1cc(cnn1)OCC=O 34a_200015193112_200009817547 [0,1,0,0,0,0|3,0,0]=4 2127 B11R1.24 Nc1cccc(c1)OCC=O 34a_100000210217_200009817547 [0,1,0,0,0,0|1,0,0]=2 2128 B11R1.24 Nc1cccc(c1)OCCF 34a_100000210217_100011217306 [0,1,0,0,0,0|1,0,1]=3 2129 B11R1.24 Nc1cccc(c1)OCCO 34a_100000210217_100000211926 [0,1,0,0,0,0|1,0,1]=3 2130 B11R1.24 Nc1cccc(c1)SCC=O 62a_100000210019_200015260668 [0,1,0,0,0,0|1,1,0]=3 2131 B11R1.24 Nc1cccc(c1)SCC=O 62a_200015260668_100000210019 [0,1,0,0,0,0|1,1,0]=3 2132 B11R1.24 Nc1cccc(c1)SCCF 62a_100000210019_100011217306 [0,1,0,0,0,0|1,1,1]=4 2133 B11R1.24 Nc1cccc(c1)SCCF 62a_100011217306_100000210019 [0,1,0,0,0,0|1,1,1]=4 2134 B11R1.24 Nc1cccc(c1)SCCO 62a_100000210019_100000211926 [0,1,0,0,0,0|1,1,1]=4 2135 B11R1.24 Nc1cccc(c1)SCCO 62a_100000211926_100000210019 [0,1,0,0,0,0|1,1,1]=4 2136 B11R1.24 Nc1cccc(n1)SCC=O 62a_100000740741_200015260668 [0,1,0,0,0,0|2,1,0]=4 2137 B11R1.24 Nc1cccc(n1)SCC=O 62a_200015260668_100000740741 [0,1,0,0,0,0|2,1,0]=4 2138 B11R1.24 Nc1ccnc(c1)SCC=O 62a_100009814236_200015260668 [0,1,0,0,0,0|2,1,0]=4 2139 B11R1.24 Nc1ccnc(c1)SCC=O 62a_200015260668_100009814236 [0,1,0,0,0,0|2,1,0]=4 2140 B11R1.24 Nc1cncc(c1)OCC=O 34a_100011997051_200009817547 [0,1,0,0,0,0|2,0,0]=3 2141 B11R1.24 Nc1cncc(c1)OCCF 34a_100011997051_100011217306 [0,1,0,0,0,0|2,0,1]=4 2142 B11R1.24 Nc1cncc(c1)OCCO 34a_100011997051_100000211926 [0,1,0,0,0,0|2,0,1]=4 2143 B11R1.24 Nc1cncc(c1)SCC=O 62a_100000687067_200015260668 [0,1,0,0,0,0|2,1,0]=4 2144 B11R1.24 Nc1cncc(c1)SCC=O 62a_200015260668_100000687067 [0,1,0,0,0,0|2,1,0]=4 2145 B11R1.24 O=CCNc1cccc(c1)Br 34a_100000210019_200009817547 [0,1,0,0,0,0|2,0,0]=3 2146 B11R1.24 O=CCNc1cccc(c1)Cl 34a_100000185859_200009817547 [0,1,0,0,0,0|2,0,0]=3 2147 B11R1.24 O=CCNc1cccc(c1)F 34a_100000210047_200009817547 [0,1,0,0,0,0|2,0,0]=3 2148 B11R1.24 O=CCNc1cccc(c1)I 34a_100000211102_200009817547 [0,1,0,0,0,0|2,0,0]=3 2149 B11R1.24 O=CCNc1cccc(c1)O 34a_100000210217_200009817547 [0,1,0,0,0,0|2,0,0]=3 2150 B11R1.24 O=CCOc1cc[nH]c(=O)c1 34a_100000032262_200009817547 [0,1,0,0,0,0|2,0,0]=3 2151 B11R1.24 O=CCOc1ccc[n+](c1)[O-] 34a_100000039713_200009817547 [0,1,0,0,0,0|2,0,0]=3 2152 B11R1.24 O=CCOc1ccc[n+](c1)[O-] 7a_100000039713_200015260668 [0,1,0,0,0,0|2,0,0]=3 2153 B11R1.24 O=CCOc1cccc(=O)[nH]1 34a_100000033347_200009817547 [0,1,0,0,0,0|2,0,0]=3 2154 B11R1.24 O=CCOc1cccc(c1)Br 34a_100000210342_200009817547 [0,1,0,0,0,0|1,0,0]=2 2155 B11R1.24 O=CCOc1cccc(c1)Br 7a_100000210342_200015260668 [0,1,0,0,0,0|1,0,0]=2 2156 B11R1.24 O=CCOc1cccc(c1)Cl 34a_100000210295_200009817547 [0,1,0,0,0,0|1,0,0]=2 2157 B11R1.24 O=CCOc1cccc(c1)Cl 7a_100000210295_200015260668 [0,1,0,0,0,0|1,0,0]=2 2158 B11R1.24 O=CCOc1cccc(c1)F 34a_100000210426_200009817547 [0,1,0,0,0,0|1,0,0]=2 2159 B11R1.24 O=CCOc1cccc(c1)F 7a_100000210426_200015260668 [0,1,0,0,0,0|1,0,0]=2 2160 B11R1.24 O=CCOc1cccc(c1)I 34a_100000211634_200009817547 [0,1,0,0,0,0|1,0,0]=2 2161 B11R1.24 O=CCOc1cccc(c1)I 7a_100000211634_200015260668 [0,1,0,0,0,0|1,0,0]=2 2162 B11R1.24 O=CCOc1cccc(n1)F 34a_100011432558_200009817547 [0,1,0,0,0,0|2,0,0]=3 2163 B11R1.24 O=CCOc1ccnc(c1)Cl 34a_100000762945_200009817547 [0,1,0,0,0,0|2,0,0]=3 2164 B11R1.24 O=CCOc1ccnc(c1)F 34a_100000732698_200009817547 [0,1,0,0,0,0|2,0,0]=3 2165 B11R1.24 O=CCOc1cncc(c1)Br 34a_100000754920_200009817547 [0,1,0,0,0,0|2,0,0]=3 2166 B11R1.24 O=CCOc1cncc(c1)Br 7a_100000754920_200015260668 [0,1,0,0,0,0|2,0,0]=3 2167 B11R1.24 O=CCOc1cncc(c1)Cl 7a_100000032511_200015260668 [0,1,0,0,0,0|2,0,0]=3 2168 B11R1.24 O=CCOc1cncc(c1)F 34a_100011830296_200009817547 [0,1,0,0,0,0|2,0,0]=3 2169 B11R1.24 O=CCOc1cncc(c1)F 7a_100011830296_200015260668 [0,1,0,0,0,0|2,0,0]=3 2170 B11R1.24 O=CCOc1cnnc(c1)Cl 34a_200010734679_200009817547 [0,1,0,0,0,0|3,0,0]=4 2171 B11R1.24 O=CCSc1cc(=O)cc[nH]1 62a_100009817434_200015260668 [0,1,0,0,0,0|2,1,0]=4 2172 B11R1.24 O=CCSc1cc(ccn1)Cl 62a_100010167805_200015260668 [0,1,0,0,0,0|2,1,0]=4 2173 B11R1.24 O=CCSc1cc(ccn1)Cl 62a_200015260668_100010167805 [0,1,0,0,0,0|2,1,0]=4 2174 B11R1.24 O=CCSc1cc(ccn1)F 62a_100000764206_200015260668 [0,1,0,0,0,0|2,1,0]=4 2175 B11R1.24 O=CCSc1cc(ccn1)F 62a_200015260668_100000764206 [0,1,0,0,0,0|2,1,0]=4 2176 B11R1.24 O=CCSc1cc(ccn1)O 62a_200015260668_100000762945 [0,1,0,0,0,0|2,1,0]=4 2177 B11R1.24 O=CCSc1cc[nH]c(=O)c1 62a_100009816521_200015260668 [0,1,0,0,0,0|2,1,0]=4 2178 B11R1.24 O=CCSc1cc[nH]c(=O)c1 62a_200015260668_100009816521 [0,1,0,0,0,0|2,1,0]=4 2179 B11R1.24 O=CCSc1ccc[n+](c1)[O-] 62a_200015260668_100009815978 [0,1,0,0,0,0|2,1,0]=4 2180 B11R1.24 O=CCSc1cccc(=O)[nH]1 62a_200015260668_100000752884 [0,1,0,0,0,0|2,1,0]=4 2181 B11R1.24 O=CCSc1cccc(c1)Br 62a_100000691529_200015260668 [0,1,0,0,0,0|1,1,0]=3 2182 B11R1.24 O=CCSc1cccc(c1)Br 62a_200015260668_100000691529 [0,1,0,0,0,0|1,1,0]=3 2183 B11R1.24 O=CCSc1cccc(c1)Cl 62a_100000699651_200015260668 [0,1,0,0,0,0|1,1,0]=3 2184 B11R1.24 O=CCSc1cccc(c1)Cl 62a_200015260668_100000699651 [0,1,0,0,0,0|1,1,0]=3 2185 B11R1.24 O=CCSc1cccc(c1)F 62a_100000685547_200015260668 [0,1,0,0,0,0|1,1,0]=3 2186 B11R1.24 O=CCSc1cccc(c1)F 62a_200015260668_100000685547 [0,1,0,0,0,0|1,1,0]=3 2187 B11R1.24 O=CCSc1cccc(c1)O 62a_200015260668_100000211634 [0,1,0,0,0,0|1,1,0]=3 2188 B11R1.24 O=CCSc1cccc(c1)[S] 62a_114929384022_200015260668 [0,1,0,0,0,0|1,1,0]=3 2189 B11R1.24 O=CCSc1cccc(c1)[S] 62a_200015260668_114929384022 [0,1,0,0,0,0|1,1,0]=3 2190 B11R1.24 O=CCSc1cccc(n1)Br 62a_100000684672_200015260668 [0,1,0,0,0,0|2,1,0]=4 2191 B11R1.24 O=CCSc1cccc(n1)Br 62a_200015260668_100000684672 [0,1,0,0,0,0|2,1,0]=4 2192 B11R1.24 O=CCSc1cccc(n1)Cl 62a_100000051397_200015260668 [0,1,0,0,0,0|2,1,0]=4 2193 B11R1.24 O=CCSc1cccc(n1)Cl 62a_200015260668_100000051397 [0,1,0,0,0,0|2,1,0]=4 2194 B11R1.24 O=CCSc1cccc(n1)F 62a_100009815982_200015260668 [0,1,0,0,0,0|2,1,0]=4 2195 B11R1.24 O=CCSc1cccc(n1)F 62a_200015260668_100009815982 [0,1,0,0,0,0|2,1,0]=4 2196 B11R1.24 O=CCSc1ccnc(c1)Br 62a_100009814637_200015260668 [0,1,0,0,0,0|2,1,0]=4 2197 B11R1.24 O=CCSc1ccnc(c1)Br 62a_200015260668_100009814637 [0,1,0,0,0,0|2,1,0]=4 2198 B11R1.24 O=CCSc1ccnc(c1)Cl 62a_100000035001_200015260668 [0,1,0,0,0,0|2,1,0]=4 2199 B11R1.24 O=CCSc1ccnc(c1)Cl 62a_200015260668_100000035001 [0,1,0,0,0,0|2,1,0]=4 2200 B11R1.24 O=CCSc1ccnc(c1)F 62a_100009816116_200015260668 [0,1,0,0,0,0|2,1,0]=4 2201 B11R1.24 O=CCSc1ccnc(c1)F 62a_200015260668_100009816116 [0,1,0,0,0,0|2,1,0]=4 2202 B11R1.24 O=CCSc1cncc(c1)Br 62a_100000728054_200015260668 [0,1,0,0,0,0|2,1,0]=4 2203 B11R1.24 O=CCSc1cncc(c1)Br 62a_200015260668_100000728054 [0,1,0,0,0,0|2,1,0]=4 2204 B11R1.24 O=CCSc1cncc(c1)Cl 62a_100000049639_200015260668 [0,1,0,0,0,0|2,1,0]=4 2205 B11R1.24 O=CCSc1cncc(c1)Cl 62a_200015260668_100000049639 [0,1,0,0,0,0|2,1,0]=4 2206 B11R1.24 O=CCSc1cncc(c1)F 62a_100000744099_200015260668 [0,1,0,0,0,0|2,1,0]=4 2207 B11R1.24 O=CCSc1cncc(c1)F 62a_200015260668_100000744099 [0,1,0,0,0,0|2,1,0]=4 2208 B11R1.24 O=CCSc1cncc(c1)O 62a_100000754920_200015260668 [0,1,0,0,0,0|2,1,0]=4 2209 B11R1.24 O=CCSc1cncc(c1)O 62a_200015260668_100000754920 [0,1,0,0,0,0|2,1,0]=4 2210 B11R1.24 O=c1cc(cc[nH]1)OCCF 34a_100000032262_100011217306 [0,1,0,0,0,0|2,0,1]=4 2211 B11R1.24 O=c1cc(cc[nH]1)OCCO 34a_100000032262_100000211926 [0,1,0,0,0,0|2,0,1]=4 2212 B11R1.24 O=c1cccc([nH]1)OCCF 34a_100000033347_100011217306 [0,1,0,0,0,0|2,0,1]=4 2213 B11R1.24 O=c1cccc([nH]1)OCCO 34a_100000033347_100000211926 [0,1,0,0,0,0|2,0,1]=4 2214 B11R1.24 OCCCc1cccc(c1)O 271570a_203496583355_100011709248 [0,1,0,0,0,0|2,0,1]=4 2215 B11R1.24 OCCNc1cccc(c1)Br 34a_100000210019_100000211926 [0,1,0,0,0,0|2,0,1]=4 2216 B11R1.24 OCCNc1cccc(c1)Cl 34a_100000185859_100000211926 [0,1,0,0,0,0|2,0,1]=4 2217 B11R1.24 OCCNc1cccc(c1)F 34a_100000210047_100000211926 [0,1,0,0,0,0|2,0,1]=4 2218 B11R1.24 OCCNc1cccc(c1)I 34a_100000211102_100000211926 [0,1,0,0,0,0|2,0,1]=4 2219 B11R1.24 OCCNc1cccc(c1)O 34a_100000210217_100000211926 [0,1,0,0,0,0|2,0,1]=4 2220 B11R1.24 OCCOc1cccc(c1)Br 34a_100000210342_100000211926 [0,1,0,0,0,0|1,0,1]=3 2221 B11R1.24 OCCOc1cccc(c1)Br 7a_100000210342_100000211926 [0,1,0,0,0,0|1,0,1]=3 2222 B11R1.24 OCCOc1cccc(c1)Cl 34a_100000210295_100000211926 [0,1,0,0,0,0|1,0,1]=3 2223 B11R1.24 OCCOc1cccc(c1)Cl 7a_100000210295_100000211926 [0,1,0,0,0,0|1,0,1]=3 2224 B11R1.24 OCCOc1cccc(c1)F 34a_100000210426_100000211926 [0,1,0,0,0,0|1,0,1]=3 2225 B11R1.24 OCCOc1cccc(c1)F 7a_100000210426_100000211926 [0,1,0,0,0,0|1,0,1]=3 2226 B11R1.24 OCCOc1cccc(c1)I 34a_100000211634_100000211926 [0,1,0,0,0,0|1,0,1]=3 2227 B11R1.24 OCCOc1cccc(c1)I 7a_100000211634_100000211926 [0,1,0,0,0,0|1,0,1]=3 2228 B11R1.24 OCCOc1cccc(c1)O 271570a_203496583355_100000757546 [0,1,0,0,0,0|1,0,1]=3 2229 B11R1.24 OCCOc1cccc(n1)F 34a_100011432558_100000211926 [0,1,0,0,0,0|2,0,1]=4 2230 B11R1.24 OCCOc1ccnc(c1)Cl 34a_100000762945_100000211926 [0,1,0,0,0,0|2,0,1]=4 2231 B11R1.24 OCCOc1ccnc(c1)F 34a_100000732698_100000211926 [0,1,0,0,0,0|2,0,1]=4 2232 B11R1.24 OCCOc1cncc(c1)Br 34a_100000754920_100000211926 [0,1,0,0,0,0|2,0,1]=4 2233 B11R1.24 OCCOc1cncc(c1)Br 7a_100000754920_100000211926 [0,1,0,0,0,0|2,0,1]=4 2234 B11R1.24 OCCOc1cncc(c1)Cl 7a_100000032511_100000211926 [0,1,0,0,0,0|2,0,1]=4 2235 B11R1.24 OCCOc1cncc(c1)F 34a_100011830296_100000211926 [0,1,0,0,0,0|2,0,1]=4 2236 B11R1.24 OCCOc1cncc(c1)F 7a_100011830296_100000211926 [0,1,0,0,0,0|2,0,1]=4 2237 B11R1.24 OCCSc1cccc(c1)Br 62a_100000211926_100000691529 [0,1,0,0,0,0|1,1,1]=4 2238 B11R1.24 OCCSc1cccc(c1)Br 62a_100000691529_100000211926 [0,1,0,0,0,0|1,1,1]=4 2239 B11R1.24 OCCSc1cccc(c1)Cl 62a_100000211926_100000699651 [0,1,0,0,0,0|1,1,1]=4 2240 B11R1.24 OCCSc1cccc(c1)Cl 62a_100000699651_100000211926 [0,1,0,0,0,0|1,1,1]=4 2241 B11R1.24 OCCSc1cccc(c1)F 62a_100000211926_100000685547 [0,1,0,0,0,0|1,1,1]=4 2242 B11R1.24 OCCSc1cccc(c1)F 62a_100000685547_100000211926 [0,1,0,0,0,0|1,1,1]=4 2243 B11R1.24 OCCSc1cccc(c1)O 271570a_203496583355_200011756134 [0,1,0,0,0,0|1,1,1]=4 2244 B11R1.24 OCCSc1cccc(c1)O 62a_100000211926_100000211634 [0,1,0,0,0,0|1,1,1]=4 2245 B11R1.24 OCCSc1cccc(c1)[S] 62a_100000211926_114929384022 [0,1,0,0,0,0|1,1,1]=4 2246 B11R1.24 OCCSc1cccc(c1)[S] 62a_114929384022_100000211926 [0,1,0,0,0,0|1,1,1]=4 2247 B11R1.24 Oc1cccc(c1)NCCF 34a_100000210217_100011217306 [0,1,0,0,0,0|2,0,1]=4 2248 B11R1.24 Oc1cccc(c1)SCCF 62a_100011217306_100000211634 [0,1,0,0,0,0|1,1,1]=4 2249 B11R1.24 [13CH3]NCCc1cccc(c1)Br 2230a_100011207229_200025704644 [0,1,0,0,0,0|2,0,1]=4 2250 B11R1.24 [13CH3]NCCc1cccc(c1)Br 34a_100011207229_200025704644 [0,1,0,0,0,0|2,0,1]=4 2251 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 2230a_100000185263_200025704644 [0,1,0,0,0,0|2,0,1]=4 2252 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 34a_100000185263_200025704644 [0,1,0,0,0,0|2,0,1]=4 2253 B11R1.24 [13CH3]NCCc1cccc(c1)F 2230a_100000205154_200025704644 [0,1,0,0,0,0|2,0,1]=4 2254 B11R1.24 [13CH3]NCCc1cccc(c1)F 34a_100000205154_200025704644 [0,1,0,0,0,0|2,0,1]=4 2255 B11R1.24 [13CH3]NCCc1cccc(c1)O 2230a_100000747277_200025704644 [0,1,0,0,0,0|2,0,1]=4 2256 B11R1.24 [13CH3]NCCc1cccc(c1)O 34a_100000747277_200025704644 [0,1,0,0,0,0|2,0,1]=4 2257 B11R1.24 [13CH3]OCCc1cccc(c1)Br 34a_100011217444_200025704644 [0,1,0,0,0,0|2,0,1]=4 2258 B11R1.24 [13CH3]OCCc1cccc(c1)Br 7a_100011217444_200025704644 [0,1,0,0,0,0|2,0,1]=4 2259 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 34a_100000754733_200025704644 [0,1,0,0,0,0|2,0,1]=4 2260 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 7a_100000754733_200025704644 [0,1,0,0,0,0|2,0,1]=4 2261 B11R1.24 [13CH3]OCCc1cccc(c1)F 34a_100000763591_200025704644 [0,1,0,0,0,0|2,0,1]=4 2262 B11R1.24 [13CH3]OCCc1cccc(c1)F 7a_100000763591_200025704644 [0,1,0,0,0,0|2,0,1]=4 2263 B11R1.24 [13CH3]OCCc1cccc(c1)N 34a_100011996697_200025704644 [0,1,0,0,0,0|2,0,1]=4 2264 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_100011740638_200025704644 [0,1,0,0,0,0|2,0,1]=4 2265 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_200025704644_100011740638 [0,1,0,0,0,0|2,0,1]=4 2266 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_100011713710_200025704644 [0,1,0,0,0,0|2,0,1]=4 2267 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_200025704644_100011713710 [0,1,0,0,0,0|2,0,1]=4 2268 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_100011217235_200025704644 [0,1,0,0,0,0|2,0,1]=4 2269 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_200025704644_100011217235 [0,1,0,0,0,0|2,0,1]=4 2270 B11R1.24 [O-][n+]1cccc(c1)OCCF 34a_100000039713_100011217306 [0,1,0,0,0,0|2,0,1]=4 2271 B11R1.24 [O-][n+]1cccc(c1)OCCF 7a_100000039713_100011217306 [0,1,0,0,0,0|2,0,1]=4 2272 B11R1.24 [O-][n+]1cccc(c1)OCCO 34a_100000039713_100000211926 [0,1,0,0,0,0|2,0,1]=4 2273 B11R1.24 [O-][n+]1cccc(c1)OCCO 7a_100000039713_100000211926 [0,1,0,0,0,0|2,0,1]=4 2274 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [0,1,0,0,0,0|1,0,1]=3 2275 B11R1.28 BrCCOCc1ccccn1 34a_100000211926_100000721315 [0,1,0,0,0,0|2,0,1]=4 2276 B11R1.28 BrCCOCc1cccnc1 34a_100000211926_100000733263 [0,1,0,0,0,0|2,0,1]=4 2277 B11R1.28 C#CCCNc1ccccc1 34a_100000106764_100000688953 [0,1,0,0,0,0|1,0,2]=4 2278 B11R1.28 C#CCCOc1ccccc1 34a_100000210340_100000688953 [0,1,0,0,0,0|0,0,2]=3 2279 B11R1.28 C#CCCOc1ccccc1 7a_100000210340_100000688953 [0,1,0,0,0,0|0,0,2]=3 2280 B11R1.28 C#CCCOc1cccnc1 34a_100000210849_100000688953 [0,1,0,0,0,0|1,0,2]=4 2281 B11R1.28 C#CCCOc1cccnc1 7a_100000210849_100000688953 [0,1,0,0,0,0|1,0,2]=4 2282 B11R1.28 C#CCCOc1ccncc1 34a_100000212176_100000688953 [0,1,0,0,0,0|1,0,2]=4 2283 B11R1.28 C#CCCSc1ccccc1 62a_100000688953_100000041952 [0,1,0,0,0,0|0,1,2]=4 2284 B11R1.28 C#CCCSc1ccccc1 62a_100000719477_100000688953 [0,1,0,0,0,0|0,1,2]=4 2285 B11R1.28 C#CCNCc1ccccc1 2230a_100015324214_100000038162 [0,1,0,0,0,0|1,0,2]=4 2286 B11R1.28 C#CCNCc1ccccc1 34a_100000212058_100015291786 [0,1,0,0,0,0|1,0,2]=4 2287 B11R1.28 C#CCNCc1ccccc1 34a_100015324214_100000184674 [0,1,0,0,0,0|1,0,2]=4 2288 B11R1.28 C#CCOCc1ccccc1 34a_100000210247_100015291786 [0,1,0,0,0,0|0,0,2]=3 2289 B11R1.28 C#CCOCc1ccccc1 34a_100000210790_100000184674 [0,1,0,0,0,0|0,0,2]=3 2290 B11R1.28 C#CCOCc1ccccc1 7a_100000210790_100000038162 [0,1,0,0,0,0|0,0,2]=3 2291 B11R1.28 C#CCOCc1ccccn1 34a_100000210247_100000721315 [0,1,0,0,0,0|1,0,2]=4 2292 B11R1.28 C#CCOCc1cccnc1 34a_100000210247_100000733263 [0,1,0,0,0,0|1,0,2]=4 2293 B11R1.28 C#CCSCc1ccccc1 62a_100000038162_100015291786 [0,1,0,0,0,0|0,1,2]=4 2294 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [0,1,0,0,0,0|1,0,0]=2 2295 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [0,1,0,0,0,0|0,0,0]=1 2296 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [0,1,0,0,0,0|0,0,0]=1 2297 B11R1.28 C/C=C/COc1cccnc1 34a_100000210849_100102629194 [0,1,0,0,0,0|1,0,0]=2 2298 B11R1.28 C/C=C/COc1cccnc1 7a_100000210849_100102629194 [0,1,0,0,0,0|1,0,0]=2 2299 B11R1.28 C/C=C/COc1ccncc1 34a_100000212176_100102629194 [0,1,0,0,0,0|1,0,0]=2 2300 B11R1.28 C/C=C/COc1ccnnc1 34a_100015204005_100102629194 [0,1,0,0,0,0|2,0,0]=3 2301 B11R1.28 C/C=C/COc1cncnc1 7a_100000754086_100102629194 [0,1,0,0,0,0|2,0,0]=3 2302 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [0,1,0,0,0,0|0,1,0]=2 2303 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [0,1,0,0,0,0|0,1,0]=2 2304 B11R1.28 C/C=C/CSc1ccccn1 62a_100011216584_100102629194 [0,1,0,0,0,0|1,1,0]=3 2305 B11R1.28 C/C=C/CSc1ccccn1 62a_100102629194_100011216584 [0,1,0,0,0,0|1,1,0]=3 2306 B11R1.28 C/C=C/CSc1cccnc1 62a_100000210063_100102629194 [0,1,0,0,0,0|1,1,0]=3 2307 B11R1.28 C/C=C/CSc1cccnc1 62a_100102629194_100000210063 [0,1,0,0,0,0|1,1,0]=3 2308 B11R1.28 C/C=C/CSc1cccnn1 62a_100016991348_100102629194 [0,1,0,0,0,0|2,1,0]=4 2309 B11R1.28 C/C=C/CSc1cccnn1 62a_100102629194_100016991348 [0,1,0,0,0,0|2,1,0]=4 2310 B11R1.28 C/C=C/CSc1ccncc1 62a_100000728582_100102629194 [0,1,0,0,0,0|1,1,0]=3 2311 B11R1.28 C/C=C/CSc1ccncc1 62a_100102629194_100000728582 [0,1,0,0,0,0|1,1,0]=3 2312 B11R1.28 C/C=C/CSc1ccncn1 62a_100000703185_100102629194 [0,1,0,0,0,0|2,1,0]=4 2313 B11R1.28 C/C=C/CSc1ccncn1 62a_100102629194_100000703185 [0,1,0,0,0,0|2,1,0]=4 2314 B11R1.28 C/C=C/CSc1ccnnc1 62a_100000732662_100102629194 [0,1,0,0,0,0|2,1,0]=4 2315 B11R1.28 C/C=C/CSc1ccnnc1 62a_100102629194_100000732662 [0,1,0,0,0,0|2,1,0]=4 2316 B11R1.28 C/C=C/CSc1cnccn1 62a_100000211759_100102629194 [0,1,0,0,0,0|2,1,0]=4 2317 B11R1.28 C/C=C/CSc1cnccn1 62a_100102629194_100000211759 [0,1,0,0,0,0|2,1,0]=4 2318 B11R1.28 C/C=C/CSc1cncnc1 62a_100011206942_100102629194 [0,1,0,0,0,0|2,1,0]=4 2319 B11R1.28 C/C=C/CSc1cncnc1 62a_100102629194_100011206942 [0,1,0,0,0,0|2,1,0]=4 2320 B11R1.28 C/C=C/CSc1ncccn1 62a_100000211032_100102629194 [0,1,0,0,0,0|2,1,0]=4 2321 B11R1.28 C/C=C/CSc1ncccn1 62a_100102629194_100000211032 [0,1,0,0,0,0|2,1,0]=4 2322 B11R1.28 C=CCCNc1ccccc1 34a_100000106764_100000754431 [0,1,0,0,0,0|1,0,0]=2 2323 B11R1.28 C=CCCNc1cccnn1 27a_100015191253_100016991348 [0,1,0,0,0,0|3,0,0]=4 2324 B11R1.28 C=CCCNc1ccncn1 27a_100015191253_100000703185 [0,1,0,0,0,0|3,0,0]=4 2325 B11R1.28 C=CCCNc1cnccn1 27a_100015191253_100000211759 [0,1,0,0,0,0|3,0,0]=4 2326 B11R1.28 C=CCCNc1ncccn1 27a_100015191253_100000211032 [0,1,0,0,0,0|3,0,0]=4 2327 B11R1.28 C=CCCOc1ccccc1 34a_100000210340_100000754431 [0,1,0,0,0,0|0,0,0]=1 2328 B11R1.28 C=CCCOc1ccccc1 7a_100000210340_100000754431 [0,1,0,0,0,0|0,0,0]=1 2329 B11R1.28 C=CCCOc1cccnc1 34a_100000210849_100000754431 [0,1,0,0,0,0|1,0,0]=2 2330 B11R1.28 C=CCCOc1cccnc1 7a_100000210849_100000754431 [0,1,0,0,0,0|1,0,0]=2 2331 B11R1.28 C=CCCOc1ccncc1 34a_100000212176_100000754431 [0,1,0,0,0,0|1,0,0]=2 2332 B11R1.28 C=CCCOc1ccnnc1 34a_100015204005_100000754431 [0,1,0,0,0,0|2,0,0]=3 2333 B11R1.28 C=CCCOc1cncnc1 7a_100000754086_100000754431 [0,1,0,0,0,0|2,0,0]=3 2334 B11R1.28 C=CCCSc1ccccc1 62a_100000719477_100000754431 [0,1,0,0,0,0|0,1,0]=2 2335 B11R1.28 C=CCCSc1ccccc1 62a_100000754431_100000041952 [0,1,0,0,0,0|0,1,0]=2 2336 B11R1.28 C=CCCSc1ccccn1 62a_100000754431_100011216584 [0,1,0,0,0,0|1,1,0]=3 2337 B11R1.28 C=CCCSc1ccccn1 62a_100011216584_100000754431 [0,1,0,0,0,0|1,1,0]=3 2338 B11R1.28 C=CCCSc1cccnc1 62a_100000210063_100000754431 [0,1,0,0,0,0|1,1,0]=3 2339 B11R1.28 C=CCCSc1cccnc1 62a_100000754431_100000210063 [0,1,0,0,0,0|1,1,0]=3 2340 B11R1.28 C=CCCSc1cccnn1 62a_100000754431_100016991348 [0,1,0,0,0,0|2,1,0]=4 2341 B11R1.28 C=CCCSc1cccnn1 62a_100016991348_100000754431 [0,1,0,0,0,0|2,1,0]=4 2342 B11R1.28 C=CCCSc1ccncc1 62a_100000728582_100000754431 [0,1,0,0,0,0|1,1,0]=3 2343 B11R1.28 C=CCCSc1ccncc1 62a_100000754431_100000728582 [0,1,0,0,0,0|1,1,0]=3 2344 B11R1.28 C=CCCSc1ccncn1 62a_100000703185_100000754431 [0,1,0,0,0,0|2,1,0]=4 2345 B11R1.28 C=CCCSc1ccncn1 62a_100000754431_100000703185 [0,1,0,0,0,0|2,1,0]=4 2346 B11R1.28 C=CCCSc1ccnnc1 62a_100000732662_100000754431 [0,1,0,0,0,0|2,1,0]=4 2347 B11R1.28 C=CCCSc1ccnnc1 62a_100000754431_100000732662 [0,1,0,0,0,0|2,1,0]=4 2348 B11R1.28 C=CCCSc1cnccn1 62a_100000211759_100000754431 [0,1,0,0,0,0|2,1,0]=4 2349 B11R1.28 C=CCCSc1cnccn1 62a_100000754431_100000211759 [0,1,0,0,0,0|2,1,0]=4 2350 B11R1.28 C=CCCSc1cncnc1 62a_100000754431_100011206942 [0,1,0,0,0,0|2,1,0]=4 2351 B11R1.28 C=CCCSc1cncnc1 62a_100011206942_100000754431 [0,1,0,0,0,0|2,1,0]=4 2352 B11R1.28 C=CCCSc1ncccn1 62a_100000211032_100000754431 [0,1,0,0,0,0|2,1,0]=4 2353 B11R1.28 C=CCCSc1ncccn1 62a_100000754431_100000211032 [0,1,0,0,0,0|2,1,0]=4 2354 B11R1.28 C=CCNCc1ccccc1 2230a_100015324214_100000210623 [0,1,0,0,0,0|1,0,0]=2 2355 B11R1.28 C=CCNCc1ccccc1 2230a_100020586998_100015291786 [0,1,0,0,0,0|1,0,0]=2 2356 B11R1.28 C=CCNCc1ccccc1 270004a_100020586998_100015611070 [0,1,0,0,0,0|1,0,0]=2 2357 B11R1.28 C=CCNCc1ccccc1 34a_100015324214_100015514636 [0,1,0,0,0,0|1,0,0]=2 2358 B11R1.28 C=CCNCc1ccccn1 2230a_100020586998_100000721315 [0,1,0,0,0,0|2,0,0]=3 2359 B11R1.28 C=CCNCc1ccccn1 270004a_100020586998_100000209966 [0,1,0,0,0,0|2,0,0]=3 2360 B11R1.28 C=CCNCc1cccnc1 2230a_100020586998_100000741622 [0,1,0,0,0,0|2,0,0]=3 2361 B11R1.28 C=CCNCc1cccnc1 270004a_100020586998_100000209961 [0,1,0,0,0,0|2,0,0]=3 2362 B11R1.28 C=CCNCc1cccnn1 2230a_100020586998_100016990269 [0,1,0,0,0,0|3,0,0]=4 2363 B11R1.28 C=CCNCc1cccnn1 2230a_100159270163_100000210623 [0,1,0,0,0,0|3,0,0]=4 2364 B11R1.28 C=CCNCc1ccncc1 2230a_100020586998_100015193705 [0,1,0,0,0,0|2,0,0]=3 2365 B11R1.28 C=CCNCc1ccnnc1 270004a_100020586998_100011934578 [0,1,0,0,0,0|3,0,0]=4 2366 B11R1.28 C=CCNCc1cnccn1 2230a_100020586998_100016995436 [0,1,0,0,0,0|3,0,0]=4 2367 B11R1.28 C=CCNCc1cnccn1 270004a_100020586998_100000749867 [0,1,0,0,0,0|3,0,0]=4 2368 B11R1.28 C=CCNCc1cncnc1 2230a_100011243677_100000210623 [0,1,0,0,0,0|3,0,0]=4 2369 B11R1.28 C=CCNCc1cncnc1 2230a_100020586998_100015196519 [0,1,0,0,0,0|3,0,0]=4 2370 B11R1.28 C=CCNCc1cncnc1 270004a_100020586998_100000749868 [0,1,0,0,0,0|3,0,0]=4 2371 B11R1.28 C=CCNCc1ncccn1 2230a_100020586998_100000703007 [0,1,0,0,0,0|3,0,0]=4 2372 B11R1.28 C=CCNCc1ncccn1 270004a_100020586998_100011532527 [0,1,0,0,0,0|3,0,0]=4 2373 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [0,1,0,0,0,0|0,0,0]=1 2374 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [0,1,0,0,0,0|0,0,0]=1 2375 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [0,1,0,0,0,0|0,0,0]=1 2376 B11R1.28 C=CCOCc1ccccn1 34a_200000210373_100000721315 [0,1,0,0,0,0|1,0,0]=2 2377 B11R1.28 C=CCOCc1cccnc1 34a_200000210373_100000733263 [0,1,0,0,0,0|1,0,0]=2 2378 B11R1.28 C=CCOCc1cccnn1 34a_200000210373_100016990269 [0,1,0,0,0,0|2,0,0]=3 2379 B11R1.28 C=CCOCc1cnccn1 34a_200000210373_100016995436 [0,1,0,0,0,0|2,0,0]=3 2380 B11R1.28 C=CCOCc1cncnc1 34a_200000210373_100015196519 [0,1,0,0,0,0|2,0,0]=3 2381 B11R1.28 C=CCOCc1ncccn1 34a_200000210373_100000703007 [0,1,0,0,0,0|2,0,0]=3 2382 B11R1.28 C=CCSCc1ccccc1 62a_100000210623_100015291786 [0,1,0,0,0,0|0,1,0]=2 2383 B11R1.28 C=CCSCc1ccccc1 62a_100000211182_100000210623 [0,1,0,0,0,0|0,1,0]=2 2384 B11R1.28 C=CCSCc1ccccn1 62a_100000210623_100000721315 [0,1,0,0,0,0|1,1,0]=3 2385 B11R1.28 C=CCSCc1ccccn1 62a_100000721315_100000210623 [0,1,0,0,0,0|1,1,0]=3 2386 B11R1.28 C=CCSCc1cccnc1 62a_100000210623_100000741622 [0,1,0,0,0,0|1,1,0]=3 2387 B11R1.28 C=CCSCc1cccnc1 62a_100000741622_100000210623 [0,1,0,0,0,0|1,1,0]=3 2388 B11R1.28 C=CCSCc1cccnn1 62a_100000210623_100016990269 [0,1,0,0,0,0|2,1,0]=4 2389 B11R1.28 C=CCSCc1cccnn1 62a_100016990269_100000210623 [0,1,0,0,0,0|2,1,0]=4 2390 B11R1.28 C=CCSCc1ccncc1 62a_100000210623_100015193705 [0,1,0,0,0,0|1,1,0]=3 2391 B11R1.28 C=CCSCc1ccncc1 62a_100015193705_100000210623 [0,1,0,0,0,0|1,1,0]=3 2392 B11R1.28 C=CCSCc1cnccn1 62a_100000210623_100016995436 [0,1,0,0,0,0|2,1,0]=4 2393 B11R1.28 C=CCSCc1cnccn1 62a_100016995436_100000210623 [0,1,0,0,0,0|2,1,0]=4 2394 B11R1.28 C=CCSCc1cncnc1 62a_100000210623_100015196519 [0,1,0,0,0,0|2,1,0]=4 2395 B11R1.28 C=CCSCc1cncnc1 62a_100015196519_100000210623 [0,1,0,0,0,0|2,1,0]=4 2396 B11R1.28 C=CCSCc1ncccn1 62a_100000210623_100000703007 [0,1,0,0,0,0|2,1,0]=4 2397 B11R1.28 C=CCSCc1ncccn1 62a_100000703007_100000210623 [0,1,0,0,0,0|2,1,0]=4 2398 B11R1.28 CC#CCNc1ccccc1 34a_100000106764_100000748600 [0,1,0,0,0,0|1,0,2]=4 2399 B11R1.28 CC#CCOc1ccccc1 34a_100000210340_100000748600 [0,1,0,0,0,0|0,0,2]=3 2400 B11R1.28 CC#CCOc1ccccc1 7a_100000210340_100000748600 [0,1,0,0,0,0|0,0,2]=3 2401 B11R1.28 CC#CCOc1cccnc1 34a_100000210849_100000748600 [0,1,0,0,0,0|1,0,2]=4 2402 B11R1.28 CC#CCOc1cccnc1 7a_100000210849_100000748600 [0,1,0,0,0,0|1,0,2]=4 2403 B11R1.28 CC#CCOc1ccncc1 34a_100000212176_100000748600 [0,1,0,0,0,0|1,0,2]=4 2404 B11R1.28 CC#CCSc1ccccc1 62a_100000719477_100000748600 [0,1,0,0,0,0|0,1,2]=4 2405 B11R1.28 CC#CCSc1ccccc1 62a_100000748600_100000041952 [0,1,0,0,0,0|0,1,2]=4 2406 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [0,1,0,0,0,0|1,0,0]=2 2407 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [0,1,0,0,0,0|0,0,0]=1 2408 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [0,1,0,0,0,0|0,0,0]=1 2409 B11R1.28 CC=CCOc1cccnc1 34a_100000210849_100000070051 [0,1,0,0,0,0|1,0,0]=2 2410 B11R1.28 CC=CCOc1cccnc1 7a_100000210849_100000070051 [0,1,0,0,0,0|1,0,0]=2 2411 B11R1.28 CC=CCOc1ccncc1 34a_100000212176_100000070051 [0,1,0,0,0,0|1,0,0]=2 2412 B11R1.28 CC=CCOc1ccnnc1 34a_100015204005_100000070051 [0,1,0,0,0,0|2,0,0]=3 2413 B11R1.28 CC=CCOc1cncnc1 7a_100000754086_100000070051 [0,1,0,0,0,0|2,0,0]=3 2414 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [0,1,0,0,0,0|0,1,0]=2 2415 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [0,1,0,0,0,0|0,1,0]=2 2416 B11R1.28 CC=CCSc1ccccn1 62a_100000070051_100011216584 [0,1,0,0,0,0|1,1,0]=3 2417 B11R1.28 CC=CCSc1ccccn1 62a_100011216584_100000070051 [0,1,0,0,0,0|1,1,0]=3 2418 B11R1.28 CC=CCSc1cccnc1 62a_100000070051_100000210063 [0,1,0,0,0,0|1,1,0]=3 2419 B11R1.28 CC=CCSc1cccnc1 62a_100000210063_100000070051 [0,1,0,0,0,0|1,1,0]=3 2420 B11R1.28 CC=CCSc1cccnn1 62a_100000070051_100016991348 [0,1,0,0,0,0|2,1,0]=4 2421 B11R1.28 CC=CCSc1cccnn1 62a_100016991348_100000070051 [0,1,0,0,0,0|2,1,0]=4 2422 B11R1.28 CC=CCSc1ccncc1 62a_100000070051_100000728582 [0,1,0,0,0,0|1,1,0]=3 2423 B11R1.28 CC=CCSc1ccncc1 62a_100000728582_100000070051 [0,1,0,0,0,0|1,1,0]=3 2424 B11R1.28 CC=CCSc1ccncn1 62a_100000070051_100000703185 [0,1,0,0,0,0|2,1,0]=4 2425 B11R1.28 CC=CCSc1ccncn1 62a_100000703185_100000070051 [0,1,0,0,0,0|2,1,0]=4 2426 B11R1.28 CC=CCSc1ccnnc1 62a_100000070051_100000732662 [0,1,0,0,0,0|2,1,0]=4 2427 B11R1.28 CC=CCSc1ccnnc1 62a_100000732662_100000070051 [0,1,0,0,0,0|2,1,0]=4 2428 B11R1.28 CC=CCSc1cnccn1 62a_100000070051_100000211759 [0,1,0,0,0,0|2,1,0]=4 2429 B11R1.28 CC=CCSc1cnccn1 62a_100000211759_100000070051 [0,1,0,0,0,0|2,1,0]=4 2430 B11R1.28 CC=CCSc1cncnc1 62a_100000070051_100011206942 [0,1,0,0,0,0|2,1,0]=4 2431 B11R1.28 CC=CCSc1cncnc1 62a_100011206942_100000070051 [0,1,0,0,0,0|2,1,0]=4 2432 B11R1.28 CC=CCSc1ncccn1 62a_100000070051_100000211032 [0,1,0,0,0,0|2,1,0]=4 2433 B11R1.28 CC=CCSc1ncccn1 62a_100000211032_100000070051 [0,1,0,0,0,0|2,1,0]=4 2434 B11R1.28 CC=NNCc1ccccc1 4a_100000007032_200000210099 [0,1,0,0,0,0|2,0,1]=4 2435 B11R1.28 CCC=NNc1ccccc1 4a_100015195140_100000210100 [0,1,0,0,0,0|2,0,1]=4 2436 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [0,1,0,0,0,0|1,0,2]=4 2437 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [0,1,0,0,0,0|1,0,2]=4 2438 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [0,1,0,0,0,0|0,0,2]=3 2439 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [0,1,0,0,0,0|0,0,2]=3 2440 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [0,1,0,0,0,0|1,0,2]=4 2441 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [0,1,0,0,0,0|1,0,2]=4 2442 B11R1.28 CCCCOc1ccncc1 34a_100000212176_100000210210 [0,1,0,0,0,0|1,0,2]=4 2443 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [0,1,0,0,0,0|0,1,2]=4 2444 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [0,1,0,0,0,0|0,1,2]=4 2445 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [0,1,0,0,0,0|1,0,2]=4 2446 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [0,1,0,0,0,0|1,0,2]=4 2447 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [0,1,0,0,0,0|1,0,2]=4 2448 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [0,1,0,0,0,0|1,0,2]=4 2449 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [0,1,0,0,0,0|0,0,2]=3 2450 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [0,1,0,0,0,0|0,0,2]=3 2451 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [0,1,0,0,0,0|0,0,2]=3 2452 B11R1.28 CCCOCc1ccccn1 34a_100000210258_100000721315 [0,1,0,0,0,0|1,0,2]=4 2453 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [0,1,0,0,0,0|1,0,2]=4 2454 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [0,1,0,0,0,0|0,1,2]=4 2455 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [0,1,0,0,0,0|0,1,2]=4 2456 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [0,1,0,0,0,0|1,0,2]=4 2457 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [0,1,0,0,0,0|1,0,2]=4 2458 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [0,1,0,0,0,0|1,0,2]=4 2459 B11R1.28 CCNCSc1ccccc1 2230a_100015525214_100011218342 [0,1,0,0,0,0|0,1,2]=4 2460 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [0,1,0,0,0,0|1,0,2]=4 2461 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [0,1,0,0,0,0|1,0,2]=4 2462 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [0,1,0,0,0,0|1,0,2]=4 2463 B11R1.28 CCOCSc1ccccc1 62a_100000719477_100000739092 [0,1,0,0,0,0|0,1,2]=4 2464 B11R1.28 CCOCSc1ccccc1 62a_100000739092_100000041952 [0,1,0,0,0,0|0,1,2]=4 2465 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [0,1,0,0,0,0|1,0,2]=4 2466 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [0,1,0,0,0,0|1,0,2]=4 2467 B11R1.28 CCSCSc1ccccc1 62a_100000210202_100011218342 [0,1,0,0,0,0|0,1,2]=4 2468 B11R1.28 CCSCSc1ccccc1 62a_100011218342_100000210202 [0,1,0,0,0,0|0,1,2]=4 2469 B11R1.28 CNC/C=C/c1ccccc1 2230a_100020603302_200000210301 [0,1,0,0,0,0|2,0,1]=4 2470 B11R1.28 CNC/C=C/c1ccccc1 2230a_106832991635_100016265936 [0,1,0,0,0,0|2,0,1]=4 2471 B11R1.28 CNC/C=C/c1ccccc1 34a_100020603302_200000210301 [0,1,0,0,0,0|2,0,1]=4 2472 B11R1.28 CNC/C=C/c1ccccc1 34a_100102657272_100016265936 [0,1,0,0,0,0|2,0,1]=4 2473 B11R1.28 CNC/C=C/c1ccccc1 7a_106832991635_100016265936 [0,1,0,0,0,0|2,0,1]=4 2474 B11R1.28 CNCC#Cc1ccccc1 2230a_106832991635_100011352542 [0,1,0,0,0,0|2,0,1]=4 2475 B11R1.28 CNCC#Cc1ccccc1 34a_100000735379_200000210301 [0,1,0,0,0,0|2,0,1]=4 2476 B11R1.28 CNCC#Cc1ccccc1 34a_100102657272_100011352542 [0,1,0,0,0,0|2,0,1]=4 2477 B11R1.28 CNCC#Cc1ccccc1 7a_106832991635_100011352542 [0,1,0,0,0,0|2,0,1]=4 2478 B11R1.28 CNCC=Cc1ccccc1 270004a_106832991635_100000210105 [0,1,0,0,0,0|2,0,1]=4 2479 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [0,1,0,0,0,0|1,0,2]=4 2480 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [0,1,0,0,0,0|1,0,2]=4 2481 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [0,1,0,0,0,0|1,0,2]=4 2482 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [0,1,0,0,0,0|1,0,2]=4 2483 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [0,1,0,0,0,0|1,0,2]=4 2484 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [0,1,0,0,0,0|0,0,2]=3 2485 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [0,1,0,0,0,0|0,0,2]=3 2486 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [0,1,0,0,0,0|0,0,2]=3 2487 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [0,1,0,0,0,0|0,0,2]=3 2488 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [0,1,0,0,0,0|0,0,2]=3 2489 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [0,1,0,0,0,0|0,0,2]=3 2490 B11R1.28 CNCCOc1ccccn1 2230a_106741647558_200000210301 [0,1,0,0,0,0|1,0,2]=4 2491 B11R1.28 CNCCOc1cccnc1 2230a_100000754688_200000210301 [0,1,0,0,0,0|1,0,2]=4 2492 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [0,1,0,0,0,0|0,1,2]=4 2493 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [0,1,0,0,0,0|0,1,2]=4 2494 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [0,1,0,0,0,0|0,1,2]=4 2495 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [0,1,0,0,0,0|0,1,2]=4 2496 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [0,1,0,0,0,0|1,0,1]=3 2497 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [0,1,0,0,0,0|1,0,1]=3 2498 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [0,1,0,0,0,0|1,1,1]=4 2499 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [0,1,0,0,0,0|1,1,1]=4 2500 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [0,1,0,0,0,0|2,0,1]=4 2501 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [0,1,0,0,0,0|2,0,1]=4 2502 B11R1.28 COCC#Cc1ccccc1 34a_100011217464_200000210301 [0,1,0,0,0,0|2,0,1]=4 2503 B11R1.28 COCC#Cc1ccccc1 34a_100138415774_100011352542 [0,1,0,0,0,0|2,0,1]=4 2504 B11R1.28 COCC#Cc1ccccc1 7a_100011217464_200000210301 [0,1,0,0,0,0|2,0,1]=4 2505 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [0,1,0,0,0,0|2,0,1]=4 2506 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [0,1,0,0,0,0|1,0,2]=4 2507 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [0,1,0,0,0,0|1,0,2]=4 2508 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [0,1,0,0,0,0|1,0,2]=4 2509 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [0,1,0,0,0,0|1,0,2]=4 2510 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [0,1,0,0,0,0|1,0,2]=4 2511 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [0,1,0,0,0,0|0,0,2]=3 2512 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [0,1,0,0,0,0|0,0,2]=3 2513 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [0,1,0,0,0,0|0,0,2]=3 2514 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [0,1,0,0,0,0|0,0,2]=3 2515 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [0,1,0,0,0,0|0,0,2]=3 2516 B11R1.28 COCCOc1cccnc1 34a_100000210849_100011201679 [0,1,0,0,0,0|1,0,2]=4 2517 B11R1.28 COCCOc1cccnc1 7a_100000210849_100000233755 [0,1,0,0,0,0|1,0,2]=4 2518 B11R1.28 COCCOc1ccncc1 34a_100000212176_100011201679 [0,1,0,0,0,0|1,0,2]=4 2519 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [0,1,0,0,0,0|0,1,2]=4 2520 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [0,1,0,0,0,0|0,1,2]=4 2521 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [0,1,0,0,0,0|0,1,2]=4 2522 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [0,1,0,0,0,0|0,1,2]=4 2523 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [0,1,0,0,0,0|2,0,1]=4 2524 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [0,1,0,0,0,0|1,0,1]=3 2525 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [0,1,0,0,0,0|1,1,1]=4 2526 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [0,1,0,0,0,0|1,1,1]=4 2527 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [0,1,0,0,0,0|1,1,1]=4 2528 B11R1.28 CSC/C=C/c1ccccc1 62a_100016265936_200000210301 [0,1,0,0,0,0|2,0,1]=4 2529 B11R1.28 CSC/C=C/c1ccccc1 62a_200000210301_100016265936 [0,1,0,0,0,0|2,0,1]=4 2530 B11R1.28 CSCC#Cc1ccccc1 62a_200000210301_100011352542 [0,1,0,0,0,0|2,0,1]=4 2531 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [0,1,0,0,0,0|1,0,2]=4 2532 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [0,1,0,0,0,0|1,0,2]=4 2533 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [0,1,0,0,0,0|1,0,2]=4 2534 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [0,1,0,0,0,0|0,0,2]=3 2535 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [0,1,0,0,0,0|0,0,2]=3 2536 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [0,1,0,0,0,0|0,0,2]=3 2537 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [0,1,0,0,0,0|0,0,2]=3 2538 B11R1.28 CSCCOc1cccnc1 34a_100000210849_100000212216 [0,1,0,0,0,0|1,0,2]=4 2539 B11R1.28 CSCCOc1cccnc1 7a_100000210849_100000212216 [0,1,0,0,0,0|1,0,2]=4 2540 B11R1.28 CSCCOc1ccncc1 34a_100000212176_100000212216 [0,1,0,0,0,0|1,0,2]=4 2541 B11R1.28 CSCCSc1ccccc1 62a_100000212216_100000041952 [0,1,0,0,0,0|0,1,2]=4 2542 B11R1.28 CSCCSc1ccccc1 62a_100000246102_200000210301 [0,1,0,0,0,0|0,1,2]=4 2543 B11R1.28 CSCCSc1ccccc1 62a_100000719477_100000751147 [0,1,0,0,0,0|0,1,2]=4 2544 B11R1.28 CSCCSc1ccccc1 62a_200000210301_100000246102 [0,1,0,0,0,0|0,1,2]=4 2545 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [0,1,0,0,0,0|2,0,1]=4 2546 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [0,1,0,0,0,0|2,0,1]=4 2547 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [0,1,0,0,0,0|1,0,1]=3 2548 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [0,1,0,0,0,0|1,0,1]=3 2549 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [0,1,0,0,0,0|1,0,1]=3 2550 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [0,1,0,0,0,0|1,1,1]=4 2551 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [0,1,0,0,0,0|1,1,1]=4 2552 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [0,1,0,0,0,0|1,1,1]=4 2553 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [0,1,0,0,0,0|1,1,1]=4 2554 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [0,1,0,0,0,0|1,0,2]=4 2555 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [0,1,0,0,0,0|0,0,2]=3 2556 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [0,1,0,0,0,0|0,0,2]=3 2557 B11R1.28 FCCCOc1cccnc1 34a_100000210849_100011934791 [0,1,0,0,0,0|1,0,2]=4 2558 B11R1.28 FCCCOc1cccnc1 7a_100000210849_100011934791 [0,1,0,0,0,0|1,0,2]=4 2559 B11R1.28 FCCCOc1ccncc1 34a_100000212176_100011934791 [0,1,0,0,0,0|1,0,2]=4 2560 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [0,1,0,0,0,0|0,1,2]=4 2561 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [0,1,0,0,0,0|0,1,2]=4 2562 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [0,1,0,0,0,0|2,0,1]=4 2563 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [0,1,0,0,0,0|2,0,1]=4 2564 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [0,1,0,0,0,0|2,0,1]=4 2565 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [0,1,0,0,0,0|1,0,1]=3 2566 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [0,1,0,0,0,0|1,0,1]=3 2567 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [0,1,0,0,0,0|1,1,1]=4 2568 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [0,1,0,0,0,0|1,1,1]=4 2569 B11R1.28 FCNCCc1ccccc1 34a_100000106460_100015361967 [0,1,0,0,0,0|2,0,1]=4 2570 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [0,1,0,0,0,0|2,0,1]=4 2571 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [0,1,0,0,0,0|2,0,1]=4 2572 B11R1.28 FCSCCc1ccccc1 62a_100000765856_100015361967 [0,1,0,0,0,0|2,0,1]=4 2573 B11R1.28 FCSCCc1ccccc1 62a_100015361967_100011218657 [0,1,0,0,0,0|2,0,1]=4 2574 B11R1.28 FCSCSc1ccccc1 62a_100011218342_100015361967 [0,1,0,0,0,0|1,1,1]=4 2575 B11R1.28 FCSCSc1ccccc1 62a_100015361967_100011218342 [0,1,0,0,0,0|1,1,1]=4 2576 B11R1.28 N#CCCOc1ccccc1 7a_100000210340_100000184422 [0,1,0,0,0,0|0,0,2]=3 2577 B11R1.28 N#CCCOc1cccnc1 7a_100000210849_100000184422 [0,1,0,0,0,0|1,0,2]=4 2578 B11R1.28 N#CCCSc1ccccc1 62a_100000719477_100011215226 [0,1,0,0,0,0|0,1,2]=4 2579 B11R1.28 N#CCCSc1ccccc1 62a_100011215226_100000041952 [0,1,0,0,0,0|0,1,2]=4 2580 B11R1.28 N#CCNCc1ccccc1 2230a_100015324214_100011215382 [0,1,0,0,0,0|2,0,1]=4 2581 B11R1.28 N#CCOCc1ccccc1 7a_100000210790_100011215382 [0,1,0,0,0,0|1,0,1]=3 2582 B11R1.28 N#CCSCc1ccccc1 62a_100000211182_100011215382 [0,1,0,0,0,0|1,1,1]=4 2583 B11R1.28 N#CCSCc1ccccc1 62a_100011215382_100015291786 [0,1,0,0,0,0|1,1,1]=4 2584 B11R1.28 N#CSCSc1ccccc1 62a_100000211825_100000041952 [0,1,0,0,0,0|1,1,1]=4 2585 B11R1.28 N#CSCSc1ccccc1 62a_100000719477_100000211825 [0,1,0,0,0,0|1,1,1]=4 2586 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [0,1,0,0,0,0|1,0,1]=3 2587 B11R1.28 NCCOCc1ccccn1 34a_100000210304_100000721315 [0,1,0,0,0,0|2,0,1]=4 2588 B11R1.28 NCCOCc1cccnc1 34a_100000210304_100000733263 [0,1,0,0,0,0|2,0,1]=4 2589 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [0,1,0,0,0,0|2,0,0]=3 2590 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [0,1,0,0,0,0|2,0,0]=3 2591 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [0,1,0,0,0,0|1,0,0]=2 2592 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [0,1,0,0,0,0|1,0,0]=2 2593 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [0,1,0,0,0,0|1,1,0]=3 2594 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [0,1,0,0,0,0|1,1,0]=3 2595 B11R1.28 O=CCSCc1ccccn1 62a_100000721315_200015260668 [0,1,0,0,0,0|2,1,0]=4 2596 B11R1.28 O=CCSCc1ccccn1 62a_200015260668_100000721315 [0,1,0,0,0,0|2,1,0]=4 2597 B11R1.28 O=CCSCc1cccnc1 62a_100000741622_200015260668 [0,1,0,0,0,0|2,1,0]=4 2598 B11R1.28 O=CCSCc1cccnc1 62a_200015260668_100000741622 [0,1,0,0,0,0|2,1,0]=4 2599 B11R1.28 O=CCSCc1ccncc1 62a_100015193705_200015260668 [0,1,0,0,0,0|2,1,0]=4 2600 B11R1.28 O=CCSCc1ccncc1 62a_200015260668_100015193705 [0,1,0,0,0,0|2,1,0]=4 2601 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [0,1,0,0,0,0|1,0,2]=4 2602 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [0,1,0,0,0,0|0,0,2]=3 2603 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [0,1,0,0,0,0|0,0,2]=3 2604 B11R1.28 OCCCOc1cccnc1 34a_100000210849_100000230001 [0,1,0,0,0,0|1,0,2]=4 2605 B11R1.28 OCCCOc1cccnc1 7a_100000210849_100011215043 [0,1,0,0,0,0|1,0,2]=4 2606 B11R1.28 OCCCOc1ccncc1 34a_100000212176_100000230001 [0,1,0,0,0,0|1,0,2]=4 2607 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [0,1,0,0,0,0|0,1,2]=4 2608 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [0,1,0,0,0,0|0,1,2]=4 2609 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [0,1,0,0,0,0|2,0,1]=4 2610 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [0,1,0,0,0,0|2,0,1]=4 2611 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [0,1,0,0,0,0|2,0,1]=4 2612 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [0,1,0,0,0,0|2,0,1]=4 2613 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [0,1,0,0,0,0|2,0,1]=4 2614 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [0,1,0,0,0,0|2,0,1]=4 2615 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [0,1,0,0,0,0|1,0,1]=3 2616 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [0,1,0,0,0,0|1,0,1]=3 2617 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [0,1,0,0,0,0|1,1,1]=4 2618 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [0,1,0,0,0,0|1,1,1]=4 2619 B11R1.28 [13CH3]NC/C=C/c1ccccc1 2230a_100020603302_200025704644 [0,1,0,0,0,0|2,0,1]=4 2620 B11R1.28 [13CH3]NC/C=C/c1ccccc1 34a_100020603302_200025704644 [0,1,0,0,0,0|2,0,1]=4 2621 B11R1.28 [13CH3]NCC#Cc1ccccc1 34a_100000735379_200025704644 [0,1,0,0,0,0|2,0,1]=4 2622 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [0,1,0,0,0,0|1,0,2]=4 2623 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [0,1,0,0,0,0|1,0,2]=4 2624 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [0,1,0,0,0,0|0,0,2]=3 2625 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [0,1,0,0,0,0|0,0,2]=3 2626 B11R1.28 [13CH3]NCCOc1ccccn1 2230a_106741647558_200025704644 [0,1,0,0,0,0|1,0,2]=4 2627 B11R1.28 [13CH3]NCCOc1cccnc1 2230a_100000754688_200025704644 [0,1,0,0,0,0|1,0,2]=4 2628 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [0,1,0,0,0,0|0,1,2]=4 2629 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [0,1,0,0,0,0|2,0,1]=4 2630 B11R1.28 [13CH3]OCC#Cc1ccccc1 34a_100011217464_200025704644 [0,1,0,0,0,0|2,0,1]=4 2631 B11R1.28 [13CH3]OCC#Cc1ccccc1 7a_100011217464_200025704644 [0,1,0,0,0,0|2,0,1]=4 2632 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [0,1,0,0,0,0|1,0,2]=4 2633 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [0,1,0,0,0,0|1,0,2]=4 2634 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [0,1,0,0,0,0|1,0,2]=4 2635 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [0,1,0,0,0,0|0,0,2]=3 2636 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [0,1,0,0,0,0|0,0,2]=3 2637 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [0,1,0,0,0,0|0,1,2]=4 2638 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_100016265936_200025704644 [0,1,0,0,0,0|2,0,1]=4 2639 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_200025704644_100016265936 [0,1,0,0,0,0|2,0,1]=4 2640 B11R1.28 [13CH3]SCC#Cc1ccccc1 62a_200025704644_100011352542 [0,1,0,0,0,0|2,0,1]=4 2641 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [0,1,0,0,0,0|1,0,2]=4 2642 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [0,1,0,0,0,0|1,0,2]=4 2643 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [0,1,0,0,0,0|0,0,2]=3 2644 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [0,1,0,0,0,0|0,0,2]=3 2645 B11R1.28 [13CH3]SCCSc1ccccc1 62a_100000246102_200025704644 [0,1,0,0,0,0|0,1,2]=4 2646 B11R1.28 [13CH3]SCCSc1ccccc1 62a_200025704644_100000246102 [0,1,0,0,0,0|0,1,2]=4 2647 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [0,1,0,0,0,0|1,0,1]=3 2648 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [0,1,0,0,0,0|1,0,1]=3 2649 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [0,1,0,0,0,0|1,1,1]=4 2650 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [0,1,0,0,0,0|1,1,1]=4 2651 B11R1.40 C#CC(C)Nc1ccccc1 34a_100000106764_200000035995 [0,1,0,0,0,0|1,0,2]=4 2652 B11R1.40 C#CC(C)Oc1ccccc1 34a_100000210340_200000035995 [0,1,0,0,0,0|0,0,2]=3 2653 B11R1.40 C#CC(C)Oc1cccnc1 34a_100000210849_200000035995 [0,1,0,0,0,0|1,0,2]=4 2654 B11R1.40 C#CC(C)Oc1ccncc1 34a_100000212176_200000035995 [0,1,0,0,0,0|1,0,2]=4 2655 B11R1.40 C#CC(C)Sc1ccccc1 62a_200000035995_100000041952 [0,1,0,0,0,0|0,1,2]=4 2656 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,1,0,0,0,0|1,0,1]=3 2657 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [0,1,0,0,0,0|2,0,1]=4 2658 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [0,1,0,0,0,0|2,0,1]=4 2659 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [0,1,0,0,0,0|2,0,1]=4 2660 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [0,1,0,0,0,0|1,0,1]=3 2661 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [0,1,0,0,0,0|1,0,1]=3 2662 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [0,1,0,0,0,0|0,1,0]=2 2663 B11R1.40 C=CC(C)Sc1ccccn1 62a_100011215867_100011216584 [0,1,0,0,0,0|1,1,0]=3 2664 B11R1.40 C=CC(C)Sc1cccnc1 62a_100011215867_100000210063 [0,1,0,0,0,0|1,1,0]=3 2665 B11R1.40 C=CC(C)Sc1cccnn1 62a_100011215867_100016991348 [0,1,0,0,0,0|2,1,0]=4 2666 B11R1.40 C=CC(C)Sc1ccncc1 62a_100011215867_100000728582 [0,1,0,0,0,0|1,1,0]=3 2667 B11R1.40 C=CC(C)Sc1ccncn1 62a_100011215867_100000703185 [0,1,0,0,0,0|2,1,0]=4 2668 B11R1.40 C=CC(C)Sc1ccnnc1 62a_100011215867_100000732662 [0,1,0,0,0,0|2,1,0]=4 2669 B11R1.40 C=CC(C)Sc1cnccn1 62a_100011215867_100000211759 [0,1,0,0,0,0|2,1,0]=4 2670 B11R1.40 C=CC(C)Sc1cncnc1 62a_100011215867_100011206942 [0,1,0,0,0,0|2,1,0]=4 2671 B11R1.40 C=CC(C)Sc1ncccn1 62a_100011215867_100000211032 [0,1,0,0,0,0|2,1,0]=4 2672 B11R1.40 CC(C#N)Oc1ccccc1 7a_100000210340_100000703298 [0,1,0,0,0,0|1,0,1]=3 2673 B11R1.40 CC(C#N)Oc1cccnc1 7a_100000210849_100000703298 [0,1,0,0,0,0|2,0,1]=4 2674 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000703298_100000041952 [0,1,0,0,0,0|1,1,1]=4 2675 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000719477_100000703298 [0,1,0,0,0,0|1,1,1]=4 2676 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [0,1,0,0,0,0|2,0,1]=4 2677 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [0,1,0,0,0,0|1,0,1]=3 2678 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [0,1,0,0,0,0|1,0,1]=3 2679 B11R1.40 CC(CO)Oc1cccnc1 34a_100000210849_100012180447 [0,1,0,0,0,0|2,0,1]=4 2680 B11R1.40 CC(CO)Oc1cccnc1 7a_100000210849_100012180447 [0,1,0,0,0,0|2,0,1]=4 2681 B11R1.40 CC(CO)Oc1ccncc1 34a_100000212176_100012180447 [0,1,0,0,0,0|2,0,1]=4 2682 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [0,1,0,0,0,0|1,1,1]=4 2683 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,1,0,0,0,0|2,0,1]=4 2684 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,1,0,0,0,0|2,0,1]=4 2685 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [0,1,0,0,0,0|2,0,1]=4 2686 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [0,1,0,0,0,0|2,0,1]=4 2687 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [0,1,0,0,0,0|1,0,2]=4 2688 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [0,1,0,0,0,0|0,0,2]=3 2689 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [0,1,0,0,0,0|0,0,2]=3 2690 B11R1.40 CCC(C)Oc1cccnc1 34a_100000210849_100011215416 [0,1,0,0,0,0|1,0,2]=4 2691 B11R1.40 CCC(C)Oc1cccnc1 7a_100000210849_100000758301 [0,1,0,0,0,0|1,0,2]=4 2692 B11R1.40 CCC(C)Oc1ccncc1 34a_100000212176_100011215416 [0,1,0,0,0,0|1,0,2]=4 2693 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [0,1,0,0,0,0|0,1,2]=4 2694 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [0,1,0,0,0,0|0,1,2]=4 2695 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [0,1,0,0,0,0|2,0,1]=4 2696 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [0,1,0,0,0,0|2,0,1]=4 2697 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,1,0,0,0,0|2,0,1]=4 2698 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,1,0,0,0,0|2,0,1]=4 2699 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,1,0,0,0,0|2,0,1]=4 2700 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [0,1,0,0,0,0|1,1,1]=4 2701 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [0,1,0,0,0,0|1,1,1]=4 2702 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [0,1,0,0,0,0|2,0,1]=4 2703 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [0,1,0,0,0,0|2,0,1]=4 2704 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [0,1,0,0,0,0|1,1,1]=4 2705 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [0,1,0,0,0,0|1,1,1]=4 2706 B11R1.40 N#CC(F)Sc1ccccc1 62a_100000719477_200000117898 [0,1,0,0,0,0|1,1,1]=4 2707 B11R1.40 N#CC(F)Sc1ccccc1 62a_200000117898_100000041952 [0,1,0,0,0,0|1,1,1]=4 2708 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [0,1,0,0,0,0|1,0,0]=2 2709 B11R1.91 C=C(C)CNc1cccnn1 27a_100000765925_100016991348 [0,1,0,0,0,0|3,0,0]=4 2710 B11R1.91 C=C(C)CNc1ccncn1 27a_100000765925_100000703185 [0,1,0,0,0,0|3,0,0]=4 2711 B11R1.91 C=C(C)CNc1cnccn1 27a_100000765925_100000211759 [0,1,0,0,0,0|3,0,0]=4 2712 B11R1.91 C=C(C)CNc1ncccn1 27a_100000765925_100000211032 [0,1,0,0,0,0|3,0,0]=4 2713 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [0,1,0,0,0,0|0,0,0]=1 2714 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [0,1,0,0,0,0|0,0,0]=1 2715 B11R1.91 C=C(C)COc1cccnc1 34a_100000210849_100000748629 [0,1,0,0,0,0|1,0,0]=2 2716 B11R1.91 C=C(C)COc1cccnc1 7a_100000210849_100000748629 [0,1,0,0,0,0|1,0,0]=2 2717 B11R1.91 C=C(C)COc1ccncc1 34a_100000212176_100000748629 [0,1,0,0,0,0|1,0,0]=2 2718 B11R1.91 C=C(C)COc1ccnnc1 34a_100015204005_100000748629 [0,1,0,0,0,0|2,0,0]=3 2719 B11R1.91 C=C(C)COc1cncnc1 7a_100000754086_100000748629 [0,1,0,0,0,0|2,0,0]=3 2720 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [0,1,0,0,0,0|0,1,0]=2 2721 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [0,1,0,0,0,0|0,1,0]=2 2722 B11R1.91 C=C(C)CSc1ccccn1 62a_100000748629_100011216584 [0,1,0,0,0,0|1,1,0]=3 2723 B11R1.91 C=C(C)CSc1ccccn1 62a_100011216584_100000211660 [0,1,0,0,0,0|1,1,0]=3 2724 B11R1.91 C=C(C)CSc1cccnc1 62a_100000210063_100000211660 [0,1,0,0,0,0|1,1,0]=3 2725 B11R1.91 C=C(C)CSc1cccnc1 62a_100000748629_100000210063 [0,1,0,0,0,0|1,1,0]=3 2726 B11R1.91 C=C(C)CSc1cccnn1 62a_100000748629_100016991348 [0,1,0,0,0,0|2,1,0]=4 2727 B11R1.91 C=C(C)CSc1cccnn1 62a_100016991348_100000211660 [0,1,0,0,0,0|2,1,0]=4 2728 B11R1.91 C=C(C)CSc1ccncc1 62a_100000728582_100000211660 [0,1,0,0,0,0|1,1,0]=3 2729 B11R1.91 C=C(C)CSc1ccncc1 62a_100000748629_100000728582 [0,1,0,0,0,0|1,1,0]=3 2730 B11R1.91 C=C(C)CSc1ccncn1 62a_100000703185_100000211660 [0,1,0,0,0,0|2,1,0]=4 2731 B11R1.91 C=C(C)CSc1ccncn1 62a_100000748629_100000703185 [0,1,0,0,0,0|2,1,0]=4 2732 B11R1.91 C=C(C)CSc1ccnnc1 62a_100000732662_100000211660 [0,1,0,0,0,0|2,1,0]=4 2733 B11R1.91 C=C(C)CSc1ccnnc1 62a_100000748629_100000732662 [0,1,0,0,0,0|2,1,0]=4 2734 B11R1.91 C=C(C)CSc1cnccn1 62a_100000211759_100000211660 [0,1,0,0,0,0|2,1,0]=4 2735 B11R1.91 C=C(C)CSc1cnccn1 62a_100000748629_100000211759 [0,1,0,0,0,0|2,1,0]=4 2736 B11R1.91 C=C(C)CSc1cncnc1 62a_100000748629_100011206942 [0,1,0,0,0,0|2,1,0]=4 2737 B11R1.91 C=C(C)CSc1cncnc1 62a_100011206942_100000211660 [0,1,0,0,0,0|2,1,0]=4 2738 B11R1.91 C=C(C)CSc1ncccn1 62a_100000211032_100000211660 [0,1,0,0,0,0|2,1,0]=4 2739 B11R1.91 C=C(C)CSc1ncccn1 62a_100000748629_100000211032 [0,1,0,0,0,0|2,1,0]=4 2740 B11R1.91 C=C(F)CNc1ccccc1 34a_100000106764_100009893438 [0,1,0,0,0,0|1,0,0]=2 2741 B11R1.91 C=C(F)COc1ccccc1 34a_100000210340_100009893438 [0,1,0,0,0,0|0,0,0]=1 2742 B11R1.91 C=C(F)COc1ccccc1 7a_100000210340_100000042424 [0,1,0,0,0,0|0,0,0]=1 2743 B11R1.91 C=C(F)COc1cccnc1 34a_100000210849_100009893438 [0,1,0,0,0,0|1,0,0]=2 2744 B11R1.91 C=C(F)COc1cccnc1 7a_100000210849_100000042424 [0,1,0,0,0,0|1,0,0]=2 2745 B11R1.91 C=C(F)COc1ccncc1 34a_100000212176_100009893438 [0,1,0,0,0,0|1,0,0]=2 2746 B11R1.91 C=C(F)COc1ccnnc1 34a_100015204005_100009893438 [0,1,0,0,0,0|2,0,0]=3 2747 B11R1.91 C=C(F)COc1cncnc1 7a_100000754086_100000042424 [0,1,0,0,0,0|2,0,0]=3 2748 B11R1.91 C=C(F)CSc1ccccc1 62a_100000042424_100000041952 [0,1,0,0,0,0|0,1,0]=2 2749 B11R1.91 C=C(F)CSc1ccccc1 62a_100000719477_100000042424 [0,1,0,0,0,0|0,1,0]=2 2750 B11R1.91 C=C(F)CSc1ccccn1 62a_100000042424_100011216584 [0,1,0,0,0,0|1,1,0]=3 2751 B11R1.91 C=C(F)CSc1ccccn1 62a_100011216584_100000042424 [0,1,0,0,0,0|1,1,0]=3 2752 B11R1.91 C=C(F)CSc1cccnc1 62a_100000042424_100000210063 [0,1,0,0,0,0|1,1,0]=3 2753 B11R1.91 C=C(F)CSc1cccnc1 62a_100000210063_100000042424 [0,1,0,0,0,0|1,1,0]=3 2754 B11R1.91 C=C(F)CSc1cccnn1 62a_100000042424_100016991348 [0,1,0,0,0,0|2,1,0]=4 2755 B11R1.91 C=C(F)CSc1cccnn1 62a_100016991348_100000042424 [0,1,0,0,0,0|2,1,0]=4 2756 B11R1.91 C=C(F)CSc1ccncc1 62a_100000042424_100000728582 [0,1,0,0,0,0|1,1,0]=3 2757 B11R1.91 C=C(F)CSc1ccncc1 62a_100000728582_100000042424 [0,1,0,0,0,0|1,1,0]=3 2758 B11R1.91 C=C(F)CSc1ccncn1 62a_100000042424_100000703185 [0,1,0,0,0,0|2,1,0]=4 2759 B11R1.91 C=C(F)CSc1ccncn1 62a_100000703185_100000042424 [0,1,0,0,0,0|2,1,0]=4 2760 B11R1.91 C=C(F)CSc1ccnnc1 62a_100000042424_100000732662 [0,1,0,0,0,0|2,1,0]=4 2761 B11R1.91 C=C(F)CSc1ccnnc1 62a_100000732662_100000042424 [0,1,0,0,0,0|2,1,0]=4 2762 B11R1.91 C=C(F)CSc1cnccn1 62a_100000042424_100000211759 [0,1,0,0,0,0|2,1,0]=4 2763 B11R1.91 C=C(F)CSc1cnccn1 62a_100000211759_100000042424 [0,1,0,0,0,0|2,1,0]=4 2764 B11R1.91 C=C(F)CSc1cncnc1 62a_100000042424_100011206942 [0,1,0,0,0,0|2,1,0]=4 2765 B11R1.91 C=C(F)CSc1cncnc1 62a_100011206942_100000042424 [0,1,0,0,0,0|2,1,0]=4 2766 B11R1.91 C=C(F)CSc1ncccn1 62a_100000042424_100000211032 [0,1,0,0,0,0|2,1,0]=4 2767 B11R1.91 C=C(F)CSc1ncccn1 62a_100000211032_100000042424 [0,1,0,0,0,0|2,1,0]=4 2768 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [0,1,0,0,0,0|1,0,2]=4 2769 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,1,0,0,0,0|1,0,2]=4 2770 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,1,0,0,0,0|1,0,1]=3 2771 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,1,0,0,0,0|1,0,1]=3 2772 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,1,0,0,0,0|2,0,1]=4 2773 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,1,0,0,0,0|2,0,1]=4 2774 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,1,0,0,0,0|2,0,1]=4 2775 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,1,0,0,0,0|2,0,1]=4 2776 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [0,1,0,0,0,0|2,0,1]=4 2777 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [0,1,0,0,0,0|2,0,1]=4 2778 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,1,0,0,0,0|0,0,1]=2 2779 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [0,1,0,0,0,0|1,0,1]=3 2780 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [0,1,0,0,0,0|1,0,1]=3 2781 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,1,0,0,0,0|0,1,1]=3 2782 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [0,1,0,0,0,0|1,1,1]=4 2783 B11R1.91 CC(=O)CSc1ccncc1 1458a_100000211328_200000210301 [0,1,0,0,0,0|1,1,1]=4 2784 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,1,0,0,0,0|2,0,1]=4 2785 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,1,0,0,0,0|2,0,1]=4 2786 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,1,0,0,0,0|2,0,1]=4 2787 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,1,0,0,0,0|2,0,1]=4 2788 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [0,1,0,0,0,0|2,0,1]=4 2789 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [0,1,0,0,0,0|1,0,2]=4 2790 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [0,1,0,0,0,0|0,0,2]=3 2791 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [0,1,0,0,0,0|0,0,2]=3 2792 B11R1.91 CC(C)COc1cccnc1 34a_100000210849_100000210624 [0,1,0,0,0,0|1,0,2]=4 2793 B11R1.91 CC(C)COc1cccnc1 7a_100000210849_100000210760 [0,1,0,0,0,0|1,0,2]=4 2794 B11R1.91 CC(C)COc1ccncc1 34a_100000212176_100000210624 [0,1,0,0,0,0|1,0,2]=4 2795 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [0,1,0,0,0,0|0,1,2]=4 2796 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [0,1,0,0,0,0|0,1,2]=4 2797 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [0,1,0,0,0,0|1,0,2]=4 2798 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [0,1,0,0,0,0|0,0,2]=3 2799 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [0,1,0,0,0,0|0,0,2]=3 2800 B11R1.91 CC(O)COc1cccnc1 34a_100000210849_100011218427 [0,1,0,0,0,0|1,0,2]=4 2801 B11R1.91 CC(O)COc1cccnc1 7a_100000210849_100011218427 [0,1,0,0,0,0|1,0,2]=4 2802 B11R1.91 CC(O)COc1ccncc1 34a_100000212176_100011218427 [0,1,0,0,0,0|1,0,2]=4 2803 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [0,1,0,0,0,0|0,1,2]=4 2804 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [0,1,0,0,0,0|0,1,2]=4 2805 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [0,1,0,0,0,0|2,0,1]=4 2806 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [0,1,0,0,0,0|2,0,1]=4 2807 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [0,1,0,0,0,0|2,0,1]=4 2808 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [0,1,0,0,0,0|2,0,1]=4 2809 B11R1.91 CN(C)CSc1ccccc1 2230a_100102631434_100011218342 [0,1,0,0,0,0|1,1,1]=4 2810 B11R1.91 CN(C)CSc1ccccc1 269982a_100102631434_100011218342 [0,1,0,0,0,0|1,1,1]=4 2811 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [0,1,0,0,0,0|2,0,1]=4 2812 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [0,1,0,0,0,0|2,0,1]=4 2813 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [0,1,0,0,0,0|1,0,2]=4 2814 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [0,1,0,0,0,0|0,0,2]=3 2815 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [0,1,0,0,0,0|0,0,2]=3 2816 B11R1.91 C[C@@H](O)COc1cccnc1 34a_100000210849_100009817552 [0,1,0,0,0,0|1,0,2]=4 2817 B11R1.91 C[C@@H](O)COc1cccnc1 7a_100000210849_100009817552 [0,1,0,0,0,0|1,0,2]=4 2818 B11R1.91 C[C@@H](O)COc1ccncc1 34a_100000212176_100009817552 [0,1,0,0,0,0|1,0,2]=4 2819 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [0,1,0,0,0,0|0,1,2]=4 2820 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [0,1,0,0,0,0|0,1,2]=4 2821 B11R1.91 FC(F)CNc1ccccc1 34a_100000106764_100011934356 [0,1,0,0,0,0|2,0,1]=4 2822 B11R1.91 FC(F)COc1ccccc1 34a_100000210340_100011934356 [0,1,0,0,0,0|1,0,1]=3 2823 B11R1.91 FC(F)COc1ccccc1 7a_100000210340_100011934356 [0,1,0,0,0,0|1,0,1]=3 2824 B11R1.91 FC(F)COc1cccnc1 34a_100000210849_100011934356 [0,1,0,0,0,0|2,0,1]=4 2825 B11R1.91 FC(F)COc1cccnc1 7a_100000210849_100011934356 [0,1,0,0,0,0|2,0,1]=4 2826 B11R1.91 FC(F)COc1ccncc1 34a_100000212176_100011934356 [0,1,0,0,0,0|2,0,1]=4 2827 B11R1.91 FC(F)CSc1ccccc1 62a_100000719477_100011934356 [0,1,0,0,0,0|1,1,1]=4 2828 B11R1.91 FC(F)CSc1ccccc1 62a_100011934356_100000041952 [0,1,0,0,0,0|1,1,1]=4 2829 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [0,1,0,0,0,0|2,0,0]=3 2830 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [0,1,0,0,0,0|1,0,0]=2 2831 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [0,1,0,0,0,0|1,0,0]=2 2832 B11R1.91 NC(=O)COc1cccnc1 34a_100000210849_100000187820 [0,1,0,0,0,0|2,0,0]=3 2833 B11R1.91 NC(=O)COc1cccnc1 7a_100000210849_100000187820 [0,1,0,0,0,0|2,0,0]=3 2834 B11R1.91 NC(=O)COc1ccncc1 34a_100000212176_100000187820 [0,1,0,0,0,0|2,0,0]=3 2835 B11R1.91 NC(=O)COc1ccnnc1 34a_100015204005_100000187820 [0,1,0,0,0,0|3,0,0]=4 2836 B11R1.91 NC(=O)COc1cncnc1 7a_100000754086_100000187820 [0,1,0,0,0,0|3,0,0]=4 2837 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [0,1,0,0,0,0|1,1,0]=3 2838 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [0,1,0,0,0,0|1,1,0]=3 2839 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [0,1,0,0,0,0|2,1,0]=4 2840 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [0,1,0,0,0,0|2,1,0]=4 2841 B11R1.91 NC(=O)CSc1cccnc1 62a_100000210063_100000747473 [0,1,0,0,0,0|2,1,0]=4 2842 B11R1.91 NC(=O)CSc1cccnc1 62a_100000747473_100000210063 [0,1,0,0,0,0|2,1,0]=4 2843 B11R1.91 NC(=O)CSc1ccncc1 62a_100000728582_100000747473 [0,1,0,0,0,0|2,1,0]=4 2844 B11R1.91 NC(=O)CSc1ccncc1 62a_100000747473_100000728582 [0,1,0,0,0,0|2,1,0]=4 2845 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [0,1,0,0,0,0|2,0,0]=3 2846 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [0,1,0,0,0,0|1,0,0]=2 2847 B11R1.91 O=C([O-])COc1cccnc1 34a_100000210849_100020667443 [0,1,0,0,0,0|2,0,0]=3 2848 B11R1.91 O=C([O-])COc1ccncc1 34a_100000212176_100020667443 [0,1,0,0,0,0|2,0,0]=3 2849 B11R1.91 O=C([O-])COc1ccnnc1 34a_100015204005_100020667443 [0,1,0,0,0,0|3,0,0]=4 2850 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [0,1,0,0,0,0|1,1,0]=3 2851 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [0,1,0,0,0,0|1,1,0]=3 2852 B11R1.91 O=C([O-])CSc1ccccn1 62a_100011216584_100020667443 [0,1,0,0,0,0|2,1,0]=4 2853 B11R1.91 O=C([O-])CSc1ccccn1 62a_100020667443_100011216584 [0,1,0,0,0,0|2,1,0]=4 2854 B11R1.91 O=C([O-])CSc1cccnc1 62a_100000210063_100020667443 [0,1,0,0,0,0|2,1,0]=4 2855 B11R1.91 O=C([O-])CSc1cccnc1 62a_100020667443_100000210063 [0,1,0,0,0,0|2,1,0]=4 2856 B11R1.91 O=C([O-])CSc1ccncc1 62a_100000728582_100020667443 [0,1,0,0,0,0|2,1,0]=4 2857 B11R1.91 O=C([O-])CSc1ccncc1 62a_100020667443_100000728582 [0,1,0,0,0,0|2,1,0]=4 2858 B11R1.91 O=[N+]([O-])CNc1ccccc1 34a_100000106764_100000761209 [0,1,0,0,0,0|3,0,0]=4 2859 B11R1.91 O=[N+]([O-])COc1ccccc1 34a_100000210340_100000761209 [0,1,0,0,0,0|2,0,0]=3 2860 B11R1.91 O=[N+]([O-])COc1cccnc1 34a_100000210849_100000761209 [0,1,0,0,0,0|3,0,0]=4 2861 B11R1.91 O=[N+]([O-])COc1ccncc1 34a_100000212176_100000761209 [0,1,0,0,0,0|3,0,0]=4 2862 B11R1.91 O=[N+]([O-])CSc1ccccc1 62a_100000719477_100000761209 [0,1,0,0,0,0|2,1,0]=4 2863 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [0,1,0,0,0,0|1,0,2]=4 2864 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,1,0,0,0,0|1,0,2]=4 2865 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,1,0,0,0,0|1,0,1]=3 2866 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,1,0,0,0,0|2,0,1]=4 2867 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,1,0,0,0,0|2,0,1]=4 2868 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [0,1,0,0,0,0|2,0,1]=4 2869 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,1,0,0,0,0|0,0,1]=2 2870 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [0,1,0,0,0,0|1,0,1]=3 2871 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [0,1,0,0,0,0|1,0,1]=3 2872 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,1,0,0,0,0|0,1,1]=3 2873 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [0,1,0,0,0,0|1,1,1]=4 2874 B11R1.91 [13CH3]C(=O)CSc1ccncc1 1458a_100000211328_200025704644 [0,1,0,0,0,0|1,1,1]=4 2875 B9R0.18 C=CC=CC(=O)CCC=C 1458a_100016291481_100000754431 [0,0,1,0,0,0|2,0,0]=3 2876 B9R0.18 C=CC=CC(=O)NCC=C 1626a_100020586998_100016291481 [0,0,1,0,0,0|2,0,0]=3 2877 B9R0.40 C=CCC(C=C)OCC=O 34a_100000038011_200009817547 [0,0,1,0,0,0|1,0,2]=4 2878 B9R0.40 C=CCC(C=C)OCC=O 7a_100000038011_200015260668 [0,0,1,0,0,0|1,0,2]=4 2879 B9R0.40 C=CCOC(C=C)CC=C 34a_100000038011_100015514636 [0,0,1,0,0,0|0,0,2]=3 2880 B9R0.40 C=CCOC(C=C)CC=C 7a_100000038011_100015514636 [0,0,1,0,0,0|0,0,2]=3 2881 B9R0.45 C/C=C/C=C/COCC=O 34a_100016283227_200009817547 [0,0,1,0,0,0|1,0,2]=4 2882 B9R0.45 C=CCOC/C=C/C=C/C 34a_100016283227_100015514636 [0,0,1,0,0,0|0,0,2]=3 2883 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [0,0,0,1,0,0|1,0,1]=3 2884 B11R2.1 Oc1coc2c1nccc2 271570a_203496583355_100009889148 [0,0,0,1,0,0|2,0,1]=4 2885 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [0,0,0,1,0,0|1,1,1]=4 2886 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [0,0,0,1,0,0|3,0,0]=4 2887 B11R2.238 c1cc(ccn1)OC2CC2 34a_100000212176_100000211595 [0,0,0,1,0,0|1,0,2]=4 2888 B11R2.238 c1ccc(cc1)NC2CC2 34a_100000106764_100000211595 [0,0,0,1,0,0|1,0,2]=4 2889 B11R2.238 c1ccc(cc1)OC2CC2 34a_100000210340_100000211595 [0,0,0,1,0,0|0,0,2]=3 2890 B11R2.238 c1ccc(cc1)SC2CC2 62a_100000719477_100000211595 [0,0,0,1,0,0|0,1,2]=4 2891 B11R2.238 c1cncc(c1)OC2CC2 34a_100000210849_100000211595 [0,0,0,1,0,0|1,0,2]=4 2892 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [0,0,0,1,0,0|2,0,1]=4 2893 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [0,0,0,1,0,0|2,0,1]=4 2894 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [0,0,0,1,0,0|2,0,1]=4 2895 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [0,0,0,1,0,0|2,0,1]=4 2896 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [0,0,0,1,0,0|2,0,1]=4 2897 B9R1.12 C#CCOc1ccsc1 34a_100000106738_100000184674 [0,0,0,0,1,0|1,0,2]=4 2898 B9R1.12 C#CCOc1ccsc1 7a_100000106738_100000038162 [0,0,0,0,1,0|1,0,2]=4 2899 B9R1.12 C=CCOc1ccsc1 34a_100000106738_100015514636 [0,0,0,0,1,0|1,0,0]=2 2900 B9R1.12 C=CCOc1ccsc1 7a_100000106738_100015514636 [0,0,0,0,1,0|1,0,0]=2 2901 B9R1.12 C=CCSc1c[nH]cn1 62a_100000210623_100000756875 [0,0,0,0,1,0|2,1,0]=4 2902 B9R1.12 C=CCSc1c[nH]cn1 62a_100000756875_100000210623 [0,0,0,0,1,0|2,1,0]=4 2903 B9R1.12 C=CCSc1cc[nH]n1 62a_100000062575_100000210623 [0,0,0,0,1,0|2,1,0]=4 2904 B9R1.12 C=CCSc1cc[nH]n1 62a_100000210623_100000062575 [0,0,0,0,1,0|2,1,0]=4 2905 B9R1.12 C=CCSc1ccco1 62a_100000210623_100009814098 [0,0,0,0,1,0|1,1,0]=3 2906 B9R1.12 C=CCSc1ccco1 62a_100009814098_100000210623 [0,0,0,0,1,0|1,1,0]=3 2907 B9R1.12 C=CCSc1cccs1 62a_100000210623_100011215356 [0,0,0,0,1,0|1,1,0]=3 2908 B9R1.12 C=CCSc1cccs1 62a_100011215356_100000210623 [0,0,0,0,1,0|1,1,0]=3 2909 B9R1.12 C=CCSc1ccoc1 62a_100000210623_100011215275 [0,0,0,0,1,0|1,1,0]=3 2910 B9R1.12 C=CCSc1ccoc1 62a_100011215275_100000210623 [0,0,0,0,1,0|1,1,0]=3 2911 B9R1.12 C=CCSc1ccon1 62a_100000210623_100009818083 [0,0,0,0,1,0|2,1,0]=4 2912 B9R1.12 C=CCSc1ccon1 62a_100009818083_100000210623 [0,0,0,0,1,0|2,1,0]=4 2913 B9R1.12 C=CCSc1ccsc1 62a_100000210623_100000738268 [0,0,0,0,1,0|1,1,0]=3 2914 B9R1.12 C=CCSc1ccsc1 62a_100000738268_100000210623 [0,0,0,0,1,0|1,1,0]=3 2915 B9R1.12 C=CCSc1ccsn1 62a_100000210623_100009818082 [0,0,0,0,1,0|2,1,0]=4 2916 B9R1.12 C=CCSc1ccsn1 62a_100009818082_100000210623 [0,0,0,0,1,0|2,1,0]=4 2917 B9R1.12 C=CCSc1cn[nH]c1 62a_100000210623_100000238712 [0,0,0,0,1,0|2,1,0]=4 2918 B9R1.12 C=CCSc1cn[nH]c1 62a_100000238712_100000210623 [0,0,0,0,1,0|2,1,0]=4 2919 B9R1.12 C=CCSc1cnco1 62a_100000210623_100020591547 [0,0,0,0,1,0|2,1,0]=4 2920 B9R1.12 C=CCSc1cnco1 62a_100020591547_100000210623 [0,0,0,0,1,0|2,1,0]=4 2921 B9R1.12 C=CCSc1cncs1 62a_100000210623_100011934649 [0,0,0,0,1,0|2,1,0]=4 2922 B9R1.12 C=CCSc1cncs1 62a_100011934649_100000210623 [0,0,0,0,1,0|2,1,0]=4 2923 B9R1.12 C=CCSc1cnoc1 62a_100000210623_100009815712 [0,0,0,0,1,0|2,1,0]=4 2924 B9R1.12 C=CCSc1cnoc1 62a_100009815712_100000210623 [0,0,0,0,1,0|2,1,0]=4 2925 B9R1.12 C=CCSc1cnsc1 62a_100000210623_100009815736 [0,0,0,0,1,0|2,1,0]=4 2926 B9R1.12 C=CCSc1cnsc1 62a_100009815736_100000210623 [0,0,0,0,1,0|2,1,0]=4 2927 B9R1.12 C=CCSc1cscn1 62a_100000210623_100000751502 [0,0,0,0,1,0|2,1,0]=4 2928 B9R1.12 C=CCSc1cscn1 62a_100000751502_100000210623 [0,0,0,0,1,0|2,1,0]=4 2929 B9R1.12 C=CCSc1ncc[nH]1 62a_100000210623_100025796157 [0,0,0,0,1,0|2,1,0]=4 2930 B9R1.12 C=CCSc1ncc[nH]1 62a_100025796157_100000210623 [0,0,0,0,1,0|2,1,0]=4 2931 B9R1.12 C=CCSc1ncco1 62a_100000210623_100011787736 [0,0,0,0,1,0|2,1,0]=4 2932 B9R1.12 C=CCSc1ncco1 62a_100011787736_100000210623 [0,0,0,0,1,0|2,1,0]=4 2933 B9R1.12 C=CCSc1nccs1 62a_100000210623_100000211983 [0,0,0,0,1,0|2,1,0]=4 2934 B9R1.12 C=CCSc1nccs1 62a_100000211983_100000210623 [0,0,0,0,1,0|2,1,0]=4 2935 B9R1.12 CCCOc1ccsc1 34a_100000106738_100000210303 [0,0,0,0,1,0|1,0,2]=4 2936 B9R1.12 CCCOc1ccsc1 7a_100000106738_100000210303 [0,0,0,0,1,0|1,0,2]=4 2937 B9R1.12 CSCOc1ccsc1 34a_100000106738_100011218213 [0,0,0,0,1,0|2,0,1]=4 2938 B9R1.12 FCCOc1ccsc1 34a_100000106738_100011217306 [0,0,0,0,1,0|2,0,1]=4 2939 B9R1.12 FCCOc1ccsc1 7a_100000106738_100011217306 [0,0,0,0,1,0|2,0,1]=4 2940 B9R1.12 N#CCOc1ccsc1 7a_100000106738_100011215382 [0,0,0,0,1,0|2,0,1]=4 2941 B9R1.12 O=CCOc1ccsc1 34a_100000106738_200009817547 [0,0,0,0,1,0|2,0,0]=3 2942 B9R1.12 O=CCOc1ccsc1 7a_100000106738_200015260668 [0,0,0,0,1,0|2,0,0]=3 2943 B9R1.12 O=CCSc1ccco1 62a_100009814098_200015260668 [0,0,0,0,1,0|2,1,0]=4 2944 B9R1.12 O=CCSc1ccco1 62a_200015260668_100009814098 [0,0,0,0,1,0|2,1,0]=4 2945 B9R1.12 O=CCSc1cccs1 62a_100011215356_200015260668 [0,0,0,0,1,0|2,1,0]=4 2946 B9R1.12 O=CCSc1cccs1 62a_200015260668_100011215356 [0,0,0,0,1,0|2,1,0]=4 2947 B9R1.12 O=CCSc1ccoc1 62a_100011215275_200015260668 [0,0,0,0,1,0|2,1,0]=4 2948 B9R1.12 O=CCSc1ccoc1 62a_200015260668_100011215275 [0,0,0,0,1,0|2,1,0]=4 2949 B9R1.12 O=CCSc1ccsc1 62a_100000738268_200015260668 [0,0,0,0,1,0|2,1,0]=4 2950 B9R1.12 O=CCSc1ccsc1 62a_200015260668_100000738268 [0,0,0,0,1,0|2,1,0]=4 2951 B9R1.12 OCCOc1ccsc1 34a_100000106738_100000211926 [0,0,0,0,1,0|2,0,1]=4 2952 B9R1.12 OCCOc1ccsc1 7a_100000106738_100000211926 [0,0,0,0,1,0|2,0,1]=4 2953 B8R0.1 C=CC=CC(=O)CC=C 1458a_100016291481_100000210623 [1,0,1,0,0,0|1,0,0]=3 2954 B8R0.11 C=CC(C=C)OCC=O 34a_100000033096_200009817547 [1,0,1,0,0,0|1,0,1]=4 2955 B8R0.11 C=CCOC(C=C)C=C 34a_100000033096_100015514636 [1,0,1,0,0,0|0,0,1]=3 2956 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|0,0,0]=2 2957 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [2,0,0,0,0,0|1,0,0]=3 2958 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [2,0,0,0,0,0|1,0,0]=3 2959 B8R1.2 C=Cc1cccnn1 271570a_100011290941_100016991348 [2,0,0,0,0,0|2,0,0]=4 2960 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [2,0,0,0,0,0|1,0,0]=3 2961 B8R1.2 C=Cc1ccncn1 271570a_100011290941_100000703185 [2,0,0,0,0,0|2,0,0]=4 2962 B8R1.2 C=Cc1ccnnc1 271570a_100011290941_100000732662 [2,0,0,0,0,0|2,0,0]=4 2963 B8R1.2 C=Cc1cnccn1 271570a_100011290941_100000758340 [2,0,0,0,0,0|2,0,0]=4 2964 B8R1.2 C=Cc1cncnc1 271570a_100011290941_100011206942 [2,0,0,0,0,0|2,0,0]=4 2965 B8R1.2 C=Cc1ncccn1 271570a_100011290941_100000211032 [2,0,0,0,0,0|2,0,0]=4 2966 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|1,0,0]=3 2967 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|0,0,0]=2 2968 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|0,0,0]=2 2969 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [2,0,0,0,0,0|1,0,0]=3 2970 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [2,0,0,0,0,0|1,0,0]=3 2971 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [2,0,0,0,0,0|1,0,0]=3 2972 B8R1.2 COc1ccnnc1 34a_100015204005_200000210301 [2,0,0,0,0,0|2,0,0]=4 2973 B8R1.2 COc1cncnc1 7a_100000754086_200000210301 [2,0,0,0,0,0|2,0,0]=4 2974 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|0,1,0]=3 2975 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|0,1,0]=3 2976 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [2,0,0,0,0,0|1,1,0]=4 2977 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [2,0,0,0,0,0|1,1,0]=4 2978 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [2,0,0,0,0,0|1,1,0]=4 2979 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [2,0,0,0,0,0|1,1,0]=4 2980 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [2,0,0,0,0,0|1,1,0]=4 2981 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [2,0,0,0,0,0|1,1,0]=4 2982 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|1,0,0]=3 2983 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|0,0,0]=2 2984 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|0,0,0]=2 2985 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [2,0,0,0,0,0|1,0,0]=3 2986 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [2,0,0,0,0,0|1,0,0]=3 2987 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [2,0,0,0,0,0|1,0,0]=3 2988 B8R1.2 [13CH3]Oc1ccnnc1 34a_100015204005_200025704644 [2,0,0,0,0,0|2,0,0]=4 2989 B8R1.2 [13CH3]Oc1cncnc1 7a_100000754086_200025704644 [2,0,0,0,0,0|2,0,0]=4 2990 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|0,1,0]=3 2991 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|0,1,0]=3 2992 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [2,0,0,0,0,0|1,1,0]=4 2993 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [2,0,0,0,0,0|1,1,0]=4 2994 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [2,0,0,0,0,0|1,1,0]=4 2995 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [2,0,0,0,0,0|1,1,0]=4 2996 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [2,0,0,0,0,0|1,1,0]=4 2997 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [2,0,0,0,0,0|1,1,0]=4 2998 B10R0.18 C=CCOC(=O)CC(=O)C=C 1458a_100000185746_100000033060 [0,1,1,0,0,0|1,0,1]=4 2999 B10R0.19 C=CC=CC(=O)N(C)CC=C 1626a_100000225617_100016291481 [0,1,1,0,0,0|2,0,0]=4 3000 B10R0.78 C=CC=CC(=O)CCC(=C)C 1458a_100016291481_100000730704 [0,1,1,0,0,0|2,0,0]=4 3001 B10R0.78 C=CC=CC(=O)NCC(=C)C 1626a_100000765925_100016291481 [0,1,1,0,0,0|2,0,0]=4 3002 B10R0.91 C=CC=CC(=O)CCCC=C 1458a_100016291481_100000757094 [0,1,1,0,0,0|2,0,0]=4 3003 B10R0.91 C=CC=CC(=O)CCOC=C 1458a_100016291481_100000039644 [0,1,1,0,0,0|2,0,0]=4 3004 B10R0.91 C=CC=CC(=O)NCCC=C 1626a_100015191253_100016291481 [0,1,1,0,0,0|2,0,0]=4 3005 B10R0.91 C=CC=CC(=O)NNCC=C 22a_100020588587_100016291481 [0,1,1,0,0,0|2,0,0]=4 3006 B10R0.91 C=CCCC(=O)C=C/C=C/C 1458a_100000185730_100000754431 [0,1,1,0,0,0|2,0,0]=4 3007 B10R0.91 C=CCNC(=O)C=C/C=C/C 1626a_100020586998_100000185730 [0,1,1,0,0,0|2,0,0]=4 3008 B10R0.91 C=CCNC(=O)C=C/C=C/C 240690a_100020586998_100000185730 [0,1,1,0,0,0|2,0,0]=4 3009 B10R0.24 C=CCC(C=C)OC/C=C/C 34a_100000038011_100102629194 [0,1,1,0,0,0|0,0,2]=4 3010 B10R0.24 C=CCC(C=C)OC/C=C/C 7a_100000038011_100102629194 [0,1,1,0,0,0|0,0,2]=4 3011 B10R0.24 C=CCC(C=C)OCC=CC 34a_100000038011_100000070051 [0,1,1,0,0,0|0,0,2]=4 3012 B10R0.24 C=CCC(C=C)OCC=CC 7a_100000038011_100000070051 [0,1,1,0,0,0|0,0,2]=4 3013 B10R0.24 C=CCCOC(C=C)CC=C 34a_100000038011_100000754431 [0,1,1,0,0,0|0,0,2]=4 3014 B10R0.24 C=CCCOC(C=C)CC=C 7a_100000038011_100000754431 [0,1,1,0,0,0|0,0,2]=4 3015 B10R0.27 C=CCC(C=C)OCC(=C)C 34a_100000038011_100000748629 [0,1,1,0,0,0|0,0,2]=4 3016 B10R0.27 C=CCC(C=C)OCC(=C)C 7a_100000038011_100000748629 [0,1,1,0,0,0|0,0,2]=4 3017 B10R0.27 C=CCC(C=C)OCC(=C)F 34a_100000038011_100009893438 [0,1,1,0,0,0|0,0,2]=4 3018 B10R0.27 C=CCC(C=C)OCC(=C)F 7a_100000038011_100000042424 [0,1,1,0,0,0|0,0,2]=4 3019 B10R0.90 C=CCOC(CC=C)CC=C 7a_100011215198_100015514636 [0,1,1,0,0,0|0,0,2]=4 3020 B10R0.4 C=C(C)COC/C=C/C=C/C 34a_100016283227_100000748629 [0,1,1,0,0,0|0,0,2]=4 3021 B10R0.4 C=C(F)COC/C=C/C=C/C 34a_100016283227_100009893438 [0,1,1,0,0,0|0,0,2]=4 3022 B10R0.71 C/C=C/C=C/COC/C=C/C 34a_100016283227_100102629194 [0,1,1,0,0,0|0,0,2]=4 3023 B10R0.71 C=CCCOC/C=C/C=C/C 34a_100016283227_100000754431 [0,1,1,0,0,0|0,0,2]=4 3024 B10R0.71 CC=CCOC/C=C/C=C/C 34a_100016283227_100000070051 [0,1,1,0,0,0|0,0,2]=4 3025 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [1,1,0,0,0,0|0,0,2]=4 3026 B10R1.1 C=C=Cc1ccc(cc1)Br 271570a_100015277604_100000752885 [1,1,0,0,0,0|0,0,2]=4 3027 B10R1.1 C=C=Cc1ccc(cc1)C 271570a_100015277604_100000186775 [1,1,0,0,0,0|0,0,2]=4 3028 B10R1.1 C=C=Cc1ccc(cc1)Cl 271570a_100015277604_100000755918 [1,1,0,0,0,0|0,0,2]=4 3029 B10R1.1 C=C=Cc1ccc(cc1)F 271570a_100015277604_100000211213 [1,1,0,0,0,0|0,0,2]=4 3030 B10R1.1 C=C=Cc1ccc(cc1)N 271570a_100015277604_100000185761 [1,1,0,0,0,0|0,0,2]=4 3031 B10R1.1 C=C=Cc1ccc(cc1)O 271570a_100015277604_100000185759 [1,1,0,0,0,0|0,0,2]=4 3032 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [1,1,0,0,0,0|0,0,2]=4 3033 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [1,1,0,0,0,0|0,0,2]=4 3034 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [1,1,0,0,0,0|0,0,2]=4 3035 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [1,1,0,0,0,0|0,0,2]=4 3036 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [1,1,0,0,0,0|0,0,2]=4 3037 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [1,1,0,0,0,0|0,0,2]=4 3038 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [1,1,0,0,0,0|0,0,2]=4 3039 B10R1.1 CCNc1ccc(cc1)Br 2230a_100000210018_100000210202 [1,1,0,0,0,0|1,0,1]=4 3040 B10R1.1 CCNc1ccc(cc1)Br 34a_100000210018_100000210202 [1,1,0,0,0,0|1,0,1]=4 3041 B10R1.1 CCNc1ccc(cc1)C 34a_100000124888_100000210202 [1,1,0,0,0,0|1,0,1]=4 3042 B10R1.1 CCNc1ccc(cc1)Cl 2230a_100000210052_100000210202 [1,1,0,0,0,0|1,0,1]=4 3043 B10R1.1 CCNc1ccc(cc1)Cl 34a_100000210052_100000210202 [1,1,0,0,0,0|1,0,1]=4 3044 B10R1.1 CCNc1ccc(cc1)F 34a_100000185862_100000210202 [1,1,0,0,0,0|1,0,1]=4 3045 B10R1.1 CCNc1ccc(cc1)I 34a_100000185761_100000210202 [1,1,0,0,0,0|1,0,1]=4 3046 B10R1.1 CCNc1ccc(cc1)O 271570a_203496583355_100000219632 [1,1,0,0,0,0|1,0,1]=4 3047 B10R1.1 CCNc1ccc(cc1)O 34a_100000185829_100000210202 [1,1,0,0,0,0|1,0,1]=4 3048 B10R1.1 CCOc1ccc(=O)[nH]c1 34a_100000075641_100000210202 [1,1,0,0,0,0|1,0,1]=4 3049 B10R1.1 CCOc1ccc(cc1)Br 34a_100000185759_100000210202 [1,1,0,0,0,0|0,0,1]=3 3050 B10R1.1 CCOc1ccc(cc1)Br 7a_100000185759_100000210202 [1,1,0,0,0,0|0,0,1]=3 3051 B10R1.1 CCOc1ccc(cc1)C 34a_100000210336_100000210202 [1,1,0,0,0,0|0,0,1]=3 3052 B10R1.1 CCOc1ccc(cc1)C 7a_100000210336_100000210202 [1,1,0,0,0,0|0,0,1]=3 3053 B10R1.1 CCOc1ccc(cc1)Cl 34a_100000210216_100000210202 [1,1,0,0,0,0|0,0,1]=3 3054 B10R1.1 CCOc1ccc(cc1)Cl 7a_100000210216_100000210202 [1,1,0,0,0,0|0,0,1]=3 3055 B10R1.1 CCOc1ccc(cc1)F 34a_100000210339_100000210202 [1,1,0,0,0,0|0,0,1]=3 3056 B10R1.1 CCOc1ccc(cc1)I 34a_100000212066_100000210202 [1,1,0,0,0,0|0,0,1]=3 3057 B10R1.1 CCOc1ccc(cc1)I 7a_100000212066_100000210202 [1,1,0,0,0,0|0,0,1]=3 3058 B10R1.1 CCOc1ccc(cc1)N 34a_100000185829_100000210202 [1,1,0,0,0,0|0,0,1]=3 3059 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [1,1,0,0,0,0|0,0,1]=3 3060 B10R1.1 CCOc1ccc(cn1)C 34a_100000759353_100000210202 [1,1,0,0,0,0|1,0,1]=4 3061 B10R1.1 CCOc1ccc(cn1)Cl 34a_100011215309_100000210202 [1,1,0,0,0,0|1,0,1]=4 3062 B10R1.1 CCOc1ccc(cn1)F 34a_100000742473_100000210202 [1,1,0,0,0,0|1,0,1]=4 3063 B10R1.1 CCOc1ccc(cn1)N 34a_100000729260_100000210202 [1,1,0,0,0,0|1,0,1]=4 3064 B10R1.1 CCOc1ccc(cn1)O 271570a_203496583355_100011219444 [1,1,0,0,0,0|1,0,1]=4 3065 B10R1.1 CCOc1ccc(nc1)Br 34a_100000685995_100000210202 [1,1,0,0,0,0|1,0,1]=4 3066 B10R1.1 CCOc1ccc(nc1)Br 7a_100000685995_100000210202 [1,1,0,0,0,0|1,0,1]=4 3067 B10R1.1 CCOc1ccc(nc1)C 34a_100000745506_100000210202 [1,1,0,0,0,0|1,0,1]=4 3068 B10R1.1 CCOc1ccc(nc1)C 7a_100000745506_100000210202 [1,1,0,0,0,0|1,0,1]=4 3069 B10R1.1 CCOc1ccc(nc1)Cl 34a_100000744096_100000210202 [1,1,0,0,0,0|1,0,1]=4 3070 B10R1.1 CCOc1ccc(nc1)Cl 7a_100000744096_100000210202 [1,1,0,0,0,0|1,0,1]=4 3071 B10R1.1 CCOc1ccc(nc1)F 34a_100000688820_100000210202 [1,1,0,0,0,0|1,0,1]=4 3072 B10R1.1 CCOc1ccc(nc1)F 7a_100000688820_100000210202 [1,1,0,0,0,0|1,0,1]=4 3073 B10R1.1 CCOc1ccc(nc1)I 34a_100000687607_100000210202 [1,1,0,0,0,0|1,0,1]=4 3074 B10R1.1 CCOc1ccc(nc1)I 7a_100000687607_100000210202 [1,1,0,0,0,0|1,0,1]=4 3075 B10R1.1 CCOc1ccc(nc1)N 34a_100015188713_100000210202 [1,1,0,0,0,0|1,0,1]=4 3076 B10R1.1 CCOc1ccc(nc1)N 7a_100015188713_100000210202 [1,1,0,0,0,0|1,0,1]=4 3077 B10R1.1 CCOc1ccc(nc1)O 271570a_203496583355_100000753957 [1,1,0,0,0,0|1,0,1]=4 3078 B10R1.1 CCSc1ccc(cc1)Br 62a_100000210202_100000752885 [1,1,0,0,0,0|0,1,1]=4 3079 B10R1.1 CCSc1ccc(cc1)Br 62a_100000752885_100000210202 [1,1,0,0,0,0|0,1,1]=4 3080 B10R1.1 CCSc1ccc(cc1)C 62a_100000186775_100000210202 [1,1,0,0,0,0|0,1,1]=4 3081 B10R1.1 CCSc1ccc(cc1)C 62a_100000210202_100000186775 [1,1,0,0,0,0|0,1,1]=4 3082 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000210202_100000755918 [1,1,0,0,0,0|0,1,1]=4 3083 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000755918_100000210202 [1,1,0,0,0,0|0,1,1]=4 3084 B10R1.1 CCSc1ccc(cc1)F 62a_100000210202_100000211213 [1,1,0,0,0,0|0,1,1]=4 3085 B10R1.1 CCSc1ccc(cc1)F 62a_100000211213_100000210202 [1,1,0,0,0,0|0,1,1]=4 3086 B10R1.1 CCSc1ccc(cc1)N 62a_100000185761_100000210202 [1,1,0,0,0,0|0,1,1]=4 3087 B10R1.1 CCSc1ccc(cc1)N 62a_100000210202_100000185761 [1,1,0,0,0,0|0,1,1]=4 3088 B10R1.1 CCSc1ccc(cc1)O 271570a_203496583355_200009811893 [1,1,0,0,0,0|0,1,1]=4 3089 B10R1.1 CCSc1ccc(cc1)O 62a_100000210202_100000185759 [1,1,0,0,0,0|0,1,1]=4 3090 B10R1.1 CNCc1ccc(cc1)Br 207a_100102657272_100000186029 [1,1,0,0,0,0|1,0,1]=4 3091 B10R1.1 CNCc1ccc(cc1)Br 2230a_100000174875_200000210301 [1,1,0,0,0,0|1,0,1]=4 3092 B10R1.1 CNCc1ccc(cc1)Br 2230a_106832991635_100011217064 [1,1,0,0,0,0|1,0,1]=4 3093 B10R1.1 CNCc1ccc(cc1)Br 26a_100102657272_100000185759 [1,1,0,0,0,0|1,0,1]=4 3094 B10R1.1 CNCc1ccc(cc1)Br 270004a_106832991635_100000186029 [1,1,0,0,0,0|1,0,1]=4 3095 B10R1.1 CNCc1ccc(cc1)Br 34a_100000174875_200000210301 [1,1,0,0,0,0|1,0,1]=4 3096 B10R1.1 CNCc1ccc(cc1)Br 34a_100102657272_100000189115 [1,1,0,0,0,0|1,0,1]=4 3097 B10R1.1 CNCc1ccc(cc1)Br 7a_106832991635_100011217064 [1,1,0,0,0,0|1,0,1]=4 3098 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [1,1,0,0,0,0|1,0,1]=4 3099 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [1,1,0,0,0,0|1,0,1]=4 3100 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [1,1,0,0,0,0|1,0,1]=4 3101 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [1,1,0,0,0,0|1,0,1]=4 3102 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [1,1,0,0,0,0|1,0,1]=4 3103 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [1,1,0,0,0,0|1,0,1]=4 3104 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [1,1,0,0,0,0|1,0,1]=4 3105 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [1,1,0,0,0,0|1,0,1]=4 3106 B10R1.1 CNCc1ccc(cc1)Cl 207a_100102657272_100000189385 [1,1,0,0,0,0|1,0,1]=4 3107 B10R1.1 CNCc1ccc(cc1)Cl 2230a_100000174871_200000210301 [1,1,0,0,0,0|1,0,1]=4 3108 B10R1.1 CNCc1ccc(cc1)Cl 2230a_106832991635_100000694040 [1,1,0,0,0,0|1,0,1]=4 3109 B10R1.1 CNCc1ccc(cc1)Cl 270004a_106832991635_100000189385 [1,1,0,0,0,0|1,0,1]=4 3110 B10R1.1 CNCc1ccc(cc1)Cl 34a_100000174871_200000210301 [1,1,0,0,0,0|1,0,1]=4 3111 B10R1.1 CNCc1ccc(cc1)Cl 34a_100102657272_100000694040 [1,1,0,0,0,0|1,0,1]=4 3112 B10R1.1 CNCc1ccc(cc1)Cl 7a_106832991635_100000187161 [1,1,0,0,0,0|1,0,1]=4 3113 B10R1.1 CNCc1ccc(cc1)F 207a_100102657272_100000210084 [1,1,0,0,0,0|1,0,1]=4 3114 B10R1.1 CNCc1ccc(cc1)F 2230a_100000174882_200000210301 [1,1,0,0,0,0|1,0,1]=4 3115 B10R1.1 CNCc1ccc(cc1)F 2230a_106832991635_100000198546 [1,1,0,0,0,0|1,0,1]=4 3116 B10R1.1 CNCc1ccc(cc1)F 270004a_106832991635_100000210084 [1,1,0,0,0,0|1,0,1]=4 3117 B10R1.1 CNCc1ccc(cc1)F 34a_100000174882_200000210301 [1,1,0,0,0,0|1,0,1]=4 3118 B10R1.1 CNCc1ccc(cc1)F 34a_100102657272_100000198546 [1,1,0,0,0,0|1,0,1]=4 3119 B10R1.1 CNCc1ccc(cc1)F 7a_106832991635_100000198546 [1,1,0,0,0,0|1,0,1]=4 3120 B10R1.1 CNCc1ccc(cc1)I 207a_100102657272_100000188517 [1,1,0,0,0,0|1,0,1]=4 3121 B10R1.1 CNCc1ccc(cc1)I 2230a_100016989417_200000210301 [1,1,0,0,0,0|1,0,1]=4 3122 B10R1.1 CNCc1ccc(cc1)I 2230a_106832991635_100000189116 [1,1,0,0,0,0|1,0,1]=4 3123 B10R1.1 CNCc1ccc(cc1)I 34a_100016989417_200000210301 [1,1,0,0,0,0|1,0,1]=4 3124 B10R1.1 CNCc1ccc(cc1)I 34a_100102657272_100000189116 [1,1,0,0,0,0|1,0,1]=4 3125 B10R1.1 CNCc1ccc(cc1)I 7a_106832991635_100000189116 [1,1,0,0,0,0|1,0,1]=4 3126 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [1,1,0,0,0,0|1,0,1]=4 3127 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [1,1,0,0,0,0|1,0,1]=4 3128 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [1,1,0,0,0,0|1,0,1]=4 3129 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [1,1,0,0,0,0|1,0,1]=4 3130 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [1,1,0,0,0,0|1,0,1]=4 3131 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [1,1,0,0,0,0|1,0,1]=4 3132 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [1,1,0,0,0,0|1,0,1]=4 3133 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [1,1,0,0,0,0|1,0,1]=4 3134 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [1,1,0,0,0,0|1,0,1]=4 3135 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [1,1,0,0,0,0|1,0,1]=4 3136 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [1,1,0,0,0,0|1,0,1]=4 3137 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [1,1,0,0,0,0|1,0,1]=4 3138 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [1,1,0,0,0,0|1,0,1]=4 3139 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [1,1,0,0,0,0|1,0,1]=4 3140 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [1,1,0,0,0,0|1,0,1]=4 3141 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [1,1,0,0,0,0|1,0,1]=4 3142 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [1,1,0,0,0,0|1,0,1]=4 3143 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [1,1,0,0,0,0|1,0,1]=4 3144 B10R1.1 CSCc1ccc(cc1)Br 62a_100000189115_200000210301 [1,1,0,0,0,0|1,0,1]=4 3145 B10R1.1 CSCc1ccc(cc1)Br 62a_200000210301_100000189115 [1,1,0,0,0,0|1,0,1]=4 3146 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [1,1,0,0,0,0|1,0,1]=4 3147 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [1,1,0,0,0,0|1,0,1]=4 3148 B10R1.1 CSCc1ccc(cc1)Cl 62a_100000187161_200000210301 [1,1,0,0,0,0|1,0,1]=4 3149 B10R1.1 CSCc1ccc(cc1)Cl 62a_200000210301_100000187161 [1,1,0,0,0,0|1,0,1]=4 3150 B10R1.1 CSCc1ccc(cc1)F 62a_100000198546_200000210301 [1,1,0,0,0,0|1,0,1]=4 3151 B10R1.1 CSCc1ccc(cc1)F 62a_200000210301_100000187164 [1,1,0,0,0,0|1,0,1]=4 3152 B10R1.1 CSCc1ccc(cc1)I 62a_100000189116_200000210301 [1,1,0,0,0,0|1,0,1]=4 3153 B10R1.1 CSCc1ccc(cc1)I 62a_200000210301_100000189116 [1,1,0,0,0,0|1,0,1]=4 3154 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [1,1,0,0,0,0|1,0,1]=4 3155 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [1,1,0,0,0,0|1,0,1]=4 3156 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [1,1,0,0,0,0|1,0,1]=4 3157 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [1,1,0,0,0,0|1,0,1]=4 3158 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [1,1,0,0,0,0|1,0,1]=4 3159 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [1,1,0,0,0,0|1,0,1]=4 3160 B10R1.1 Cc1ccc(cc1)NCF 34a_100000124888_100015361967 [1,1,0,0,0,0|2,0,0]=4 3161 B10R1.1 Cc1ccc(cc1)OCF 34a_100000210336_100015361967 [1,1,0,0,0,0|1,0,0]=3 3162 B10R1.1 Cc1ccc(cc1)OCF 7a_100000210336_100015361967 [1,1,0,0,0,0|1,0,0]=3 3163 B10R1.1 Cc1ccc(cc1)SCF 62a_100000186775_100015361967 [1,1,0,0,0,0|1,1,0]=4 3164 B10R1.1 Cc1ccc(cc1)SCF 62a_100015361967_100000186775 [1,1,0,0,0,0|1,1,0]=4 3165 B10R1.1 Cc1ccc(cn1)OCF 34a_100000745506_100015361967 [1,1,0,0,0,0|2,0,0]=4 3166 B10R1.1 Cc1ccc(cn1)OCF 7a_100000745506_100015361967 [1,1,0,0,0,0|2,0,0]=4 3167 B10R1.1 Cc1ccc(nc1)OCF 34a_100000759353_100015361967 [1,1,0,0,0,0|2,0,0]=4 3168 B10R1.1 FCNc1ccc(cc1)Br 34a_100000210018_100015361967 [1,1,0,0,0,0|2,0,0]=4 3169 B10R1.1 FCNc1ccc(cc1)Cl 34a_100000210052_100015361967 [1,1,0,0,0,0|2,0,0]=4 3170 B10R1.1 FCNc1ccc(cc1)F 34a_100000185862_100015361967 [1,1,0,0,0,0|2,0,0]=4 3171 B10R1.1 FCNc1ccc(cc1)I 34a_100000185761_100015361967 [1,1,0,0,0,0|2,0,0]=4 3172 B10R1.1 FCOc1ccc(cc1)Br 34a_100000185759_100015361967 [1,1,0,0,0,0|1,0,0]=3 3173 B10R1.1 FCOc1ccc(cc1)Br 7a_100000185759_100015361967 [1,1,0,0,0,0|1,0,0]=3 3174 B10R1.1 FCOc1ccc(cc1)Cl 34a_100000210216_100015361967 [1,1,0,0,0,0|1,0,0]=3 3175 B10R1.1 FCOc1ccc(cc1)Cl 7a_100000210216_100015361967 [1,1,0,0,0,0|1,0,0]=3 3176 B10R1.1 FCOc1ccc(cc1)F 34a_100000210339_100015361967 [1,1,0,0,0,0|1,0,0]=3 3177 B10R1.1 FCOc1ccc(cc1)I 34a_100000212066_100015361967 [1,1,0,0,0,0|1,0,0]=3 3178 B10R1.1 FCOc1ccc(cc1)I 7a_100000212066_100015361967 [1,1,0,0,0,0|1,0,0]=3 3179 B10R1.1 FCOc1ccc(cn1)Cl 34a_100011215309_100015361967 [1,1,0,0,0,0|2,0,0]=4 3180 B10R1.1 FCOc1ccc(cn1)F 34a_100000742473_100015361967 [1,1,0,0,0,0|2,0,0]=4 3181 B10R1.1 FCOc1ccc(nc1)Br 34a_100000685995_100015361967 [1,1,0,0,0,0|2,0,0]=4 3182 B10R1.1 FCOc1ccc(nc1)Br 7a_100000685995_100015361967 [1,1,0,0,0,0|2,0,0]=4 3183 B10R1.1 FCOc1ccc(nc1)Cl 34a_100000744096_100015361967 [1,1,0,0,0,0|2,0,0]=4 3184 B10R1.1 FCOc1ccc(nc1)Cl 7a_100000744096_100015361967 [1,1,0,0,0,0|2,0,0]=4 3185 B10R1.1 FCOc1ccc(nc1)F 34a_100000688820_100015361967 [1,1,0,0,0,0|2,0,0]=4 3186 B10R1.1 FCOc1ccc(nc1)F 7a_100000688820_100015361967 [1,1,0,0,0,0|2,0,0]=4 3187 B10R1.1 FCOc1ccc(nc1)I 34a_100000687607_100015361967 [1,1,0,0,0,0|2,0,0]=4 3188 B10R1.1 FCOc1ccc(nc1)I 7a_100000687607_100015361967 [1,1,0,0,0,0|2,0,0]=4 3189 B10R1.1 FCSc1ccc(cc1)Br 62a_100000752885_100015361967 [1,1,0,0,0,0|1,1,0]=4 3190 B10R1.1 FCSc1ccc(cc1)Br 62a_100015361967_100000752885 [1,1,0,0,0,0|1,1,0]=4 3191 B10R1.1 FCSc1ccc(cc1)Cl 62a_100000755918_100015361967 [1,1,0,0,0,0|1,1,0]=4 3192 B10R1.1 FCSc1ccc(cc1)Cl 62a_100015361967_100000755918 [1,1,0,0,0,0|1,1,0]=4 3193 B10R1.1 FCSc1ccc(cc1)F 62a_100000211213_100015361967 [1,1,0,0,0,0|1,1,0]=4 3194 B10R1.1 FCSc1ccc(cc1)F 62a_100015361967_100000211213 [1,1,0,0,0,0|1,1,0]=4 3195 B10R1.1 N#CCc1ccc(cc1)O 271570a_203496583355_100011217881 [1,1,0,0,0,0|1,0,1]=4 3196 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [1,1,0,0,0,0|1,0,1]=4 3197 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [1,1,0,0,0,0|2,0,0]=4 3198 B10R1.1 Nc1ccc(cc1)OCF 34a_100000185829_100015361967 [1,1,0,0,0,0|1,0,0]=3 3199 B10R1.1 Nc1ccc(cc1)SCF 62a_100000185761_100015361967 [1,1,0,0,0,0|1,1,0]=4 3200 B10R1.1 Nc1ccc(cc1)SCF 62a_100015361967_100000185761 [1,1,0,0,0,0|1,1,0]=4 3201 B10R1.1 Nc1ccc(cn1)OCF 34a_100015188713_100015361967 [1,1,0,0,0,0|2,0,0]=4 3202 B10R1.1 Nc1ccc(cn1)OCF 7a_100015188713_100015361967 [1,1,0,0,0,0|2,0,0]=4 3203 B10R1.1 Nc1ccc(nc1)OCF 34a_100000729260_100015361967 [1,1,0,0,0,0|2,0,0]=4 3204 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [1,1,0,0,0,0|1,0,0]=3 3205 B10R1.1 O=c1ccc(c[nH]1)OCF 34a_100000075641_100015361967 [1,1,0,0,0,0|2,0,0]=4 3206 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [1,1,0,0,0,0|1,0,1]=4 3207 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [1,1,0,0,0,0|1,0,1]=4 3208 B10R1.1 Oc1ccc(cc1)NCF 34a_100000185829_100015361967 [1,1,0,0,0,0|2,0,0]=4 3209 B10R1.1 Oc1ccc(cc1)SCF 62a_100015361967_100000185759 [1,1,0,0,0,0|1,1,0]=4 3210 B10R1.1 [13CH3]NCc1ccc(cc1)Br 2230a_100000174875_200025704644 [1,1,0,0,0,0|1,0,1]=4 3211 B10R1.1 [13CH3]NCc1ccc(cc1)Br 34a_100000174875_200025704644 [1,1,0,0,0,0|1,0,1]=4 3212 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 2230a_100000174871_200025704644 [1,1,0,0,0,0|1,0,1]=4 3213 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 34a_100000174871_200025704644 [1,1,0,0,0,0|1,0,1]=4 3214 B10R1.1 [13CH3]NCc1ccc(cc1)F 2230a_100000174882_200025704644 [1,1,0,0,0,0|1,0,1]=4 3215 B10R1.1 [13CH3]NCc1ccc(cc1)F 34a_100000174882_200025704644 [1,1,0,0,0,0|1,0,1]=4 3216 B10R1.1 [13CH3]NCc1ccc(cc1)I 2230a_100016989417_200025704644 [1,1,0,0,0,0|1,0,1]=4 3217 B10R1.1 [13CH3]NCc1ccc(cc1)I 34a_100016989417_200025704644 [1,1,0,0,0,0|1,0,1]=4 3218 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [1,1,0,0,0,0|1,0,1]=4 3219 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [1,1,0,0,0,0|1,0,1]=4 3220 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [1,1,0,0,0,0|1,0,1]=4 3221 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [1,1,0,0,0,0|1,0,1]=4 3222 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [1,1,0,0,0,0|1,0,1]=4 3223 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [1,1,0,0,0,0|1,0,1]=4 3224 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [1,1,0,0,0,0|1,0,1]=4 3225 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [1,1,0,0,0,0|1,0,1]=4 3226 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [1,1,0,0,0,0|1,0,1]=4 3227 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_100000189115_200025704644 [1,1,0,0,0,0|1,0,1]=4 3228 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_200025704644_100000189115 [1,1,0,0,0,0|1,0,1]=4 3229 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_100000187161_200025704644 [1,1,0,0,0,0|1,0,1]=4 3230 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_200025704644_100000187161 [1,1,0,0,0,0|1,0,1]=4 3231 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_100000198546_200025704644 [1,1,0,0,0,0|1,0,1]=4 3232 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_200025704644_100000187164 [1,1,0,0,0,0|1,0,1]=4 3233 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_100000189116_200025704644 [1,1,0,0,0,0|1,0,1]=4 3234 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_200025704644_100000189116 [1,1,0,0,0,0|1,0,1]=4 3235 B10R1.4 C=C=Cc1ccccc1Br 271570a_100015277604_100000695589 [1,1,0,0,0,0|0,0,2]=4 3236 B10R1.4 C=C=Cc1ccccc1C 271570a_100015277604_100000210755 [1,1,0,0,0,0|0,0,2]=4 3237 B10R1.4 C=C=Cc1ccccc1Cl 271570a_100015277604_100000764095 [1,1,0,0,0,0|0,0,2]=4 3238 B10R1.4 C=C=Cc1ccccc1F 271570a_100015277604_100011215700 [1,1,0,0,0,0|0,0,2]=4 3239 B10R1.4 C=C=Cc1ccccc1N 271570a_100015277604_100000210017 [1,1,0,0,0,0|0,0,2]=4 3240 B10R1.4 C=C=Cc1ccccc1O 271570a_100015277604_100000739446 [1,1,0,0,0,0|0,0,2]=4 3241 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,1,0,0,0,0|0,0,0]=2 3242 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,1,0,0,0,0|0,0,2]=4 3243 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,1,0,0,0,0|0,0,2]=4 3244 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,1,0,0,0,0|0,0,2]=4 3245 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,1,0,0,0,0|0,0,2]=4 3246 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,1,0,0,0,0|0,0,2]=4 3247 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,1,0,0,0,0|0,0,2]=4 3248 B10R1.4 CCNc1ccccc1Br 34a_100000210017_100000210202 [1,1,0,0,0,0|1,0,1]=4 3249 B10R1.4 CCNc1ccccc1C 34a_100015192222_100000210202 [1,1,0,0,0,0|1,0,1]=4 3250 B10R1.4 CCNc1ccccc1Cl 34a_100000185783_100000210202 [1,1,0,0,0,0|1,0,1]=4 3251 B10R1.4 CCNc1ccccc1F 34a_100000210422_100000210202 [1,1,0,0,0,0|1,0,1]=4 3252 B10R1.4 CCNc1ccccc1I 34a_100000210053_100000210202 [1,1,0,0,0,0|1,0,1]=4 3253 B10R1.4 CCNc1ccccc1O 271570a_203496583355_114873767003 [1,1,0,0,0,0|1,0,1]=4 3254 B10R1.4 CCNc1ccccc1O 34a_100000185747_100000210202 [1,1,0,0,0,0|1,0,1]=4 3255 B10R1.4 CCOc1cccc[n+]1[O-] 7a_100000211761_100000210202 [1,1,0,0,0,0|1,0,1]=4 3256 B10R1.4 CCOc1ccccc1Br 34a_100000181306_100000210202 [1,1,0,0,0,0|0,0,1]=3 3257 B10R1.4 CCOc1ccccc1Br 7a_100000181306_100000210202 [1,1,0,0,0,0|0,0,1]=3 3258 B10R1.4 CCOc1ccccc1C 34a_100000210338_100000210202 [1,1,0,0,0,0|0,0,1]=3 3259 B10R1.4 CCOc1ccccc1C 7a_100000210338_100000210202 [1,1,0,0,0,0|0,0,1]=3 3260 B10R1.4 CCOc1ccccc1Cl 34a_100000210172_100000210202 [1,1,0,0,0,0|0,0,1]=3 3261 B10R1.4 CCOc1ccccc1Cl 7a_100000210172_100000210202 [1,1,0,0,0,0|0,0,1]=3 3262 B10R1.4 CCOc1ccccc1F 34a_100000210171_100000210202 [1,1,0,0,0,0|0,0,1]=3 3263 B10R1.4 CCOc1ccccc1F 7a_100000210171_100000210202 [1,1,0,0,0,0|0,0,1]=3 3264 B10R1.4 CCOc1ccccc1I 34a_100000739446_100000210202 [1,1,0,0,0,0|0,0,1]=3 3265 B10R1.4 CCOc1ccccc1I 7a_100000739446_100000210202 [1,1,0,0,0,0|0,0,1]=3 3266 B10R1.4 CCOc1ccccc1N 34a_100000185747_100000210202 [1,1,0,0,0,0|0,0,1]=3 3267 B10R1.4 CCOc1ccccc1N 7a_100000185747_100000210202 [1,1,0,0,0,0|0,0,1]=3 3268 B10R1.4 CCOc1ccccc1O 271570a_203496583355_100000230754 [1,1,0,0,0,0|0,0,1]=3 3269 B10R1.4 CCOc1cccnc1Br 34a_100000744436_100000210202 [1,1,0,0,0,0|1,0,1]=4 3270 B10R1.4 CCOc1cccnc1Br 7a_100000744436_100000210202 [1,1,0,0,0,0|1,0,1]=4 3271 B10R1.4 CCOc1cccnc1C 34a_100000745507_100000210202 [1,1,0,0,0,0|1,0,1]=4 3272 B10R1.4 CCOc1cccnc1C 7a_100000745507_100000210202 [1,1,0,0,0,0|1,0,1]=4 3273 B10R1.4 CCOc1cccnc1Cl 34a_100000757616_100000210202 [1,1,0,0,0,0|1,0,1]=4 3274 B10R1.4 CCOc1cccnc1Cl 7a_100000757616_100000210202 [1,1,0,0,0,0|1,0,1]=4 3275 B10R1.4 CCOc1cccnc1F 34a_100000061740_100000210202 [1,1,0,0,0,0|1,0,1]=4 3276 B10R1.4 CCOc1cccnc1F 7a_100000061740_100000210202 [1,1,0,0,0,0|1,0,1]=4 3277 B10R1.4 CCOc1cccnc1I 34a_100000034122_100000210202 [1,1,0,0,0,0|1,0,1]=4 3278 B10R1.4 CCOc1cccnc1I 7a_100000034122_100000210202 [1,1,0,0,0,0|1,0,1]=4 3279 B10R1.4 CCOc1cccnc1N 34a_100000211975_100000210202 [1,1,0,0,0,0|1,0,1]=4 3280 B10R1.4 CCOc1cccnc1N 7a_100000211975_100000210202 [1,1,0,0,0,0|1,0,1]=4 3281 B10R1.4 CCOc1cccnc1O 271570a_203496583355_100011597540 [1,1,0,0,0,0|1,0,1]=4 3282 B10R1.4 CCOc1cccoc1=O 34a_100000077404_100000210202 [1,1,0,0,0,0|1,0,1]=4 3283 B10R1.4 CCOc1cccoc1=O 7a_100000077404_100000210202 [1,1,0,0,0,0|1,0,1]=4 3284 B10R1.4 CCOc1ccncc1Br 34a_100011996408_100000210202 [1,1,0,0,0,0|1,0,1]=4 3285 B10R1.4 CCOc1ccncc1C 34a_100000694293_100000210202 [1,1,0,0,0,0|1,0,1]=4 3286 B10R1.4 CCOc1ccncc1Cl 34a_100011997054_100000210202 [1,1,0,0,0,0|1,0,1]=4 3287 B10R1.4 CCOc1ccncc1F 34a_200000081243_100000210202 [1,1,0,0,0,0|1,0,1]=4 3288 B10R1.4 CCOc1cnccc1C 34a_100011997053_100000210202 [1,1,0,0,0,0|1,0,1]=4 3289 B10R1.4 CCOc1cnccc1C 7a_100011997053_100000210202 [1,1,0,0,0,0|1,0,1]=4 3290 B10R1.4 CCOc1cnccc1Cl 34a_100011996695_100000210202 [1,1,0,0,0,0|1,0,1]=4 3291 B10R1.4 CCOc1cnccc1I 34a_100000050107_100000210202 [1,1,0,0,0,0|1,0,1]=4 3292 B10R1.4 CCOc1cnccc1N 34a_100000753702_100000210202 [1,1,0,0,0,0|1,0,1]=4 3293 B10R1.4 CCOc1coccc1=O 34a_100000060831_100000210202 [1,1,0,0,0,0|1,0,1]=4 3294 B10R1.4 CCOc1ncccc1Cl 34a_100011290957_100000210202 [1,1,0,0,0,0|1,0,1]=4 3295 B10R1.4 CCOc1ncccc1F 34a_100011219419_100000210202 [1,1,0,0,0,0|1,0,1]=4 3296 B10R1.4 CCOc1ncccc1N 34a_100000746358_100000210202 [1,1,0,0,0,0|1,0,1]=4 3297 B10R1.4 CCOc1ncccc1O 271570a_203496583355_100011465154 [1,1,0,0,0,0|1,0,1]=4 3298 B10R1.4 CCSc1ccccc1Br 62a_100000210202_100000695589 [1,1,0,0,0,0|0,1,1]=4 3299 B10R1.4 CCSc1ccccc1Br 62a_100000695589_100000210202 [1,1,0,0,0,0|0,1,1]=4 3300 B10R1.4 CCSc1ccccc1C 62a_100000210202_100000210755 [1,1,0,0,0,0|0,1,1]=4 3301 B10R1.4 CCSc1ccccc1C 62a_100000210755_100000210202 [1,1,0,0,0,0|0,1,1]=4 3302 B10R1.4 CCSc1ccccc1Cl 62a_100000210202_100000764095 [1,1,0,0,0,0|0,1,1]=4 3303 B10R1.4 CCSc1ccccc1Cl 62a_100000764095_100000210202 [1,1,0,0,0,0|0,1,1]=4 3304 B10R1.4 CCSc1ccccc1F 62a_100000210202_100011215700 [1,1,0,0,0,0|0,1,1]=4 3305 B10R1.4 CCSc1ccccc1F 62a_100011215700_100000210202 [1,1,0,0,0,0|0,1,1]=4 3306 B10R1.4 CCSc1ccccc1N 62a_100000210017_100000210202 [1,1,0,0,0,0|0,1,1]=4 3307 B10R1.4 CCSc1ccccc1N 62a_100000210202_100000210017 [1,1,0,0,0,0|0,1,1]=4 3308 B10R1.4 CCSc1ccccc1O 271570a_203496583355_100000230856 [1,1,0,0,0,0|0,1,1]=4 3309 B10R1.4 CCSc1ccccc1O 62a_100000210202_100000739446 [1,1,0,0,0,0|0,1,1]=4 3310 B10R1.4 CCSc1ccccc1O 62a_100000739446_100000210202 [1,1,0,0,0,0|0,1,1]=4 3311 B10R1.4 CNCc1ccccc1Br 207a_100102657272_100000211189 [1,1,0,0,0,0|1,0,1]=4 3312 B10R1.4 CNCc1ccccc1Br 2230a_100000689332_200000210301 [1,1,0,0,0,0|1,0,1]=4 3313 B10R1.4 CNCc1ccccc1Br 2230a_106832991635_100000184730 [1,1,0,0,0,0|1,0,1]=4 3314 B10R1.4 CNCc1ccccc1Br 26a_100102657272_100000181306 [1,1,0,0,0,0|1,0,1]=4 3315 B10R1.4 CNCc1ccccc1Br 270004a_106832991635_100000211189 [1,1,0,0,0,0|1,0,1]=4 3316 B10R1.4 CNCc1ccccc1Br 34a_100000689332_200000210301 [1,1,0,0,0,0|1,0,1]=4 3317 B10R1.4 CNCc1ccccc1Br 34a_100102657272_100000184730 [1,1,0,0,0,0|1,0,1]=4 3318 B10R1.4 CNCc1ccccc1Br 7a_106832991635_100000184730 [1,1,0,0,0,0|1,0,1]=4 3319 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,1,0,0,0,0|1,0,1]=4 3320 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,1,0,0,0,0|1,0,1]=4 3321 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,1,0,0,0,0|1,0,1]=4 3322 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,1,0,0,0,0|1,0,1]=4 3323 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,1,0,0,0,0|1,0,1]=4 3324 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,1,0,0,0,0|1,0,1]=4 3325 B10R1.4 CNCc1ccccc1Cl 207a_100102657272_100000210073 [1,1,0,0,0,0|1,0,1]=4 3326 B10R1.4 CNCc1ccccc1Cl 2230a_100000174879_200000210301 [1,1,0,0,0,0|1,0,1]=4 3327 B10R1.4 CNCc1ccccc1Cl 2230a_106832991635_100000187162 [1,1,0,0,0,0|1,0,1]=4 3328 B10R1.4 CNCc1ccccc1Cl 26a_100102657272_100000210172 [1,1,0,0,0,0|1,0,1]=4 3329 B10R1.4 CNCc1ccccc1Cl 270004a_106832991635_100000210073 [1,1,0,0,0,0|1,0,1]=4 3330 B10R1.4 CNCc1ccccc1Cl 34a_100000174879_200000210301 [1,1,0,0,0,0|1,0,1]=4 3331 B10R1.4 CNCc1ccccc1Cl 34a_100102657272_100000187162 [1,1,0,0,0,0|1,0,1]=4 3332 B10R1.4 CNCc1ccccc1Cl 7a_106832991635_100000187162 [1,1,0,0,0,0|1,0,1]=4 3333 B10R1.4 CNCc1ccccc1F 207a_100102657272_100000210811 [1,1,0,0,0,0|1,0,1]=4 3334 B10R1.4 CNCc1ccccc1F 2230a_106832991635_100000211605 [1,1,0,0,0,0|1,0,1]=4 3335 B10R1.4 CNCc1ccccc1F 270004a_106832991635_100000210811 [1,1,0,0,0,0|1,0,1]=4 3336 B10R1.4 CNCc1ccccc1F 34a_100000174869_200000210301 [1,1,0,0,0,0|1,0,1]=4 3337 B10R1.4 CNCc1ccccc1F 34a_100102657272_100000211605 [1,1,0,0,0,0|1,0,1]=4 3338 B10R1.4 CNCc1ccccc1F 7a_106832991635_100000211605 [1,1,0,0,0,0|1,0,1]=4 3339 B10R1.4 CNCc1ccccc1I 207a_100102657272_100000010305 [1,1,0,0,0,0|1,0,1]=4 3340 B10R1.4 CNCc1ccccc1I 2230a_106832991635_100011215278 [1,1,0,0,0,0|1,0,1]=4 3341 B10R1.4 CNCc1ccccc1I 270004a_106832991635_100000010305 [1,1,0,0,0,0|1,0,1]=4 3342 B10R1.4 CNCc1ccccc1I 34a_100102657272_100011215278 [1,1,0,0,0,0|1,0,1]=4 3343 B10R1.4 CNCc1ccccc1I 7a_106832991635_100011215278 [1,1,0,0,0,0|1,0,1]=4 3344 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [1,1,0,0,0,0|1,0,1]=4 3345 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [1,1,0,0,0,0|1,0,1]=4 3346 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [1,1,0,0,0,0|1,0,1]=4 3347 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [1,1,0,0,0,0|1,0,1]=4 3348 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [1,1,0,0,0,0|1,0,1]=4 3349 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,1,0,0,0,0|1,0,1]=4 3350 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,1,0,0,0,0|1,0,1]=4 3351 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,1,0,0,0,0|1,0,1]=4 3352 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [1,1,0,0,0,0|1,0,1]=4 3353 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [1,1,0,0,0,0|1,0,1]=4 3354 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [1,1,0,0,0,0|1,0,1]=4 3355 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [1,1,0,0,0,0|1,0,1]=4 3356 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [1,1,0,0,0,0|1,0,1]=4 3357 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [1,1,0,0,0,0|1,0,1]=4 3358 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [1,1,0,0,0,0|1,0,1]=4 3359 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [1,1,0,0,0,0|1,0,1]=4 3360 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [1,1,0,0,0,0|1,0,1]=4 3361 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [1,1,0,0,0,0|1,0,1]=4 3362 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [1,1,0,0,0,0|1,0,1]=4 3363 B10R1.4 CSCc1ccccc1Br 62a_100000184730_200000210301 [1,1,0,0,0,0|1,0,1]=4 3364 B10R1.4 CSCc1ccccc1Br 62a_200000210301_100000184730 [1,1,0,0,0,0|1,0,1]=4 3365 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [1,1,0,0,0,0|1,0,1]=4 3366 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [1,1,0,0,0,0|1,0,1]=4 3367 B10R1.4 CSCc1ccccc1Cl 62a_100000187162_200000210301 [1,1,0,0,0,0|1,0,1]=4 3368 B10R1.4 CSCc1ccccc1Cl 62a_200000210301_100000187162 [1,1,0,0,0,0|1,0,1]=4 3369 B10R1.4 CSCc1ccccc1F 62a_100000211605_200000210301 [1,1,0,0,0,0|1,0,1]=4 3370 B10R1.4 CSCc1ccccc1F 62a_200000210301_100000211605 [1,1,0,0,0,0|1,0,1]=4 3371 B10R1.4 CSCc1ccccc1I 62a_100011216222_200000210301 [1,1,0,0,0,0|1,0,1]=4 3372 B10R1.4 CSCc1ccccc1I 62a_200000210301_100011216222 [1,1,0,0,0,0|1,0,1]=4 3373 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [1,1,0,0,0,0|1,0,1]=4 3374 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,1,0,0,0,0|1,0,1]=4 3375 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,1,0,0,0,0|1,0,1]=4 3376 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,1,0,0,0,0|1,0,1]=4 3377 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [1,1,0,0,0,0|1,0,1]=4 3378 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [1,1,0,0,0,0|1,0,1]=4 3379 B10R1.4 Cc1ccccc1NCF 34a_100015192222_100015361967 [1,1,0,0,0,0|2,0,0]=4 3380 B10R1.4 Cc1ccccc1OCF 34a_100000210338_100015361967 [1,1,0,0,0,0|1,0,0]=3 3381 B10R1.4 Cc1ccccc1OCF 7a_100000210338_100015361967 [1,1,0,0,0,0|1,0,0]=3 3382 B10R1.4 Cc1ccccc1SCF 62a_100000210755_100015361967 [1,1,0,0,0,0|1,1,0]=4 3383 B10R1.4 Cc1ccccc1SCF 62a_100015361967_100000210755 [1,1,0,0,0,0|1,1,0]=4 3384 B10R1.4 Cc1ccncc1OCF 34a_100011997053_100015361967 [1,1,0,0,0,0|2,0,0]=4 3385 B10R1.4 Cc1ccncc1OCF 7a_100011997053_100015361967 [1,1,0,0,0,0|2,0,0]=4 3386 B10R1.4 Cc1cnccc1OCF 34a_100000694293_100015361967 [1,1,0,0,0,0|2,0,0]=4 3387 B10R1.4 Cc1ncccc1OCF 34a_100000745507_100015361967 [1,1,0,0,0,0|2,0,0]=4 3388 B10R1.4 Cc1ncccc1OCF 7a_100000745507_100015361967 [1,1,0,0,0,0|2,0,0]=4 3389 B10R1.4 FCNc1ccccc1Br 34a_100000210017_100015361967 [1,1,0,0,0,0|2,0,0]=4 3390 B10R1.4 FCNc1ccccc1Cl 34a_100000185783_100015361967 [1,1,0,0,0,0|2,0,0]=4 3391 B10R1.4 FCNc1ccccc1F 34a_100000210422_100015361967 [1,1,0,0,0,0|2,0,0]=4 3392 B10R1.4 FCNc1ccccc1I 34a_100000210053_100015361967 [1,1,0,0,0,0|2,0,0]=4 3393 B10R1.4 FCOc1ccccc1Br 34a_100000181306_100015361967 [1,1,0,0,0,0|1,0,0]=3 3394 B10R1.4 FCOc1ccccc1Br 7a_100000181306_100015361967 [1,1,0,0,0,0|1,0,0]=3 3395 B10R1.4 FCOc1ccccc1Cl 34a_100000210172_100015361967 [1,1,0,0,0,0|1,0,0]=3 3396 B10R1.4 FCOc1ccccc1Cl 7a_100000210172_100015361967 [1,1,0,0,0,0|1,0,0]=3 3397 B10R1.4 FCOc1ccccc1F 34a_100000210171_100015361967 [1,1,0,0,0,0|1,0,0]=3 3398 B10R1.4 FCOc1ccccc1F 7a_100000210171_100015361967 [1,1,0,0,0,0|1,0,0]=3 3399 B10R1.4 FCOc1ccccc1I 34a_100000739446_100015361967 [1,1,0,0,0,0|1,0,0]=3 3400 B10R1.4 FCOc1ccccc1I 7a_100000739446_100015361967 [1,1,0,0,0,0|1,0,0]=3 3401 B10R1.4 FCOc1cccnc1Br 34a_100000744436_100015361967 [1,1,0,0,0,0|2,0,0]=4 3402 B10R1.4 FCOc1cccnc1Br 7a_100000744436_100015361967 [1,1,0,0,0,0|2,0,0]=4 3403 B10R1.4 FCOc1cccnc1Cl 34a_100000757616_100015361967 [1,1,0,0,0,0|2,0,0]=4 3404 B10R1.4 FCOc1cccnc1Cl 7a_100000757616_100015361967 [1,1,0,0,0,0|2,0,0]=4 3405 B10R1.4 FCOc1cccnc1F 34a_100000061740_100015361967 [1,1,0,0,0,0|2,0,0]=4 3406 B10R1.4 FCOc1cccnc1F 7a_100000061740_100015361967 [1,1,0,0,0,0|2,0,0]=4 3407 B10R1.4 FCOc1cccnc1I 34a_100000034122_100015361967 [1,1,0,0,0,0|2,0,0]=4 3408 B10R1.4 FCOc1cccnc1I 7a_100000034122_100015361967 [1,1,0,0,0,0|2,0,0]=4 3409 B10R1.4 FCOc1ccncc1Br 34a_100011996408_100015361967 [1,1,0,0,0,0|2,0,0]=4 3410 B10R1.4 FCOc1ccncc1Cl 34a_100011997054_100015361967 [1,1,0,0,0,0|2,0,0]=4 3411 B10R1.4 FCOc1ccncc1F 34a_200000081243_100015361967 [1,1,0,0,0,0|2,0,0]=4 3412 B10R1.4 FCOc1cnccc1Cl 34a_100011996695_100015361967 [1,1,0,0,0,0|2,0,0]=4 3413 B10R1.4 FCOc1cnccc1I 34a_100000050107_100015361967 [1,1,0,0,0,0|2,0,0]=4 3414 B10R1.4 FCOc1ncccc1Cl 34a_100011290957_100015361967 [1,1,0,0,0,0|2,0,0]=4 3415 B10R1.4 FCOc1ncccc1F 34a_100011219419_100015361967 [1,1,0,0,0,0|2,0,0]=4 3416 B10R1.4 FCSc1ccccc1Br 62a_100000695589_100015361967 [1,1,0,0,0,0|1,1,0]=4 3417 B10R1.4 FCSc1ccccc1Br 62a_100015361967_100000695589 [1,1,0,0,0,0|1,1,0]=4 3418 B10R1.4 FCSc1ccccc1Cl 62a_100000764095_100015361967 [1,1,0,0,0,0|1,1,0]=4 3419 B10R1.4 FCSc1ccccc1Cl 62a_100015361967_100000764095 [1,1,0,0,0,0|1,1,0]=4 3420 B10R1.4 FCSc1ccccc1F 62a_100011215700_100015361967 [1,1,0,0,0,0|1,1,0]=4 3421 B10R1.4 FCSc1ccccc1F 62a_100015361967_100011215700 [1,1,0,0,0,0|1,1,0]=4 3422 B10R1.4 N#CCc1ccccc1O 271570a_203496583355_100000033512 [1,1,0,0,0,0|1,0,1]=4 3423 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [1,1,0,0,0,0|1,0,1]=4 3424 B10R1.4 NNCc1ccccc1O 271570a_203496583355_200016993956 [1,1,0,0,0,0|2,0,0]=4 3425 B10R1.4 Nc1ccccc1OCF 34a_100000185747_100015361967 [1,1,0,0,0,0|1,0,0]=3 3426 B10R1.4 Nc1ccccc1OCF 7a_100000185747_100015361967 [1,1,0,0,0,0|1,0,0]=3 3427 B10R1.4 Nc1ccccc1SCF 62a_100000210017_100015361967 [1,1,0,0,0,0|1,1,0]=4 3428 B10R1.4 Nc1ccccc1SCF 62a_100015361967_100000210017 [1,1,0,0,0,0|1,1,0]=4 3429 B10R1.4 Nc1cccnc1OCF 34a_100000746358_100015361967 [1,1,0,0,0,0|2,0,0]=4 3430 B10R1.4 Nc1ccncc1OCF 34a_100000753702_100015361967 [1,1,0,0,0,0|2,0,0]=4 3431 B10R1.4 Nc1ncccc1OCF 34a_100000211975_100015361967 [1,1,0,0,0,0|2,0,0]=4 3432 B10R1.4 Nc1ncccc1OCF 7a_100000211975_100015361967 [1,1,0,0,0,0|2,0,0]=4 3433 B10R1.4 O=c1ccocc1OCF 34a_100000060831_100015361967 [1,1,0,0,0,0|2,0,0]=4 3434 B10R1.4 O=c1occcc1OCF 34a_100000077404_100015361967 [1,1,0,0,0,0|2,0,0]=4 3435 B10R1.4 O=c1occcc1OCF 7a_100000077404_100015361967 [1,1,0,0,0,0|2,0,0]=4 3436 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [1,1,0,0,0,0|1,0,1]=4 3437 B10R1.4 Oc1ccccc1NCF 34a_100000185747_100015361967 [1,1,0,0,0,0|2,0,0]=4 3438 B10R1.4 Oc1ccccc1SCF 62a_100000739446_100015361967 [1,1,0,0,0,0|1,1,0]=4 3439 B10R1.4 Oc1ccccc1SCF 62a_100015361967_100000739446 [1,1,0,0,0,0|1,1,0]=4 3440 B10R1.4 [13CH3]NCc1ccccc1Br 2230a_100000689332_200025704644 [1,1,0,0,0,0|1,0,1]=4 3441 B10R1.4 [13CH3]NCc1ccccc1Br 34a_100000689332_200025704644 [1,1,0,0,0,0|1,0,1]=4 3442 B10R1.4 [13CH3]NCc1ccccc1Cl 2230a_100000174879_200025704644 [1,1,0,0,0,0|1,0,1]=4 3443 B10R1.4 [13CH3]NCc1ccccc1Cl 34a_100000174879_200025704644 [1,1,0,0,0,0|1,0,1]=4 3444 B10R1.4 [13CH3]NCc1ccccc1F 34a_100000174869_200025704644 [1,1,0,0,0,0|1,0,1]=4 3445 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [1,1,0,0,0,0|1,0,1]=4 3446 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [1,1,0,0,0,0|1,0,1]=4 3447 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [1,1,0,0,0,0|1,0,1]=4 3448 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [1,1,0,0,0,0|1,0,1]=4 3449 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [1,1,0,0,0,0|1,0,1]=4 3450 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [1,1,0,0,0,0|1,0,1]=4 3451 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [1,1,0,0,0,0|1,0,1]=4 3452 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [1,1,0,0,0,0|1,0,1]=4 3453 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [1,1,0,0,0,0|1,0,1]=4 3454 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [1,1,0,0,0,0|1,0,1]=4 3455 B10R1.4 [13CH3]SCc1ccccc1Br 62a_100000184730_200025704644 [1,1,0,0,0,0|1,0,1]=4 3456 B10R1.4 [13CH3]SCc1ccccc1Br 62a_200025704644_100000184730 [1,1,0,0,0,0|1,0,1]=4 3457 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_100000187162_200025704644 [1,1,0,0,0,0|1,0,1]=4 3458 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_200025704644_100000187162 [1,1,0,0,0,0|1,0,1]=4 3459 B10R1.4 [13CH3]SCc1ccccc1F 62a_100000211605_200025704644 [1,1,0,0,0,0|1,0,1]=4 3460 B10R1.4 [13CH3]SCc1ccccc1F 62a_200025704644_100000211605 [1,1,0,0,0,0|1,0,1]=4 3461 B10R1.4 [13CH3]SCc1ccccc1I 62a_100011216222_200025704644 [1,1,0,0,0,0|1,0,1]=4 3462 B10R1.4 [13CH3]SCc1ccccc1I 62a_200025704644_100011216222 [1,1,0,0,0,0|1,0,1]=4 3463 B10R1.4 [O-][n+]1ccccc1OCF 7a_100000211761_100015361967 [1,1,0,0,0,0|2,0,0]=4 3464 B10R1.10 C=C=Cc1cccc(c1)Br 271570a_100015277604_100000691529 [1,1,0,0,0,0|0,0,2]=4 3465 B10R1.10 C=C=Cc1cccc(c1)C 271570a_100015277604_100011215228 [1,1,0,0,0,0|0,0,2]=4 3466 B10R1.10 C=C=Cc1cccc(c1)Cl 271570a_100015277604_100000699651 [1,1,0,0,0,0|0,0,2]=4 3467 B10R1.10 C=C=Cc1cccc(c1)F 271570a_100015277604_100000685547 [1,1,0,0,0,0|0,0,2]=4 3468 B10R1.10 C=C=Cc1cccc(c1)N 271570a_100015277604_100000210019 [1,1,0,0,0,0|0,0,2]=4 3469 B10R1.10 C=C=Cc1cccc(c1)O 271570a_100015277604_100000211634 [1,1,0,0,0,0|0,0,2]=4 3470 B10R1.10 C=C=Cc1cccc(c1)[S] 271570a_100015277604_114929384022 [1,1,0,0,0,0|0,0,2]=4 3471 B10R1.10 C=CCc1cccc(c1)O 271570a_203496583355_100009816576 [1,1,0,0,0,0|0,0,0]=2 3472 B10R1.10 CC=Cc1cccc(c1)Br 271570a_100016259895_100000691529 [1,1,0,0,0,0|0,0,2]=4 3473 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [1,1,0,0,0,0|0,0,2]=4 3474 B10R1.10 CC=Cc1cccc(c1)Cl 271570a_100016259895_100000699651 [1,1,0,0,0,0|0,0,2]=4 3475 B10R1.10 CC=Cc1cccc(c1)F 271570a_100016259895_100000685547 [1,1,0,0,0,0|0,0,2]=4 3476 B10R1.10 CC=Cc1cccc(c1)N 271570a_100016259895_100000210019 [1,1,0,0,0,0|0,0,2]=4 3477 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [1,1,0,0,0,0|0,0,2]=4 3478 B10R1.10 CC=Cc1cccc(c1)[S] 271570a_100016259895_114929384022 [1,1,0,0,0,0|0,0,2]=4 3479 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [1,1,0,0,0,0|0,0,2]=4 3480 B10R1.10 CCNc1cccc(c1)Br 34a_100000210019_100000210202 [1,1,0,0,0,0|1,0,1]=4 3481 B10R1.10 CCNc1cccc(c1)C 2230a_100000188690_100000210202 [1,1,0,0,0,0|1,0,1]=4 3482 B10R1.10 CCNc1cccc(c1)C 34a_100000188690_100000210202 [1,1,0,0,0,0|1,0,1]=4 3483 B10R1.10 CCNc1cccc(c1)Cl 34a_100000185859_100000210202 [1,1,0,0,0,0|1,0,1]=4 3484 B10R1.10 CCNc1cccc(c1)F 34a_100000210047_100000210202 [1,1,0,0,0,0|1,0,1]=4 3485 B10R1.10 CCNc1cccc(c1)I 34a_100000211102_100000210202 [1,1,0,0,0,0|1,0,1]=4 3486 B10R1.10 CCNc1cccc(c1)O 271570a_203496583355_100000738899 [1,1,0,0,0,0|1,0,1]=4 3487 B10R1.10 CCNc1cccc(c1)O 34a_100000210217_100000210202 [1,1,0,0,0,0|1,0,1]=4 3488 B10R1.10 CCOc1cc(ccn1)O 271570a_203496583355_100009995528 [1,1,0,0,0,0|1,0,1]=4 3489 B10R1.10 CCOc1cc[nH]c(=O)c1 34a_100000032262_100000210202 [1,1,0,0,0,0|1,0,1]=4 3490 B10R1.10 CCOc1ccc[n+](c1)[O-] 34a_100000039713_100000210202 [1,1,0,0,0,0|1,0,1]=4 3491 B10R1.10 CCOc1ccc[n+](c1)[O-] 7a_100000039713_100000210202 [1,1,0,0,0,0|1,0,1]=4 3492 B10R1.10 CCOc1cccc(=O)[nH]1 34a_100000033347_100000210202 [1,1,0,0,0,0|1,0,1]=4 3493 B10R1.10 CCOc1cccc(c1)Br 34a_100000210342_100000210202 [1,1,0,0,0,0|0,0,1]=3 3494 B10R1.10 CCOc1cccc(c1)Br 7a_100000210342_100000210202 [1,1,0,0,0,0|0,0,1]=3 3495 B10R1.10 CCOc1cccc(c1)C 34a_100000210337_100000210202 [1,1,0,0,0,0|0,0,1]=3 3496 B10R1.10 CCOc1cccc(c1)C 7a_100000210337_100000210202 [1,1,0,0,0,0|0,0,1]=3 3497 B10R1.10 CCOc1cccc(c1)Cl 34a_100000210295_100000210202 [1,1,0,0,0,0|0,0,1]=3 3498 B10R1.10 CCOc1cccc(c1)Cl 7a_100000210295_100000210202 [1,1,0,0,0,0|0,0,1]=3 3499 B10R1.10 CCOc1cccc(c1)F 34a_100000210426_100000210202 [1,1,0,0,0,0|0,0,1]=3 3500 B10R1.10 CCOc1cccc(c1)F 7a_100000210426_100000210202 [1,1,0,0,0,0|0,0,1]=3 3501 B10R1.10 CCOc1cccc(c1)I 34a_100000211634_100000210202 [1,1,0,0,0,0|0,0,1]=3 3502 B10R1.10 CCOc1cccc(c1)I 7a_100000211634_100000210202 [1,1,0,0,0,0|0,0,1]=3 3503 B10R1.10 CCOc1cccc(c1)N 34a_100000210217_100000210202 [1,1,0,0,0,0|0,0,1]=3 3504 B10R1.10 CCOc1cccc(c1)O 271570a_203496583355_100000170002 [1,1,0,0,0,0|0,0,1]=3 3505 B10R1.10 CCOc1cccc(n1)F 34a_100011432558_100000210202 [1,1,0,0,0,0|1,0,1]=4 3506 B10R1.10 CCOc1cccc(n1)O 271570a_203496583355_100000752924 [1,1,0,0,0,0|1,0,1]=4 3507 B10R1.10 CCOc1ccnc(c1)C 34a_100000688365_100000210202 [1,1,0,0,0,0|1,0,1]=4 3508 B10R1.10 CCOc1ccnc(c1)Cl 34a_100000762945_100000210202 [1,1,0,0,0,0|1,0,1]=4 3509 B10R1.10 CCOc1ccnc(c1)F 34a_100000732698_100000210202 [1,1,0,0,0,0|1,0,1]=4 3510 B10R1.10 CCOc1ccnc(c1)N 34a_100011834064_100000210202 [1,1,0,0,0,0|1,0,1]=4 3511 B10R1.10 CCOc1ccnc(c1)O 271570a_203496583355_100011922638 [1,1,0,0,0,0|1,0,1]=4 3512 B10R1.10 CCOc1cncc(c1)Br 34a_100000754920_100000210202 [1,1,0,0,0,0|1,0,1]=4 3513 B10R1.10 CCOc1cncc(c1)Br 7a_100000754920_100000210202 [1,1,0,0,0,0|1,0,1]=4 3514 B10R1.10 CCOc1cncc(c1)C 34a_100011830280_100000210202 [1,1,0,0,0,0|1,0,1]=4 3515 B10R1.10 CCOc1cncc(c1)C 7a_100011830280_100000210202 [1,1,0,0,0,0|1,0,1]=4 3516 B10R1.10 CCOc1cncc(c1)Cl 7a_100000032511_100000210202 [1,1,0,0,0,0|1,0,1]=4 3517 B10R1.10 CCOc1cncc(c1)F 34a_100011830296_100000210202 [1,1,0,0,0,0|1,0,1]=4 3518 B10R1.10 CCOc1cncc(c1)F 7a_100011830296_100000210202 [1,1,0,0,0,0|1,0,1]=4 3519 B10R1.10 CCOc1cncc(c1)N 34a_100011997051_100000210202 [1,1,0,0,0,0|1,0,1]=4 3520 B10R1.10 CCOc1cncc(c1)O 271570a_203496583355_100012029586 [1,1,0,0,0,0|1,0,1]=4 3521 B10R1.10 CCSc1cccc(c1)Br 62a_100000210202_100000691529 [1,1,0,0,0,0|0,1,1]=4 3522 B10R1.10 CCSc1cccc(c1)Br 62a_100000691529_100000210202 [1,1,0,0,0,0|0,1,1]=4 3523 B10R1.10 CCSc1cccc(c1)C 62a_100000210202_100011215228 [1,1,0,0,0,0|0,1,1]=4 3524 B10R1.10 CCSc1cccc(c1)C 62a_100011215228_100000210202 [1,1,0,0,0,0|0,1,1]=4 3525 B10R1.10 CCSc1cccc(c1)Cl 62a_100000210202_100000699651 [1,1,0,0,0,0|0,1,1]=4 3526 B10R1.10 CCSc1cccc(c1)Cl 62a_100000699651_100000210202 [1,1,0,0,0,0|0,1,1]=4 3527 B10R1.10 CCSc1cccc(c1)F 62a_100000210202_100000685547 [1,1,0,0,0,0|0,1,1]=4 3528 B10R1.10 CCSc1cccc(c1)F 62a_100000685547_100000210202 [1,1,0,0,0,0|0,1,1]=4 3529 B10R1.10 CCSc1cccc(c1)N 62a_100000210019_100000210202 [1,1,0,0,0,0|0,1,1]=4 3530 B10R1.10 CCSc1cccc(c1)N 62a_100000210202_100000210019 [1,1,0,0,0,0|0,1,1]=4 3531 B10R1.10 CCSc1cccc(c1)O 271570a_203496583355_100000703699 [1,1,0,0,0,0|0,1,1]=4 3532 B10R1.10 CCSc1cccc(c1)O 62a_100000210202_100000211634 [1,1,0,0,0,0|0,1,1]=4 3533 B10R1.10 CCSc1cccc(c1)[S] 62a_100000210202_114929384022 [1,1,0,0,0,0|0,1,1]=4 3534 B10R1.10 CCSc1cccc(c1)[S] 62a_114929384022_100000210202 [1,1,0,0,0,0|0,1,1]=4 3535 B10R1.10 CNCc1cccc(c1)Br 207a_100102657272_100000210085 [1,1,0,0,0,0|1,0,1]=4 3536 B10R1.10 CNCc1cccc(c1)Br 2230a_100000174977_200000210301 [1,1,0,0,0,0|1,0,1]=4 3537 B10R1.10 CNCc1cccc(c1)Br 2230a_106832991635_100000698116 [1,1,0,0,0,0|1,0,1]=4 3538 B10R1.10 CNCc1cccc(c1)Br 26a_100102657272_100000210342 [1,1,0,0,0,0|1,0,1]=4 3539 B10R1.10 CNCc1cccc(c1)Br 270004a_106832991635_100000210085 [1,1,0,0,0,0|1,0,1]=4 3540 B10R1.10 CNCc1cccc(c1)Br 34a_100000174977_200000210301 [1,1,0,0,0,0|1,0,1]=4 3541 B10R1.10 CNCc1cccc(c1)Br 34a_100102657272_100000698116 [1,1,0,0,0,0|1,0,1]=4 3542 B10R1.10 CNCc1cccc(c1)Br 7a_106832991635_100000211773 [1,1,0,0,0,0|1,0,1]=4 3543 B10R1.10 CNCc1cccc(c1)C 207a_100102657272_100000211157 [1,1,0,0,0,0|1,0,1]=4 3544 B10R1.10 CNCc1cccc(c1)C 2230a_100000185548_200000210301 [1,1,0,0,0,0|1,0,1]=4 3545 B10R1.10 CNCc1cccc(c1)C 2230a_106832991635_100000211840 [1,1,0,0,0,0|1,0,1]=4 3546 B10R1.10 CNCc1cccc(c1)C 270004a_106832991635_100000211157 [1,1,0,0,0,0|1,0,1]=4 3547 B10R1.10 CNCc1cccc(c1)C 34a_100000185548_200000210301 [1,1,0,0,0,0|1,0,1]=4 3548 B10R1.10 CNCc1cccc(c1)C 34a_100102657272_100000211840 [1,1,0,0,0,0|1,0,1]=4 3549 B10R1.10 CNCc1cccc(c1)C 7a_106832991635_100000211840 [1,1,0,0,0,0|1,0,1]=4 3550 B10R1.10 CNCc1cccc(c1)Cl 207a_100102657272_100000210801 [1,1,0,0,0,0|1,0,1]=4 3551 B10R1.10 CNCc1cccc(c1)Cl 2230a_100000174878_200000210301 [1,1,0,0,0,0|1,0,1]=4 3552 B10R1.10 CNCc1cccc(c1)Cl 2230a_106832991635_100000181238 [1,1,0,0,0,0|1,0,1]=4 3553 B10R1.10 CNCc1cccc(c1)Cl 270004a_106832991635_100000210801 [1,1,0,0,0,0|1,0,1]=4 3554 B10R1.10 CNCc1cccc(c1)Cl 34a_100000174878_200000210301 [1,1,0,0,0,0|1,0,1]=4 3555 B10R1.10 CNCc1cccc(c1)Cl 34a_100102657272_100000187163 [1,1,0,0,0,0|1,0,1]=4 3556 B10R1.10 CNCc1cccc(c1)Cl 7a_106832991635_100000187163 [1,1,0,0,0,0|1,0,1]=4 3557 B10R1.10 CNCc1cccc(c1)F 207a_100102657272_100000210812 [1,1,0,0,0,0|1,0,1]=4 3558 B10R1.10 CNCc1cccc(c1)F 2230a_100000174948_200000210301 [1,1,0,0,0,0|1,0,1]=4 3559 B10R1.10 CNCc1cccc(c1)F 2230a_106832991635_100000230114 [1,1,0,0,0,0|1,0,1]=4 3560 B10R1.10 CNCc1cccc(c1)F 270004a_106832991635_100000210812 [1,1,0,0,0,0|1,0,1]=4 3561 B10R1.10 CNCc1cccc(c1)F 34a_100000174948_200000210301 [1,1,0,0,0,0|1,0,1]=4 3562 B10R1.10 CNCc1cccc(c1)F 34a_100102657272_100000187166 [1,1,0,0,0,0|1,0,1]=4 3563 B10R1.10 CNCc1cccc(c1)F 7a_106832991635_100000230114 [1,1,0,0,0,0|1,0,1]=4 3564 B10R1.10 CNCc1cccc(c1)I 207a_100102657272_100000014684 [1,1,0,0,0,0|1,0,1]=4 3565 B10R1.10 CNCc1cccc(c1)I 2230a_100000106179_200000210301 [1,1,0,0,0,0|1,0,1]=4 3566 B10R1.10 CNCc1cccc(c1)I 2230a_106832991635_100011218688 [1,1,0,0,0,0|1,0,1]=4 3567 B10R1.10 CNCc1cccc(c1)I 270004a_106832991635_100000014684 [1,1,0,0,0,0|1,0,1]=4 3568 B10R1.10 CNCc1cccc(c1)I 34a_100000106179_200000210301 [1,1,0,0,0,0|1,0,1]=4 3569 B10R1.10 CNCc1cccc(c1)I 34a_100102657272_100011218688 [1,1,0,0,0,0|1,0,1]=4 3570 B10R1.10 CNCc1cccc(c1)I 7a_106832991635_100011218688 [1,1,0,0,0,0|1,0,1]=4 3571 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [1,1,0,0,0,0|1,0,1]=4 3572 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [1,1,0,0,0,0|1,0,1]=4 3573 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [1,1,0,0,0,0|1,0,1]=4 3574 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [1,1,0,0,0,0|1,0,1]=4 3575 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [1,1,0,0,0,0|1,0,1]=4 3576 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [1,1,0,0,0,0|1,0,1]=4 3577 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [1,1,0,0,0,0|1,0,1]=4 3578 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [1,1,0,0,0,0|1,0,1]=4 3579 B10R1.10 COCc1cccc(c1)Br 34a_100000687537_200000210301 [1,1,0,0,0,0|1,0,1]=4 3580 B10R1.10 COCc1cccc(c1)Br 34a_100138415774_100000698116 [1,1,0,0,0,0|1,0,1]=4 3581 B10R1.10 COCc1cccc(c1)Br 7a_100000687537_200000210301 [1,1,0,0,0,0|1,0,1]=4 3582 B10R1.10 COCc1cccc(c1)C 34a_100011217746_200000210301 [1,1,0,0,0,0|1,0,1]=4 3583 B10R1.10 COCc1cccc(c1)C 34a_100138415774_100000211840 [1,1,0,0,0,0|1,0,1]=4 3584 B10R1.10 COCc1cccc(c1)C 7a_100011217746_200000210301 [1,1,0,0,0,0|1,0,1]=4 3585 B10R1.10 COCc1cccc(c1)Cl 34a_100000241301_200000210301 [1,1,0,0,0,0|1,0,1]=4 3586 B10R1.10 COCc1cccc(c1)Cl 34a_100138415774_100000187163 [1,1,0,0,0,0|1,0,1]=4 3587 B10R1.10 COCc1cccc(c1)Cl 7a_100000241301_200000210301 [1,1,0,0,0,0|1,0,1]=4 3588 B10R1.10 COCc1cccc(c1)F 34a_100000210976_200000210301 [1,1,0,0,0,0|1,0,1]=4 3589 B10R1.10 COCc1cccc(c1)F 34a_100138415774_100000187166 [1,1,0,0,0,0|1,0,1]=4 3590 B10R1.10 COCc1cccc(c1)F 7a_100000210976_200000210301 [1,1,0,0,0,0|1,0,1]=4 3591 B10R1.10 COCc1cccc(c1)I 34a_100011215336_200000210301 [1,1,0,0,0,0|1,0,1]=4 3592 B10R1.10 COCc1cccc(c1)I 34a_100138415774_100011218688 [1,1,0,0,0,0|1,0,1]=4 3593 B10R1.10 COCc1cccc(c1)I 7a_100011215336_200000210301 [1,1,0,0,0,0|1,0,1]=4 3594 B10R1.10 COCc1cccc(c1)N 34a_100000211919_200000210301 [1,1,0,0,0,0|1,0,1]=4 3595 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [1,1,0,0,0,0|1,0,1]=4 3596 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [1,1,0,0,0,0|1,0,1]=4 3597 B10R1.10 CSCc1cccc(c1)Br 62a_100000211773_200000210301 [1,1,0,0,0,0|1,0,1]=4 3598 B10R1.10 CSCc1cccc(c1)Br 62a_200000210301_100000211773 [1,1,0,0,0,0|1,0,1]=4 3599 B10R1.10 CSCc1cccc(c1)C 62a_100000211840_200000210301 [1,1,0,0,0,0|1,0,1]=4 3600 B10R1.10 CSCc1cccc(c1)C 62a_200000210301_100000211840 [1,1,0,0,0,0|1,0,1]=4 3601 B10R1.10 CSCc1cccc(c1)Cl 62a_100000187163_200000210301 [1,1,0,0,0,0|1,0,1]=4 3602 B10R1.10 CSCc1cccc(c1)Cl 62a_200000210301_100000187163 [1,1,0,0,0,0|1,0,1]=4 3603 B10R1.10 CSCc1cccc(c1)F 62a_100000230114_200000210301 [1,1,0,0,0,0|1,0,1]=4 3604 B10R1.10 CSCc1cccc(c1)F 62a_200000210301_100000230114 [1,1,0,0,0,0|1,0,1]=4 3605 B10R1.10 CSCc1cccc(c1)I 62a_100011218688_200000210301 [1,1,0,0,0,0|1,0,1]=4 3606 B10R1.10 CSCc1cccc(c1)I 62a_200000210301_100011218688 [1,1,0,0,0,0|1,0,1]=4 3607 B10R1.10 CSCc1cccc(c1)O 62a_100011660834_200000210301 [1,1,0,0,0,0|1,0,1]=4 3608 B10R1.10 CSCc1cccc(c1)O 62a_200000210301_100011660834 [1,1,0,0,0,0|1,0,1]=4 3609 B10R1.10 Cc1cc(ccn1)OCF 34a_100000688365_100015361967 [1,1,0,0,0,0|2,0,0]=4 3610 B10R1.10 Cc1cccc(c1)CN[13CH3] 2230a_100000185548_200025704644 [1,1,0,0,0,0|1,0,1]=4 3611 B10R1.10 Cc1cccc(c1)CN[13CH3] 34a_100000185548_200025704644 [1,1,0,0,0,0|1,0,1]=4 3612 B10R1.10 Cc1cccc(c1)CO[13CH3] 34a_100011217746_200025704644 [1,1,0,0,0,0|1,0,1]=4 3613 B10R1.10 Cc1cccc(c1)CO[13CH3] 7a_100011217746_200025704644 [1,1,0,0,0,0|1,0,1]=4 3614 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_100000211840_200025704644 [1,1,0,0,0,0|1,0,1]=4 3615 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_200025704644_100000211840 [1,1,0,0,0,0|1,0,1]=4 3616 B10R1.10 Cc1cccc(c1)NCF 34a_100000188690_100015361967 [1,1,0,0,0,0|2,0,0]=4 3617 B10R1.10 Cc1cccc(c1)OCF 34a_100000210337_100015361967 [1,1,0,0,0,0|1,0,0]=3 3618 B10R1.10 Cc1cccc(c1)OCF 7a_100000210337_100015361967 [1,1,0,0,0,0|1,0,0]=3 3619 B10R1.10 Cc1cccc(c1)SCF 62a_100011215228_100015361967 [1,1,0,0,0,0|1,1,0]=4 3620 B10R1.10 Cc1cccc(c1)SCF 62a_100015361967_100011215228 [1,1,0,0,0,0|1,1,0]=4 3621 B10R1.10 Cc1cncc(c1)OCF 34a_100011830280_100015361967 [1,1,0,0,0,0|2,0,0]=4 3622 B10R1.10 Cc1cncc(c1)OCF 7a_100011830280_100015361967 [1,1,0,0,0,0|2,0,0]=4 3623 B10R1.10 FCNc1cccc(c1)Br 34a_100000210019_100015361967 [1,1,0,0,0,0|2,0,0]=4 3624 B10R1.10 FCNc1cccc(c1)Cl 34a_100000185859_100015361967 [1,1,0,0,0,0|2,0,0]=4 3625 B10R1.10 FCNc1cccc(c1)F 34a_100000210047_100015361967 [1,1,0,0,0,0|2,0,0]=4 3626 B10R1.10 FCNc1cccc(c1)I 34a_100000211102_100015361967 [1,1,0,0,0,0|2,0,0]=4 3627 B10R1.10 FCOc1cccc(c1)Br 34a_100000210342_100015361967 [1,1,0,0,0,0|1,0,0]=3 3628 B10R1.10 FCOc1cccc(c1)Br 7a_100000210342_100015361967 [1,1,0,0,0,0|1,0,0]=3 3629 B10R1.10 FCOc1cccc(c1)Cl 34a_100000210295_100015361967 [1,1,0,0,0,0|1,0,0]=3 3630 B10R1.10 FCOc1cccc(c1)Cl 7a_100000210295_100015361967 [1,1,0,0,0,0|1,0,0]=3 3631 B10R1.10 FCOc1cccc(c1)F 34a_100000210426_100015361967 [1,1,0,0,0,0|1,0,0]=3 3632 B10R1.10 FCOc1cccc(c1)F 7a_100000210426_100015361967 [1,1,0,0,0,0|1,0,0]=3 3633 B10R1.10 FCOc1cccc(c1)I 34a_100000211634_100015361967 [1,1,0,0,0,0|1,0,0]=3 3634 B10R1.10 FCOc1cccc(c1)I 7a_100000211634_100015361967 [1,1,0,0,0,0|1,0,0]=3 3635 B10R1.10 FCOc1cccc(n1)F 34a_100011432558_100015361967 [1,1,0,0,0,0|2,0,0]=4 3636 B10R1.10 FCOc1ccnc(c1)Cl 34a_100000762945_100015361967 [1,1,0,0,0,0|2,0,0]=4 3637 B10R1.10 FCOc1ccnc(c1)F 34a_100000732698_100015361967 [1,1,0,0,0,0|2,0,0]=4 3638 B10R1.10 FCOc1cncc(c1)Br 34a_100000754920_100015361967 [1,1,0,0,0,0|2,0,0]=4 3639 B10R1.10 FCOc1cncc(c1)Br 7a_100000754920_100015361967 [1,1,0,0,0,0|2,0,0]=4 3640 B10R1.10 FCOc1cncc(c1)Cl 7a_100000032511_100015361967 [1,1,0,0,0,0|2,0,0]=4 3641 B10R1.10 FCOc1cncc(c1)F 34a_100011830296_100015361967 [1,1,0,0,0,0|2,0,0]=4 3642 B10R1.10 FCOc1cncc(c1)F 7a_100011830296_100015361967 [1,1,0,0,0,0|2,0,0]=4 3643 B10R1.10 FCSc1cccc(c1)Br 62a_100000691529_100015361967 [1,1,0,0,0,0|1,1,0]=4 3644 B10R1.10 FCSc1cccc(c1)Br 62a_100015361967_100000691529 [1,1,0,0,0,0|1,1,0]=4 3645 B10R1.10 FCSc1cccc(c1)Cl 62a_100000699651_100015361967 [1,1,0,0,0,0|1,1,0]=4 3646 B10R1.10 FCSc1cccc(c1)Cl 62a_100015361967_100000699651 [1,1,0,0,0,0|1,1,0]=4 3647 B10R1.10 FCSc1cccc(c1)F 62a_100000685547_100015361967 [1,1,0,0,0,0|1,1,0]=4 3648 B10R1.10 FCSc1cccc(c1)F 62a_100015361967_100000685547 [1,1,0,0,0,0|1,1,0]=4 3649 B10R1.10 FCSc1cccc(c1)[S] 62a_100015361967_114929384022 [1,1,0,0,0,0|1,1,0]=4 3650 B10R1.10 FCSc1cccc(c1)[S] 62a_114929384022_100015361967 [1,1,0,0,0,0|1,1,0]=4 3651 B10R1.10 N#CCc1cccc(c1)O 271570a_203496583355_100000034040 [1,1,0,0,0,0|1,0,1]=4 3652 B10R1.10 NCCc1cccc(c1)O 271570a_203496583355_100011207229 [1,1,0,0,0,0|1,0,1]=4 3653 B10R1.10 NNCc1cccc(c1)O 271570a_203496583355_100000686200 [1,1,0,0,0,0|2,0,0]=4 3654 B10R1.10 Nc1cc(ccn1)OCF 34a_100011834064_100015361967 [1,1,0,0,0,0|2,0,0]=4 3655 B10R1.10 Nc1cccc(c1)OCF 34a_100000210217_100015361967 [1,1,0,0,0,0|1,0,0]=3 3656 B10R1.10 Nc1cccc(c1)SCF 62a_100000210019_100015361967 [1,1,0,0,0,0|1,1,0]=4 3657 B10R1.10 Nc1cccc(c1)SCF 62a_100015361967_100000210019 [1,1,0,0,0,0|1,1,0]=4 3658 B10R1.10 Nc1cncc(c1)OCF 34a_100011997051_100015361967 [1,1,0,0,0,0|2,0,0]=4 3659 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [1,1,0,0,0,0|1,0,0]=3 3660 B10R1.10 O=c1cc(cc[nH]1)OCF 34a_100000032262_100015361967 [1,1,0,0,0,0|2,0,0]=4 3661 B10R1.10 O=c1cccc([nH]1)OCF 34a_100000033347_100015361967 [1,1,0,0,0,0|2,0,0]=4 3662 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [1,1,0,0,0,0|1,0,1]=4 3663 B10R1.10 Oc1cccc(c1)NCF 34a_100000210217_100015361967 [1,1,0,0,0,0|2,0,0]=4 3664 B10R1.10 Oc1cccc(c1)SCF 62a_100015361967_100000211634 [1,1,0,0,0,0|1,1,0]=4 3665 B10R1.10 [13CH3]NCc1cccc(c1)Br 2230a_100000174977_200025704644 [1,1,0,0,0,0|1,0,1]=4 3666 B10R1.10 [13CH3]NCc1cccc(c1)Br 34a_100000174977_200025704644 [1,1,0,0,0,0|1,0,1]=4 3667 B10R1.10 [13CH3]NCc1cccc(c1)Cl 2230a_100000174878_200025704644 [1,1,0,0,0,0|1,0,1]=4 3668 B10R1.10 [13CH3]NCc1cccc(c1)Cl 34a_100000174878_200025704644 [1,1,0,0,0,0|1,0,1]=4 3669 B10R1.10 [13CH3]NCc1cccc(c1)F 2230a_100000174948_200025704644 [1,1,0,0,0,0|1,0,1]=4 3670 B10R1.10 [13CH3]NCc1cccc(c1)F 34a_100000174948_200025704644 [1,1,0,0,0,0|1,0,1]=4 3671 B10R1.10 [13CH3]NCc1cccc(c1)I 2230a_100000106179_200025704644 [1,1,0,0,0,0|1,0,1]=4 3672 B10R1.10 [13CH3]NCc1cccc(c1)I 34a_100000106179_200025704644 [1,1,0,0,0,0|1,0,1]=4 3673 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [1,1,0,0,0,0|1,0,1]=4 3674 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [1,1,0,0,0,0|1,0,1]=4 3675 B10R1.10 [13CH3]OCc1cccc(c1)Br 34a_100000687537_200025704644 [1,1,0,0,0,0|1,0,1]=4 3676 B10R1.10 [13CH3]OCc1cccc(c1)Br 7a_100000687537_200025704644 [1,1,0,0,0,0|1,0,1]=4 3677 B10R1.10 [13CH3]OCc1cccc(c1)Cl 34a_100000241301_200025704644 [1,1,0,0,0,0|1,0,1]=4 3678 B10R1.10 [13CH3]OCc1cccc(c1)Cl 7a_100000241301_200025704644 [1,1,0,0,0,0|1,0,1]=4 3679 B10R1.10 [13CH3]OCc1cccc(c1)F 34a_100000210976_200025704644 [1,1,0,0,0,0|1,0,1]=4 3680 B10R1.10 [13CH3]OCc1cccc(c1)F 7a_100000210976_200025704644 [1,1,0,0,0,0|1,0,1]=4 3681 B10R1.10 [13CH3]OCc1cccc(c1)I 34a_100011215336_200025704644 [1,1,0,0,0,0|1,0,1]=4 3682 B10R1.10 [13CH3]OCc1cccc(c1)I 7a_100011215336_200025704644 [1,1,0,0,0,0|1,0,1]=4 3683 B10R1.10 [13CH3]OCc1cccc(c1)N 34a_100000211919_200025704644 [1,1,0,0,0,0|1,0,1]=4 3684 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_100000211773_200025704644 [1,1,0,0,0,0|1,0,1]=4 3685 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_200025704644_100000211773 [1,1,0,0,0,0|1,0,1]=4 3686 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_100000187163_200025704644 [1,1,0,0,0,0|1,0,1]=4 3687 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_200025704644_100000187163 [1,1,0,0,0,0|1,0,1]=4 3688 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_100000230114_200025704644 [1,1,0,0,0,0|1,0,1]=4 3689 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_200025704644_100000230114 [1,1,0,0,0,0|1,0,1]=4 3690 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_100011218688_200025704644 [1,1,0,0,0,0|1,0,1]=4 3691 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_200025704644_100011218688 [1,1,0,0,0,0|1,0,1]=4 3692 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_100011660834_200025704644 [1,1,0,0,0,0|1,0,1]=4 3693 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_200025704644_100011660834 [1,1,0,0,0,0|1,0,1]=4 3694 B10R1.10 [O-][n+]1cccc(c1)OCF 34a_100000039713_100015361967 [1,1,0,0,0,0|2,0,0]=4 3695 B10R1.10 [O-][n+]1cccc(c1)OCF 7a_100000039713_100015361967 [1,1,0,0,0,0|2,0,0]=4 3696 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,1,0,0,0,0|1,0,1]=4 3697 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,1,0,0,0,0|1,0,1]=4 3698 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,1,0,0,0,0|1,0,1]=4 3699 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [1,1,0,0,0,0|1,0,1]=4 3700 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [1,1,0,0,0,0|1,0,1]=4 3701 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [1,1,0,0,0,0|1,0,1]=4 3702 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [1,1,0,0,0,0|1,0,1]=4 3703 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [1,1,0,0,0,0|1,0,1]=4 3704 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [1,1,0,0,0,0|1,0,1]=4 3705 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [1,1,0,0,0,0|1,0,1]=4 3706 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [1,1,0,0,0,0|1,0,1]=4 3707 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [1,1,0,0,0,0|1,0,1]=4 3708 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [1,1,0,0,0,0|2,0,0]=4 3709 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [1,1,0,0,0,0|2,0,0]=4 3710 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,1,0,0,0,0|1,0,1]=4 3711 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,1,0,0,0,0|1,0,1]=4 3712 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,1,0,0,0,0|1,0,1]=4 3713 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,1,0,0,0,0|1,0,1]=4 3714 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,1,0,0,0,0|1,0,1]=4 3715 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,1,0,0,0,0|1,0,1]=4 3716 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,1,0,0,0,0|1,0,1]=4 3717 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,1,0,0,0,0|1,0,1]=4 3718 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,1,0,0,0,0|1,0,1]=4 3719 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,1,0,0,0,0|1,0,1]=4 3720 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,1,0,0,0,0|1,0,1]=4 3721 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,1,0,0,0,0|1,0,1]=4 3722 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,1,0,0,0,0|1,0,1]=4 3723 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [1,1,0,0,0,0|2,0,0]=4 3724 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,1,0,0,0,0|0,0,2]=4 3725 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [1,1,0,0,0,0|1,0,1]=4 3726 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,1,0,0,0,0|0,0,1]=3 3727 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,1,0,0,0,0|1,0,1]=4 3728 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,1,0,0,0,0|1,0,1]=4 3729 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,1,0,0,0,0|1,0,1]=4 3730 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,1,0,0,0,0|1,0,1]=4 3731 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [1,1,0,0,0,0|1,0,1]=4 3732 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,1,0,0,0,0|1,0,1]=4 3733 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,1,0,0,0,0|1,0,1]=4 3734 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,1,0,0,0,0|1,0,1]=4 3735 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,1,0,0,0,0|1,0,1]=4 3736 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [1,1,0,0,0,0|1,0,1]=4 3737 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [1,1,0,0,0,0|0,0,1]=3 3738 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [1,1,0,0,0,0|0,0,1]=3 3739 B10R1.18 CC(C)Oc1cccnc1 34a_100000210849_100000210206 [1,1,0,0,0,0|1,0,1]=4 3740 B10R1.18 CC(C)Oc1cccnc1 7a_100000210849_100000210206 [1,1,0,0,0,0|1,0,1]=4 3741 B10R1.18 CC(C)Oc1ccncc1 34a_100000212176_100000210206 [1,1,0,0,0,0|1,0,1]=4 3742 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [1,1,0,0,0,0|0,1,1]=4 3743 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [1,1,0,0,0,0|0,1,1]=4 3744 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,1,0,0,0,0|1,0,1]=4 3745 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,1,0,0,0,0|1,0,1]=4 3746 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,1,0,0,0,0|1,0,1]=4 3747 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,1,0,0,0,0|1,0,1]=4 3748 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,1,0,0,0,0|1,0,1]=4 3749 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,1,0,0,0,0|1,0,1]=4 3750 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,1,0,0,0,0|1,0,1]=4 3751 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [1,1,0,0,0,0|1,0,1]=4 3752 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,1,0,0,0,0|1,0,1]=4 3753 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,1,0,0,0,0|1,0,1]=4 3754 B10R1.16 C=CCOc1ccn(n1)C 34a_100012642153_100015514636 [0,1,0,0,1,0|2,0,0]=4 3755 B10R1.16 C=CCOc1cnn(c1)C 34a_100000707646_100015514636 [0,1,0,0,1,0|2,0,0]=4 3756 B10R1.16 C=CCSc1cc(cs1)C 62a_100000210623_100009876951 [0,1,0,0,1,0|1,1,0]=4 3757 B10R1.16 C=CCSc1cc(cs1)C 62a_100009876951_100000210623 [0,1,0,0,1,0|1,1,0]=4 3758 B10R1.16 C=CCSc1ccc(s1)Br 62a_100000210623_100010197418 [0,1,0,0,1,0|1,1,0]=4 3759 B10R1.16 C=CCSc1ccc(s1)Br 62a_100010197418_100000210623 [0,1,0,0,1,0|1,1,0]=4 3760 B10R1.16 C=CCSc1ccc(s1)C 62a_100000031368_100000210623 [0,1,0,0,1,0|1,1,0]=4 3761 B10R1.16 C=CCSc1ccc(s1)C 62a_100000210623_100000031368 [0,1,0,0,1,0|1,1,0]=4 3762 B10R1.16 C=CCSc1csc(c1)C 62a_100000210623_100000759034 [0,1,0,0,1,0|1,1,0]=4 3763 B10R1.16 C=CCSc1csc(c1)C 62a_100000759034_100000210623 [0,1,0,0,1,0|1,1,0]=4 3764 B10R1.21 C/C=C/COc1ccsc1 34a_100000106738_100102629194 [0,1,0,0,1,0|1,0,0]=3 3765 B10R1.21 C/C=C/COc1ccsc1 7a_100000106738_100102629194 [0,1,0,0,1,0|1,0,0]=3 3766 B10R1.21 C/C=C/CSc1ccco1 62a_100009814098_100102629194 [0,1,0,0,1,0|1,1,0]=4 3767 B10R1.21 C/C=C/CSc1ccco1 62a_100102629194_100009814098 [0,1,0,0,1,0|1,1,0]=4 3768 B10R1.21 C/C=C/CSc1cccs1 62a_100011215356_100102629194 [0,1,0,0,1,0|1,1,0]=4 3769 B10R1.21 C/C=C/CSc1cccs1 62a_100102629194_100011215356 [0,1,0,0,1,0|1,1,0]=4 3770 B10R1.21 C/C=C/CSc1ccoc1 62a_100011215275_100102629194 [0,1,0,0,1,0|1,1,0]=4 3771 B10R1.21 C/C=C/CSc1ccoc1 62a_100102629194_100011215275 [0,1,0,0,1,0|1,1,0]=4 3772 B10R1.21 C/C=C/CSc1ccsc1 62a_100000738268_100102629194 [0,1,0,0,1,0|1,1,0]=4 3773 B10R1.21 C/C=C/CSc1ccsc1 62a_100102629194_100000738268 [0,1,0,0,1,0|1,1,0]=4 3774 B10R1.21 C=CCCOc1ccsc1 34a_100000106738_100000754431 [0,1,0,0,1,0|1,0,0]=3 3775 B10R1.21 C=CCCOc1ccsc1 7a_100000106738_100000754431 [0,1,0,0,1,0|1,0,0]=3 3776 B10R1.21 C=CCCSc1ccco1 62a_100000754431_100009814098 [0,1,0,0,1,0|1,1,0]=4 3777 B10R1.21 C=CCCSc1ccco1 62a_100009814098_100000754431 [0,1,0,0,1,0|1,1,0]=4 3778 B10R1.21 C=CCCSc1cccs1 62a_100000754431_100011215356 [0,1,0,0,1,0|1,1,0]=4 3779 B10R1.21 C=CCCSc1cccs1 62a_100011215356_100000754431 [0,1,0,0,1,0|1,1,0]=4 3780 B10R1.21 C=CCCSc1ccoc1 62a_100000754431_100011215275 [0,1,0,0,1,0|1,1,0]=4 3781 B10R1.21 C=CCCSc1ccoc1 62a_100011215275_100000754431 [0,1,0,0,1,0|1,1,0]=4 3782 B10R1.21 C=CCCSc1ccsc1 62a_100000738268_100000754431 [0,1,0,0,1,0|1,1,0]=4 3783 B10R1.21 C=CCCSc1ccsc1 62a_100000754431_100000738268 [0,1,0,0,1,0|1,1,0]=4 3784 B10R1.21 C=CCNCc1ccco1 2230a_100000185738_100000210623 [0,1,0,0,1,0|2,0,0]=4 3785 B10R1.21 C=CCNCc1ccco1 270004a_100020586998_100000186105 [0,1,0,0,1,0|2,0,0]=4 3786 B10R1.21 C=CCNCc1ccco1 34a_100000185738_100015514636 [0,1,0,0,1,0|2,0,0]=4 3787 B10R1.21 C=CCNCc1cccs1 2230a_100000211653_100000210623 [0,1,0,0,1,0|2,0,0]=4 3788 B10R1.21 C=CCNCc1cccs1 270004a_100020586998_100000209959 [0,1,0,0,1,0|2,0,0]=4 3789 B10R1.21 C=CCNCc1ccoc1 2230a_100015206860_100000210623 [0,1,0,0,1,0|2,0,0]=4 3790 B10R1.21 C=CCNCc1ccoc1 270004a_100020586998_100011215517 [0,1,0,0,1,0|2,0,0]=4 3791 B10R1.21 C=CCNCc1ccoc1 34a_100015206860_100015514636 [0,1,0,0,1,0|2,0,0]=4 3792 B10R1.21 C=CCNCc1ccsc1 2230a_100000186416_100000210623 [0,1,0,0,1,0|2,0,0]=4 3793 B10R1.21 C=CCNCc1ccsc1 2230a_100020586998_100011261437 [0,1,0,0,1,0|2,0,0]=4 3794 B10R1.21 C=CCNCc1ccsc1 270004a_100020586998_100000188534 [0,1,0,0,1,0|2,0,0]=4 3795 B10R1.21 C=CCNCc1ccsc1 34a_100000186416_100015514636 [0,1,0,0,1,0|2,0,0]=4 3796 B10R1.21 C=CCOCc1c[nH]cn1 34a_200000210373_100000707719 [0,1,0,0,1,0|2,0,0]=4 3797 B10R1.21 C=CCOCc1ccco1 34a_100000210059_100015514636 [0,1,0,0,1,0|1,0,0]=3 3798 B10R1.21 C=CCOCc1cccs1 34a_100000211240_100015514636 [0,1,0,0,1,0|1,0,0]=3 3799 B10R1.21 C=CCOCc1ccn[nH]1 34a_200000210373_100000728653 [0,1,0,0,1,0|2,0,0]=4 3800 B10R1.21 C=CCOCc1ccno1 34a_100000740478_100015514636 [0,1,0,0,1,0|2,0,0]=4 3801 B10R1.21 C=CCOCc1ccoc1 34a_100011215357_100015514636 [0,1,0,0,1,0|1,0,0]=3 3802 B10R1.21 C=CCOCc1ccon1 34a_200000210373_100000234950 [0,1,0,0,1,0|2,0,0]=4 3803 B10R1.21 C=CCOCc1ccsc1 34a_100011215551_100015514636 [0,1,0,0,1,0|1,0,0]=3 3804 B10R1.21 C=CCOCc1ccsc1 34a_200000210373_100011261437 [0,1,0,0,1,0|1,0,0]=3 3805 B10R1.21 C=CCOCc1cncs1 34a_200000210373_100015185245 [0,1,0,0,1,0|2,0,0]=4 3806 B10R1.21 C=CCOCc1cscn1 34a_200000210373_100000205941 [0,1,0,0,1,0|2,0,0]=4 3807 B10R1.21 C=CCOCc1ncc[nH]1 34a_200000210373_100016991755 [0,1,0,0,1,0|2,0,0]=4 3808 B10R1.21 C=CCOCc1ncco1 34a_100000062594_100015514636 [0,1,0,0,1,0|2,0,0]=4 3809 B10R1.21 C=CCOCc1ncco1 34a_200000210373_103436540062 [0,1,0,0,1,0|2,0,0]=4 3810 B10R1.21 C=CCOCc1nccs1 34a_200000210373_100015184050 [0,1,0,0,1,0|2,0,0]=4 3811 B10R1.21 C=CCOCn1cccn1 34a_100000731028_100015514636 [0,1,0,0,1,0|2,0,0]=4 3812 B10R1.21 C=CCSCc1ccsc1 62a_100000210623_100011233845 [0,1,0,0,1,0|1,1,0]=4 3813 B10R1.21 C=CCSCc1ccsc1 62a_100011261437_100000210623 [0,1,0,0,1,0|1,1,0]=4 3814 B10R1.21 CC=CCOc1ccsc1 34a_100000106738_100000070051 [0,1,0,0,1,0|1,0,0]=3 3815 B10R1.21 CC=CCOc1ccsc1 7a_100000106738_100000070051 [0,1,0,0,1,0|1,0,0]=3 3816 B10R1.21 CC=CCSc1ccco1 62a_100000070051_100009814098 [0,1,0,0,1,0|1,1,0]=4 3817 B10R1.21 CC=CCSc1ccco1 62a_100009814098_100000070051 [0,1,0,0,1,0|1,1,0]=4 3818 B10R1.21 CC=CCSc1cccs1 62a_100000070051_100011215356 [0,1,0,0,1,0|1,1,0]=4 3819 B10R1.21 CC=CCSc1cccs1 62a_100011215356_100000070051 [0,1,0,0,1,0|1,1,0]=4 3820 B10R1.21 CC=CCSc1ccoc1 62a_100000070051_100011215275 [0,1,0,0,1,0|1,1,0]=4 3821 B10R1.21 CC=CCSc1ccoc1 62a_100011215275_100000070051 [0,1,0,0,1,0|1,1,0]=4 3822 B10R1.21 CC=CCSc1ccsc1 62a_100000070051_100000738268 [0,1,0,0,1,0|1,1,0]=4 3823 B10R1.21 CC=CCSc1ccsc1 62a_100000738268_100000070051 [0,1,0,0,1,0|1,1,0]=4 3824 B10R1.21 O=CCOCc1ccco1 34a_100000210059_200009817547 [0,1,0,0,1,0|2,0,0]=4 3825 B10R1.21 O=CCOCc1cccs1 34a_100000211240_200009817547 [0,1,0,0,1,0|2,0,0]=4 3826 B10R1.21 O=CCOCc1ccoc1 34a_100011215357_200009817547 [0,1,0,0,1,0|2,0,0]=4 3827 B10R1.21 O=CCOCc1ccsc1 34a_100011215551_200009817547 [0,1,0,0,1,0|2,0,0]=4 3828 B10R1.27 C=CC(C)Sc1ccco1 62a_100011215867_100009814098 [0,1,0,0,1,0|1,1,0]=4 3829 B10R1.27 C=CC(C)Sc1cccs1 62a_100011215867_100011215356 [0,1,0,0,1,0|1,1,0]=4 3830 B10R1.27 C=CC(C)Sc1ccoc1 62a_100011215867_100011215275 [0,1,0,0,1,0|1,1,0]=4 3831 B10R1.27 C=CC(C)Sc1ccsc1 62a_100011215867_100000738268 [0,1,0,0,1,0|1,1,0]=4 3832 B10R1.29 C=CCOc1ccnn1C 34a_100020632926_100015514636 [0,1,0,0,1,0|2,0,0]=4 3833 B10R1.29 C=CCSc1ccsc1C 62a_100000210623_100000684487 [0,1,0,0,1,0|1,1,0]=4 3834 B10R1.29 C=CCSc1ccsc1C 62a_100000684487_100000210623 [0,1,0,0,1,0|1,1,0]=4 3835 B10R1.29 C=CCSc1cscc1Br 62a_100000210623_100010143727 [0,1,0,0,1,0|1,1,0]=4 3836 B10R1.29 C=CCSc1cscc1Br 62a_100010143727_100000210623 [0,1,0,0,1,0|1,1,0]=4 3837 B10R1.29 C=CCSc1cscc1C 62a_100000210623_100000759966 [0,1,0,0,1,0|1,1,0]=4 3838 B10R1.29 C=CCSc1cscc1C 62a_100000759966_100000210623 [0,1,0,0,1,0|1,1,0]=4 3839 B10R1.29 C=CCSc1sccc1Br 62a_100000210623_100012361411 [0,1,0,0,1,0|1,1,0]=4 3840 B10R1.29 C=CCSc1sccc1Br 62a_100012361411_100000210623 [0,1,0,0,1,0|1,1,0]=4 3841 B10R1.29 C=CCSc1sccc1C 62a_100000210623_100010247149 [0,1,0,0,1,0|1,1,0]=4 3842 B10R1.29 C=CCSc1sccc1C 62a_100010247149_100000210623 [0,1,0,0,1,0|1,1,0]=4 3843 B10R1.66 C=C(C)COc1ccsc1 34a_100000106738_100000748629 [0,1,0,0,1,0|1,0,0]=3 3844 B10R1.66 C=C(C)COc1ccsc1 7a_100000106738_100000748629 [0,1,0,0,1,0|1,0,0]=3 3845 B10R1.66 C=C(C)CSc1ccco1 62a_100000748629_100009814098 [0,1,0,0,1,0|1,1,0]=4 3846 B10R1.66 C=C(C)CSc1ccco1 62a_100009814098_100000211660 [0,1,0,0,1,0|1,1,0]=4 3847 B10R1.66 C=C(C)CSc1cccs1 62a_100000748629_100011215356 [0,1,0,0,1,0|1,1,0]=4 3848 B10R1.66 C=C(C)CSc1cccs1 62a_100011215356_100000211660 [0,1,0,0,1,0|1,1,0]=4 3849 B10R1.66 C=C(C)CSc1ccoc1 62a_100000748629_100011215275 [0,1,0,0,1,0|1,1,0]=4 3850 B10R1.66 C=C(C)CSc1ccoc1 62a_100011215275_100000211660 [0,1,0,0,1,0|1,1,0]=4 3851 B10R1.66 C=C(C)CSc1ccsc1 62a_100000738268_100000211660 [0,1,0,0,1,0|1,1,0]=4 3852 B10R1.66 C=C(C)CSc1ccsc1 62a_100000748629_100000738268 [0,1,0,0,1,0|1,1,0]=4 3853 B10R1.66 C=C(F)COc1ccsc1 34a_100000106738_100009893438 [0,1,0,0,1,0|1,0,0]=3 3854 B10R1.66 C=C(F)COc1ccsc1 7a_100000106738_100000042424 [0,1,0,0,1,0|1,0,0]=3 3855 B10R1.66 C=C(F)CSc1ccco1 62a_100000042424_100009814098 [0,1,0,0,1,0|1,1,0]=4 3856 B10R1.66 C=C(F)CSc1ccco1 62a_100009814098_100000042424 [0,1,0,0,1,0|1,1,0]=4 3857 B10R1.66 C=C(F)CSc1cccs1 62a_100000042424_100011215356 [0,1,0,0,1,0|1,1,0]=4 3858 B10R1.66 C=C(F)CSc1cccs1 62a_100011215356_100000042424 [0,1,0,0,1,0|1,1,0]=4 3859 B10R1.66 C=C(F)CSc1ccoc1 62a_100000042424_100011215275 [0,1,0,0,1,0|1,1,0]=4 3860 B10R1.66 C=C(F)CSc1ccoc1 62a_100011215275_100000042424 [0,1,0,0,1,0|1,1,0]=4 3861 B10R1.66 C=C(F)CSc1ccsc1 62a_100000042424_100000738268 [0,1,0,0,1,0|1,1,0]=4 3862 B10R1.66 C=C(F)CSc1ccsc1 62a_100000738268_100000042424 [0,1,0,0,1,0|1,1,0]=4 3863 B10R1.66 NC(=O)COc1ccsc1 34a_100000106738_100000187820 [0,1,0,0,1,0|2,0,0]=4 3864 B10R1.66 NC(=O)COc1ccsc1 7a_100000106738_100000187820 [0,1,0,0,1,0|2,0,0]=4 3865 B10R1.66 O=C([O-])COc1ccsc1 34a_100000106738_100020667443 [0,1,0,0,1,0|2,0,0]=4 3866 B12R1.18 C#CCOc1cccccc1=O 34a_100000036025_100000184674 [0,1,0,0,0,1|0,0,2]=4 3867 B12R1.18 C#CCOc1cccccc1=O 7a_100000036025_100000038162 [0,1,0,0,0,1|0,0,2]=4 3868 B12R1.18 C=CCOc1cccccc1=O 34a_100000036025_100015514636 [0,1,0,0,0,1|0,0,0]=2 3869 B12R1.18 C=CCOc1cccccc1=O 7a_100000036025_100015514636 [0,1,0,0,0,1|0,0,0]=2 3870 B12R1.18 CCCOc1cccccc1=O 34a_100000036025_100000210303 [0,1,0,0,0,1|0,0,2]=4 3871 B12R1.18 CCCOc1cccccc1=O 7a_100000036025_100000210303 [0,1,0,0,0,1|0,0,2]=4 3872 B12R1.18 CSCOc1cccccc1=O 34a_100000036025_100011218213 [0,1,0,0,0,1|1,0,1]=4 3873 B12R1.18 N#CCOc1cccccc1=O 7a_100000036025_100011215382 [0,1,0,0,0,1|1,0,1]=4 3874 B12R1.18 O=CCOc1cccccc1=O 34a_100000036025_200009817547 [0,1,0,0,0,1|1,0,0]=3 3875 B12R1.18 O=CCOc1cccccc1=O 7a_100000036025_200015260668 [0,1,0,0,0,1|1,0,0]=3 3876 B12R1.18 O=c1cccccc1OCCF 34a_100000036025_100011217306 [0,1,0,0,0,1|1,0,1]=4 3877 B12R1.18 O=c1cccccc1OCCF 7a_100000036025_100011217306 [0,1,0,0,0,1|1,0,1]=4 3878 B12R1.18 O=c1cccccc1OCCO 34a_100000036025_100000211926 [0,1,0,0,0,1|1,0,1]=4 3879 B12R1.18 O=c1cccccc1OCCO 7a_100000036025_100000211926 [0,1,0,0,0,1|1,0,1]=4 3880 B12R1.1 BrCCOCc1ccc(cc1)Br 34a_100000211926_100000189115 [0,2,0,0,0,0|1,0,1]=4 3881 B12R1.1 BrCCOCc1ccc(cc1)I 34a_100000211926_100000189116 [0,2,0,0,0,0|1,0,1]=4 3882 B12R1.1 C#CCCOc1ccc(cc1)Br 34a_100000185759_100000688953 [0,2,0,0,0,0|0,0,2]=4 3883 B12R1.1 C#CCCOc1ccc(cc1)Br 7a_100000185759_100000688953 [0,2,0,0,0,0|0,0,2]=4 3884 B12R1.1 C#CCCOc1ccc(cc1)C 34a_100000210336_100000688953 [0,2,0,0,0,0|0,0,2]=4 3885 B12R1.1 C#CCCOc1ccc(cc1)C 7a_100000210336_100000688953 [0,2,0,0,0,0|0,0,2]=4 3886 B12R1.1 C#CCCOc1ccc(cc1)Cl 34a_100000210216_100000688953 [0,2,0,0,0,0|0,0,2]=4 3887 B12R1.1 C#CCCOc1ccc(cc1)Cl 7a_100000210216_100000688953 [0,2,0,0,0,0|0,0,2]=4 3888 B12R1.1 C#CCCOc1ccc(cc1)F 34a_100000210339_100000688953 [0,2,0,0,0,0|0,0,2]=4 3889 B12R1.1 C#CCCOc1ccc(cc1)I 34a_100000212066_100000688953 [0,2,0,0,0,0|0,0,2]=4 3890 B12R1.1 C#CCCOc1ccc(cc1)I 7a_100000212066_100000688953 [0,2,0,0,0,0|0,0,2]=4 3891 B12R1.1 C#CCCOc1ccc(cc1)N 34a_100000185829_100000688953 [0,2,0,0,0,0|0,0,2]=4 3892 B12R1.1 C#CCOCc1ccc(cc1)Br 34a_100000210247_100000189115 [0,2,0,0,0,0|0,0,2]=4 3893 B12R1.1 C#CCOCc1ccc(cc1)Br 34a_100000695286_100000184674 [0,2,0,0,0,0|0,0,2]=4 3894 B12R1.1 C#CCOCc1ccc(cc1)C 34a_100000210247_100000210814 [0,2,0,0,0,0|0,0,2]=4 3895 B12R1.1 C#CCOCc1ccc(cc1)C 34a_100011215236_100000184674 [0,2,0,0,0,0|0,0,2]=4 3896 B12R1.1 C#CCOCc1ccc(cc1)C 7a_100011215236_100000038162 [0,2,0,0,0,0|0,0,2]=4 3897 B12R1.1 C#CCOCc1ccc(cc1)Cl 34a_100000210247_100000694040 [0,2,0,0,0,0|0,0,2]=4 3898 B12R1.1 C#CCOCc1ccc(cc1)Cl 34a_100000211118_100000184674 [0,2,0,0,0,0|0,0,2]=4 3899 B12R1.1 C#CCOCc1ccc(cc1)Cl 7a_100000211118_100000038162 [0,2,0,0,0,0|0,0,2]=4 3900 B12R1.1 C#CCOCc1ccc(cc1)F 34a_100000210247_100000198546 [0,2,0,0,0,0|0,0,2]=4 3901 B12R1.1 C#CCOCc1ccc(cc1)F 34a_100000210977_100000184674 [0,2,0,0,0,0|0,0,2]=4 3902 B12R1.1 C#CCOCc1ccc(cc1)F 7a_100000210977_100000038162 [0,2,0,0,0,0|0,0,2]=4 3903 B12R1.1 C#CCOCc1ccc(cc1)I 34a_100000210247_100000189116 [0,2,0,0,0,0|0,0,2]=4 3904 B12R1.1 C#CCOCc1ccc(cc1)I 34a_100000690907_100000184674 [0,2,0,0,0,0|0,0,2]=4 3905 B12R1.1 C#CCOCc1ccc(cc1)I 7a_100000690907_100000038162 [0,2,0,0,0,0|0,0,2]=4 3906 B12R1.1 C#CCOCc1ccc(cc1)N 34a_100011215238_100000184674 [0,2,0,0,0,0|0,0,2]=4 3907 B12R1.1 C/C=C/CNc1ccc(cc1)Br 34a_100000210018_100102629194 [0,2,0,0,0,0|1,0,0]=3 3908 B12R1.1 C/C=C/CNc1ccc(cc1)C 34a_100000124888_100102629194 [0,2,0,0,0,0|1,0,0]=3 3909 B12R1.1 C/C=C/CNc1ccc(cc1)Cl 34a_100000210052_100102629194 [0,2,0,0,0,0|1,0,0]=3 3910 B12R1.1 C/C=C/CNc1ccc(cc1)F 34a_100000185862_100102629194 [0,2,0,0,0,0|1,0,0]=3 3911 B12R1.1 C/C=C/CNc1ccc(cc1)I 34a_100000185761_100102629194 [0,2,0,0,0,0|1,0,0]=3 3912 B12R1.1 C/C=C/CNc1ccc(cc1)O 34a_100000185829_100102629194 [0,2,0,0,0,0|1,0,0]=3 3913 B12R1.1 C/C=C/COc1ccc(=O)[nH]c1 34a_100000075641_100102629194 [0,2,0,0,0,0|1,0,0]=3 3914 B12R1.1 C/C=C/COc1ccc(cc1)Br 34a_100000185759_100102629194 [0,2,0,0,0,0|0,0,0]=2 3915 B12R1.1 C/C=C/COc1ccc(cc1)Br 7a_100000185759_100102629194 [0,2,0,0,0,0|0,0,0]=2 3916 B12R1.1 C/C=C/COc1ccc(cc1)C 34a_100000210336_100102629194 [0,2,0,0,0,0|0,0,0]=2 3917 B12R1.1 C/C=C/COc1ccc(cc1)C 7a_100000210336_100102629194 [0,2,0,0,0,0|0,0,0]=2 3918 B12R1.1 C/C=C/COc1ccc(cc1)Cl 34a_100000210216_100102629194 [0,2,0,0,0,0|0,0,0]=2 3919 B12R1.1 C/C=C/COc1ccc(cc1)Cl 7a_100000210216_100102629194 [0,2,0,0,0,0|0,0,0]=2 3920 B12R1.1 C/C=C/COc1ccc(cc1)F 34a_100000210339_100102629194 [0,2,0,0,0,0|0,0,0]=2 3921 B12R1.1 C/C=C/COc1ccc(cc1)I 34a_100000212066_100102629194 [0,2,0,0,0,0|0,0,0]=2 3922 B12R1.1 C/C=C/COc1ccc(cc1)I 7a_100000212066_100102629194 [0,2,0,0,0,0|0,0,0]=2 3923 B12R1.1 C/C=C/COc1ccc(cc1)N 34a_100000185829_100102629194 [0,2,0,0,0,0|0,0,0]=2 3924 B12R1.1 C/C=C/COc1ccc(cn1)C 34a_100000759353_100102629194 [0,2,0,0,0,0|1,0,0]=3 3925 B12R1.1 C/C=C/COc1ccc(cn1)Cl 34a_100011215309_100102629194 [0,2,0,0,0,0|1,0,0]=3 3926 B12R1.1 C/C=C/COc1ccc(cn1)F 34a_100000742473_100102629194 [0,2,0,0,0,0|1,0,0]=3 3927 B12R1.1 C/C=C/COc1ccc(cn1)N 34a_100000729260_100102629194 [0,2,0,0,0,0|1,0,0]=3 3928 B12R1.1 C/C=C/COc1ccc(nc1)Br 34a_100000685995_100102629194 [0,2,0,0,0,0|1,0,0]=3 3929 B12R1.1 C/C=C/COc1ccc(nc1)Br 7a_100000685995_100102629194 [0,2,0,0,0,0|1,0,0]=3 3930 B12R1.1 C/C=C/COc1ccc(nc1)C 34a_100000745506_100102629194 [0,2,0,0,0,0|1,0,0]=3 3931 B12R1.1 C/C=C/COc1ccc(nc1)C 7a_100000745506_100102629194 [0,2,0,0,0,0|1,0,0]=3 3932 B12R1.1 C/C=C/COc1ccc(nc1)Cl 34a_100000744096_100102629194 [0,2,0,0,0,0|1,0,0]=3 3933 B12R1.1 C/C=C/COc1ccc(nc1)Cl 7a_100000744096_100102629194 [0,2,0,0,0,0|1,0,0]=3 3934 B12R1.1 C/C=C/COc1ccc(nc1)F 34a_100000688820_100102629194 [0,2,0,0,0,0|1,0,0]=3 3935 B12R1.1 C/C=C/COc1ccc(nc1)F 7a_100000688820_100102629194 [0,2,0,0,0,0|1,0,0]=3 3936 B12R1.1 C/C=C/COc1ccc(nc1)I 34a_100000687607_100102629194 [0,2,0,0,0,0|1,0,0]=3 3937 B12R1.1 C/C=C/COc1ccc(nc1)I 7a_100000687607_100102629194 [0,2,0,0,0,0|1,0,0]=3 3938 B12R1.1 C/C=C/COc1ccc(nc1)N 34a_100015188713_100102629194 [0,2,0,0,0,0|1,0,0]=3 3939 B12R1.1 C/C=C/COc1ccc(nc1)N 7a_100015188713_100102629194 [0,2,0,0,0,0|1,0,0]=3 3940 B12R1.1 C/C=C/COc1cnc(cn1)Br 34a_100011934580_100102629194 [0,2,0,0,0,0|2,0,0]=4 3941 B12R1.1 C/C=C/COc1cnc(cn1)Cl 34a_100015839800_100102629194 [0,2,0,0,0,0|2,0,0]=4 3942 B12R1.1 C/C=C/COc1cnc(nc1)Br 34a_100000730009_100102629194 [0,2,0,0,0,0|2,0,0]=4 3943 B12R1.1 C/C=C/COc1cnc(nc1)Br 7a_100000730009_100102629194 [0,2,0,0,0,0|2,0,0]=4 3944 B12R1.1 C/C=C/COc1cnc(nc1)C 34a_100000062939_100102629194 [0,2,0,0,0,0|2,0,0]=4 3945 B12R1.1 C/C=C/COc1cnc(nc1)C 7a_100000062939_100102629194 [0,2,0,0,0,0|2,0,0]=4 3946 B12R1.1 C/C=C/COc1cnc(nc1)Cl 34a_100000092845_100102629194 [0,2,0,0,0,0|2,0,0]=4 3947 B12R1.1 C/C=C/COc1cnc(nc1)Cl 7a_100000092845_100102629194 [0,2,0,0,0,0|2,0,0]=4 3948 B12R1.1 C/C=C/COc1cnc(nc1)F 34a_200009874573_100102629194 [0,2,0,0,0,0|2,0,0]=4 3949 B12R1.1 C/C=C/COc1cnc(nc1)F 7a_200009874573_100102629194 [0,2,0,0,0,0|2,0,0]=4 3950 B12R1.1 C/C=C/COc1cnc(nc1)N 34a_100000087137_100102629194 [0,2,0,0,0,0|2,0,0]=4 3951 B12R1.1 C/C=C/COc1cnc(nc1)N 7a_100000087137_100102629194 [0,2,0,0,0,0|2,0,0]=4 3952 B12R1.1 C/C=C/COc1ncc(cn1)F 34a_100011934040_100102629194 [0,2,0,0,0,0|2,0,0]=4 3953 B12R1.1 C/C=C/CSc1cc[n+](cc1)[O-] 62a_100102629194_100000039755 [0,2,0,0,0,0|1,1,0]=4 3954 B12R1.1 C/C=C/CSc1ccc(=O)[nH]c1 62a_100000212171_100102629194 [0,2,0,0,0,0|1,1,0]=4 3955 B12R1.1 C/C=C/CSc1ccc(=O)[nH]c1 62a_100102629194_100000212171 [0,2,0,0,0,0|1,1,0]=4 3956 B12R1.1 C/C=C/CSc1ccc(cc1)Br 62a_100000752885_100102629194 [0,2,0,0,0,0|0,1,0]=3 3957 B12R1.1 C/C=C/CSc1ccc(cc1)Br 62a_100102629194_100000752885 [0,2,0,0,0,0|0,1,0]=3 3958 B12R1.1 C/C=C/CSc1ccc(cc1)C 62a_100000186775_100102629194 [0,2,0,0,0,0|0,1,0]=3 3959 B12R1.1 C/C=C/CSc1ccc(cc1)C 62a_100102629194_100000186775 [0,2,0,0,0,0|0,1,0]=3 3960 B12R1.1 C/C=C/CSc1ccc(cc1)Cl 62a_100000755918_100102629194 [0,2,0,0,0,0|0,1,0]=3 3961 B12R1.1 C/C=C/CSc1ccc(cc1)Cl 62a_100102629194_100000755918 [0,2,0,0,0,0|0,1,0]=3 3962 B12R1.1 C/C=C/CSc1ccc(cc1)F 62a_100000211213_100102629194 [0,2,0,0,0,0|0,1,0]=3 3963 B12R1.1 C/C=C/CSc1ccc(cc1)F 62a_100102629194_100000211213 [0,2,0,0,0,0|0,1,0]=3 3964 B12R1.1 C/C=C/CSc1ccc(cc1)N 62a_100000185761_100102629194 [0,2,0,0,0,0|0,1,0]=3 3965 B12R1.1 C/C=C/CSc1ccc(cc1)N 62a_100102629194_100000185761 [0,2,0,0,0,0|0,1,0]=3 3966 B12R1.1 C/C=C/CSc1ccc(cc1)O 62a_100102629194_100000185759 [0,2,0,0,0,0|0,1,0]=3 3967 B12R1.1 C/C=C/CSc1ccc(cn1)Br 62a_100000686858_100102629194 [0,2,0,0,0,0|1,1,0]=4 3968 B12R1.1 C/C=C/CSc1ccc(cn1)Br 62a_100102629194_100000686858 [0,2,0,0,0,0|1,1,0]=4 3969 B12R1.1 C/C=C/CSc1ccc(cn1)C 62a_100011192072_100102629194 [0,2,0,0,0,0|1,1,0]=4 3970 B12R1.1 C/C=C/CSc1ccc(cn1)C 62a_100102629194_100000754016 [0,2,0,0,0,0|1,1,0]=4 3971 B12R1.1 C/C=C/CSc1ccc(cn1)Cl 62a_100011356976_100102629194 [0,2,0,0,0,0|1,1,0]=4 3972 B12R1.1 C/C=C/CSc1ccc(cn1)Cl 62a_100102629194_100011356976 [0,2,0,0,0,0|1,1,0]=4 3973 B12R1.1 C/C=C/CSc1ccc(cn1)F 62a_100000744514_100102629194 [0,2,0,0,0,0|1,1,0]=4 3974 B12R1.1 C/C=C/CSc1ccc(cn1)F 62a_100102629194_100000744514 [0,2,0,0,0,0|1,1,0]=4 3975 B12R1.1 C/C=C/CSc1ccc(cn1)N 62a_100000737798_100102629194 [0,2,0,0,0,0|1,1,0]=4 3976 B12R1.1 C/C=C/CSc1ccc(cn1)N 62a_100102629194_100000737798 [0,2,0,0,0,0|1,1,0]=4 3977 B12R1.1 C/C=C/CSc1ccc(cn1)O 62a_100000685995_100102629194 [0,2,0,0,0,0|1,1,0]=4 3978 B12R1.1 C/C=C/CSc1ccc(cn1)O 62a_100102629194_100000744096 [0,2,0,0,0,0|1,1,0]=4 3979 B12R1.1 C/C=C/CSc1ccc(nc1)Br 62a_100009814638_100102629194 [0,2,0,0,0,0|1,1,0]=4 3980 B12R1.1 C/C=C/CSc1ccc(nc1)Br 62a_100102629194_100009814638 [0,2,0,0,0,0|1,1,0]=4 3981 B12R1.1 C/C=C/CSc1ccc(nc1)C 62a_100000751577_100102629194 [0,2,0,0,0,0|1,1,0]=4 3982 B12R1.1 C/C=C/CSc1ccc(nc1)C 62a_100102629194_100000751577 [0,2,0,0,0,0|1,1,0]=4 3983 B12R1.1 C/C=C/CSc1ccc(nc1)Cl 62a_100000034144_100102629194 [0,2,0,0,0,0|1,1,0]=4 3984 B12R1.1 C/C=C/CSc1ccc(nc1)Cl 62a_100102629194_100000034144 [0,2,0,0,0,0|1,1,0]=4 3985 B12R1.1 C/C=C/CSc1ccc(nc1)F 62a_100000042367_100102629194 [0,2,0,0,0,0|1,1,0]=4 3986 B12R1.1 C/C=C/CSc1ccc(nc1)F 62a_100102629194_100000042367 [0,2,0,0,0,0|1,1,0]=4 3987 B12R1.1 C/C=C/CSc1ccc(nc1)N 62a_100000187370_100102629194 [0,2,0,0,0,0|1,1,0]=4 3988 B12R1.1 C/C=C/CSc1ccc(nc1)N 62a_100102629194_100000187370 [0,2,0,0,0,0|1,1,0]=4 3989 B12R1.1 C=CCCNc1ccc(cc1)Br 2230a_100000210018_100000754431 [0,2,0,0,0,0|1,0,0]=3 3990 B12R1.1 C=CCCNc1ccc(cc1)Br 34a_100000210018_100000754431 [0,2,0,0,0,0|1,0,0]=3 3991 B12R1.1 C=CCCNc1ccc(cc1)C 34a_100000124888_100000754431 [0,2,0,0,0,0|1,0,0]=3 3992 B12R1.1 C=CCCNc1ccc(cc1)Cl 2230a_100000210052_100000754431 [0,2,0,0,0,0|1,0,0]=3 3993 B12R1.1 C=CCCNc1ccc(cc1)Cl 34a_100000210052_100000754431 [0,2,0,0,0,0|1,0,0]=3 3994 B12R1.1 C=CCCNc1ccc(cc1)F 34a_100000185862_100000754431 [0,2,0,0,0,0|1,0,0]=3 3995 B12R1.1 C=CCCNc1ccc(cc1)I 34a_100000185761_100000754431 [0,2,0,0,0,0|1,0,0]=3 3996 B12R1.1 C=CCCNc1ccc(cc1)O 34a_100000185829_100000754431 [0,2,0,0,0,0|1,0,0]=3 3997 B12R1.1 C=CCCNc1ccc(cn1)Br 27a_100015191253_100000686858 [0,2,0,0,0,0|2,0,0]=4 3998 B12R1.1 C=CCCOc1ccc(=O)[nH]c1 34a_100000075641_100000754431 [0,2,0,0,0,0|1,0,0]=3 3999 B12R1.1 C=CCCOc1ccc(cc1)Br 34a_100000185759_100000754431 [0,2,0,0,0,0|0,0,0]=2 4000 B12R1.1 C=CCCOc1ccc(cc1)Br 7a_100000185759_100000754431 [0,2,0,0,0,0|0,0,0]=2 4001 B12R1.1 C=CCCOc1ccc(cc1)C 34a_100000210336_100000754431 [0,2,0,0,0,0|0,0,0]=2 4002 B12R1.1 C=CCCOc1ccc(cc1)C 7a_100000210336_100000754431 [0,2,0,0,0,0|0,0,0]=2 4003 B12R1.1 C=CCCOc1ccc(cc1)Cl 34a_100000210216_100000754431 [0,2,0,0,0,0|0,0,0]=2 4004 B12R1.1 C=CCCOc1ccc(cc1)Cl 7a_100000210216_100000754431 [0,2,0,0,0,0|0,0,0]=2 4005 B12R1.1 C=CCCOc1ccc(cc1)F 34a_100000210339_100000754431 [0,2,0,0,0,0|0,0,0]=2 4006 B12R1.1 C=CCCOc1ccc(cc1)I 34a_100000212066_100000754431 [0,2,0,0,0,0|0,0,0]=2 4007 B12R1.1 C=CCCOc1ccc(cc1)I 7a_100000212066_100000754431 [0,2,0,0,0,0|0,0,0]=2 4008 B12R1.1 C=CCCOc1ccc(cc1)N 34a_100000185829_100000754431 [0,2,0,0,0,0|0,0,0]=2 4009 B12R1.1 C=CCCOc1ccc(cc1)O 271570a_203496583355_100012049633 [0,2,0,0,0,0|0,0,0]=2 4010 B12R1.1 C=CCCOc1ccc(cn1)C 34a_100000759353_100000754431 [0,2,0,0,0,0|1,0,0]=3 4011 B12R1.1 C=CCCOc1ccc(cn1)Cl 34a_100011215309_100000754431 [0,2,0,0,0,0|1,0,0]=3 4012 B12R1.1 C=CCCOc1ccc(cn1)F 34a_100000742473_100000754431 [0,2,0,0,0,0|1,0,0]=3 4013 B12R1.1 C=CCCOc1ccc(cn1)N 34a_100000729260_100000754431 [0,2,0,0,0,0|1,0,0]=3 4014 B12R1.1 C=CCCOc1ccc(nc1)Br 34a_100000685995_100000754431 [0,2,0,0,0,0|1,0,0]=3 4015 B12R1.1 C=CCCOc1ccc(nc1)Br 7a_100000685995_100000754431 [0,2,0,0,0,0|1,0,0]=3 4016 B12R1.1 C=CCCOc1ccc(nc1)C 34a_100000745506_100000754431 [0,2,0,0,0,0|1,0,0]=3 4017 B12R1.1 C=CCCOc1ccc(nc1)C 7a_100000745506_100000754431 [0,2,0,0,0,0|1,0,0]=3 4018 B12R1.1 C=CCCOc1ccc(nc1)Cl 34a_100000744096_100000754431 [0,2,0,0,0,0|1,0,0]=3 4019 B12R1.1 C=CCCOc1ccc(nc1)Cl 7a_100000744096_100000754431 [0,2,0,0,0,0|1,0,0]=3 4020 B12R1.1 C=CCCOc1ccc(nc1)F 34a_100000688820_100000754431 [0,2,0,0,0,0|1,0,0]=3 4021 B12R1.1 C=CCCOc1ccc(nc1)F 7a_100000688820_100000754431 [0,2,0,0,0,0|1,0,0]=3 4022 B12R1.1 C=CCCOc1ccc(nc1)I 34a_100000687607_100000754431 [0,2,0,0,0,0|1,0,0]=3 4023 B12R1.1 C=CCCOc1ccc(nc1)I 7a_100000687607_100000754431 [0,2,0,0,0,0|1,0,0]=3 4024 B12R1.1 C=CCCOc1ccc(nc1)N 34a_100015188713_100000754431 [0,2,0,0,0,0|1,0,0]=3 4025 B12R1.1 C=CCCOc1ccc(nc1)N 7a_100015188713_100000754431 [0,2,0,0,0,0|1,0,0]=3 4026 B12R1.1 C=CCCOc1cnc(cn1)Br 34a_100011934580_100000754431 [0,2,0,0,0,0|2,0,0]=4 4027 B12R1.1 C=CCCOc1cnc(cn1)Cl 34a_100015839800_100000754431 [0,2,0,0,0,0|2,0,0]=4 4028 B12R1.1 C=CCCOc1cnc(nc1)Br 34a_100000730009_100000754431 [0,2,0,0,0,0|2,0,0]=4 4029 B12R1.1 C=CCCOc1cnc(nc1)Br 7a_100000730009_100000754431 [0,2,0,0,0,0|2,0,0]=4 4030 B12R1.1 C=CCCOc1cnc(nc1)C 34a_100000062939_100000754431 [0,2,0,0,0,0|2,0,0]=4 4031 B12R1.1 C=CCCOc1cnc(nc1)C 7a_100000062939_100000754431 [0,2,0,0,0,0|2,0,0]=4 4032 B12R1.1 C=CCCOc1cnc(nc1)Cl 34a_100000092845_100000754431 [0,2,0,0,0,0|2,0,0]=4 4033 B12R1.1 C=CCCOc1cnc(nc1)Cl 7a_100000092845_100000754431 [0,2,0,0,0,0|2,0,0]=4 4034 B12R1.1 C=CCCOc1cnc(nc1)F 34a_200009874573_100000754431 [0,2,0,0,0,0|2,0,0]=4 4035 B12R1.1 C=CCCOc1cnc(nc1)F 7a_200009874573_100000754431 [0,2,0,0,0,0|2,0,0]=4 4036 B12R1.1 C=CCCOc1cnc(nc1)N 34a_100000087137_100000754431 [0,2,0,0,0,0|2,0,0]=4 4037 B12R1.1 C=CCCOc1cnc(nc1)N 7a_100000087137_100000754431 [0,2,0,0,0,0|2,0,0]=4 4038 B12R1.1 C=CCCOc1ncc(cn1)F 34a_100011934040_100000754431 [0,2,0,0,0,0|2,0,0]=4 4039 B12R1.1 C=CCCSc1cc[n+](cc1)[O-] 62a_100000754431_100000039755 [0,2,0,0,0,0|1,1,0]=4 4040 B12R1.1 C=CCCSc1ccc(=O)[nH]c1 62a_100000212171_100000754431 [0,2,0,0,0,0|1,1,0]=4 4041 B12R1.1 C=CCCSc1ccc(=O)[nH]c1 62a_100000754431_100000212171 [0,2,0,0,0,0|1,1,0]=4 4042 B12R1.1 C=CCCSc1ccc(cc1)Br 62a_100000752885_100000754431 [0,2,0,0,0,0|0,1,0]=3 4043 B12R1.1 C=CCCSc1ccc(cc1)Br 62a_100000754431_100000752885 [0,2,0,0,0,0|0,1,0]=3 4044 B12R1.1 C=CCCSc1ccc(cc1)C 62a_100000186775_100000754431 [0,2,0,0,0,0|0,1,0]=3 4045 B12R1.1 C=CCCSc1ccc(cc1)C 62a_100000754431_100000186775 [0,2,0,0,0,0|0,1,0]=3 4046 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000754431_100000755918 [0,2,0,0,0,0|0,1,0]=3 4047 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000755918_100000754431 [0,2,0,0,0,0|0,1,0]=3 4048 B12R1.1 C=CCCSc1ccc(cc1)F 62a_100000211213_100000754431 [0,2,0,0,0,0|0,1,0]=3 4049 B12R1.1 C=CCCSc1ccc(cc1)F 62a_100000754431_100000211213 [0,2,0,0,0,0|0,1,0]=3 4050 B12R1.1 C=CCCSc1ccc(cc1)N 62a_100000185761_100000754431 [0,2,0,0,0,0|0,1,0]=3 4051 B12R1.1 C=CCCSc1ccc(cc1)N 62a_100000754431_100000185761 [0,2,0,0,0,0|0,1,0]=3 4052 B12R1.1 C=CCCSc1ccc(cc1)O 62a_100000754431_100000185759 [0,2,0,0,0,0|0,1,0]=3 4053 B12R1.1 C=CCCSc1ccc(cn1)Br 62a_100000686858_100000754431 [0,2,0,0,0,0|1,1,0]=4 4054 B12R1.1 C=CCCSc1ccc(cn1)Br 62a_100000754431_100000686858 [0,2,0,0,0,0|1,1,0]=4 4055 B12R1.1 C=CCCSc1ccc(cn1)C 62a_100000754431_100000754016 [0,2,0,0,0,0|1,1,0]=4 4056 B12R1.1 C=CCCSc1ccc(cn1)C 62a_100011192072_100000754431 [0,2,0,0,0,0|1,1,0]=4 4057 B12R1.1 C=CCCSc1ccc(cn1)Cl 62a_100000754431_100011356976 [0,2,0,0,0,0|1,1,0]=4 4058 B12R1.1 C=CCCSc1ccc(cn1)Cl 62a_100011356976_100000754431 [0,2,0,0,0,0|1,1,0]=4 4059 B12R1.1 C=CCCSc1ccc(cn1)F 62a_100000744514_100000754431 [0,2,0,0,0,0|1,1,0]=4 4060 B12R1.1 C=CCCSc1ccc(cn1)F 62a_100000754431_100000744514 [0,2,0,0,0,0|1,1,0]=4 4061 B12R1.1 C=CCCSc1ccc(cn1)N 62a_100000737798_100000754431 [0,2,0,0,0,0|1,1,0]=4 4062 B12R1.1 C=CCCSc1ccc(cn1)N 62a_100000754431_100000737798 [0,2,0,0,0,0|1,1,0]=4 4063 B12R1.1 C=CCCSc1ccc(cn1)O 62a_100000685995_100000754431 [0,2,0,0,0,0|1,1,0]=4 4064 B12R1.1 C=CCCSc1ccc(cn1)O 62a_100000754431_100000744096 [0,2,0,0,0,0|1,1,0]=4 4065 B12R1.1 C=CCCSc1ccc(nc1)Br 62a_100000754431_100009814638 [0,2,0,0,0,0|1,1,0]=4 4066 B12R1.1 C=CCCSc1ccc(nc1)Br 62a_100009814638_100000754431 [0,2,0,0,0,0|1,1,0]=4 4067 B12R1.1 C=CCCSc1ccc(nc1)C 62a_100000751577_100000754431 [0,2,0,0,0,0|1,1,0]=4 4068 B12R1.1 C=CCCSc1ccc(nc1)C 62a_100000754431_100000751577 [0,2,0,0,0,0|1,1,0]=4 4069 B12R1.1 C=CCCSc1ccc(nc1)Cl 62a_100000034144_100000754431 [0,2,0,0,0,0|1,1,0]=4 4070 B12R1.1 C=CCCSc1ccc(nc1)Cl 62a_100000754431_100000034144 [0,2,0,0,0,0|1,1,0]=4 4071 B12R1.1 C=CCCSc1ccc(nc1)F 62a_100000042367_100000754431 [0,2,0,0,0,0|1,1,0]=4 4072 B12R1.1 C=CCCSc1ccc(nc1)F 62a_100000754431_100000042367 [0,2,0,0,0,0|1,1,0]=4 4073 B12R1.1 C=CCCSc1ccc(nc1)N 62a_100000187370_100000754431 [0,2,0,0,0,0|1,1,0]=4 4074 B12R1.1 C=CCCSc1ccc(nc1)N 62a_100000754431_100000187370 [0,2,0,0,0,0|1,1,0]=4 4075 B12R1.1 C=CCNCc1ccc(cc1)Br 2230a_100000174875_100000210623 [0,2,0,0,0,0|1,0,0]=3 4076 B12R1.1 C=CCNCc1ccc(cc1)Br 2230a_100020586998_100011217064 [0,2,0,0,0,0|1,0,0]=3 4077 B12R1.1 C=CCNCc1ccc(cc1)Br 270004a_100020586998_100000186029 [0,2,0,0,0,0|1,0,0]=3 4078 B12R1.1 C=CCNCc1ccc(cc1)Br 34a_100000174875_100015514636 [0,2,0,0,0,0|1,0,0]=3 4079 B12R1.1 C=CCNCc1ccc(cc1)C 2230a_100000174908_100000210623 [0,2,0,0,0,0|1,0,0]=3 4080 B12R1.1 C=CCNCc1ccc(cc1)C 2230a_100020586998_100000210814 [0,2,0,0,0,0|1,0,0]=3 4081 B12R1.1 C=CCNCc1ccc(cc1)C 270004a_100020586998_100000211033 [0,2,0,0,0,0|1,0,0]=3 4082 B12R1.1 C=CCNCc1ccc(cc1)C 34a_100000174908_100015514636 [0,2,0,0,0,0|1,0,0]=3 4083 B12R1.1 C=CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210623 [0,2,0,0,0,0|1,0,0]=3 4084 B12R1.1 C=CCNCc1ccc(cc1)Cl 2230a_100020586998_100000694040 [0,2,0,0,0,0|1,0,0]=3 4085 B12R1.1 C=CCNCc1ccc(cc1)Cl 270004a_100020586998_100000189385 [0,2,0,0,0,0|1,0,0]=3 4086 B12R1.1 C=CCNCc1ccc(cc1)Cl 34a_100000174871_100015514636 [0,2,0,0,0,0|1,0,0]=3 4087 B12R1.1 C=CCNCc1ccc(cc1)F 2230a_100000174882_100000210623 [0,2,0,0,0,0|1,0,0]=3 4088 B12R1.1 C=CCNCc1ccc(cc1)F 2230a_100020586998_100000198546 [0,2,0,0,0,0|1,0,0]=3 4089 B12R1.1 C=CCNCc1ccc(cc1)F 270004a_100020586998_100000210084 [0,2,0,0,0,0|1,0,0]=3 4090 B12R1.1 C=CCNCc1ccc(cc1)F 34a_100000174882_100015514636 [0,2,0,0,0,0|1,0,0]=3 4091 B12R1.1 C=CCNCc1ccc(cc1)I 2230a_100016989417_100000210623 [0,2,0,0,0,0|1,0,0]=3 4092 B12R1.1 C=CCNCc1ccc(cc1)I 2230a_100020586998_100000189116 [0,2,0,0,0,0|1,0,0]=3 4093 B12R1.1 C=CCNCc1ccc(cc1)I 34a_100016989417_100015514636 [0,2,0,0,0,0|1,0,0]=3 4094 B12R1.1 C=CCNCc1ccc(cc1)O 34a_100000185549_100015514636 [0,2,0,0,0,0|1,0,0]=3 4095 B12R1.1 C=CCNCc1ccc(cn1)Br 2230a_100020586998_100000702658 [0,2,0,0,0,0|2,0,0]=4 4096 B12R1.1 C=CCNCc1ccc(cn1)Br 270004a_100020586998_100000754260 [0,2,0,0,0,0|2,0,0]=4 4097 B12R1.1 C=CCNCc1ccc(cn1)Br 34a_100015188789_100015514636 [0,2,0,0,0,0|2,0,0]=4 4098 B12R1.1 C=CCNCc1ccc(cn1)C 2230a_100020586998_100000691093 [0,2,0,0,0,0|2,0,0]=4 4099 B12R1.1 C=CCNCc1ccc(cn1)C 270004a_100020586998_100000050478 [0,2,0,0,0,0|2,0,0]=4 4100 B12R1.1 C=CCNCc1ccc(cn1)C 34a_100015187455_100015514636 [0,2,0,0,0,0|2,0,0]=4 4101 B12R1.1 C=CCNCc1ccc(cn1)Cl 2230a_100020586998_100012066911 [0,2,0,0,0,0|2,0,0]=4 4102 B12R1.1 C=CCNCc1ccc(cn1)Cl 270004a_100020586998_100011361569 [0,2,0,0,0,0|2,0,0]=4 4103 B12R1.1 C=CCNCc1ccc(cn1)Cl 34a_100000697193_100015514636 [0,2,0,0,0,0|2,0,0]=4 4104 B12R1.1 C=CCNCc1ccc(cn1)F 2230a_100020586998_100000703193 [0,2,0,0,0,0|2,0,0]=4 4105 B12R1.1 C=CCNCc1ccc(cn1)F 270004a_100020586998_100011934744 [0,2,0,0,0,0|2,0,0]=4 4106 B12R1.1 C=CCNCc1ccc(cn1)F 34a_100020620131_100015514636 [0,2,0,0,0,0|2,0,0]=4 4107 B12R1.1 C=CCNCc1ccc(nc1)Br 2230a_100009817727_100000210623 [0,2,0,0,0,0|2,0,0]=4 4108 B12R1.1 C=CCNCc1ccc(nc1)Br 2230a_100020586998_100009831999 [0,2,0,0,0,0|2,0,0]=4 4109 B12R1.1 C=CCNCc1ccc(nc1)Br 34a_100009817727_100015514636 [0,2,0,0,0,0|2,0,0]=4 4110 B12R1.1 C=CCNCc1ccc(nc1)C 2230a_100020586998_100016987292 [0,2,0,0,0,0|2,0,0]=4 4111 B12R1.1 C=CCNCc1ccc(nc1)C 270004a_100020586998_100000743784 [0,2,0,0,0,0|2,0,0]=4 4112 B12R1.1 C=CCNCc1ccc(nc1)C 34a_100000740942_100015514636 [0,2,0,0,0,0|2,0,0]=4 4113 B12R1.1 C=CCNCc1ccc(nc1)Cl 2230a_100000735879_100000210623 [0,2,0,0,0,0|2,0,0]=4 4114 B12R1.1 C=CCNCc1ccc(nc1)Cl 2230a_100020586998_100000735431 [0,2,0,0,0,0|2,0,0]=4 4115 B12R1.1 C=CCNCc1ccc(nc1)Cl 34a_100000735879_100015514636 [0,2,0,0,0,0|2,0,0]=4 4116 B12R1.1 C=CCNCc1ccc(nc1)F 2230a_100000101913_100000210623 [0,2,0,0,0,0|2,0,0]=4 4117 B12R1.1 C=CCNCc1ccc(nc1)F 2230a_100020586998_100009820150 [0,2,0,0,0,0|2,0,0]=4 4118 B12R1.1 C=CCNCc1ccc(nc1)F 34a_100000101913_100015514636 [0,2,0,0,0,0|2,0,0]=4 4119 B12R1.1 C=CCNCc1ccc(nc1)O 2230a_100000757128_100000210623 [0,2,0,0,0,0|2,0,0]=4 4120 B12R1.1 C=CCOCc1cc[n+](cc1)C 34a_100009831711_100015514636 [0,2,0,0,0,0|1,0,0]=3 4121 B12R1.1 C=CCOCc1cc[n+](cc1)[O-] 34a_100000031831_100015514636 [0,2,0,0,0,0|1,0,0]=3 4122 B12R1.1 C=CCOCc1cc[n+](cc1)[O-] 7a_100000031831_100015514636 [0,2,0,0,0,0|1,0,0]=3 4123 B12R1.1 C=CCOCc1ccc(=O)[nH]c1 34a_100011999846_100015514636 [0,2,0,0,0,0|1,0,0]=3 4124 B12R1.1 C=CCOCc1ccc(cc1)Br 34a_100000695286_100015514636 [0,2,0,0,0,0|0,0,0]=2 4125 B12R1.1 C=CCOCc1ccc(cc1)Br 34a_200000210373_100000189115 [0,2,0,0,0,0|0,0,0]=2 4126 B12R1.1 C=CCOCc1ccc(cc1)C 34a_100011215236_100015514636 [0,2,0,0,0,0|0,0,0]=2 4127 B12R1.1 C=CCOCc1ccc(cc1)C 34a_200000210373_100000210814 [0,2,0,0,0,0|0,0,0]=2 4128 B12R1.1 C=CCOCc1ccc(cc1)C 7a_100011215236_100015514636 [0,2,0,0,0,0|0,0,0]=2 4129 B12R1.1 C=CCOCc1ccc(cc1)Cl 34a_100000211118_100015514636 [0,2,0,0,0,0|0,0,0]=2 4130 B12R1.1 C=CCOCc1ccc(cc1)Cl 34a_200000210373_100000694040 [0,2,0,0,0,0|0,0,0]=2 4131 B12R1.1 C=CCOCc1ccc(cc1)Cl 7a_100000211118_100015514636 [0,2,0,0,0,0|0,0,0]=2 4132 B12R1.1 C=CCOCc1ccc(cc1)F 34a_100000210977_100015514636 [0,2,0,0,0,0|0,0,0]=2 4133 B12R1.1 C=CCOCc1ccc(cc1)F 34a_200000210373_100000198546 [0,2,0,0,0,0|0,0,0]=2 4134 B12R1.1 C=CCOCc1ccc(cc1)F 7a_100000210977_100015514636 [0,2,0,0,0,0|0,0,0]=2 4135 B12R1.1 C=CCOCc1ccc(cc1)I 34a_100000690907_100015514636 [0,2,0,0,0,0|0,0,0]=2 4136 B12R1.1 C=CCOCc1ccc(cc1)I 34a_200000210373_100000189116 [0,2,0,0,0,0|0,0,0]=2 4137 B12R1.1 C=CCOCc1ccc(cc1)I 7a_100000690907_100015514636 [0,2,0,0,0,0|0,0,0]=2 4138 B12R1.1 C=CCOCc1ccc(cc1)N 34a_100011215238_100015514636 [0,2,0,0,0,0|0,0,0]=2 4139 B12R1.1 C=CCOCc1ccc(cn1)Br 34a_100000754261_100015514636 [0,2,0,0,0,0|1,0,0]=3 4140 B12R1.1 C=CCOCc1ccc(cn1)Br 34a_200000210373_100000702658 [0,2,0,0,0,0|1,0,0]=3 4141 B12R1.1 C=CCOCc1ccc(cn1)C 34a_100012001401_100015514636 [0,2,0,0,0,0|1,0,0]=3 4142 B12R1.1 C=CCOCc1ccc(cn1)C 34a_200000210373_100000691093 [0,2,0,0,0,0|1,0,0]=3 4143 B12R1.1 C=CCOCc1ccc(cn1)Cl 34a_100000703999_100015514636 [0,2,0,0,0,0|1,0,0]=3 4144 B12R1.1 C=CCOCc1ccc(cn1)Cl 34a_200000210373_100012066911 [0,2,0,0,0,0|1,0,0]=3 4145 B12R1.1 C=CCOCc1ccc(cn1)F 34a_100011999454_100015514636 [0,2,0,0,0,0|1,0,0]=3 4146 B12R1.1 C=CCOCc1ccc(cn1)F 34a_200000210373_100000703193 [0,2,0,0,0,0|1,0,0]=3 4147 B12R1.1 C=CCOCc1ccc(cn1)N 34a_100011998161_100015514636 [0,2,0,0,0,0|1,0,0]=3 4148 B12R1.1 C=CCOCc1ccc(nc1)Br 34a_100009816760_100015514636 [0,2,0,0,0,0|1,0,0]=3 4149 B12R1.1 C=CCOCc1ccc(nc1)Br 34a_200000210373_100009831999 [0,2,0,0,0,0|1,0,0]=3 4150 B12R1.1 C=CCOCc1ccc(nc1)Br 7a_100009816760_100015514636 [0,2,0,0,0,0|1,0,0]=3 4151 B12R1.1 C=CCOCc1ccc(nc1)C 34a_100011248133_100015514636 [0,2,0,0,0,0|1,0,0]=3 4152 B12R1.1 C=CCOCc1ccc(nc1)C 34a_200000210373_100016987292 [0,2,0,0,0,0|1,0,0]=3 4153 B12R1.1 C=CCOCc1ccc(nc1)Cl 34a_100000755211_100015514636 [0,2,0,0,0,0|1,0,0]=3 4154 B12R1.1 C=CCOCc1ccc(nc1)Cl 34a_200000210373_100000735431 [0,2,0,0,0,0|1,0,0]=3 4155 B12R1.1 C=CCOCc1ccc(nc1)Cl 7a_100000755211_100015514636 [0,2,0,0,0,0|1,0,0]=3 4156 B12R1.1 C=CCOCc1ccc(nc1)F 34a_100000079959_100015514636 [0,2,0,0,0,0|1,0,0]=3 4157 B12R1.1 C=CCOCc1ccc(nc1)F 34a_200000210373_100000099788 [0,2,0,0,0,0|1,0,0]=3 4158 B12R1.1 C=CCOCc1ccc(nc1)N 34a_100000704267_100015514636 [0,2,0,0,0,0|1,0,0]=3 4159 B12R1.1 C=CCOCc1ccc(nn1)Cl 34a_200000210373_100016992710 [0,2,0,0,0,0|2,0,0]=4 4160 B12R1.1 C=CCOCc1cnc(cn1)C 34a_100011273949_100015514636 [0,2,0,0,0,0|2,0,0]=4 4161 B12R1.1 C=CCOCc1cnc(cn1)Cl 34a_100012002382_100015514636 [0,2,0,0,0,0|2,0,0]=4 4162 B12R1.1 C=CCOCc1cnc(nc1)C 34a_100011746891_100015514636 [0,2,0,0,0,0|2,0,0]=4 4163 B12R1.1 C=CCOCc1cnc(nc1)Cl 34a_100009855073_100015514636 [0,2,0,0,0,0|2,0,0]=4 4164 B12R1.1 C=CCOCc1cnc(nc1)Cl 7a_100009855073_100015514636 [0,2,0,0,0,0|2,0,0]=4 4165 B12R1.1 C=CCOCc1ncc(cn1)Br 34a_200000210373_100010064664 [0,2,0,0,0,0|2,0,0]=4 4166 B12R1.1 C=CCOCc1ncc(cn1)C 34a_200000210373_100000685645 [0,2,0,0,0,0|2,0,0]=4 4167 B12R1.1 C=CCSCc1ccc(cc1)Br 62a_100000189115_100000210623 [0,2,0,0,0,0|0,1,0]=3 4168 B12R1.1 C=CCSCc1ccc(cc1)Br 62a_100000210623_100000189115 [0,2,0,0,0,0|0,1,0]=3 4169 B12R1.1 C=CCSCc1ccc(cc1)C 62a_100000210623_100000210814 [0,2,0,0,0,0|0,1,0]=3 4170 B12R1.1 C=CCSCc1ccc(cc1)C 62a_100000210814_100000210623 [0,2,0,0,0,0|0,1,0]=3 4171 B12R1.1 C=CCSCc1ccc(cc1)Cl 62a_100000187161_100000210623 [0,2,0,0,0,0|0,1,0]=3 4172 B12R1.1 C=CCSCc1ccc(cc1)Cl 62a_100000210623_100000187161 [0,2,0,0,0,0|0,1,0]=3 4173 B12R1.1 C=CCSCc1ccc(cc1)F 62a_100000198546_100000210623 [0,2,0,0,0,0|0,1,0]=3 4174 B12R1.1 C=CCSCc1ccc(cc1)F 62a_100000210623_100000187164 [0,2,0,0,0,0|0,1,0]=3 4175 B12R1.1 C=CCSCc1ccc(cc1)I 62a_100000189116_100000210623 [0,2,0,0,0,0|0,1,0]=3 4176 B12R1.1 C=CCSCc1ccc(cc1)I 62a_100000210623_100000189116 [0,2,0,0,0,0|0,1,0]=3 4177 B12R1.1 C=CCSCc1ccc(cn1)Br 62a_100000210623_100000702658 [0,2,0,0,0,0|1,1,0]=4 4178 B12R1.1 C=CCSCc1ccc(cn1)Br 62a_100000702658_100000210623 [0,2,0,0,0,0|1,1,0]=4 4179 B12R1.1 C=CCSCc1ccc(cn1)C 62a_100000210623_100000691093 [0,2,0,0,0,0|1,1,0]=4 4180 B12R1.1 C=CCSCc1ccc(cn1)C 62a_100000691093_100000210623 [0,2,0,0,0,0|1,1,0]=4 4181 B12R1.1 C=CCSCc1ccc(cn1)Cl 62a_100000210623_100000697101 [0,2,0,0,0,0|1,1,0]=4 4182 B12R1.1 C=CCSCc1ccc(cn1)Cl 62a_100012066911_100000210623 [0,2,0,0,0,0|1,1,0]=4 4183 B12R1.1 C=CCSCc1ccc(cn1)F 62a_100000210623_100000703193 [0,2,0,0,0,0|1,1,0]=4 4184 B12R1.1 C=CCSCc1ccc(cn1)F 62a_100000703193_100000210623 [0,2,0,0,0,0|1,1,0]=4 4185 B12R1.1 C=CCSCc1ccc(nc1)Br 62a_100000210623_100009831999 [0,2,0,0,0,0|1,1,0]=4 4186 B12R1.1 C=CCSCc1ccc(nc1)Br 62a_100009831999_100000210623 [0,2,0,0,0,0|1,1,0]=4 4187 B12R1.1 C=CCSCc1ccc(nc1)C 62a_100000210623_100016987292 [0,2,0,0,0,0|1,1,0]=4 4188 B12R1.1 C=CCSCc1ccc(nc1)C 62a_100016987292_100000210623 [0,2,0,0,0,0|1,1,0]=4 4189 B12R1.1 C=CCSCc1ccc(nc1)Cl 62a_100000210623_100000735431 [0,2,0,0,0,0|1,1,0]=4 4190 B12R1.1 C=CCSCc1ccc(nc1)Cl 62a_100000735431_100000210623 [0,2,0,0,0,0|1,1,0]=4 4191 B12R1.1 C=CCSCc1ccc(nc1)F 62a_100000210623_100000099788 [0,2,0,0,0,0|1,1,0]=4 4192 B12R1.1 C=CCSCc1ccc(nc1)F 62a_100009820150_100000210623 [0,2,0,0,0,0|1,1,0]=4 4193 B12R1.1 CC#CCOc1ccc(cc1)Br 34a_100000185759_100000748600 [0,2,0,0,0,0|0,0,2]=4 4194 B12R1.1 CC#CCOc1ccc(cc1)Br 7a_100000185759_100000748600 [0,2,0,0,0,0|0,0,2]=4 4195 B12R1.1 CC#CCOc1ccc(cc1)C 34a_100000210336_100000748600 [0,2,0,0,0,0|0,0,2]=4 4196 B12R1.1 CC#CCOc1ccc(cc1)C 7a_100000210336_100000748600 [0,2,0,0,0,0|0,0,2]=4 4197 B12R1.1 CC#CCOc1ccc(cc1)Cl 34a_100000210216_100000748600 [0,2,0,0,0,0|0,0,2]=4 4198 B12R1.1 CC#CCOc1ccc(cc1)Cl 7a_100000210216_100000748600 [0,2,0,0,0,0|0,0,2]=4 4199 B12R1.1 CC#CCOc1ccc(cc1)F 34a_100000210339_100000748600 [0,2,0,0,0,0|0,0,2]=4 4200 B12R1.1 CC#CCOc1ccc(cc1)I 34a_100000212066_100000748600 [0,2,0,0,0,0|0,0,2]=4 4201 B12R1.1 CC#CCOc1ccc(cc1)I 7a_100000212066_100000748600 [0,2,0,0,0,0|0,0,2]=4 4202 B12R1.1 CC#CCOc1ccc(cc1)N 34a_100000185829_100000748600 [0,2,0,0,0,0|0,0,2]=4 4203 B12R1.1 CC=CCNc1ccc(cc1)Br 2230a_100000210018_100000070051 [0,2,0,0,0,0|1,0,0]=3 4204 B12R1.1 CC=CCNc1ccc(cc1)Br 34a_100000210018_100000070051 [0,2,0,0,0,0|1,0,0]=3 4205 B12R1.1 CC=CCNc1ccc(cc1)C 34a_100000124888_100000070051 [0,2,0,0,0,0|1,0,0]=3 4206 B12R1.1 CC=CCNc1ccc(cc1)Cl 2230a_100000210052_100000070051 [0,2,0,0,0,0|1,0,0]=3 4207 B12R1.1 CC=CCNc1ccc(cc1)Cl 34a_100000210052_100000070051 [0,2,0,0,0,0|1,0,0]=3 4208 B12R1.1 CC=CCNc1ccc(cc1)F 34a_100000185862_100000070051 [0,2,0,0,0,0|1,0,0]=3 4209 B12R1.1 CC=CCNc1ccc(cc1)I 34a_100000185761_100000070051 [0,2,0,0,0,0|1,0,0]=3 4210 B12R1.1 CC=CCNc1ccc(cc1)O 34a_100000185829_100000070051 [0,2,0,0,0,0|1,0,0]=3 4211 B12R1.1 CC=CCOc1ccc(=O)[nH]c1 34a_100000075641_100000070051 [0,2,0,0,0,0|1,0,0]=3 4212 B12R1.1 CC=CCOc1ccc(cc1)Br 34a_100000185759_100000070051 [0,2,0,0,0,0|0,0,0]=2 4213 B12R1.1 CC=CCOc1ccc(cc1)Br 7a_100000185759_100000070051 [0,2,0,0,0,0|0,0,0]=2 4214 B12R1.1 CC=CCOc1ccc(cc1)C 34a_100000210336_100000070051 [0,2,0,0,0,0|0,0,0]=2 4215 B12R1.1 CC=CCOc1ccc(cc1)C 7a_100000210336_100000070051 [0,2,0,0,0,0|0,0,0]=2 4216 B12R1.1 CC=CCOc1ccc(cc1)Cl 34a_100000210216_100000070051 [0,2,0,0,0,0|0,0,0]=2 4217 B12R1.1 CC=CCOc1ccc(cc1)Cl 7a_100000210216_100000070051 [0,2,0,0,0,0|0,0,0]=2 4218 B12R1.1 CC=CCOc1ccc(cc1)F 34a_100000210339_100000070051 [0,2,0,0,0,0|0,0,0]=2 4219 B12R1.1 CC=CCOc1ccc(cc1)I 34a_100000212066_100000070051 [0,2,0,0,0,0|0,0,0]=2 4220 B12R1.1 CC=CCOc1ccc(cc1)I 7a_100000212066_100000070051 [0,2,0,0,0,0|0,0,0]=2 4221 B12R1.1 CC=CCOc1ccc(cc1)N 34a_100000185829_100000070051 [0,2,0,0,0,0|0,0,0]=2 4222 B12R1.1 CC=CCOc1ccc(cn1)C 34a_100000759353_100000070051 [0,2,0,0,0,0|1,0,0]=3 4223 B12R1.1 CC=CCOc1ccc(cn1)Cl 34a_100011215309_100000070051 [0,2,0,0,0,0|1,0,0]=3 4224 B12R1.1 CC=CCOc1ccc(cn1)F 34a_100000742473_100000070051 [0,2,0,0,0,0|1,0,0]=3 4225 B12R1.1 CC=CCOc1ccc(cn1)N 34a_100000729260_100000070051 [0,2,0,0,0,0|1,0,0]=3 4226 B12R1.1 CC=CCOc1ccc(nc1)Br 34a_100000685995_100000070051 [0,2,0,0,0,0|1,0,0]=3 4227 B12R1.1 CC=CCOc1ccc(nc1)Br 7a_100000685995_100000070051 [0,2,0,0,0,0|1,0,0]=3 4228 B12R1.1 CC=CCOc1ccc(nc1)C 34a_100000745506_100000070051 [0,2,0,0,0,0|1,0,0]=3 4229 B12R1.1 CC=CCOc1ccc(nc1)C 7a_100000745506_100000070051 [0,2,0,0,0,0|1,0,0]=3 4230 B12R1.1 CC=CCOc1ccc(nc1)Cl 34a_100000744096_100000070051 [0,2,0,0,0,0|1,0,0]=3 4231 B12R1.1 CC=CCOc1ccc(nc1)Cl 7a_100000744096_100000070051 [0,2,0,0,0,0|1,0,0]=3 4232 B12R1.1 CC=CCOc1ccc(nc1)F 34a_100000688820_100000070051 [0,2,0,0,0,0|1,0,0]=3 4233 B12R1.1 CC=CCOc1ccc(nc1)F 7a_100000688820_100000070051 [0,2,0,0,0,0|1,0,0]=3 4234 B12R1.1 CC=CCOc1ccc(nc1)I 34a_100000687607_100000070051 [0,2,0,0,0,0|1,0,0]=3 4235 B12R1.1 CC=CCOc1ccc(nc1)I 7a_100000687607_100000070051 [0,2,0,0,0,0|1,0,0]=3 4236 B12R1.1 CC=CCOc1ccc(nc1)N 34a_100015188713_100000070051 [0,2,0,0,0,0|1,0,0]=3 4237 B12R1.1 CC=CCOc1ccc(nc1)N 7a_100015188713_100000070051 [0,2,0,0,0,0|1,0,0]=3 4238 B12R1.1 CC=CCOc1cnc(cn1)Br 34a_100011934580_100000070051 [0,2,0,0,0,0|2,0,0]=4 4239 B12R1.1 CC=CCOc1cnc(cn1)Cl 34a_100015839800_100000070051 [0,2,0,0,0,0|2,0,0]=4 4240 B12R1.1 CC=CCOc1cnc(nc1)Br 34a_100000730009_100000070051 [0,2,0,0,0,0|2,0,0]=4 4241 B12R1.1 CC=CCOc1cnc(nc1)Br 7a_100000730009_100000070051 [0,2,0,0,0,0|2,0,0]=4 4242 B12R1.1 CC=CCOc1cnc(nc1)C 34a_100000062939_100000070051 [0,2,0,0,0,0|2,0,0]=4 4243 B12R1.1 CC=CCOc1cnc(nc1)C 7a_100000062939_100000070051 [0,2,0,0,0,0|2,0,0]=4 4244 B12R1.1 CC=CCOc1cnc(nc1)Cl 34a_100000092845_100000070051 [0,2,0,0,0,0|2,0,0]=4 4245 B12R1.1 CC=CCOc1cnc(nc1)Cl 7a_100000092845_100000070051 [0,2,0,0,0,0|2,0,0]=4 4246 B12R1.1 CC=CCOc1cnc(nc1)F 34a_200009874573_100000070051 [0,2,0,0,0,0|2,0,0]=4 4247 B12R1.1 CC=CCOc1cnc(nc1)F 7a_200009874573_100000070051 [0,2,0,0,0,0|2,0,0]=4 4248 B12R1.1 CC=CCOc1cnc(nc1)N 34a_100000087137_100000070051 [0,2,0,0,0,0|2,0,0]=4 4249 B12R1.1 CC=CCOc1cnc(nc1)N 7a_100000087137_100000070051 [0,2,0,0,0,0|2,0,0]=4 4250 B12R1.1 CC=CCOc1ncc(cn1)F 34a_100011934040_100000070051 [0,2,0,0,0,0|2,0,0]=4 4251 B12R1.1 CC=CCSc1cc[n+](cc1)[O-] 62a_100000070051_100000039755 [0,2,0,0,0,0|1,1,0]=4 4252 B12R1.1 CC=CCSc1ccc(=O)[nH]c1 62a_100000070051_100000212171 [0,2,0,0,0,0|1,1,0]=4 4253 B12R1.1 CC=CCSc1ccc(=O)[nH]c1 62a_100000212171_100000070051 [0,2,0,0,0,0|1,1,0]=4 4254 B12R1.1 CC=CCSc1ccc(cc1)Br 62a_100000070051_100000752885 [0,2,0,0,0,0|0,1,0]=3 4255 B12R1.1 CC=CCSc1ccc(cc1)Br 62a_100000752885_100000070051 [0,2,0,0,0,0|0,1,0]=3 4256 B12R1.1 CC=CCSc1ccc(cc1)C 62a_100000070051_100000186775 [0,2,0,0,0,0|0,1,0]=3 4257 B12R1.1 CC=CCSc1ccc(cc1)C 62a_100000186775_100000070051 [0,2,0,0,0,0|0,1,0]=3 4258 B12R1.1 CC=CCSc1ccc(cc1)Cl 62a_100000070051_100000755918 [0,2,0,0,0,0|0,1,0]=3 4259 B12R1.1 CC=CCSc1ccc(cc1)Cl 62a_100000755918_100000070051 [0,2,0,0,0,0|0,1,0]=3 4260 B12R1.1 CC=CCSc1ccc(cc1)F 62a_100000070051_100000211213 [0,2,0,0,0,0|0,1,0]=3 4261 B12R1.1 CC=CCSc1ccc(cc1)F 62a_100000211213_100000070051 [0,2,0,0,0,0|0,1,0]=3 4262 B12R1.1 CC=CCSc1ccc(cc1)N 62a_100000070051_100000185761 [0,2,0,0,0,0|0,1,0]=3 4263 B12R1.1 CC=CCSc1ccc(cc1)N 62a_100000185761_100000070051 [0,2,0,0,0,0|0,1,0]=3 4264 B12R1.1 CC=CCSc1ccc(cc1)O 62a_100000070051_100000185759 [0,2,0,0,0,0|0,1,0]=3 4265 B12R1.1 CC=CCSc1ccc(cn1)Br 62a_100000070051_100000686858 [0,2,0,0,0,0|1,1,0]=4 4266 B12R1.1 CC=CCSc1ccc(cn1)Br 62a_100000686858_100000070051 [0,2,0,0,0,0|1,1,0]=4 4267 B12R1.1 CC=CCSc1ccc(cn1)C 62a_100000070051_100000754016 [0,2,0,0,0,0|1,1,0]=4 4268 B12R1.1 CC=CCSc1ccc(cn1)C 62a_100011192072_100000070051 [0,2,0,0,0,0|1,1,0]=4 4269 B12R1.1 CC=CCSc1ccc(cn1)Cl 62a_100000070051_100011356976 [0,2,0,0,0,0|1,1,0]=4 4270 B12R1.1 CC=CCSc1ccc(cn1)Cl 62a_100011356976_100000070051 [0,2,0,0,0,0|1,1,0]=4 4271 B12R1.1 CC=CCSc1ccc(cn1)F 62a_100000070051_100000744514 [0,2,0,0,0,0|1,1,0]=4 4272 B12R1.1 CC=CCSc1ccc(cn1)F 62a_100000744514_100000070051 [0,2,0,0,0,0|1,1,0]=4 4273 B12R1.1 CC=CCSc1ccc(cn1)N 62a_100000070051_100000737798 [0,2,0,0,0,0|1,1,0]=4 4274 B12R1.1 CC=CCSc1ccc(cn1)N 62a_100000737798_100000070051 [0,2,0,0,0,0|1,1,0]=4 4275 B12R1.1 CC=CCSc1ccc(cn1)O 62a_100000070051_100000744096 [0,2,0,0,0,0|1,1,0]=4 4276 B12R1.1 CC=CCSc1ccc(cn1)O 62a_100000685995_100000070051 [0,2,0,0,0,0|1,1,0]=4 4277 B12R1.1 CC=CCSc1ccc(nc1)Br 62a_100000070051_100009814638 [0,2,0,0,0,0|1,1,0]=4 4278 B12R1.1 CC=CCSc1ccc(nc1)Br 62a_100009814638_100000070051 [0,2,0,0,0,0|1,1,0]=4 4279 B12R1.1 CC=CCSc1ccc(nc1)C 62a_100000070051_100000751577 [0,2,0,0,0,0|1,1,0]=4 4280 B12R1.1 CC=CCSc1ccc(nc1)C 62a_100000751577_100000070051 [0,2,0,0,0,0|1,1,0]=4 4281 B12R1.1 CC=CCSc1ccc(nc1)Cl 62a_100000034144_100000070051 [0,2,0,0,0,0|1,1,0]=4 4282 B12R1.1 CC=CCSc1ccc(nc1)Cl 62a_100000070051_100000034144 [0,2,0,0,0,0|1,1,0]=4 4283 B12R1.1 CC=CCSc1ccc(nc1)F 62a_100000042367_100000070051 [0,2,0,0,0,0|1,1,0]=4 4284 B12R1.1 CC=CCSc1ccc(nc1)F 62a_100000070051_100000042367 [0,2,0,0,0,0|1,1,0]=4 4285 B12R1.1 CC=CCSc1ccc(nc1)N 62a_100000070051_100000187370 [0,2,0,0,0,0|1,1,0]=4 4286 B12R1.1 CC=CCSc1ccc(nc1)N 62a_100000187370_100000070051 [0,2,0,0,0,0|1,1,0]=4 4287 B12R1.1 CCCCOc1ccc(cc1)Br 34a_100000185759_100000210210 [0,2,0,0,0,0|0,0,2]=4 4288 B12R1.1 CCCCOc1ccc(cc1)Br 7a_100000185759_100000210211 [0,2,0,0,0,0|0,0,2]=4 4289 B12R1.1 CCCCOc1ccc(cc1)C 34a_100000210336_100000210210 [0,2,0,0,0,0|0,0,2]=4 4290 B12R1.1 CCCCOc1ccc(cc1)C 7a_100000210336_100000210211 [0,2,0,0,0,0|0,0,2]=4 4291 B12R1.1 CCCCOc1ccc(cc1)Cl 34a_100000210216_100000210210 [0,2,0,0,0,0|0,0,2]=4 4292 B12R1.1 CCCCOc1ccc(cc1)Cl 7a_100000210216_100000210211 [0,2,0,0,0,0|0,0,2]=4 4293 B12R1.1 CCCCOc1ccc(cc1)F 34a_100000210339_100000210210 [0,2,0,0,0,0|0,0,2]=4 4294 B12R1.1 CCCCOc1ccc(cc1)I 34a_100000212066_100000210210 [0,2,0,0,0,0|0,0,2]=4 4295 B12R1.1 CCCCOc1ccc(cc1)I 7a_100000212066_100000210211 [0,2,0,0,0,0|0,0,2]=4 4296 B12R1.1 CCCCOc1ccc(cc1)N 34a_100000185829_100000210210 [0,2,0,0,0,0|0,0,2]=4 4297 B12R1.1 CCCCOc1ccc(cc1)O 271570a_203496583355_100000230682 [0,2,0,0,0,0|0,0,2]=4 4298 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000210258_100000189115 [0,2,0,0,0,0|0,0,2]=4 4299 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000695286_100000210303 [0,2,0,0,0,0|0,0,2]=4 4300 B12R1.1 CCCOCc1ccc(cc1)C 34a_100000210258_100000210814 [0,2,0,0,0,0|0,0,2]=4 4301 B12R1.1 CCCOCc1ccc(cc1)C 34a_100011215236_100000210303 [0,2,0,0,0,0|0,0,2]=4 4302 B12R1.1 CCCOCc1ccc(cc1)C 7a_100011215236_100000210303 [0,2,0,0,0,0|0,0,2]=4 4303 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000210258_100000694040 [0,2,0,0,0,0|0,0,2]=4 4304 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000211118_100000210303 [0,2,0,0,0,0|0,0,2]=4 4305 B12R1.1 CCCOCc1ccc(cc1)Cl 7a_100000211118_100000210303 [0,2,0,0,0,0|0,0,2]=4 4306 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210258_100000198546 [0,2,0,0,0,0|0,0,2]=4 4307 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210977_100000210303 [0,2,0,0,0,0|0,0,2]=4 4308 B12R1.1 CCCOCc1ccc(cc1)F 7a_100000210977_100000210303 [0,2,0,0,0,0|0,0,2]=4 4309 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000210258_100000189116 [0,2,0,0,0,0|0,0,2]=4 4310 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000690907_100000210303 [0,2,0,0,0,0|0,0,2]=4 4311 B12R1.1 CCCOCc1ccc(cc1)I 7a_100000690907_100000210303 [0,2,0,0,0,0|0,0,2]=4 4312 B12R1.1 CCCOCc1ccc(cc1)N 34a_100011215238_100000210303 [0,2,0,0,0,0|0,0,2]=4 4313 B12R1.1 CNCCOc1ccc(cc1)Br 2230a_100000746992_200000210301 [0,2,0,0,0,0|0,0,2]=4 4314 B12R1.1 CNCCOc1ccc(cc1)Br 2230a_106832991635_100000183278 [0,2,0,0,0,0|0,0,2]=4 4315 B12R1.1 CNCCOc1ccc(cc1)Br 34a_100000746992_200000210301 [0,2,0,0,0,0|0,0,2]=4 4316 B12R1.1 CNCCOc1ccc(cc1)Br 34a_100102657272_100000183278 [0,2,0,0,0,0|0,0,2]=4 4317 B12R1.1 CNCCOc1ccc(cc1)Br 7a_106832991635_100000183278 [0,2,0,0,0,0|0,0,2]=4 4318 B12R1.1 CNCCOc1ccc(cc1)C 2230a_100020666663_200000210301 [0,2,0,0,0,0|0,0,2]=4 4319 B12R1.1 CNCCOc1ccc(cc1)C 2230a_106832991635_100000183172 [0,2,0,0,0,0|0,0,2]=4 4320 B12R1.1 CNCCOc1ccc(cc1)C 34a_100020666663_200000210301 [0,2,0,0,0,0|0,0,2]=4 4321 B12R1.1 CNCCOc1ccc(cc1)C 34a_100102657272_100000183172 [0,2,0,0,0,0|0,0,2]=4 4322 B12R1.1 CNCCOc1ccc(cc1)C 7a_106832991635_100000183172 [0,2,0,0,0,0|0,0,2]=4 4323 B12R1.1 CNCCOc1ccc(cc1)Cl 2230a_100000697975_200000210301 [0,2,0,0,0,0|0,0,2]=4 4324 B12R1.1 CNCCOc1ccc(cc1)Cl 2230a_106832991635_100000184122 [0,2,0,0,0,0|0,0,2]=4 4325 B12R1.1 CNCCOc1ccc(cc1)Cl 34a_100000697975_200000210301 [0,2,0,0,0,0|0,0,2]=4 4326 B12R1.1 CNCCOc1ccc(cc1)Cl 34a_100102657272_100000184122 [0,2,0,0,0,0|0,0,2]=4 4327 B12R1.1 CNCCOc1ccc(cc1)Cl 7a_106832991635_100000184122 [0,2,0,0,0,0|0,0,2]=4 4328 B12R1.1 CNCCOc1ccc(cc1)F 2230a_100000737420_200000210301 [0,2,0,0,0,0|0,0,2]=4 4329 B12R1.1 CNCCOc1ccc(cc1)F 2230a_106832991635_100000184936 [0,2,0,0,0,0|0,0,2]=4 4330 B12R1.1 CNCCOc1ccc(cc1)F 34a_100000737420_200000210301 [0,2,0,0,0,0|0,0,2]=4 4331 B12R1.1 CNCCOc1ccc(cc1)F 34a_100102657272_100000184936 [0,2,0,0,0,0|0,0,2]=4 4332 B12R1.1 CNCCOc1ccc(cc1)F 7a_106832991635_100000184936 [0,2,0,0,0,0|0,0,2]=4 4333 B12R1.1 COCCOc1ccc(cc1)Br 34a_100000185759_100011201679 [0,2,0,0,0,0|0,0,2]=4 4334 B12R1.1 COCCOc1ccc(cc1)Br 34a_100000686261_200000210301 [0,2,0,0,0,0|0,0,2]=4 4335 B12R1.1 COCCOc1ccc(cc1)Br 34a_100138415774_100000183278 [0,2,0,0,0,0|0,0,2]=4 4336 B12R1.1 COCCOc1ccc(cc1)Br 7a_100000185759_100000233755 [0,2,0,0,0,0|0,0,2]=4 4337 B12R1.1 COCCOc1ccc(cc1)Br 7a_100000686261_200000210301 [0,2,0,0,0,0|0,0,2]=4 4338 B12R1.1 COCCOc1ccc(cc1)C 34a_100000210336_100011201679 [0,2,0,0,0,0|0,0,2]=4 4339 B12R1.1 COCCOc1ccc(cc1)C 34a_100011219107_200000210301 [0,2,0,0,0,0|0,0,2]=4 4340 B12R1.1 COCCOc1ccc(cc1)C 34a_100138415774_100000183172 [0,2,0,0,0,0|0,0,2]=4 4341 B12R1.1 COCCOc1ccc(cc1)C 7a_100000210336_100000233755 [0,2,0,0,0,0|0,0,2]=4 4342 B12R1.1 COCCOc1ccc(cc1)C 7a_100011219107_200000210301 [0,2,0,0,0,0|0,0,2]=4 4343 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100000210216_100011201679 [0,2,0,0,0,0|0,0,2]=4 4344 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100000237962_200000210301 [0,2,0,0,0,0|0,0,2]=4 4345 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100138415774_100000184122 [0,2,0,0,0,0|0,0,2]=4 4346 B12R1.1 COCCOc1ccc(cc1)Cl 7a_100000210216_100000233755 [0,2,0,0,0,0|0,0,2]=4 4347 B12R1.1 COCCOc1ccc(cc1)Cl 7a_100000237962_200000210301 [0,2,0,0,0,0|0,0,2]=4 4348 B12R1.1 COCCOc1ccc(cc1)F 34a_100000210339_100011201679 [0,2,0,0,0,0|0,0,2]=4 4349 B12R1.1 COCCOc1ccc(cc1)F 34a_100138415774_100000184936 [0,2,0,0,0,0|0,0,2]=4 4350 B12R1.1 COCCOc1ccc(cc1)I 34a_100000212066_100011201679 [0,2,0,0,0,0|0,0,2]=4 4351 B12R1.1 COCCOc1ccc(cc1)I 7a_100000212066_100000233755 [0,2,0,0,0,0|0,0,2]=4 4352 B12R1.1 COCCOc1ccc(cc1)N 34a_100000185829_100011201679 [0,2,0,0,0,0|0,0,2]=4 4353 B12R1.1 COCCOc1ccc(cc1)N 34a_100000754363_200000210301 [0,2,0,0,0,0|0,0,2]=4 4354 B12R1.1 COCCOc1ccc(cc1)O 271570a_203496583355_100000234135 [0,2,0,0,0,0|0,0,2]=4 4355 B12R1.1 CSCCOc1ccc(cc1)Br 34a_100000185759_100000212216 [0,2,0,0,0,0|0,0,2]=4 4356 B12R1.1 CSCCOc1ccc(cc1)Br 62a_100000183278_200000210301 [0,2,0,0,0,0|0,0,2]=4 4357 B12R1.1 CSCCOc1ccc(cc1)Br 62a_200000210301_100000183278 [0,2,0,0,0,0|0,0,2]=4 4358 B12R1.1 CSCCOc1ccc(cc1)Br 7a_100000185759_100000212216 [0,2,0,0,0,0|0,0,2]=4 4359 B12R1.1 CSCCOc1ccc(cc1)C 34a_100000210336_100000212216 [0,2,0,0,0,0|0,0,2]=4 4360 B12R1.1 CSCCOc1ccc(cc1)C 62a_100000183172_200000210301 [0,2,0,0,0,0|0,0,2]=4 4361 B12R1.1 CSCCOc1ccc(cc1)C 62a_200000210301_100000183172 [0,2,0,0,0,0|0,0,2]=4 4362 B12R1.1 CSCCOc1ccc(cc1)C 7a_100000210336_100000212216 [0,2,0,0,0,0|0,0,2]=4 4363 B12R1.1 CSCCOc1ccc(cc1)Cl 34a_100000210216_100000212216 [0,2,0,0,0,0|0,0,2]=4 4364 B12R1.1 CSCCOc1ccc(cc1)Cl 62a_100000184122_200000210301 [0,2,0,0,0,0|0,0,2]=4 4365 B12R1.1 CSCCOc1ccc(cc1)Cl 62a_200000210301_100000184122 [0,2,0,0,0,0|0,0,2]=4 4366 B12R1.1 CSCCOc1ccc(cc1)Cl 7a_100000210216_100000212216 [0,2,0,0,0,0|0,0,2]=4 4367 B12R1.1 CSCCOc1ccc(cc1)F 34a_100000210339_100000212216 [0,2,0,0,0,0|0,0,2]=4 4368 B12R1.1 CSCCOc1ccc(cc1)F 62a_100000184936_200000210301 [0,2,0,0,0,0|0,0,2]=4 4369 B12R1.1 CSCCOc1ccc(cc1)F 62a_200000210301_100000184936 [0,2,0,0,0,0|0,0,2]=4 4370 B12R1.1 CSCCOc1ccc(cc1)I 34a_100000212066_100000212216 [0,2,0,0,0,0|0,0,2]=4 4371 B12R1.1 CSCCOc1ccc(cc1)I 7a_100000212066_100000212216 [0,2,0,0,0,0|0,0,2]=4 4372 B12R1.1 CSCCOc1ccc(cc1)N 34a_100000185829_100000212216 [0,2,0,0,0,0|0,0,2]=4 4373 B12R1.1 CSCOCc1ccc(cc1)Br 34a_100000695286_100011218213 [0,2,0,0,0,0|1,0,1]=4 4374 B12R1.1 CSCOCc1ccc(cc1)C 34a_100011215236_100011218213 [0,2,0,0,0,0|1,0,1]=4 4375 B12R1.1 CSCOCc1ccc(cc1)Cl 34a_100000211118_100011218213 [0,2,0,0,0,0|1,0,1]=4 4376 B12R1.1 CSCOCc1ccc(cc1)F 34a_100000210977_100011218213 [0,2,0,0,0,0|1,0,1]=4 4377 B12R1.1 CSCOCc1ccc(cc1)I 34a_100000690907_100011218213 [0,2,0,0,0,0|1,0,1]=4 4378 B12R1.1 CSCOCc1ccc(cc1)N 34a_100011215238_100011218213 [0,2,0,0,0,0|1,0,1]=4 4379 B12R1.1 C[n+]1ccc(cc1)COCC=O 34a_100009831711_200009817547 [0,2,0,0,0,0|2,0,0]=4 4380 B12R1.1 Cc1ccc(cc1)CNCC=O 2230a_100000174908_200015260668 [0,2,0,0,0,0|2,0,0]=4 4381 B12R1.1 Cc1ccc(cc1)CNCC=O 34a_100000174908_200009817547 [0,2,0,0,0,0|2,0,0]=4 4382 B12R1.1 Cc1ccc(cc1)COCC#N 7a_100011215236_100011215382 [0,2,0,0,0,0|1,0,1]=4 4383 B12R1.1 Cc1ccc(cc1)COCC=O 34a_100011215236_200009817547 [0,2,0,0,0,0|1,0,0]=3 4384 B12R1.1 Cc1ccc(cc1)COCC=O 7a_100011215236_200015260668 [0,2,0,0,0,0|1,0,0]=3 4385 B12R1.1 Cc1ccc(cc1)COCCBr 34a_100000211926_100000210814 [0,2,0,0,0,0|1,0,1]=4 4386 B12R1.1 Cc1ccc(cc1)COCCF 34a_100011215236_100011217306 [0,2,0,0,0,0|1,0,1]=4 4387 B12R1.1 Cc1ccc(cc1)COCCF 7a_100011215236_100011217306 [0,2,0,0,0,0|1,0,1]=4 4388 B12R1.1 Cc1ccc(cc1)COCCN 34a_100000210304_100000210814 [0,2,0,0,0,0|1,0,1]=4 4389 B12R1.1 Cc1ccc(cc1)COCCO 34a_100011215236_100000211926 [0,2,0,0,0,0|1,0,1]=4 4390 B12R1.1 Cc1ccc(cc1)COCCO 7a_100011215236_100000211926 [0,2,0,0,0,0|1,0,1]=4 4391 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_100000210814_200015260668 [0,2,0,0,0,0|1,1,0]=4 4392 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_200015260668_100000210814 [0,2,0,0,0,0|1,1,0]=4 4393 B12R1.1 Cc1ccc(cc1)OCCC#N 7a_100000210336_100000184422 [0,2,0,0,0,0|0,0,2]=4 4394 B12R1.1 Cc1ccc(cc1)OCCCF 34a_100000210336_100011934791 [0,2,0,0,0,0|0,0,2]=4 4395 B12R1.1 Cc1ccc(cc1)OCCCF 7a_100000210336_100011934791 [0,2,0,0,0,0|0,0,2]=4 4396 B12R1.1 Cc1ccc(cc1)OCCCO 34a_100000210336_100000230001 [0,2,0,0,0,0|0,0,2]=4 4397 B12R1.1 Cc1ccc(cc1)OCCCO 7a_100000210336_100011215043 [0,2,0,0,0,0|0,0,2]=4 4398 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 2230a_100020666663_200025704644 [0,2,0,0,0,0|0,0,2]=4 4399 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 34a_100020666663_200025704644 [0,2,0,0,0,0|0,0,2]=4 4400 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 34a_100011219107_200025704644 [0,2,0,0,0,0|0,0,2]=4 4401 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 7a_100011219107_200025704644 [0,2,0,0,0,0|0,0,2]=4 4402 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_100000183172_200025704644 [0,2,0,0,0,0|0,0,2]=4 4403 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_200025704644_100000183172 [0,2,0,0,0,0|0,0,2]=4 4404 B12R1.1 Cc1ccc(cn1)COCC=O 34a_100011248133_200009817547 [0,2,0,0,0,0|2,0,0]=4 4405 B12R1.1 Cc1ccc(nc1)COCC=O 34a_100012001401_200009817547 [0,2,0,0,0,0|2,0,0]=4 4406 B12R1.1 Clc1ccc(cc1)COCCBr 34a_100000211926_100000694040 [0,2,0,0,0,0|1,0,1]=4 4407 B12R1.1 FCCCOc1ccc(cc1)Br 34a_100000185759_100011934791 [0,2,0,0,0,0|0,0,2]=4 4408 B12R1.1 FCCCOc1ccc(cc1)Br 7a_100000185759_100011934791 [0,2,0,0,0,0|0,0,2]=4 4409 B12R1.1 FCCCOc1ccc(cc1)Cl 34a_100000210216_100011934791 [0,2,0,0,0,0|0,0,2]=4 4410 B12R1.1 FCCCOc1ccc(cc1)Cl 7a_100000210216_100011934791 [0,2,0,0,0,0|0,0,2]=4 4411 B12R1.1 FCCCOc1ccc(cc1)F 34a_100000210339_100011934791 [0,2,0,0,0,0|0,0,2]=4 4412 B12R1.1 FCCCOc1ccc(cc1)I 34a_100000212066_100011934791 [0,2,0,0,0,0|0,0,2]=4 4413 B12R1.1 FCCCOc1ccc(cc1)I 7a_100000212066_100011934791 [0,2,0,0,0,0|0,0,2]=4 4414 B12R1.1 FCCOCc1ccc(cc1)Br 34a_100000695286_100011217306 [0,2,0,0,0,0|1,0,1]=4 4415 B12R1.1 FCCOCc1ccc(cc1)Cl 34a_100000211118_100011217306 [0,2,0,0,0,0|1,0,1]=4 4416 B12R1.1 FCCOCc1ccc(cc1)Cl 7a_100000211118_100011217306 [0,2,0,0,0,0|1,0,1]=4 4417 B12R1.1 FCCOCc1ccc(cc1)F 34a_100000210977_100011217306 [0,2,0,0,0,0|1,0,1]=4 4418 B12R1.1 FCCOCc1ccc(cc1)F 7a_100000210977_100011217306 [0,2,0,0,0,0|1,0,1]=4 4419 B12R1.1 FCCOCc1ccc(cc1)I 34a_100000690907_100011217306 [0,2,0,0,0,0|1,0,1]=4 4420 B12R1.1 FCCOCc1ccc(cc1)I 7a_100000690907_100011217306 [0,2,0,0,0,0|1,0,1]=4 4421 B12R1.1 Fc1ccc(cc1)COCCBr 34a_100000211926_100000198546 [0,2,0,0,0,0|1,0,1]=4 4422 B12R1.1 N#CCCOc1ccc(cc1)Br 7a_100000185759_100000184422 [0,2,0,0,0,0|0,0,2]=4 4423 B12R1.1 N#CCCOc1ccc(cc1)Cl 7a_100000210216_100000184422 [0,2,0,0,0,0|0,0,2]=4 4424 B12R1.1 N#CCCOc1ccc(cc1)I 7a_100000212066_100000184422 [0,2,0,0,0,0|0,0,2]=4 4425 B12R1.1 N#CCCOc1ccc(cc1)O 271570a_203496583355_100000172056 [0,2,0,0,0,0|0,0,2]=4 4426 B12R1.1 N#CCOCc1ccc(cc1)Cl 7a_100000211118_100011215382 [0,2,0,0,0,0|1,0,1]=4 4427 B12R1.1 N#CCOCc1ccc(cc1)F 7a_100000210977_100011215382 [0,2,0,0,0,0|1,0,1]=4 4428 B12R1.1 N#CCOCc1ccc(cc1)I 7a_100000690907_100011215382 [0,2,0,0,0,0|1,0,1]=4 4429 B12R1.1 NCCOCc1ccc(cc1)Br 34a_100000210304_100000189115 [0,2,0,0,0,0|1,0,1]=4 4430 B12R1.1 NCCOCc1ccc(cc1)Cl 34a_100000210304_100000694040 [0,2,0,0,0,0|1,0,1]=4 4431 B12R1.1 NCCOCc1ccc(cc1)F 34a_100000210304_100000198546 [0,2,0,0,0,0|1,0,1]=4 4432 B12R1.1 NCCOCc1ccc(cc1)I 34a_100000210304_100000189116 [0,2,0,0,0,0|1,0,1]=4 4433 B12R1.1 Nc1ccc(cc1)COCC=O 34a_100011215238_200009817547 [0,2,0,0,0,0|1,0,0]=3 4434 B12R1.1 Nc1ccc(cc1)COCCF 34a_100011215238_100011217306 [0,2,0,0,0,0|1,0,1]=4 4435 B12R1.1 Nc1ccc(cc1)COCCO 34a_100011215238_100000211926 [0,2,0,0,0,0|1,0,1]=4 4436 B12R1.1 Nc1ccc(cc1)OCCCF 34a_100000185829_100011934791 [0,2,0,0,0,0|0,0,2]=4 4437 B12R1.1 Nc1ccc(cc1)OCCCO 34a_100000185829_100000230001 [0,2,0,0,0,0|0,0,2]=4 4438 B12R1.1 Nc1ccc(cn1)COCC=O 34a_100000704267_200009817547 [0,2,0,0,0,0|2,0,0]=4 4439 B12R1.1 Nc1ccc(nc1)COCC=O 34a_100011998161_200009817547 [0,2,0,0,0,0|2,0,0]=4 4440 B12R1.1 O=CCNCc1ccc(cc1)Br 2230a_100000174875_200015260668 [0,2,0,0,0,0|2,0,0]=4 4441 B12R1.1 O=CCNCc1ccc(cc1)Br 34a_100000174875_200009817547 [0,2,0,0,0,0|2,0,0]=4 4442 B12R1.1 O=CCNCc1ccc(cc1)Cl 2230a_100000174871_200015260668 [0,2,0,0,0,0|2,0,0]=4 4443 B12R1.1 O=CCNCc1ccc(cc1)Cl 34a_100000174871_200009817547 [0,2,0,0,0,0|2,0,0]=4 4444 B12R1.1 O=CCNCc1ccc(cc1)F 2230a_100000174882_200015260668 [0,2,0,0,0,0|2,0,0]=4 4445 B12R1.1 O=CCNCc1ccc(cc1)F 34a_100000174882_200009817547 [0,2,0,0,0,0|2,0,0]=4 4446 B12R1.1 O=CCNCc1ccc(cc1)I 2230a_100016989417_200015260668 [0,2,0,0,0,0|2,0,0]=4 4447 B12R1.1 O=CCNCc1ccc(cc1)I 34a_100016989417_200009817547 [0,2,0,0,0,0|2,0,0]=4 4448 B12R1.1 O=CCNCc1ccc(cc1)O 34a_100000185549_200009817547 [0,2,0,0,0,0|2,0,0]=4 4449 B12R1.1 O=CCOCc1cc[n+](cc1)[O-] 34a_100000031831_200009817547 [0,2,0,0,0,0|2,0,0]=4 4450 B12R1.1 O=CCOCc1cc[n+](cc1)[O-] 7a_100000031831_200015260668 [0,2,0,0,0,0|2,0,0]=4 4451 B12R1.1 O=CCOCc1ccc(=O)[nH]c1 34a_100011999846_200009817547 [0,2,0,0,0,0|2,0,0]=4 4452 B12R1.1 O=CCOCc1ccc(cc1)Br 34a_100000695286_200009817547 [0,2,0,0,0,0|1,0,0]=3 4453 B12R1.1 O=CCOCc1ccc(cc1)Cl 34a_100000211118_200009817547 [0,2,0,0,0,0|1,0,0]=3 4454 B12R1.1 O=CCOCc1ccc(cc1)Cl 7a_100000211118_200015260668 [0,2,0,0,0,0|1,0,0]=3 4455 B12R1.1 O=CCOCc1ccc(cc1)F 34a_100000210977_200009817547 [0,2,0,0,0,0|1,0,0]=3 4456 B12R1.1 O=CCOCc1ccc(cc1)F 7a_100000210977_200015260668 [0,2,0,0,0,0|1,0,0]=3 4457 B12R1.1 O=CCOCc1ccc(cc1)I 34a_100000690907_200009817547 [0,2,0,0,0,0|1,0,0]=3 4458 B12R1.1 O=CCOCc1ccc(cc1)I 7a_100000690907_200015260668 [0,2,0,0,0,0|1,0,0]=3 4459 B12R1.1 O=CCOCc1ccc(cn1)Br 34a_100000754261_200009817547 [0,2,0,0,0,0|2,0,0]=4 4460 B12R1.1 O=CCOCc1ccc(cn1)Cl 34a_100000703999_200009817547 [0,2,0,0,0,0|2,0,0]=4 4461 B12R1.1 O=CCOCc1ccc(cn1)F 34a_100011999454_200009817547 [0,2,0,0,0,0|2,0,0]=4 4462 B12R1.1 O=CCOCc1ccc(nc1)Br 34a_100009816760_200009817547 [0,2,0,0,0,0|2,0,0]=4 4463 B12R1.1 O=CCOCc1ccc(nc1)Br 7a_100009816760_200015260668 [0,2,0,0,0,0|2,0,0]=4 4464 B12R1.1 O=CCOCc1ccc(nc1)Cl 34a_100000755211_200009817547 [0,2,0,0,0,0|2,0,0]=4 4465 B12R1.1 O=CCOCc1ccc(nc1)Cl 7a_100000755211_200015260668 [0,2,0,0,0,0|2,0,0]=4 4466 B12R1.1 O=CCOCc1ccc(nc1)F 34a_100000079959_200009817547 [0,2,0,0,0,0|2,0,0]=4 4467 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_100000189115_200015260668 [0,2,0,0,0,0|1,1,0]=4 4468 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_200015260668_100000189115 [0,2,0,0,0,0|1,1,0]=4 4469 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_100000187161_200015260668 [0,2,0,0,0,0|1,1,0]=4 4470 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_200015260668_100000187161 [0,2,0,0,0,0|1,1,0]=4 4471 B12R1.1 O=CCSCc1ccc(cc1)F 62a_100000198546_200015260668 [0,2,0,0,0,0|1,1,0]=4 4472 B12R1.1 O=CCSCc1ccc(cc1)F 62a_200015260668_100000187164 [0,2,0,0,0,0|1,1,0]=4 4473 B12R1.1 O=CCSCc1ccc(cc1)I 62a_100000189116_200015260668 [0,2,0,0,0,0|1,1,0]=4 4474 B12R1.1 O=CCSCc1ccc(cc1)I 62a_200015260668_100000189116 [0,2,0,0,0,0|1,1,0]=4 4475 B12R1.1 O=CNCCc1ccc(cc1)O 271570a_203496583355_200012351260 [0,2,0,0,0,0|2,0,0]=4 4476 B12R1.1 OCCCOc1ccc(cc1)Br 34a_100000185759_100000230001 [0,2,0,0,0,0|0,0,2]=4 4477 B12R1.1 OCCCOc1ccc(cc1)Br 7a_100000185759_100011215043 [0,2,0,0,0,0|0,0,2]=4 4478 B12R1.1 OCCCOc1ccc(cc1)Cl 34a_100000210216_100000230001 [0,2,0,0,0,0|0,0,2]=4 4479 B12R1.1 OCCCOc1ccc(cc1)Cl 7a_100000210216_100011215043 [0,2,0,0,0,0|0,0,2]=4 4480 B12R1.1 OCCCOc1ccc(cc1)F 34a_100000210339_100000230001 [0,2,0,0,0,0|0,0,2]=4 4481 B12R1.1 OCCCOc1ccc(cc1)I 34a_100000212066_100000230001 [0,2,0,0,0,0|0,0,2]=4 4482 B12R1.1 OCCCOc1ccc(cc1)I 7a_100000212066_100011215043 [0,2,0,0,0,0|0,0,2]=4 4483 B12R1.1 OCCCOc1ccc(cc1)O 271570a_203496583355_100000756186 [0,2,0,0,0,0|0,0,2]=4 4484 B12R1.1 OCCOCc1ccc(cc1)Br 34a_100000695286_100000211926 [0,2,0,0,0,0|1,0,1]=4 4485 B12R1.1 OCCOCc1ccc(cc1)Cl 34a_100000211118_100000211926 [0,2,0,0,0,0|1,0,1]=4 4486 B12R1.1 OCCOCc1ccc(cc1)Cl 7a_100000211118_100000211926 [0,2,0,0,0,0|1,0,1]=4 4487 B12R1.1 OCCOCc1ccc(cc1)F 34a_100000210977_100000211926 [0,2,0,0,0,0|1,0,1]=4 4488 B12R1.1 OCCOCc1ccc(cc1)F 7a_100000210977_100000211926 [0,2,0,0,0,0|1,0,1]=4 4489 B12R1.1 OCCOCc1ccc(cc1)I 34a_100000690907_100000211926 [0,2,0,0,0,0|1,0,1]=4 4490 B12R1.1 OCCOCc1ccc(cc1)I 7a_100000690907_100000211926 [0,2,0,0,0,0|1,0,1]=4 4491 B12R1.1 [13CH3]NCCOc1ccc(cc1)Br 2230a_100000746992_200025704644 [0,2,0,0,0,0|0,0,2]=4 4492 B12R1.1 [13CH3]NCCOc1ccc(cc1)Br 34a_100000746992_200025704644 [0,2,0,0,0,0|0,0,2]=4 4493 B12R1.1 [13CH3]NCCOc1ccc(cc1)Cl 2230a_100000697975_200025704644 [0,2,0,0,0,0|0,0,2]=4 4494 B12R1.1 [13CH3]NCCOc1ccc(cc1)Cl 34a_100000697975_200025704644 [0,2,0,0,0,0|0,0,2]=4 4495 B12R1.1 [13CH3]NCCOc1ccc(cc1)F 2230a_100000737420_200025704644 [0,2,0,0,0,0|0,0,2]=4 4496 B12R1.1 [13CH3]NCCOc1ccc(cc1)F 34a_100000737420_200025704644 [0,2,0,0,0,0|0,0,2]=4 4497 B12R1.1 [13CH3]OCCOc1ccc(cc1)Br 34a_100000686261_200025704644 [0,2,0,0,0,0|0,0,2]=4 4498 B12R1.1 [13CH3]OCCOc1ccc(cc1)Br 7a_100000686261_200025704644 [0,2,0,0,0,0|0,0,2]=4 4499 B12R1.1 [13CH3]OCCOc1ccc(cc1)Cl 34a_100000237962_200025704644 [0,2,0,0,0,0|0,0,2]=4 4500 B12R1.1 [13CH3]OCCOc1ccc(cc1)Cl 7a_100000237962_200025704644 [0,2,0,0,0,0|0,0,2]=4 4501 B12R1.1 [13CH3]OCCOc1ccc(cc1)N 34a_100000754363_200025704644 [0,2,0,0,0,0|0,0,2]=4 4502 B12R1.1 [13CH3]SCCOc1ccc(cc1)Br 62a_100000183278_200025704644 [0,2,0,0,0,0|0,0,2]=4 4503 B12R1.1 [13CH3]SCCOc1ccc(cc1)Br 62a_200025704644_100000183278 [0,2,0,0,0,0|0,0,2]=4 4504 B12R1.1 [13CH3]SCCOc1ccc(cc1)Cl 62a_100000184122_200025704644 [0,2,0,0,0,0|0,0,2]=4 4505 B12R1.1 [13CH3]SCCOc1ccc(cc1)Cl 62a_200025704644_100000184122 [0,2,0,0,0,0|0,0,2]=4 4506 B12R1.1 [13CH3]SCCOc1ccc(cc1)F 62a_100000184936_200025704644 [0,2,0,0,0,0|0,0,2]=4 4507 B12R1.1 [13CH3]SCCOc1ccc(cc1)F 62a_200025704644_100000184936 [0,2,0,0,0,0|0,0,2]=4 4508 B12R1.16 C=CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210623 [0,2,0,0,0,0|1,0,0]=3 4509 B12R1.16 C=CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210623 [0,2,0,0,0,0|1,0,0]=3 4510 B12R1.16 C=CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210623 [0,2,0,0,0,0|1,0,0]=3 4511 B12R1.16 C=CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210623 [0,2,0,0,0,0|1,0,0]=3 4512 B12R1.16 C=CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210623 [0,2,0,0,0,0|1,0,0]=3 4513 B12R1.16 C=CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210623 [0,2,0,0,0,0|1,0,0]=3 4514 B12R1.16 C=CCC(O)c1ccc(cc1)O 271570a_203496583355_100011466436 [0,2,0,0,0,0|1,0,0]=3 4515 B12R1.16 C=CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210623 [0,2,0,0,0,0|1,0,0]=3 4516 B12R1.16 C=CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000210623 [0,2,0,0,0,0|1,0,0]=3 4517 B12R1.16 C=CCN(C)c1ccc(cc1)Br 34a_100000219623_100015514636 [0,2,0,0,0,0|1,0,0]=3 4518 B12R1.16 C=CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210623 [0,2,0,0,0,0|1,0,0]=3 4519 B12R1.16 C=CCN(C)c1ccc(cc1)C 269982a_100000219977_100000210623 [0,2,0,0,0,0|1,0,0]=3 4520 B12R1.16 C=CCN(C)c1ccc(cc1)C 34a_100000219977_100015514636 [0,2,0,0,0,0|1,0,0]=3 4521 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210623 [0,2,0,0,0,0|1,0,0]=3 4522 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210623 [0,2,0,0,0,0|1,0,0]=3 4523 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 34a_100020629279_100015514636 [0,2,0,0,0,0|1,0,0]=3 4524 B12R1.16 C=CCN(C)c1ccc(cc1)F 2230a_100000219829_100000210623 [0,2,0,0,0,0|1,0,0]=3 4525 B12R1.16 C=CCN(C)c1ccc(cc1)F 269982a_100000219829_100000210623 [0,2,0,0,0,0|1,0,0]=3 4526 B12R1.16 C=CCN(C)c1ccc(cc1)F 34a_100000219829_100015514636 [0,2,0,0,0,0|1,0,0]=3 4527 B12R1.16 C=CCN(C)c1ccc(cc1)I 2230a_100000743151_100000210623 [0,2,0,0,0,0|1,0,0]=3 4528 B12R1.16 C=CCN(C)c1ccc(cc1)I 269982a_100000743151_100000210623 [0,2,0,0,0,0|1,0,0]=3 4529 B12R1.16 C=CCN(C)c1ccc(cc1)I 34a_100000743151_100015514636 [0,2,0,0,0,0|1,0,0]=3 4530 B12R1.16 C=CCN(C)c1ccc(cc1)O 269982a_100000182112_100000210623 [0,2,0,0,0,0|1,0,0]=3 4531 B12R1.16 C=CCN(C)c1ccc(cc1)O 34a_100000182112_100015514636 [0,2,0,0,0,0|1,0,0]=3 4532 B12R1.16 CN(CC=O)c1ccc(cc1)Br 2230a_100000219623_200015260668 [0,2,0,0,0,0|2,0,0]=4 4533 B12R1.16 CN(CC=O)c1ccc(cc1)Br 269982a_100000219623_200015260668 [0,2,0,0,0,0|2,0,0]=4 4534 B12R1.16 CN(CC=O)c1ccc(cc1)Br 34a_100000219623_200009817547 [0,2,0,0,0,0|2,0,0]=4 4535 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 2230a_100020629279_200015260668 [0,2,0,0,0,0|2,0,0]=4 4536 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 269982a_100020629279_200015260668 [0,2,0,0,0,0|2,0,0]=4 4537 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 34a_100020629279_200009817547 [0,2,0,0,0,0|2,0,0]=4 4538 B12R1.16 CN(CC=O)c1ccc(cc1)F 2230a_100000219829_200015260668 [0,2,0,0,0,0|2,0,0]=4 4539 B12R1.16 CN(CC=O)c1ccc(cc1)F 269982a_100000219829_200015260668 [0,2,0,0,0,0|2,0,0]=4 4540 B12R1.16 CN(CC=O)c1ccc(cc1)F 34a_100000219829_200009817547 [0,2,0,0,0,0|2,0,0]=4 4541 B12R1.16 CN(CC=O)c1ccc(cc1)I 2230a_100000743151_200015260668 [0,2,0,0,0,0|2,0,0]=4 4542 B12R1.16 CN(CC=O)c1ccc(cc1)I 269982a_100000743151_200015260668 [0,2,0,0,0,0|2,0,0]=4 4543 B12R1.16 CN(CC=O)c1ccc(cc1)I 34a_100000743151_200009817547 [0,2,0,0,0,0|2,0,0]=4 4544 B12R1.16 CN(CC=O)c1ccc(cc1)O 269982a_100000182112_200015260668 [0,2,0,0,0,0|2,0,0]=4 4545 B12R1.16 CN(CC=O)c1ccc(cc1)O 34a_100000182112_200009817547 [0,2,0,0,0,0|2,0,0]=4 4546 B12R1.16 Cc1ccc(cc1)N(C)CC=O 2230a_100000219977_200015260668 [0,2,0,0,0,0|2,0,0]=4 4547 B12R1.16 Cc1ccc(cc1)N(C)CC=O 269982a_100000219977_200015260668 [0,2,0,0,0,0|2,0,0]=4 4548 B12R1.16 Cc1ccc(cc1)N(C)CC=O 34a_100000219977_200009817547 [0,2,0,0,0,0|2,0,0]=4 4549 B12R1.21 C=C(C)CNc1ccc(cc1)Br 2230a_100000210018_100000748629 [0,2,0,0,0,0|1,0,0]=3 4550 B12R1.21 C=C(C)CNc1ccc(cc1)Br 34a_100000210018_100000748629 [0,2,0,0,0,0|1,0,0]=3 4551 B12R1.21 C=C(C)CNc1ccc(cc1)C 34a_100000124888_100000748629 [0,2,0,0,0,0|1,0,0]=3 4552 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000748629 [0,2,0,0,0,0|1,0,0]=3 4553 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 34a_100000210052_100000748629 [0,2,0,0,0,0|1,0,0]=3 4554 B12R1.21 C=C(C)CNc1ccc(cc1)F 34a_100000185862_100000748629 [0,2,0,0,0,0|1,0,0]=3 4555 B12R1.21 C=C(C)CNc1ccc(cc1)I 34a_100000185761_100000748629 [0,2,0,0,0,0|1,0,0]=3 4556 B12R1.21 C=C(C)CNc1ccc(cc1)O 34a_100000185829_100000748629 [0,2,0,0,0,0|1,0,0]=3 4557 B12R1.21 C=C(C)CNc1ccc(cn1)Br 27a_100000765925_100000686858 [0,2,0,0,0,0|2,0,0]=4 4558 B12R1.21 C=C(C)COc1ccc(=O)[nH]c1 34a_100000075641_100000748629 [0,2,0,0,0,0|1,0,0]=3 4559 B12R1.21 C=C(C)COc1ccc(cc1)Br 34a_100000185759_100000748629 [0,2,0,0,0,0|0,0,0]=2 4560 B12R1.21 C=C(C)COc1ccc(cc1)Br 7a_100000185759_100000748629 [0,2,0,0,0,0|0,0,0]=2 4561 B12R1.21 C=C(C)COc1ccc(cc1)C 34a_100000210336_100000748629 [0,2,0,0,0,0|0,0,0]=2 4562 B12R1.21 C=C(C)COc1ccc(cc1)C 7a_100000210336_100000748629 [0,2,0,0,0,0|0,0,0]=2 4563 B12R1.21 C=C(C)COc1ccc(cc1)Cl 34a_100000210216_100000748629 [0,2,0,0,0,0|0,0,0]=2 4564 B12R1.21 C=C(C)COc1ccc(cc1)Cl 7a_100000210216_100000748629 [0,2,0,0,0,0|0,0,0]=2 4565 B12R1.21 C=C(C)COc1ccc(cc1)F 34a_100000210339_100000748629 [0,2,0,0,0,0|0,0,0]=2 4566 B12R1.21 C=C(C)COc1ccc(cc1)I 34a_100000212066_100000748629 [0,2,0,0,0,0|0,0,0]=2 4567 B12R1.21 C=C(C)COc1ccc(cc1)I 7a_100000212066_100000748629 [0,2,0,0,0,0|0,0,0]=2 4568 B12R1.21 C=C(C)COc1ccc(cc1)N 34a_100000185829_100000748629 [0,2,0,0,0,0|0,0,0]=2 4569 B12R1.21 C=C(C)COc1ccc(cn1)C 34a_100000759353_100000748629 [0,2,0,0,0,0|1,0,0]=3 4570 B12R1.21 C=C(C)COc1ccc(cn1)Cl 34a_100011215309_100000748629 [0,2,0,0,0,0|1,0,0]=3 4571 B12R1.21 C=C(C)COc1ccc(cn1)F 34a_100000742473_100000748629 [0,2,0,0,0,0|1,0,0]=3 4572 B12R1.21 C=C(C)COc1ccc(cn1)N 34a_100000729260_100000748629 [0,2,0,0,0,0|1,0,0]=3 4573 B12R1.21 C=C(C)COc1ccc(nc1)Br 34a_100000685995_100000748629 [0,2,0,0,0,0|1,0,0]=3 4574 B12R1.21 C=C(C)COc1ccc(nc1)Br 7a_100000685995_100000748629 [0,2,0,0,0,0|1,0,0]=3 4575 B12R1.21 C=C(C)COc1ccc(nc1)C 34a_100000745506_100000748629 [0,2,0,0,0,0|1,0,0]=3 4576 B12R1.21 C=C(C)COc1ccc(nc1)C 7a_100000745506_100000748629 [0,2,0,0,0,0|1,0,0]=3 4577 B12R1.21 C=C(C)COc1ccc(nc1)Cl 34a_100000744096_100000748629 [0,2,0,0,0,0|1,0,0]=3 4578 B12R1.21 C=C(C)COc1ccc(nc1)Cl 7a_100000744096_100000748629 [0,2,0,0,0,0|1,0,0]=3 4579 B12R1.21 C=C(C)COc1ccc(nc1)F 34a_100000688820_100000748629 [0,2,0,0,0,0|1,0,0]=3 4580 B12R1.21 C=C(C)COc1ccc(nc1)F 7a_100000688820_100000748629 [0,2,0,0,0,0|1,0,0]=3 4581 B12R1.21 C=C(C)COc1ccc(nc1)I 34a_100000687607_100000748629 [0,2,0,0,0,0|1,0,0]=3 4582 B12R1.21 C=C(C)COc1ccc(nc1)I 7a_100000687607_100000748629 [0,2,0,0,0,0|1,0,0]=3 4583 B12R1.21 C=C(C)COc1ccc(nc1)N 34a_100015188713_100000748629 [0,2,0,0,0,0|1,0,0]=3 4584 B12R1.21 C=C(C)COc1ccc(nc1)N 7a_100015188713_100000748629 [0,2,0,0,0,0|1,0,0]=3 4585 B12R1.21 C=C(C)COc1cnc(cn1)Br 34a_100011934580_100000748629 [0,2,0,0,0,0|2,0,0]=4 4586 B12R1.21 C=C(C)COc1cnc(cn1)Cl 34a_100015839800_100000748629 [0,2,0,0,0,0|2,0,0]=4 4587 B12R1.21 C=C(C)COc1cnc(nc1)Br 34a_100000730009_100000748629 [0,2,0,0,0,0|2,0,0]=4 4588 B12R1.21 C=C(C)COc1cnc(nc1)Br 7a_100000730009_100000748629 [0,2,0,0,0,0|2,0,0]=4 4589 B12R1.21 C=C(C)COc1cnc(nc1)C 34a_100000062939_100000748629 [0,2,0,0,0,0|2,0,0]=4 4590 B12R1.21 C=C(C)COc1cnc(nc1)C 7a_100000062939_100000748629 [0,2,0,0,0,0|2,0,0]=4 4591 B12R1.21 C=C(C)COc1cnc(nc1)Cl 34a_100000092845_100000748629 [0,2,0,0,0,0|2,0,0]=4 4592 B12R1.21 C=C(C)COc1cnc(nc1)Cl 7a_100000092845_100000748629 [0,2,0,0,0,0|2,0,0]=4 4593 B12R1.21 C=C(C)COc1cnc(nc1)F 34a_200009874573_100000748629 [0,2,0,0,0,0|2,0,0]=4 4594 B12R1.21 C=C(C)COc1cnc(nc1)F 7a_200009874573_100000748629 [0,2,0,0,0,0|2,0,0]=4 4595 B12R1.21 C=C(C)COc1cnc(nc1)N 34a_100000087137_100000748629 [0,2,0,0,0,0|2,0,0]=4 4596 B12R1.21 C=C(C)COc1cnc(nc1)N 7a_100000087137_100000748629 [0,2,0,0,0,0|2,0,0]=4 4597 B12R1.21 C=C(C)COc1ncc(cn1)F 34a_100011934040_100000748629 [0,2,0,0,0,0|2,0,0]=4 4598 B12R1.21 C=C(C)CSc1cc[n+](cc1)[O-] 62a_100000748629_100000039755 [0,2,0,0,0,0|1,1,0]=4 4599 B12R1.21 C=C(C)CSc1ccc(=O)[nH]c1 62a_100000212171_100000211660 [0,2,0,0,0,0|1,1,0]=4 4600 B12R1.21 C=C(C)CSc1ccc(=O)[nH]c1 62a_100000748629_100000212171 [0,2,0,0,0,0|1,1,0]=4 4601 B12R1.21 C=C(C)CSc1ccc(cc1)Br 62a_100000748629_100000752885 [0,2,0,0,0,0|0,1,0]=3 4602 B12R1.21 C=C(C)CSc1ccc(cc1)Br 62a_100000752885_100000211660 [0,2,0,0,0,0|0,1,0]=3 4603 B12R1.21 C=C(C)CSc1ccc(cc1)C 62a_100000186775_100000211660 [0,2,0,0,0,0|0,1,0]=3 4604 B12R1.21 C=C(C)CSc1ccc(cc1)C 62a_100000748629_100000186775 [0,2,0,0,0,0|0,1,0]=3 4605 B12R1.21 C=C(C)CSc1ccc(cc1)Cl 62a_100000748629_100000755918 [0,2,0,0,0,0|0,1,0]=3 4606 B12R1.21 C=C(C)CSc1ccc(cc1)Cl 62a_100000755918_100000211660 [0,2,0,0,0,0|0,1,0]=3 4607 B12R1.21 C=C(C)CSc1ccc(cc1)F 62a_100000211213_100000211660 [0,2,0,0,0,0|0,1,0]=3 4608 B12R1.21 C=C(C)CSc1ccc(cc1)F 62a_100000748629_100000211213 [0,2,0,0,0,0|0,1,0]=3 4609 B12R1.21 C=C(C)CSc1ccc(cc1)N 62a_100000185761_100000211660 [0,2,0,0,0,0|0,1,0]=3 4610 B12R1.21 C=C(C)CSc1ccc(cc1)N 62a_100000748629_100000185761 [0,2,0,0,0,0|0,1,0]=3 4611 B12R1.21 C=C(C)CSc1ccc(cc1)O 62a_100000748629_100000185759 [0,2,0,0,0,0|0,1,0]=3 4612 B12R1.21 C=C(C)CSc1ccc(cn1)Br 62a_100000686858_100000211660 [0,2,0,0,0,0|1,1,0]=4 4613 B12R1.21 C=C(C)CSc1ccc(cn1)Br 62a_100000748629_100000686858 [0,2,0,0,0,0|1,1,0]=4 4614 B12R1.21 C=C(C)CSc1ccc(cn1)C 62a_100000748629_100000754016 [0,2,0,0,0,0|1,1,0]=4 4615 B12R1.21 C=C(C)CSc1ccc(cn1)C 62a_100011192072_100000211660 [0,2,0,0,0,0|1,1,0]=4 4616 B12R1.21 C=C(C)CSc1ccc(cn1)Cl 62a_100000748629_100011356976 [0,2,0,0,0,0|1,1,0]=4 4617 B12R1.21 C=C(C)CSc1ccc(cn1)Cl 62a_100011356976_100000211660 [0,2,0,0,0,0|1,1,0]=4 4618 B12R1.21 C=C(C)CSc1ccc(cn1)F 62a_100000744514_100000211660 [0,2,0,0,0,0|1,1,0]=4 4619 B12R1.21 C=C(C)CSc1ccc(cn1)F 62a_100000748629_100000744514 [0,2,0,0,0,0|1,1,0]=4 4620 B12R1.21 C=C(C)CSc1ccc(cn1)N 62a_100000737798_100000211660 [0,2,0,0,0,0|1,1,0]=4 4621 B12R1.21 C=C(C)CSc1ccc(cn1)N 62a_100000748629_100000737798 [0,2,0,0,0,0|1,1,0]=4 4622 B12R1.21 C=C(C)CSc1ccc(cn1)O 62a_100000685995_100000211660 [0,2,0,0,0,0|1,1,0]=4 4623 B12R1.21 C=C(C)CSc1ccc(cn1)O 62a_100000748629_100000744096 [0,2,0,0,0,0|1,1,0]=4 4624 B12R1.21 C=C(C)CSc1ccc(nc1)Br 62a_100000748629_100009814638 [0,2,0,0,0,0|1,1,0]=4 4625 B12R1.21 C=C(C)CSc1ccc(nc1)Br 62a_100009814638_100000211660 [0,2,0,0,0,0|1,1,0]=4 4626 B12R1.21 C=C(C)CSc1ccc(nc1)C 62a_100000748629_100000751577 [0,2,0,0,0,0|1,1,0]=4 4627 B12R1.21 C=C(C)CSc1ccc(nc1)C 62a_100000751577_100000211660 [0,2,0,0,0,0|1,1,0]=4 4628 B12R1.21 C=C(C)CSc1ccc(nc1)Cl 62a_100000034144_100000211660 [0,2,0,0,0,0|1,1,0]=4 4629 B12R1.21 C=C(C)CSc1ccc(nc1)Cl 62a_100000748629_100000034144 [0,2,0,0,0,0|1,1,0]=4 4630 B12R1.21 C=C(C)CSc1ccc(nc1)F 62a_100000042367_100000211660 [0,2,0,0,0,0|1,1,0]=4 4631 B12R1.21 C=C(C)CSc1ccc(nc1)F 62a_100000748629_100000042367 [0,2,0,0,0,0|1,1,0]=4 4632 B12R1.21 C=C(C)CSc1ccc(nc1)N 62a_100000187370_100000211660 [0,2,0,0,0,0|1,1,0]=4 4633 B12R1.21 C=C(C)CSc1ccc(nc1)N 62a_100000748629_100000187370 [0,2,0,0,0,0|1,1,0]=4 4634 B12R1.21 C=C(F)CNc1ccc(cc1)Br 2230a_100000210018_100009893438 [0,2,0,0,0,0|1,0,0]=3 4635 B12R1.21 C=C(F)CNc1ccc(cc1)Br 34a_100000210018_100009893438 [0,2,0,0,0,0|1,0,0]=3 4636 B12R1.21 C=C(F)CNc1ccc(cc1)C 34a_100000124888_100009893438 [0,2,0,0,0,0|1,0,0]=3 4637 B12R1.21 C=C(F)CNc1ccc(cc1)Cl 2230a_100000210052_100009893438 [0,2,0,0,0,0|1,0,0]=3 4638 B12R1.21 C=C(F)CNc1ccc(cc1)Cl 34a_100000210052_100009893438 [0,2,0,0,0,0|1,0,0]=3 4639 B12R1.21 C=C(F)CNc1ccc(cc1)F 34a_100000185862_100009893438 [0,2,0,0,0,0|1,0,0]=3 4640 B12R1.21 C=C(F)CNc1ccc(cc1)I 34a_100000185761_100009893438 [0,2,0,0,0,0|1,0,0]=3 4641 B12R1.21 C=C(F)CNc1ccc(cc1)O 34a_100000185829_100009893438 [0,2,0,0,0,0|1,0,0]=3 4642 B12R1.21 C=C(F)COc1ccc(=O)[nH]c1 34a_100000075641_100009893438 [0,2,0,0,0,0|1,0,0]=3 4643 B12R1.21 C=C(F)COc1ccc(cc1)Br 34a_100000185759_100009893438 [0,2,0,0,0,0|0,0,0]=2 4644 B12R1.21 C=C(F)COc1ccc(cc1)Br 7a_100000185759_100000042424 [0,2,0,0,0,0|0,0,0]=2 4645 B12R1.21 C=C(F)COc1ccc(cc1)C 34a_100000210336_100009893438 [0,2,0,0,0,0|0,0,0]=2 4646 B12R1.21 C=C(F)COc1ccc(cc1)C 7a_100000210336_100000042424 [0,2,0,0,0,0|0,0,0]=2 4647 B12R1.21 C=C(F)COc1ccc(cc1)Cl 34a_100000210216_100009893438 [0,2,0,0,0,0|0,0,0]=2 4648 B12R1.21 C=C(F)COc1ccc(cc1)Cl 7a_100000210216_100000042424 [0,2,0,0,0,0|0,0,0]=2 4649 B12R1.21 C=C(F)COc1ccc(cc1)F 34a_100000210339_100009893438 [0,2,0,0,0,0|0,0,0]=2 4650 B12R1.21 C=C(F)COc1ccc(cc1)I 34a_100000212066_100009893438 [0,2,0,0,0,0|0,0,0]=2 4651 B12R1.21 C=C(F)COc1ccc(cc1)I 7a_100000212066_100000042424 [0,2,0,0,0,0|0,0,0]=2 4652 B12R1.21 C=C(F)COc1ccc(cc1)N 34a_100000185829_100009893438 [0,2,0,0,0,0|0,0,0]=2 4653 B12R1.21 C=C(F)COc1ccc(cn1)C 34a_100000759353_100009893438 [0,2,0,0,0,0|1,0,0]=3 4654 B12R1.21 C=C(F)COc1ccc(cn1)Cl 34a_100011215309_100009893438 [0,2,0,0,0,0|1,0,0]=3 4655 B12R1.21 C=C(F)COc1ccc(cn1)F 34a_100000742473_100009893438 [0,2,0,0,0,0|1,0,0]=3 4656 B12R1.21 C=C(F)COc1ccc(cn1)N 34a_100000729260_100009893438 [0,2,0,0,0,0|1,0,0]=3 4657 B12R1.21 C=C(F)COc1ccc(nc1)Br 34a_100000685995_100009893438 [0,2,0,0,0,0|1,0,0]=3 4658 B12R1.21 C=C(F)COc1ccc(nc1)Br 7a_100000685995_100000042424 [0,2,0,0,0,0|1,0,0]=3 4659 B12R1.21 C=C(F)COc1ccc(nc1)C 34a_100000745506_100009893438 [0,2,0,0,0,0|1,0,0]=3 4660 B12R1.21 C=C(F)COc1ccc(nc1)C 7a_100000745506_100000042424 [0,2,0,0,0,0|1,0,0]=3 4661 B12R1.21 C=C(F)COc1ccc(nc1)Cl 34a_100000744096_100009893438 [0,2,0,0,0,0|1,0,0]=3 4662 B12R1.21 C=C(F)COc1ccc(nc1)Cl 7a_100000744096_100000042424 [0,2,0,0,0,0|1,0,0]=3 4663 B12R1.21 C=C(F)COc1ccc(nc1)F 34a_100000688820_100009893438 [0,2,0,0,0,0|1,0,0]=3 4664 B12R1.21 C=C(F)COc1ccc(nc1)F 7a_100000688820_100000042424 [0,2,0,0,0,0|1,0,0]=3 4665 B12R1.21 C=C(F)COc1ccc(nc1)I 34a_100000687607_100009893438 [0,2,0,0,0,0|1,0,0]=3 4666 B12R1.21 C=C(F)COc1ccc(nc1)I 7a_100000687607_100000042424 [0,2,0,0,0,0|1,0,0]=3 4667 B12R1.21 C=C(F)COc1ccc(nc1)N 34a_100015188713_100009893438 [0,2,0,0,0,0|1,0,0]=3 4668 B12R1.21 C=C(F)COc1ccc(nc1)N 7a_100015188713_100000042424 [0,2,0,0,0,0|1,0,0]=3 4669 B12R1.21 C=C(F)COc1cnc(cn1)Br 34a_100011934580_100009893438 [0,2,0,0,0,0|2,0,0]=4 4670 B12R1.21 C=C(F)COc1cnc(cn1)Cl 34a_100015839800_100009893438 [0,2,0,0,0,0|2,0,0]=4 4671 B12R1.21 C=C(F)COc1cnc(nc1)Br 34a_100000730009_100009893438 [0,2,0,0,0,0|2,0,0]=4 4672 B12R1.21 C=C(F)COc1cnc(nc1)Br 7a_100000730009_100000042424 [0,2,0,0,0,0|2,0,0]=4 4673 B12R1.21 C=C(F)COc1cnc(nc1)C 34a_100000062939_100009893438 [0,2,0,0,0,0|2,0,0]=4 4674 B12R1.21 C=C(F)COc1cnc(nc1)C 7a_100000062939_100000042424 [0,2,0,0,0,0|2,0,0]=4 4675 B12R1.21 C=C(F)COc1cnc(nc1)Cl 34a_100000092845_100009893438 [0,2,0,0,0,0|2,0,0]=4 4676 B12R1.21 C=C(F)COc1cnc(nc1)Cl 7a_100000092845_100000042424 [0,2,0,0,0,0|2,0,0]=4 4677 B12R1.21 C=C(F)COc1cnc(nc1)F 34a_200009874573_100009893438 [0,2,0,0,0,0|2,0,0]=4 4678 B12R1.21 C=C(F)COc1cnc(nc1)F 7a_200009874573_100000042424 [0,2,0,0,0,0|2,0,0]=4 4679 B12R1.21 C=C(F)COc1cnc(nc1)N 34a_100000087137_100009893438 [0,2,0,0,0,0|2,0,0]=4 4680 B12R1.21 C=C(F)COc1cnc(nc1)N 7a_100000087137_100000042424 [0,2,0,0,0,0|2,0,0]=4 4681 B12R1.21 C=C(F)COc1ncc(cn1)F 34a_100011934040_100009893438 [0,2,0,0,0,0|2,0,0]=4 4682 B12R1.21 C=C(F)CSc1cc[n+](cc1)[O-] 62a_100000042424_100000039755 [0,2,0,0,0,0|1,1,0]=4 4683 B12R1.21 C=C(F)CSc1ccc(=O)[nH]c1 62a_100000042424_100000212171 [0,2,0,0,0,0|1,1,0]=4 4684 B12R1.21 C=C(F)CSc1ccc(=O)[nH]c1 62a_100000212171_100000042424 [0,2,0,0,0,0|1,1,0]=4 4685 B12R1.21 C=C(F)CSc1ccc(cc1)Br 62a_100000042424_100000752885 [0,2,0,0,0,0|0,1,0]=3 4686 B12R1.21 C=C(F)CSc1ccc(cc1)Br 62a_100000752885_100000042424 [0,2,0,0,0,0|0,1,0]=3 4687 B12R1.21 C=C(F)CSc1ccc(cc1)C 62a_100000042424_100000186775 [0,2,0,0,0,0|0,1,0]=3 4688 B12R1.21 C=C(F)CSc1ccc(cc1)C 62a_100000186775_100000042424 [0,2,0,0,0,0|0,1,0]=3 4689 B12R1.21 C=C(F)CSc1ccc(cc1)Cl 62a_100000042424_100000755918 [0,2,0,0,0,0|0,1,0]=3 4690 B12R1.21 C=C(F)CSc1ccc(cc1)Cl 62a_100000755918_100000042424 [0,2,0,0,0,0|0,1,0]=3 4691 B12R1.21 C=C(F)CSc1ccc(cc1)F 62a_100000042424_100000211213 [0,2,0,0,0,0|0,1,0]=3 4692 B12R1.21 C=C(F)CSc1ccc(cc1)F 62a_100000211213_100000042424 [0,2,0,0,0,0|0,1,0]=3 4693 B12R1.21 C=C(F)CSc1ccc(cc1)N 62a_100000042424_100000185761 [0,2,0,0,0,0|0,1,0]=3 4694 B12R1.21 C=C(F)CSc1ccc(cc1)N 62a_100000185761_100000042424 [0,2,0,0,0,0|0,1,0]=3 4695 B12R1.21 C=C(F)CSc1ccc(cc1)O 62a_100000042424_100000185759 [0,2,0,0,0,0|0,1,0]=3 4696 B12R1.21 C=C(F)CSc1ccc(cn1)Br 62a_100000042424_100000686858 [0,2,0,0,0,0|1,1,0]=4 4697 B12R1.21 C=C(F)CSc1ccc(cn1)Br 62a_100000686858_100000042424 [0,2,0,0,0,0|1,1,0]=4 4698 B12R1.21 C=C(F)CSc1ccc(cn1)C 62a_100000042424_100000754016 [0,2,0,0,0,0|1,1,0]=4 4699 B12R1.21 C=C(F)CSc1ccc(cn1)C 62a_100011192072_100000042424 [0,2,0,0,0,0|1,1,0]=4 4700 B12R1.21 C=C(F)CSc1ccc(cn1)Cl 62a_100000042424_100011356976 [0,2,0,0,0,0|1,1,0]=4 4701 B12R1.21 C=C(F)CSc1ccc(cn1)Cl 62a_100011356976_100000042424 [0,2,0,0,0,0|1,1,0]=4 4702 B12R1.21 C=C(F)CSc1ccc(cn1)F 62a_100000042424_100000744514 [0,2,0,0,0,0|1,1,0]=4 4703 B12R1.21 C=C(F)CSc1ccc(cn1)F 62a_100000744514_100000042424 [0,2,0,0,0,0|1,1,0]=4 4704 B12R1.21 C=C(F)CSc1ccc(cn1)N 62a_100000042424_100000737798 [0,2,0,0,0,0|1,1,0]=4 4705 B12R1.21 C=C(F)CSc1ccc(cn1)N 62a_100000737798_100000042424 [0,2,0,0,0,0|1,1,0]=4 4706 B12R1.21 C=C(F)CSc1ccc(cn1)O 62a_100000042424_100000744096 [0,2,0,0,0,0|1,1,0]=4 4707 B12R1.21 C=C(F)CSc1ccc(cn1)O 62a_100000685995_100000042424 [0,2,0,0,0,0|1,1,0]=4 4708 B12R1.21 C=C(F)CSc1ccc(nc1)Br 62a_100000042424_100009814638 [0,2,0,0,0,0|1,1,0]=4 4709 B12R1.21 C=C(F)CSc1ccc(nc1)Br 62a_100009814638_100000042424 [0,2,0,0,0,0|1,1,0]=4 4710 B12R1.21 C=C(F)CSc1ccc(nc1)C 62a_100000042424_100000751577 [0,2,0,0,0,0|1,1,0]=4 4711 B12R1.21 C=C(F)CSc1ccc(nc1)C 62a_100000751577_100000042424 [0,2,0,0,0,0|1,1,0]=4 4712 B12R1.21 C=C(F)CSc1ccc(nc1)Cl 62a_100000034144_100000042424 [0,2,0,0,0,0|1,1,0]=4 4713 B12R1.21 C=C(F)CSc1ccc(nc1)Cl 62a_100000042424_100000034144 [0,2,0,0,0,0|1,1,0]=4 4714 B12R1.21 C=C(F)CSc1ccc(nc1)F 62a_100000042367_100000042424 [0,2,0,0,0,0|1,1,0]=4 4715 B12R1.21 C=C(F)CSc1ccc(nc1)F 62a_100000042424_100000042367 [0,2,0,0,0,0|1,1,0]=4 4716 B12R1.21 C=C(F)CSc1ccc(nc1)N 62a_100000042424_100000187370 [0,2,0,0,0,0|1,1,0]=4 4717 B12R1.21 C=C(F)CSc1ccc(nc1)N 62a_100000187370_100000042424 [0,2,0,0,0,0|1,1,0]=4 4718 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [0,2,0,0,0,0|1,0,1]=4 4719 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [0,2,0,0,0,0|1,0,1]=4 4720 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [0,2,0,0,0,0|1,0,1]=4 4721 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [0,2,0,0,0,0|1,0,1]=4 4722 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [0,2,0,0,0,0|1,0,1]=4 4723 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [0,2,0,0,0,0|1,0,1]=4 4724 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [0,2,0,0,0,0|1,0,1]=4 4725 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [0,2,0,0,0,0|1,0,1]=4 4726 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [0,2,0,0,0,0|1,0,1]=4 4727 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [0,2,0,0,0,0|1,0,1]=4 4728 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [0,2,0,0,0,0|1,0,1]=4 4729 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [0,2,0,0,0,0|1,0,1]=4 4730 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [0,2,0,0,0,0|0,0,1]=3 4731 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [0,2,0,0,0,0|0,0,1]=3 4732 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [0,2,0,0,0,0|0,0,1]=3 4733 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [0,2,0,0,0,0|0,0,1]=3 4734 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [0,2,0,0,0,0|0,0,1]=3 4735 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [0,2,0,0,0,0|0,0,1]=3 4736 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [0,2,0,0,0,0|0,1,1]=4 4737 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [0,2,0,0,0,0|0,1,1]=4 4738 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [0,2,0,0,0,0|0,1,1]=4 4739 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [0,2,0,0,0,0|0,1,1]=4 4740 B12R1.21 CC(C)COc1ccc(cc1)Br 34a_100000185759_100000210624 [0,2,0,0,0,0|0,0,2]=4 4741 B12R1.21 CC(C)COc1ccc(cc1)Br 7a_100000185759_100000210760 [0,2,0,0,0,0|0,0,2]=4 4742 B12R1.21 CC(C)COc1ccc(cc1)Cl 34a_100000210216_100000210624 [0,2,0,0,0,0|0,0,2]=4 4743 B12R1.21 CC(C)COc1ccc(cc1)Cl 7a_100000210216_100000210760 [0,2,0,0,0,0|0,0,2]=4 4744 B12R1.21 CC(C)COc1ccc(cc1)F 34a_100000210339_100000210624 [0,2,0,0,0,0|0,0,2]=4 4745 B12R1.21 CC(C)COc1ccc(cc1)I 34a_100000212066_100000210624 [0,2,0,0,0,0|0,0,2]=4 4746 B12R1.21 CC(C)COc1ccc(cc1)I 7a_100000212066_100000210760 [0,2,0,0,0,0|0,0,2]=4 4747 B12R1.21 CC(C)COc1ccc(cc1)N 34a_100000185829_100000210624 [0,2,0,0,0,0|0,0,2]=4 4748 B12R1.21 CC(C)COc1ccc(cc1)O 271570a_203496583355_200000169949 [0,2,0,0,0,0|0,0,2]=4 4749 B12R1.21 CC(O)COc1ccc(cc1)Br 34a_100000185759_100011218427 [0,2,0,0,0,0|0,0,2]=4 4750 B12R1.21 CC(O)COc1ccc(cc1)Br 7a_100000185759_100011218427 [0,2,0,0,0,0|0,0,2]=4 4751 B12R1.21 CC(O)COc1ccc(cc1)Cl 34a_100000210216_100011218427 [0,2,0,0,0,0|0,0,2]=4 4752 B12R1.21 CC(O)COc1ccc(cc1)Cl 7a_100000210216_100011218427 [0,2,0,0,0,0|0,0,2]=4 4753 B12R1.21 CC(O)COc1ccc(cc1)F 34a_100000210339_100011218427 [0,2,0,0,0,0|0,0,2]=4 4754 B12R1.21 CC(O)COc1ccc(cc1)I 34a_100000212066_100011218427 [0,2,0,0,0,0|0,0,2]=4 4755 B12R1.21 CC(O)COc1ccc(cc1)I 7a_100000212066_100011218427 [0,2,0,0,0,0|0,0,2]=4 4756 B12R1.21 CC(O)COc1ccc(cc1)N 34a_100000185829_100011218427 [0,2,0,0,0,0|0,0,2]=4 4757 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 34a_100000185759_100009817552 [0,2,0,0,0,0|0,0,2]=4 4758 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 7a_100000185759_100009817552 [0,2,0,0,0,0|0,0,2]=4 4759 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 34a_100000210216_100009817552 [0,2,0,0,0,0|0,0,2]=4 4760 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 7a_100000210216_100009817552 [0,2,0,0,0,0|0,0,2]=4 4761 B12R1.21 C[C@@H](O)COc1ccc(cc1)F 34a_100000210339_100009817552 [0,2,0,0,0,0|0,0,2]=4 4762 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 34a_100000212066_100009817552 [0,2,0,0,0,0|0,0,2]=4 4763 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 7a_100000212066_100009817552 [0,2,0,0,0,0|0,0,2]=4 4764 B12R1.21 C[C@@H](O)COc1ccc(cc1)N 34a_100000185829_100009817552 [0,2,0,0,0,0|0,0,2]=4 4765 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [0,2,0,0,0,0|1,0,1]=4 4766 B12R1.21 Cc1ccc(cc1)NCC(=O)N 34a_100000124888_100000187820 [0,2,0,0,0,0|2,0,0]=4 4767 B12R1.21 Cc1ccc(cc1)NCC(=O)[O-] 34a_100000124888_100020667443 [0,2,0,0,0,0|2,0,0]=4 4768 B12R1.21 Cc1ccc(cc1)OCC(=O)N 34a_100000210336_100000187820 [0,2,0,0,0,0|1,0,0]=3 4769 B12R1.21 Cc1ccc(cc1)OCC(=O)N 7a_100000210336_100000187820 [0,2,0,0,0,0|1,0,0]=3 4770 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [0,2,0,0,0,0|0,0,1]=3 4771 B12R1.21 Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210336_100020667443 [0,2,0,0,0,0|1,0,0]=3 4772 B12R1.21 Cc1ccc(cc1)OCC(C)C 34a_100000210336_100000210624 [0,2,0,0,0,0|0,0,2]=4 4773 B12R1.21 Cc1ccc(cc1)OCC(C)C 7a_100000210336_100000210760 [0,2,0,0,0,0|0,0,2]=4 4774 B12R1.21 Cc1ccc(cc1)OCC(C)O 34a_100000210336_100011218427 [0,2,0,0,0,0|0,0,2]=4 4775 B12R1.21 Cc1ccc(cc1)OCC(C)O 7a_100000210336_100011218427 [0,2,0,0,0,0|0,0,2]=4 4776 B12R1.21 Cc1ccc(cc1)OCC(F)F 34a_100000210336_100011934356 [0,2,0,0,0,0|1,0,1]=4 4777 B12R1.21 Cc1ccc(cc1)OCC(F)F 7a_100000210336_100011934356 [0,2,0,0,0,0|1,0,1]=4 4778 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 34a_100000210336_100009817552 [0,2,0,0,0,0|0,0,2]=4 4779 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 7a_100000210336_100009817552 [0,2,0,0,0,0|0,0,2]=4 4780 B12R1.21 Cc1ccc(cc1)OC[N+](=O)[O-] 34a_100000210336_100000761209 [0,2,0,0,0,0|2,0,0]=4 4781 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000186775_100000747473 [0,2,0,0,0,0|1,1,0]=4 4782 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000186775 [0,2,0,0,0,0|1,1,0]=4 4783 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [0,2,0,0,0,0|0,1,1]=4 4784 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100000186775_100020667443 [0,2,0,0,0,0|1,1,0]=4 4785 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000186775 [0,2,0,0,0,0|1,1,0]=4 4786 B12R1.21 Cc1ccc(cn1)OCC(=O)N 34a_100000745506_100000187820 [0,2,0,0,0,0|2,0,0]=4 4787 B12R1.21 Cc1ccc(cn1)OCC(=O)N 7a_100000745506_100000187820 [0,2,0,0,0,0|2,0,0]=4 4788 B12R1.21 Cc1ccc(cn1)OCC(=O)[O-] 34a_100000745506_100020667443 [0,2,0,0,0,0|2,0,0]=4 4789 B12R1.21 Cc1ccc(nc1)OCC(=O)N 34a_100000759353_100000187820 [0,2,0,0,0,0|2,0,0]=4 4790 B12R1.21 Cc1ccc(nc1)OCC(=O)[O-] 34a_100000759353_100020667443 [0,2,0,0,0,0|2,0,0]=4 4791 B12R1.21 FC(F)COc1ccc(cc1)Br 34a_100000185759_100011934356 [0,2,0,0,0,0|1,0,1]=4 4792 B12R1.21 FC(F)COc1ccc(cc1)Br 7a_100000185759_100011934356 [0,2,0,0,0,0|1,0,1]=4 4793 B12R1.21 FC(F)COc1ccc(cc1)Cl 34a_100000210216_100011934356 [0,2,0,0,0,0|1,0,1]=4 4794 B12R1.21 FC(F)COc1ccc(cc1)Cl 7a_100000210216_100011934356 [0,2,0,0,0,0|1,0,1]=4 4795 B12R1.21 FC(F)COc1ccc(cc1)I 34a_100000212066_100011934356 [0,2,0,0,0,0|1,0,1]=4 4796 B12R1.21 FC(F)COc1ccc(cc1)I 7a_100000212066_100011934356 [0,2,0,0,0,0|1,0,1]=4 4797 B12R1.21 Fc1ccc(cc1)OCC(F)F 34a_100000210339_100011934356 [0,2,0,0,0,0|1,0,1]=4 4798 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [0,2,0,0,0,0|2,0,0]=4 4799 B12R1.21 NC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747473 [0,2,0,0,0,0|2,0,0]=4 4800 B12R1.21 NC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000187820 [0,2,0,0,0,0|2,0,0]=4 4801 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747473 [0,2,0,0,0,0|2,0,0]=4 4802 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000187820 [0,2,0,0,0,0|2,0,0]=4 4803 B12R1.21 NC(=O)CNc1ccc(cc1)F 34a_100000185862_100000187820 [0,2,0,0,0,0|2,0,0]=4 4804 B12R1.21 NC(=O)CNc1ccc(cc1)I 34a_100000185761_100000187820 [0,2,0,0,0,0|2,0,0]=4 4805 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [0,2,0,0,0,0|2,0,0]=4 4806 B12R1.21 NC(=O)COc1ccc(=O)[nH]c1 34a_100000075641_100000187820 [0,2,0,0,0,0|2,0,0]=4 4807 B12R1.21 NC(=O)COc1ccc(cc1)Br 34a_100000185759_100000187820 [0,2,0,0,0,0|1,0,0]=3 4808 B12R1.21 NC(=O)COc1ccc(cc1)Br 7a_100000185759_100000187820 [0,2,0,0,0,0|1,0,0]=3 4809 B12R1.21 NC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000187820 [0,2,0,0,0,0|1,0,0]=3 4810 B12R1.21 NC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000187820 [0,2,0,0,0,0|1,0,0]=3 4811 B12R1.21 NC(=O)COc1ccc(cc1)F 34a_100000210339_100000187820 [0,2,0,0,0,0|1,0,0]=3 4812 B12R1.21 NC(=O)COc1ccc(cc1)I 34a_100000212066_100000187820 [0,2,0,0,0,0|1,0,0]=3 4813 B12R1.21 NC(=O)COc1ccc(cc1)I 7a_100000212066_100000187820 [0,2,0,0,0,0|1,0,0]=3 4814 B12R1.21 NC(=O)COc1ccc(cc1)N 34a_100000185829_100000187820 [0,2,0,0,0,0|1,0,0]=3 4815 B12R1.21 NC(=O)COc1ccc(cn1)Cl 34a_100011215309_100000187820 [0,2,0,0,0,0|2,0,0]=4 4816 B12R1.21 NC(=O)COc1ccc(cn1)F 34a_100000742473_100000187820 [0,2,0,0,0,0|2,0,0]=4 4817 B12R1.21 NC(=O)COc1ccc(cn1)N 34a_100000729260_100000187820 [0,2,0,0,0,0|2,0,0]=4 4818 B12R1.21 NC(=O)COc1ccc(nc1)Br 34a_100000685995_100000187820 [0,2,0,0,0,0|2,0,0]=4 4819 B12R1.21 NC(=O)COc1ccc(nc1)Br 7a_100000685995_100000187820 [0,2,0,0,0,0|2,0,0]=4 4820 B12R1.21 NC(=O)COc1ccc(nc1)Cl 34a_100000744096_100000187820 [0,2,0,0,0,0|2,0,0]=4 4821 B12R1.21 NC(=O)COc1ccc(nc1)Cl 7a_100000744096_100000187820 [0,2,0,0,0,0|2,0,0]=4 4822 B12R1.21 NC(=O)COc1ccc(nc1)F 34a_100000688820_100000187820 [0,2,0,0,0,0|2,0,0]=4 4823 B12R1.21 NC(=O)COc1ccc(nc1)F 7a_100000688820_100000187820 [0,2,0,0,0,0|2,0,0]=4 4824 B12R1.21 NC(=O)COc1ccc(nc1)I 34a_100000687607_100000187820 [0,2,0,0,0,0|2,0,0]=4 4825 B12R1.21 NC(=O)COc1ccc(nc1)I 7a_100000687607_100000187820 [0,2,0,0,0,0|2,0,0]=4 4826 B12R1.21 NC(=O)COc1ccc(nc1)N 34a_100015188713_100000187820 [0,2,0,0,0,0|2,0,0]=4 4827 B12R1.21 NC(=O)COc1ccc(nc1)N 7a_100015188713_100000187820 [0,2,0,0,0,0|2,0,0]=4 4828 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000747473_100000752885 [0,2,0,0,0,0|1,1,0]=4 4829 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747473 [0,2,0,0,0,0|1,1,0]=4 4830 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000747473_100000755918 [0,2,0,0,0,0|1,1,0]=4 4831 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747473 [0,2,0,0,0,0|1,1,0]=4 4832 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747473 [0,2,0,0,0,0|1,1,0]=4 4833 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000747473_100000211213 [0,2,0,0,0,0|1,1,0]=4 4834 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747473 [0,2,0,0,0,0|1,1,0]=4 4835 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000747473_100000185761 [0,2,0,0,0,0|1,1,0]=4 4836 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [0,2,0,0,0,0|1,1,0]=4 4837 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [0,2,0,0,0,0|1,1,0]=4 4838 B12R1.21 Nc1ccc(cc1)OCC(=O)[O-] 34a_100000185829_100020667443 [0,2,0,0,0,0|1,0,0]=3 4839 B12R1.21 Nc1ccc(cc1)OCC(F)F 34a_100000185829_100011934356 [0,2,0,0,0,0|1,0,1]=4 4840 B12R1.21 Nc1ccc(cc1)OC[N+](=O)[O-] 34a_100000185829_100000761209 [0,2,0,0,0,0|2,0,0]=4 4841 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100000185761_100020667443 [0,2,0,0,0,0|1,1,0]=4 4842 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000185761 [0,2,0,0,0,0|1,1,0]=4 4843 B12R1.21 Nc1ccc(cn1)OCC(=O)[O-] 34a_100015188713_100020667443 [0,2,0,0,0,0|2,0,0]=4 4844 B12R1.21 Nc1ccc(nc1)OCC(=O)[O-] 34a_100000729260_100020667443 [0,2,0,0,0,0|2,0,0]=4 4845 B12R1.21 O=C([O-])CNc1ccc(cc1)Br 34a_100000210018_100020667443 [0,2,0,0,0,0|2,0,0]=4 4846 B12R1.21 O=C([O-])CNc1ccc(cc1)Cl 34a_100000210052_100020667443 [0,2,0,0,0,0|2,0,0]=4 4847 B12R1.21 O=C([O-])CNc1ccc(cc1)F 34a_100000185862_100020667443 [0,2,0,0,0,0|2,0,0]=4 4848 B12R1.21 O=C([O-])CNc1ccc(cc1)I 34a_100000185761_100020667443 [0,2,0,0,0,0|2,0,0]=4 4849 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [0,2,0,0,0,0|2,0,0]=4 4850 B12R1.21 O=C([O-])COc1ccc(=O)[nH]c1 34a_100000075641_100020667443 [0,2,0,0,0,0|2,0,0]=4 4851 B12R1.21 O=C([O-])COc1ccc(cc1)Br 34a_100000185759_100020667443 [0,2,0,0,0,0|1,0,0]=3 4852 B12R1.21 O=C([O-])COc1ccc(cc1)Cl 34a_100000210216_100020667443 [0,2,0,0,0,0|1,0,0]=3 4853 B12R1.21 O=C([O-])COc1ccc(cc1)F 34a_100000210339_100020667443 [0,2,0,0,0,0|1,0,0]=3 4854 B12R1.21 O=C([O-])COc1ccc(cc1)I 34a_100000212066_100020667443 [0,2,0,0,0,0|1,0,0]=3 4855 B12R1.21 O=C([O-])COc1ccc(cn1)Cl 34a_100011215309_100020667443 [0,2,0,0,0,0|2,0,0]=4 4856 B12R1.21 O=C([O-])COc1ccc(cn1)F 34a_100000742473_100020667443 [0,2,0,0,0,0|2,0,0]=4 4857 B12R1.21 O=C([O-])COc1ccc(nc1)Br 34a_100000685995_100020667443 [0,2,0,0,0,0|2,0,0]=4 4858 B12R1.21 O=C([O-])COc1ccc(nc1)Cl 34a_100000744096_100020667443 [0,2,0,0,0,0|2,0,0]=4 4859 B12R1.21 O=C([O-])COc1ccc(nc1)F 34a_100000688820_100020667443 [0,2,0,0,0,0|2,0,0]=4 4860 B12R1.21 O=C([O-])COc1ccc(nc1)I 34a_100000687607_100020667443 [0,2,0,0,0,0|2,0,0]=4 4861 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100000752885_100020667443 [0,2,0,0,0,0|1,1,0]=4 4862 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100020667443_100000752885 [0,2,0,0,0,0|1,1,0]=4 4863 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100000755918_100020667443 [0,2,0,0,0,0|1,1,0]=4 4864 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100020667443_100000755918 [0,2,0,0,0,0|1,1,0]=4 4865 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100000211213_100020667443 [0,2,0,0,0,0|1,1,0]=4 4866 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100020667443_100000211213 [0,2,0,0,0,0|1,1,0]=4 4867 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [0,2,0,0,0,0|1,1,0]=4 4868 B12R1.21 O=[N+]([O-])COc1ccc(cc1)Br 34a_100000185759_100000761209 [0,2,0,0,0,0|2,0,0]=4 4869 B12R1.21 O=[N+]([O-])COc1ccc(cc1)Cl 34a_100000210216_100000761209 [0,2,0,0,0,0|2,0,0]=4 4870 B12R1.21 O=[N+]([O-])COc1ccc(cc1)F 34a_100000210339_100000761209 [0,2,0,0,0,0|2,0,0]=4 4871 B12R1.21 O=[N+]([O-])COc1ccc(cc1)I 34a_100000212066_100000761209 [0,2,0,0,0,0|2,0,0]=4 4872 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [0,2,0,0,0,0|1,0,1]=4 4873 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [0,2,0,0,0,0|1,0,1]=4 4874 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [0,2,0,0,0,0|1,0,1]=4 4875 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [0,2,0,0,0,0|1,0,1]=4 4876 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [0,2,0,0,0,0|1,0,1]=4 4877 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [0,2,0,0,0,0|0,0,1]=3 4878 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [0,2,0,0,0,0|0,0,1]=3 4879 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [0,2,0,0,0,0|0,0,1]=3 4880 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [0,2,0,0,0,0|0,0,1]=3 4881 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [0,2,0,0,0,0|0,0,1]=3 4882 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [0,2,0,0,0,0|0,1,1]=4 4883 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [0,2,0,0,0,0|0,1,1]=4 4884 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [0,2,0,0,0,0|0,1,1]=4 4885 B12R1.49 C#CC(C)Oc1ccc(cc1)Br 34a_100000185759_200000035995 [0,2,0,0,0,0|0,0,2]=4 4886 B12R1.49 C#CC(C)Oc1ccc(cc1)C 34a_100000210336_200000035995 [0,2,0,0,0,0|0,0,2]=4 4887 B12R1.49 C#CC(C)Oc1ccc(cc1)Cl 34a_100000210216_200000035995 [0,2,0,0,0,0|0,0,2]=4 4888 B12R1.49 C#CC(C)Oc1ccc(cc1)F 34a_100000210339_200000035995 [0,2,0,0,0,0|0,0,2]=4 4889 B12R1.49 C#CC(C)Oc1ccc(cc1)I 34a_100000212066_200000035995 [0,2,0,0,0,0|0,0,2]=4 4890 B12R1.49 C#CC(C)Oc1ccc(cc1)N 34a_100000185829_200000035995 [0,2,0,0,0,0|0,0,2]=4 4891 B12R1.49 C=CC(=O)Cc1ccc(cc1)Br 1458a_100000185746_100000189115 [0,2,0,0,0,0|1,0,1]=4 4892 B12R1.49 C=CC(=O)Cc1ccc(cc1)C 1458a_100000185746_100000210814 [0,2,0,0,0,0|1,0,1]=4 4893 B12R1.49 C=CC(=O)Cc1ccc(cc1)Cl 1458a_100000185746_100000694040 [0,2,0,0,0,0|1,0,1]=4 4894 B12R1.49 C=CC(=O)Cc1ccc(cc1)F 1458a_100000185746_100000198546 [0,2,0,0,0,0|1,0,1]=4 4895 B12R1.49 C=CC(=O)Cc1ccc(cc1)I 1458a_100000185746_100000189116 [0,2,0,0,0,0|1,0,1]=4 4896 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185746 [0,2,0,0,0,0|1,0,1]=4 4897 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185746 [0,2,0,0,0,0|1,0,1]=4 4898 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185746 [0,2,0,0,0,0|1,0,1]=4 4899 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000185746 [0,2,0,0,0,0|1,0,1]=4 4900 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185746 [0,2,0,0,0,0|1,0,1]=4 4901 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185746 [0,2,0,0,0,0|1,0,1]=4 4902 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185746 [0,2,0,0,0,0|1,0,1]=4 4903 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000185746 [0,2,0,0,0,0|1,0,1]=4 4904 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185746 [0,2,0,0,0,0|1,0,1]=4 4905 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000185746 [0,2,0,0,0,0|1,0,1]=4 4906 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185746 [0,2,0,0,0,0|1,0,1]=4 4907 B12R1.49 C=CC(C)Sc1cc[n+](cc1)[O-] 62a_100011215867_100000039755 [0,2,0,0,0,0|1,1,0]=4 4908 B12R1.49 C=CC(C)Sc1ccc(=O)[nH]c1 62a_100011215867_100000212171 [0,2,0,0,0,0|1,1,0]=4 4909 B12R1.49 C=CC(C)Sc1ccc(cc1)Br 62a_100011215867_100000752885 [0,2,0,0,0,0|0,1,0]=3 4910 B12R1.49 C=CC(C)Sc1ccc(cc1)C 62a_100011215867_100000186775 [0,2,0,0,0,0|0,1,0]=3 4911 B12R1.49 C=CC(C)Sc1ccc(cc1)Cl 62a_100011215867_100000755918 [0,2,0,0,0,0|0,1,0]=3 4912 B12R1.49 C=CC(C)Sc1ccc(cc1)F 62a_100011215867_100000211213 [0,2,0,0,0,0|0,1,0]=3 4913 B12R1.49 C=CC(C)Sc1ccc(cc1)N 62a_100011215867_100000185761 [0,2,0,0,0,0|0,1,0]=3 4914 B12R1.49 C=CC(C)Sc1ccc(cc1)O 62a_100011215867_100000185759 [0,2,0,0,0,0|0,1,0]=3 4915 B12R1.49 C=CC(C)Sc1ccc(cn1)Br 62a_100011215867_100000686858 [0,2,0,0,0,0|1,1,0]=4 4916 B12R1.49 C=CC(C)Sc1ccc(cn1)C 62a_100011215867_100000754016 [0,2,0,0,0,0|1,1,0]=4 4917 B12R1.49 C=CC(C)Sc1ccc(cn1)Cl 62a_100011215867_100011356976 [0,2,0,0,0,0|1,1,0]=4 4918 B12R1.49 C=CC(C)Sc1ccc(cn1)F 62a_100011215867_100000744514 [0,2,0,0,0,0|1,1,0]=4 4919 B12R1.49 C=CC(C)Sc1ccc(cn1)N 62a_100011215867_100000737798 [0,2,0,0,0,0|1,1,0]=4 4920 B12R1.49 C=CC(C)Sc1ccc(cn1)O 62a_100011215867_100000744096 [0,2,0,0,0,0|1,1,0]=4 4921 B12R1.49 C=CC(C)Sc1ccc(nc1)Br 62a_100011215867_100009814638 [0,2,0,0,0,0|1,1,0]=4 4922 B12R1.49 C=CC(C)Sc1ccc(nc1)C 62a_100011215867_100000751577 [0,2,0,0,0,0|1,1,0]=4 4923 B12R1.49 C=CC(C)Sc1ccc(nc1)Cl 62a_100011215867_100000034144 [0,2,0,0,0,0|1,1,0]=4 4924 B12R1.49 C=CC(C)Sc1ccc(nc1)F 62a_100011215867_100000042367 [0,2,0,0,0,0|1,1,0]=4 4925 B12R1.49 C=CC(C)Sc1ccc(nc1)N 62a_100011215867_100000187370 [0,2,0,0,0,0|1,1,0]=4 4926 B12R1.49 CC(C#N)Oc1ccc(cc1)Br 7a_100000185759_100000703298 [0,2,0,0,0,0|1,0,1]=4 4927 B12R1.49 CC(C#N)Oc1ccc(cc1)Cl 7a_100000210216_100000703298 [0,2,0,0,0,0|1,0,1]=4 4928 B12R1.49 CC(C#N)Oc1ccc(cc1)I 7a_100000212066_100000703298 [0,2,0,0,0,0|1,0,1]=4 4929 B12R1.49 CC(CO)Oc1ccc(cc1)Br 34a_100000185759_100012180447 [0,2,0,0,0,0|1,0,1]=4 4930 B12R1.49 CC(CO)Oc1ccc(cc1)Br 7a_100000185759_100012180447 [0,2,0,0,0,0|1,0,1]=4 4931 B12R1.49 CC(CO)Oc1ccc(cc1)Cl 34a_100000210216_100012180447 [0,2,0,0,0,0|1,0,1]=4 4932 B12R1.49 CC(CO)Oc1ccc(cc1)Cl 7a_100000210216_100012180447 [0,2,0,0,0,0|1,0,1]=4 4933 B12R1.49 CC(CO)Oc1ccc(cc1)F 34a_100000210339_100012180447 [0,2,0,0,0,0|1,0,1]=4 4934 B12R1.49 CC(CO)Oc1ccc(cc1)I 34a_100000212066_100012180447 [0,2,0,0,0,0|1,0,1]=4 4935 B12R1.49 CC(CO)Oc1ccc(cc1)I 7a_100000212066_100012180447 [0,2,0,0,0,0|1,0,1]=4 4936 B12R1.49 CC(CO)Oc1ccc(cc1)N 34a_100000185829_100012180447 [0,2,0,0,0,0|1,0,1]=4 4937 B12R1.49 CCC(C)Oc1ccc(cc1)Br 34a_100000185759_100011215416 [0,2,0,0,0,0|0,0,2]=4 4938 B12R1.49 CCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000758301 [0,2,0,0,0,0|0,0,2]=4 4939 B12R1.49 CCC(C)Oc1ccc(cc1)C 34a_100000210336_100011215416 [0,2,0,0,0,0|0,0,2]=4 4940 B12R1.49 CCC(C)Oc1ccc(cc1)C 7a_100000210336_100000758301 [0,2,0,0,0,0|0,0,2]=4 4941 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100011215416 [0,2,0,0,0,0|0,0,2]=4 4942 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000758301 [0,2,0,0,0,0|0,0,2]=4 4943 B12R1.49 CCC(C)Oc1ccc(cc1)F 34a_100000210339_100011215416 [0,2,0,0,0,0|0,0,2]=4 4944 B12R1.49 CCC(C)Oc1ccc(cc1)I 34a_100000212066_100011215416 [0,2,0,0,0,0|0,0,2]=4 4945 B12R1.49 CCC(C)Oc1ccc(cc1)I 7a_100000212066_100000758301 [0,2,0,0,0,0|0,0,2]=4 4946 B12R1.49 CCC(C)Oc1ccc(cc1)N 34a_100000185829_100011215416 [0,2,0,0,0,0|0,0,2]=4 4947 B12R1.49 Cc1ccc(cc1)OC(C)C#N 7a_100000210336_100000703298 [0,2,0,0,0,0|1,0,1]=4 4948 B12R1.49 Cc1ccc(cc1)OC(C)CO 34a_100000210336_100012180447 [0,2,0,0,0,0|1,0,1]=4 4949 B12R1.49 Cc1ccc(cc1)OC(C)CO 7a_100000210336_100012180447 [0,2,0,0,0,0|1,0,1]=4 4950 B12R1.69 C#CCOc1ccc(cc1Br)Br 34a_100000188717_100000184674 [0,2,0,0,0,0|0,0,2]=4 4951 B12R1.69 C#CCOc1ccc(cc1Br)Br 7a_100000188717_100000038162 [0,2,0,0,0,0|0,0,2]=4 4952 B12R1.69 C#CCOc1ccc(cc1Br)C 34a_100000210800_100000184674 [0,2,0,0,0,0|0,0,2]=4 4953 B12R1.69 C#CCOc1ccc(cc1Br)C 7a_100000210800_100000038162 [0,2,0,0,0,0|0,0,2]=4 4954 B12R1.69 C#CCOc1ccc(cc1Br)Cl 34a_100000211998_100000184674 [0,2,0,0,0,0|0,0,2]=4 4955 B12R1.69 C#CCOc1ccc(cc1Br)Cl 7a_100000211998_100000038162 [0,2,0,0,0,0|0,0,2]=4 4956 B12R1.69 C#CCOc1ccc(cc1Br)F 34a_100000211999_100000184674 [0,2,0,0,0,0|0,0,2]=4 4957 B12R1.69 C#CCOc1ccc(cc1Br)F 7a_100000211999_100000038162 [0,2,0,0,0,0|0,0,2]=4 4958 B12R1.69 C#CCOc1ccc(cc1Br)I 34a_100012361655_100000184674 [0,2,0,0,0,0|0,0,2]=4 4959 B12R1.69 C#CCOc1ccc(cc1Br)I 7a_100012361655_100000038162 [0,2,0,0,0,0|0,0,2]=4 4960 B12R1.69 C#CCOc1ccc(cc1Br)N 34a_100011534360_100000184674 [0,2,0,0,0,0|0,0,2]=4 4961 B12R1.69 C#CCOc1ccc(cc1Br)N 7a_100011534360_100000038162 [0,2,0,0,0,0|0,0,2]=4 4962 B12R1.69 C#CCOc1ccc(cc1C)Br 34a_100000186361_100000184674 [0,2,0,0,0,0|0,0,2]=4 4963 B12R1.69 C#CCOc1ccc(cc1C)Br 7a_100000186361_100000038162 [0,2,0,0,0,0|0,0,2]=4 4964 B12R1.69 C#CCOc1ccc(cc1C)C 34a_100000211776_100000184674 [0,2,0,0,0,0|0,0,2]=4 4965 B12R1.69 C#CCOc1ccc(cc1C)C 7a_100000211776_100000038162 [0,2,0,0,0,0|0,0,2]=4 4966 B12R1.69 C#CCOc1ccc(cc1C)Cl 34a_100000211091_100000184674 [0,2,0,0,0,0|0,0,2]=4 4967 B12R1.69 C#CCOc1ccc(cc1C)Cl 7a_100000211091_100000038162 [0,2,0,0,0,0|0,0,2]=4 4968 B12R1.69 C#CCOc1ccc(cc1C)F 34a_100000764316_100000184674 [0,2,0,0,0,0|0,0,2]=4 4969 B12R1.69 C#CCOc1ccc(cc1C)F 7a_100000764316_100000038162 [0,2,0,0,0,0|0,0,2]=4 4970 B12R1.69 C#CCOc1ccc(cc1C)I 34a_100011218673_100000184674 [0,2,0,0,0,0|0,0,2]=4 4971 B12R1.69 C#CCOc1ccc(cc1C)I 7a_100011218673_100000038162 [0,2,0,0,0,0|0,0,2]=4 4972 B12R1.69 C#CCOc1ccc(cc1C)N 34a_100011218179_100000184674 [0,2,0,0,0,0|0,0,2]=4 4973 B12R1.69 C#CCOc1ccc(cc1C)N 7a_100011218179_100000038162 [0,2,0,0,0,0|0,0,2]=4 4974 B12R1.69 C#CCOc1ccc(cc1Cl)Br 34a_100000186472_100000184674 [0,2,0,0,0,0|0,0,2]=4 4975 B12R1.69 C#CCOc1ccc(cc1Cl)Br 7a_100000186472_100000038162 [0,2,0,0,0,0|0,0,2]=4 4976 B12R1.69 C#CCOc1ccc(cc1Cl)C 34a_100000749699_100000184674 [0,2,0,0,0,0|0,0,2]=4 4977 B12R1.69 C#CCOc1ccc(cc1Cl)C 7a_100000749699_100000038162 [0,2,0,0,0,0|0,0,2]=4 4978 B12R1.69 C#CCOc1ccc(cc1Cl)Cl 34a_100015191787_100000184674 [0,2,0,0,0,0|0,0,2]=4 4979 B12R1.69 C#CCOc1ccc(cc1Cl)Cl 7a_100015191787_100000038162 [0,2,0,0,0,0|0,0,2]=4 4980 B12R1.69 C#CCOc1ccc(cc1Cl)F 34a_100000212004_100000184674 [0,2,0,0,0,0|0,0,2]=4 4981 B12R1.69 C#CCOc1ccc(cc1Cl)F 7a_100000212004_100000038162 [0,2,0,0,0,0|0,0,2]=4 4982 B12R1.69 C#CCOc1ccc(cc1Cl)I 34a_100012360047_100000184674 [0,2,0,0,0,0|0,0,2]=4 4983 B12R1.69 C#CCOc1ccc(cc1Cl)I 7a_100012360047_100000038162 [0,2,0,0,0,0|0,0,2]=4 4984 B12R1.69 C#CCOc1ccc(cc1Cl)N 34a_100000744943_100000184674 [0,2,0,0,0,0|0,0,2]=4 4985 B12R1.69 C#CCOc1ccc(cc1Cl)N 7a_100000744943_100000038162 [0,2,0,0,0,0|0,0,2]=4 4986 B12R1.69 C#CCOc1ccc(cc1F)Br 34a_100000185481_100000184674 [0,2,0,0,0,0|0,0,2]=4 4987 B12R1.69 C#CCOc1ccc(cc1F)Br 7a_100000185481_100000038162 [0,2,0,0,0,0|0,0,2]=4 4988 B12R1.69 C#CCOc1ccc(cc1F)C 34a_100011216688_100000184674 [0,2,0,0,0,0|0,0,2]=4 4989 B12R1.69 C#CCOc1ccc(cc1F)C 7a_100011216688_100000038162 [0,2,0,0,0,0|0,0,2]=4 4990 B12R1.69 C#CCOc1ccc(cc1F)Cl 34a_100000230166_100000184674 [0,2,0,0,0,0|0,0,2]=4 4991 B12R1.69 C#CCOc1ccc(cc1F)Cl 7a_100000230166_100000038162 [0,2,0,0,0,0|0,0,2]=4 4992 B12R1.69 C#CCOc1ccc(cc1F)F 34a_100000230127_100000184674 [0,2,0,0,0,0|0,0,2]=4 4993 B12R1.69 C#CCOc1ccc(cc1F)F 7a_100000230127_100000038162 [0,2,0,0,0,0|0,0,2]=4 4994 B12R1.69 C#CCOc1ccc(cc1F)I 34a_100011356965_100000184674 [0,2,0,0,0,0|0,0,2]=4 4995 B12R1.69 C#CCOc1ccc(cc1F)I 7a_100011356965_100000038162 [0,2,0,0,0,0|0,0,2]=4 4996 B12R1.69 C#CCOc1ccc(cc1F)N 34a_100011220035_100000184674 [0,2,0,0,0,0|0,0,2]=4 4997 B12R1.69 C#CCOc1ccc(cc1F)N 7a_100011220035_100000038162 [0,2,0,0,0,0|0,0,2]=4 4998 B12R1.69 C#CCOc1ccc(cc1I)Br 34a_100012355227_100000184674 [0,2,0,0,0,0|0,0,2]=4 4999 B12R1.69 C#CCOc1ccc(cc1I)Br 7a_100012355227_100000038162 [0,2,0,0,0,0|0,0,2]=4 5000 B12R1.69 C#CCOc1ccc(cc1I)C 34a_100000765521_100000184674 [0,2,0,0,0,0|0,0,2]=4 5001 B12R1.69 C#CCOc1ccc(cc1I)C 7a_100000765521_100000038162 [0,2,0,0,0,0|0,0,2]=4 5002 B12R1.69 C#CCOc1ccc(cc1I)Cl 34a_100011356953_100000184674 [0,2,0,0,0,0|0,0,2]=4 5003 B12R1.69 C#CCOc1ccc(cc1I)Cl 7a_100011356953_100000038162 [0,2,0,0,0,0|0,0,2]=4 5004 B12R1.69 C#CCOc1ccc(cc1I)F 34a_100012355409_100000184674 [0,2,0,0,0,0|0,0,2]=4 5005 B12R1.69 C#CCOc1ccc(cc1I)F 7a_100012355409_100000038162 [0,2,0,0,0,0|0,0,2]=4 5006 B12R1.69 C#CCOc1ccc(cc1I)I 7a_100010001573_100000038162 [0,2,0,0,0,0|0,0,2]=4 5007 B12R1.69 C#CCOc1ccc(cc1N)Br 34a_100000752626_100000184674 [0,2,0,0,0,0|0,0,2]=4 5008 B12R1.69 C#CCOc1ccc(cc1N)Br 7a_100000752626_100000038162 [0,2,0,0,0,0|0,0,2]=4 5009 B12R1.69 C#CCOc1ccc(cc1N)C 34a_100011215204_100000184674 [0,2,0,0,0,0|0,0,2]=4 5010 B12R1.69 C#CCOc1ccc(cc1N)C 7a_100011215204_100000038162 [0,2,0,0,0,0|0,0,2]=4 5011 B12R1.69 C#CCOc1ccc(cc1N)Cl 34a_100000210500_100000184674 [0,2,0,0,0,0|0,0,2]=4 5012 B12R1.69 C#CCOc1ccc(cc1N)Cl 7a_100000210500_100000038162 [0,2,0,0,0,0|0,0,2]=4 5013 B12R1.69 C#CCOc1ccc(cc1N)F 34a_100000759472_100000184674 [0,2,0,0,0,0|0,0,2]=4 5014 B12R1.69 C#CCOc1ccc(cc1N)F 7a_100000759472_100000038162 [0,2,0,0,0,0|0,0,2]=4 5015 B12R1.69 C#CCOc1ccc(cc1N)I 34a_100000753495_100000184674 [0,2,0,0,0,0|0,0,2]=4 5016 B12R1.69 C#CCOc1ccc(cc1N)I 7a_100000753495_100000038162 [0,2,0,0,0,0|0,0,2]=4 5017 B12R1.69 C#CCOc1ccc(cc1N)N 34a_100000725306_100000184674 [0,2,0,0,0,0|0,0,2]=4 5018 B12R1.69 C=CCNc1ccc(cc1Br)Br 34a_100000211012_100015514636 [0,2,0,0,0,0|1,0,0]=3 5019 B12R1.69 C=CCNc1ccc(cc1Br)C 34a_100000210942_100015514636 [0,2,0,0,0,0|1,0,0]=3 5020 B12R1.69 C=CCNc1ccc(cc1Br)Cl 34a_100000752454_100015514636 [0,2,0,0,0,0|1,0,0]=3 5021 B12R1.69 C=CCNc1ccc(cc1Br)F 34a_100000738039_100015514636 [0,2,0,0,0,0|1,0,0]=3 5022 B12R1.69 C=CCNc1ccc(cc1Br)O 34a_100012001276_100015514636 [0,2,0,0,0,0|1,0,0]=3 5023 B12R1.69 C=CCNc1ccc(cc1C)Br 34a_100000211769_100015514636 [0,2,0,0,0,0|1,0,0]=3 5024 B12R1.69 C=CCNc1ccc(cc1C)Br 7a_100000211769_100015514636 [0,2,0,0,0,0|1,0,0]=3 5025 B12R1.69 C=CCNc1ccc(cc1C)C 34a_100000736561_100015514636 [0,2,0,0,0,0|1,0,0]=3 5026 B12R1.69 C=CCNc1ccc(cc1C)C 7a_100000736561_100015514636 [0,2,0,0,0,0|1,0,0]=3 5027 B12R1.69 C=CCNc1ccc(cc1C)Cl 34a_100000210418_100015514636 [0,2,0,0,0,0|1,0,0]=3 5028 B12R1.69 C=CCNc1ccc(cc1C)Cl 7a_100000210418_100015514636 [0,2,0,0,0,0|1,0,0]=3 5029 B12R1.69 C=CCNc1ccc(cc1C)F 34a_100000211637_100015514636 [0,2,0,0,0,0|1,0,0]=3 5030 B12R1.69 C=CCNc1ccc(cc1C)F 7a_100000211637_100015514636 [0,2,0,0,0,0|1,0,0]=3 5031 B12R1.69 C=CCNc1ccc(cc1C)I 34a_100000184554_100015514636 [0,2,0,0,0,0|1,0,0]=3 5032 B12R1.69 C=CCNc1ccc(cc1C)I 7a_100000184554_100015514636 [0,2,0,0,0,0|1,0,0]=3 5033 B12R1.69 C=CCNc1ccc(cc1C)O 34a_100000756630_100015514636 [0,2,0,0,0,0|1,0,0]=3 5034 B12R1.69 C=CCNc1ccc(cc1Cl)Br 34a_100000211467_100015514636 [0,2,0,0,0,0|1,0,0]=3 5035 B12R1.69 C=CCNc1ccc(cc1Cl)C 34a_100000210522_100015514636 [0,2,0,0,0,0|1,0,0]=3 5036 B12R1.69 C=CCNc1ccc(cc1Cl)Cl 34a_100000185861_100015514636 [0,2,0,0,0,0|1,0,0]=3 5037 B12R1.69 C=CCNc1ccc(cc1Cl)F 34a_100000212003_100015514636 [0,2,0,0,0,0|1,0,0]=3 5038 B12R1.69 C=CCNc1ccc(cc1Cl)I 34a_100011218065_100015514636 [0,2,0,0,0,0|1,0,0]=3 5039 B12R1.69 C=CCNc1ccc(cc1Cl)O 34a_100011215599_100015514636 [0,2,0,0,0,0|1,0,0]=3 5040 B12R1.69 C=CCNc1ccc(cc1F)Br 34a_100000210722_100015514636 [0,2,0,0,0,0|1,0,0]=3 5041 B12R1.69 C=CCNc1ccc(cc1F)C 34a_100000211023_100015514636 [0,2,0,0,0,0|1,0,0]=3 5042 B12R1.69 C=CCNc1ccc(cc1F)Cl 34a_100000211020_100015514636 [0,2,0,0,0,0|1,0,0]=3 5043 B12R1.69 C=CCNc1ccc(cc1F)F 34a_100000210720_100015514636 [0,2,0,0,0,0|1,0,0]=3 5044 B12R1.69 C=CCNc1ccc(cc1F)I 34a_100011215594_100015514636 [0,2,0,0,0,0|1,0,0]=3 5045 B12R1.69 C=CCNc1ccc(cc1F)O 34a_100000759473_100015514636 [0,2,0,0,0,0|1,0,0]=3 5046 B12R1.69 C=CCNc1ccc(cc1I)Br 34a_100000187925_100015514636 [0,2,0,0,0,0|1,0,0]=3 5047 B12R1.69 C=CCNc1ccc(cc1I)C 34a_100011356834_100015514636 [0,2,0,0,0,0|1,0,0]=3 5048 B12R1.69 C=CCNc1ccc(cc1I)Cl 34a_100000761889_100015514636 [0,2,0,0,0,0|1,0,0]=3 5049 B12R1.69 C=CCNc1ccc(cc1I)F 34a_100000760547_100015514636 [0,2,0,0,0,0|1,0,0]=3 5050 B12R1.69 C=CCNc1ccc(cc1I)O 34a_100010084370_100015514636 [0,2,0,0,0,0|1,0,0]=3 5051 B12R1.69 C=CCNc1ccc(cc1O)Br 34a_100000739049_100015514636 [0,2,0,0,0,0|1,0,0]=3 5052 B12R1.69 C=CCNc1ccc(cc1O)C 34a_100000211527_100015514636 [0,2,0,0,0,0|1,0,0]=3 5053 B12R1.69 C=CCNc1ccc(cc1O)Cl 34a_100000185728_100015514636 [0,2,0,0,0,0|1,0,0]=3 5054 B12R1.69 C=CCNc1ccc(cc1O)F 34a_100000753323_100015514636 [0,2,0,0,0,0|1,0,0]=3 5055 B12R1.69 C=CCNc1ccc(cc1O)O 34a_100000106777_100015514636 [0,2,0,0,0,0|1,0,0]=3 5056 B12R1.69 C=CCOc1ccc(cc1Br)Br 34a_100000188717_100015514636 [0,2,0,0,0,0|0,0,0]=2 5057 B12R1.69 C=CCOc1ccc(cc1Br)Br 7a_100000188717_100015514636 [0,2,0,0,0,0|0,0,0]=2 5058 B12R1.69 C=CCOc1ccc(cc1Br)C 34a_100000210800_100015514636 [0,2,0,0,0,0|0,0,0]=2 5059 B12R1.69 C=CCOc1ccc(cc1Br)C 7a_100000210800_100015514636 [0,2,0,0,0,0|0,0,0]=2 5060 B12R1.69 C=CCOc1ccc(cc1Br)Cl 34a_100000211998_100015514636 [0,2,0,0,0,0|0,0,0]=2 5061 B12R1.69 C=CCOc1ccc(cc1Br)Cl 7a_100000211998_100015514636 [0,2,0,0,0,0|0,0,0]=2 5062 B12R1.69 C=CCOc1ccc(cc1Br)F 34a_100000211999_100015514636 [0,2,0,0,0,0|0,0,0]=2 5063 B12R1.69 C=CCOc1ccc(cc1Br)F 7a_100000211999_100015514636 [0,2,0,0,0,0|0,0,0]=2 5064 B12R1.69 C=CCOc1ccc(cc1Br)I 34a_100012361655_100015514636 [0,2,0,0,0,0|0,0,0]=2 5065 B12R1.69 C=CCOc1ccc(cc1Br)I 7a_100012361655_100015514636 [0,2,0,0,0,0|0,0,0]=2 5066 B12R1.69 C=CCOc1ccc(cc1Br)N 34a_100011534360_100015514636 [0,2,0,0,0,0|0,0,0]=2 5067 B12R1.69 C=CCOc1ccc(cc1Br)N 7a_100011534360_100015514636 [0,2,0,0,0,0|0,0,0]=2 5068 B12R1.69 C=CCOc1ccc(cc1C)Br 34a_100000186361_100015514636 [0,2,0,0,0,0|0,0,0]=2 5069 B12R1.69 C=CCOc1ccc(cc1C)Br 7a_100000186361_100015514636 [0,2,0,0,0,0|0,0,0]=2 5070 B12R1.69 C=CCOc1ccc(cc1C)C 34a_100000211776_100015514636 [0,2,0,0,0,0|0,0,0]=2 5071 B12R1.69 C=CCOc1ccc(cc1C)C 7a_100000211776_100015514636 [0,2,0,0,0,0|0,0,0]=2 5072 B12R1.69 C=CCOc1ccc(cc1C)Cl 34a_100000211091_100015514636 [0,2,0,0,0,0|0,0,0]=2 5073 B12R1.69 C=CCOc1ccc(cc1C)Cl 7a_100000211091_100015514636 [0,2,0,0,0,0|0,0,0]=2 5074 B12R1.69 C=CCOc1ccc(cc1C)F 34a_100000764316_100015514636 [0,2,0,0,0,0|0,0,0]=2 5075 B12R1.69 C=CCOc1ccc(cc1C)F 7a_100000764316_100015514636 [0,2,0,0,0,0|0,0,0]=2 5076 B12R1.69 C=CCOc1ccc(cc1C)I 34a_100011218673_100015514636 [0,2,0,0,0,0|0,0,0]=2 5077 B12R1.69 C=CCOc1ccc(cc1C)I 7a_100011218673_100015514636 [0,2,0,0,0,0|0,0,0]=2 5078 B12R1.69 C=CCOc1ccc(cc1C)N 34a_100011218179_100015514636 [0,2,0,0,0,0|0,0,0]=2 5079 B12R1.69 C=CCOc1ccc(cc1C)N 7a_100011218179_100015514636 [0,2,0,0,0,0|0,0,0]=2 5080 B12R1.69 C=CCOc1ccc(cc1Cl)Br 34a_100000186472_100015514636 [0,2,0,0,0,0|0,0,0]=2 5081 B12R1.69 C=CCOc1ccc(cc1Cl)Br 7a_100000186472_100015514636 [0,2,0,0,0,0|0,0,0]=2 5082 B12R1.69 C=CCOc1ccc(cc1Cl)C 34a_100000749699_100015514636 [0,2,0,0,0,0|0,0,0]=2 5083 B12R1.69 C=CCOc1ccc(cc1Cl)C 7a_100000749699_100015514636 [0,2,0,0,0,0|0,0,0]=2 5084 B12R1.69 C=CCOc1ccc(cc1Cl)Cl 34a_100015191787_100015514636 [0,2,0,0,0,0|0,0,0]=2 5085 B12R1.69 C=CCOc1ccc(cc1Cl)Cl 7a_100015191787_100015514636 [0,2,0,0,0,0|0,0,0]=2 5086 B12R1.69 C=CCOc1ccc(cc1Cl)F 34a_100000212004_100015514636 [0,2,0,0,0,0|0,0,0]=2 5087 B12R1.69 C=CCOc1ccc(cc1Cl)F 7a_100000212004_100015514636 [0,2,0,0,0,0|0,0,0]=2 5088 B12R1.69 C=CCOc1ccc(cc1Cl)I 34a_100012360047_100015514636 [0,2,0,0,0,0|0,0,0]=2 5089 B12R1.69 C=CCOc1ccc(cc1Cl)I 7a_100012360047_100015514636 [0,2,0,0,0,0|0,0,0]=2 5090 B12R1.69 C=CCOc1ccc(cc1Cl)N 34a_100000744943_100015514636 [0,2,0,0,0,0|0,0,0]=2 5091 B12R1.69 C=CCOc1ccc(cc1Cl)N 7a_100000744943_100015514636 [0,2,0,0,0,0|0,0,0]=2 5092 B12R1.69 C=CCOc1ccc(cc1F)Br 34a_100000185481_100015514636 [0,2,0,0,0,0|0,0,0]=2 5093 B12R1.69 C=CCOc1ccc(cc1F)Br 7a_100000185481_100015514636 [0,2,0,0,0,0|0,0,0]=2 5094 B12R1.69 C=CCOc1ccc(cc1F)C 34a_100011216688_100015514636 [0,2,0,0,0,0|0,0,0]=2 5095 B12R1.69 C=CCOc1ccc(cc1F)C 7a_100011216688_100015514636 [0,2,0,0,0,0|0,0,0]=2 5096 B12R1.69 C=CCOc1ccc(cc1F)Cl 34a_100000230166_100015514636 [0,2,0,0,0,0|0,0,0]=2 5097 B12R1.69 C=CCOc1ccc(cc1F)Cl 7a_100000230166_100015514636 [0,2,0,0,0,0|0,0,0]=2 5098 B12R1.69 C=CCOc1ccc(cc1F)F 34a_100000230127_100015514636 [0,2,0,0,0,0|0,0,0]=2 5099 B12R1.69 C=CCOc1ccc(cc1F)F 7a_100000230127_100015514636 [0,2,0,0,0,0|0,0,0]=2 5100 B12R1.69 C=CCOc1ccc(cc1F)I 34a_100011356965_100015514636 [0,2,0,0,0,0|0,0,0]=2 5101 B12R1.69 C=CCOc1ccc(cc1F)I 7a_100011356965_100015514636 [0,2,0,0,0,0|0,0,0]=2 5102 B12R1.69 C=CCOc1ccc(cc1F)N 34a_100011220035_100015514636 [0,2,0,0,0,0|0,0,0]=2 5103 B12R1.69 C=CCOc1ccc(cc1F)N 7a_100011220035_100015514636 [0,2,0,0,0,0|0,0,0]=2 5104 B12R1.69 C=CCOc1ccc(cc1I)Br 34a_100012355227_100015514636 [0,2,0,0,0,0|0,0,0]=2 5105 B12R1.69 C=CCOc1ccc(cc1I)Br 7a_100012355227_100015514636 [0,2,0,0,0,0|0,0,0]=2 5106 B12R1.69 C=CCOc1ccc(cc1I)C 34a_100000765521_100015514636 [0,2,0,0,0,0|0,0,0]=2 5107 B12R1.69 C=CCOc1ccc(cc1I)C 7a_100000765521_100015514636 [0,2,0,0,0,0|0,0,0]=2 5108 B12R1.69 C=CCOc1ccc(cc1I)Cl 34a_100011356953_100015514636 [0,2,0,0,0,0|0,0,0]=2 5109 B12R1.69 C=CCOc1ccc(cc1I)Cl 7a_100011356953_100015514636 [0,2,0,0,0,0|0,0,0]=2 5110 B12R1.69 C=CCOc1ccc(cc1I)F 34a_100012355409_100015514636 [0,2,0,0,0,0|0,0,0]=2 5111 B12R1.69 C=CCOc1ccc(cc1I)F 7a_100012355409_100015514636 [0,2,0,0,0,0|0,0,0]=2 5112 B12R1.69 C=CCOc1ccc(cc1I)I 7a_100010001573_100015514636 [0,2,0,0,0,0|0,0,0]=2 5113 B12R1.69 C=CCOc1ccc(cc1N)Br 34a_100000752626_100015514636 [0,2,0,0,0,0|0,0,0]=2 5114 B12R1.69 C=CCOc1ccc(cc1N)Br 7a_100000752626_100015514636 [0,2,0,0,0,0|0,0,0]=2 5115 B12R1.69 C=CCOc1ccc(cc1N)C 34a_100011215204_100015514636 [0,2,0,0,0,0|0,0,0]=2 5116 B12R1.69 C=CCOc1ccc(cc1N)C 7a_100011215204_100015514636 [0,2,0,0,0,0|0,0,0]=2 5117 B12R1.69 C=CCOc1ccc(cc1N)Cl 34a_100000210500_100015514636 [0,2,0,0,0,0|0,0,0]=2 5118 B12R1.69 C=CCOc1ccc(cc1N)Cl 7a_100000210500_100015514636 [0,2,0,0,0,0|0,0,0]=2 5119 B12R1.69 C=CCOc1ccc(cc1N)F 34a_100000759472_100015514636 [0,2,0,0,0,0|0,0,0]=2 5120 B12R1.69 C=CCOc1ccc(cc1N)F 7a_100000759472_100015514636 [0,2,0,0,0,0|0,0,0]=2 5121 B12R1.69 C=CCOc1ccc(cc1N)I 34a_100000753495_100015514636 [0,2,0,0,0,0|0,0,0]=2 5122 B12R1.69 C=CCOc1ccc(cc1N)I 7a_100000753495_100015514636 [0,2,0,0,0,0|0,0,0]=2 5123 B12R1.69 C=CCOc1ccc(cc1N)N 34a_100000725306_100015514636 [0,2,0,0,0,0|0,0,0]=2 5124 B12R1.69 C=CCOc1ccc(nc1Br)Br 34a_100009999766_100015514636 [0,2,0,0,0,0|1,0,0]=3 5125 B12R1.69 C=CCOc1ccc(nc1Br)Br 7a_100009999766_100015514636 [0,2,0,0,0,0|1,0,0]=3 5126 B12R1.69 C=CCOc1ccc(nc1Br)C 34a_100000702858_100015514636 [0,2,0,0,0,0|1,0,0]=3 5127 B12R1.69 C=CCOc1ccc(nc1Br)C 7a_100000702858_100015514636 [0,2,0,0,0,0|1,0,0]=3 5128 B12R1.69 C=CCOc1ccc(nc1Br)Cl 34a_100010219353_100015514636 [0,2,0,0,0,0|1,0,0]=3 5129 B12R1.69 C=CCOc1ccc(nc1Br)Cl 7a_100010219353_100015514636 [0,2,0,0,0,0|1,0,0]=3 5130 B12R1.69 C=CCOc1ccc(nc1Br)F 34a_100009887730_100015514636 [0,2,0,0,0,0|1,0,0]=3 5131 B12R1.69 C=CCOc1ccc(nc1Br)F 7a_100009887730_100015514636 [0,2,0,0,0,0|1,0,0]=3 5132 B12R1.69 C=CCOc1ccc(nc1Br)I 34a_100000725334_100015514636 [0,2,0,0,0,0|1,0,0]=3 5133 B12R1.69 C=CCOc1ccc(nc1Br)I 7a_100000725334_100015514636 [0,2,0,0,0,0|1,0,0]=3 5134 B12R1.69 C=CCOc1ccc(nc1C)Br 34a_100012002022_100015514636 [0,2,0,0,0,0|1,0,0]=3 5135 B12R1.69 C=CCOc1ccc(nc1C)Br 7a_100012002022_100015514636 [0,2,0,0,0,0|1,0,0]=3 5136 B12R1.69 C=CCOc1ccc(nc1C)C 34a_100011218912_100015514636 [0,2,0,0,0,0|1,0,0]=3 5137 B12R1.69 C=CCOc1ccc(nc1C)C 7a_100011218912_100015514636 [0,2,0,0,0,0|1,0,0]=3 5138 B12R1.69 C=CCOc1ccc(nc1C)Cl 34a_100012184626_100015514636 [0,2,0,0,0,0|1,0,0]=3 5139 B12R1.69 C=CCOc1ccc(nc1C)Cl 7a_100012184626_100015514636 [0,2,0,0,0,0|1,0,0]=3 5140 B12R1.69 C=CCOc1ccc(nc1C)F 34a_100009881036_100015514636 [0,2,0,0,0,0|1,0,0]=3 5141 B12R1.69 C=CCOc1ccc(nc1C)F 7a_100009881036_100015514636 [0,2,0,0,0,0|1,0,0]=3 5142 B12R1.69 C=CCOc1ccc(nc1C)I 34a_100010233687_100015514636 [0,2,0,0,0,0|1,0,0]=3 5143 B12R1.69 C=CCOc1ccc(nc1C)I 7a_100010233687_100015514636 [0,2,0,0,0,0|1,0,0]=3 5144 B12R1.69 C=CCOc1ccc(nc1Cl)Br 34a_100010246206_100015514636 [0,2,0,0,0,0|1,0,0]=3 5145 B12R1.69 C=CCOc1ccc(nc1Cl)Br 7a_100010246206_100015514636 [0,2,0,0,0,0|1,0,0]=3 5146 B12R1.69 C=CCOc1ccc(nc1Cl)C 34a_100000086286_100015514636 [0,2,0,0,0,0|1,0,0]=3 5147 B12R1.69 C=CCOc1ccc(nc1Cl)C 7a_100000086286_100015514636 [0,2,0,0,0,0|1,0,0]=3 5148 B12R1.69 C=CCOc1ccc(nc1Cl)Cl 34a_100000101165_100015514636 [0,2,0,0,0,0|1,0,0]=3 5149 B12R1.69 C=CCOc1ccc(nc1Cl)Cl 7a_100000101165_100015514636 [0,2,0,0,0,0|1,0,0]=3 5150 B12R1.69 C=CCOc1ccc(nc1Cl)I 34a_100000721234_100015514636 [0,2,0,0,0,0|1,0,0]=3 5151 B12R1.69 C=CCOc1ccc(nc1Cl)I 7a_100000721234_100015514636 [0,2,0,0,0,0|1,0,0]=3 5152 B12R1.69 C=CCOc1ccc(nc1F)Br 34a_100009819667_100015514636 [0,2,0,0,0,0|1,0,0]=3 5153 B12R1.69 C=CCOc1ccc(nc1F)Br 7a_100009819667_100015514636 [0,2,0,0,0,0|1,0,0]=3 5154 B12R1.69 C=CCOc1ccc(nc1F)C 34a_100000079963_100015514636 [0,2,0,0,0,0|1,0,0]=3 5155 B12R1.69 C=CCOc1ccc(nc1F)C 7a_100000079963_100015514636 [0,2,0,0,0,0|1,0,0]=3 5156 B12R1.69 C=CCOc1ccc(nc1F)Cl 34a_100009880201_100015514636 [0,2,0,0,0,0|1,0,0]=3 5157 B12R1.69 C=CCOc1ccc(nc1F)Cl 7a_100009880201_100015514636 [0,2,0,0,0,0|1,0,0]=3 5158 B12R1.69 C=CCOc1ccc(nc1F)F 34a_100000101184_100015514636 [0,2,0,0,0,0|1,0,0]=3 5159 B12R1.69 C=CCOc1ccc(nc1F)F 7a_100000101184_100015514636 [0,2,0,0,0,0|1,0,0]=3 5160 B12R1.69 C=CCOc1ccc(nc1I)Br 34a_100010253912_100015514636 [0,2,0,0,0,0|1,0,0]=3 5161 B12R1.69 C=CCOc1ccc(nc1I)Br 7a_100010253912_100015514636 [0,2,0,0,0,0|1,0,0]=3 5162 B12R1.69 C=CCOc1ccc(nc1I)C 34a_100000023897_100015514636 [0,2,0,0,0,0|1,0,0]=3 5163 B12R1.69 C=CCOc1ccc(nc1I)C 7a_100000023897_100015514636 [0,2,0,0,0,0|1,0,0]=3 5164 B12R1.69 C=CCOc1ccc(nc1I)Cl 34a_100000696390_100015514636 [0,2,0,0,0,0|1,0,0]=3 5165 B12R1.69 C=CCOc1ccc(nc1I)Cl 7a_100000696390_100015514636 [0,2,0,0,0,0|1,0,0]=3 5166 B12R1.69 C=CCOc1ccc(nc1I)F 34a_100010382442_100015514636 [0,2,0,0,0,0|1,0,0]=3 5167 B12R1.69 C=CCOc1ccc(nc1I)F 7a_100010382442_100015514636 [0,2,0,0,0,0|1,0,0]=3 5168 B12R1.69 C=CCOc1ccc(nc1N)Br 34a_100000685527_100015514636 [0,2,0,0,0,0|1,0,0]=3 5169 B12R1.69 C=CCOc1ccc(nc1N)Br 7a_100000685527_100015514636 [0,2,0,0,0,0|1,0,0]=3 5170 B12R1.69 C=CCOc1ccc(nc1N)C 34a_100000694039_100015514636 [0,2,0,0,0,0|1,0,0]=3 5171 B12R1.69 C=CCOc1ccc(nc1N)C 7a_100000694039_100015514636 [0,2,0,0,0,0|1,0,0]=3 5172 B12R1.69 C=CCOc1ccc(nc1N)Cl 34a_100000717809_100015514636 [0,2,0,0,0,0|1,0,0]=3 5173 B12R1.69 C=CCOc1ccc(nc1N)Cl 7a_100000717809_100015514636 [0,2,0,0,0,0|1,0,0]=3 5174 B12R1.69 C=CCOc1cnc(cc1Br)C 34a_100009843476_100015514636 [0,2,0,0,0,0|1,0,0]=3 5175 B12R1.69 C=CCOc1cnc(cc1Br)C 7a_100009843476_100015514636 [0,2,0,0,0,0|1,0,0]=3 5176 B12R1.69 C=CCOc1cnc(cc1C)C 34a_200000068632_100015514636 [0,2,0,0,0,0|1,0,0]=3 5177 B12R1.69 C=CCOc1cnc(cc1C)C 7a_200000068632_100015514636 [0,2,0,0,0,0|1,0,0]=3 5178 B12R1.69 C=CCOc1cnc(cc1C)Cl 34a_100000692680_100015514636 [0,2,0,0,0,0|1,0,0]=3 5179 B12R1.69 C=CCOc1cnc(cc1C)Cl 7a_100000692680_100015514636 [0,2,0,0,0,0|1,0,0]=3 5180 B12R1.69 C=CCOc1cnc(cc1C)F 34a_100009856773_100015514636 [0,2,0,0,0,0|1,0,0]=3 5181 B12R1.69 C=CCOc1cnc(cc1C)F 7a_100009856773_100015514636 [0,2,0,0,0,0|1,0,0]=3 5182 B12R1.69 C=CCOc1cnc(cc1Cl)Cl 34a_100009868576_100015514636 [0,2,0,0,0,0|1,0,0]=3 5183 B12R1.69 C=CCOc1cnc(cc1Cl)Cl 7a_100009868576_100015514636 [0,2,0,0,0,0|1,0,0]=3 5184 B12R1.69 C=CCOc1cnc(cc1F)F 34a_100009885687_100015514636 [0,2,0,0,0,0|1,0,0]=3 5185 B12R1.69 C=CCOc1cnc(cc1F)F 7a_100009885687_100015514636 [0,2,0,0,0,0|1,0,0]=3 5186 B12R1.69 C=CCOc1cnc(cc1I)Cl 34a_100000698892_100015514636 [0,2,0,0,0,0|1,0,0]=3 5187 B12R1.69 C=CCOc1cnc(cc1I)Cl 7a_100000698892_100015514636 [0,2,0,0,0,0|1,0,0]=3 5188 B12R1.69 C=CCOc1cnc(cc1N)Br 34a_100009819941_100015514636 [0,2,0,0,0,0|1,0,0]=3 5189 B12R1.69 C=CCOc1cnc(cc1N)Br 7a_100009819941_100015514636 [0,2,0,0,0,0|1,0,0]=3 5190 B12R1.69 C=CCOc1cnc(nc1C)C 34a_100009864123_100015514636 [0,2,0,0,0,0|2,0,0]=4 5191 B12R1.69 C=CCOc1cnc(nc1C)C 7a_100009864123_100015514636 [0,2,0,0,0,0|2,0,0]=4 5192 B12R1.69 C=CCOc1cnc(nc1Cl)Cl 34a_100010725077_100015514636 [0,2,0,0,0,0|2,0,0]=4 5193 B12R1.69 C=CCOc1cnc(nc1Cl)Cl 7a_100010725077_100015514636 [0,2,0,0,0,0|2,0,0]=4 5194 B12R1.69 C=CCOc1cnc(nc1N)N 7a_100025726691_100015514636 [0,2,0,0,0,0|2,0,0]=4 5195 B12R1.69 C=CCOc1coc(cc1=O)C 34a_100000081520_100015514636 [0,2,0,0,0,0|1,0,0]=3 5196 B12R1.69 C=CCOc1ncc(cc1Br)Br 34a_100000701035_100015514636 [0,2,0,0,0,0|1,0,0]=3 5197 B12R1.69 C=CCOc1ncc(cc1Br)C 34a_100000719714_100015514636 [0,2,0,0,0,0|1,0,0]=3 5198 B12R1.69 C=CCOc1ncc(cc1C)Br 34a_100000685391_100015514636 [0,2,0,0,0,0|1,0,0]=3 5199 B12R1.69 C=CCOc1ncc(cc1Cl)Br 34a_100012339560_100015514636 [0,2,0,0,0,0|1,0,0]=3 5200 B12R1.69 C=CCOc1ncc(cc1Cl)F 34a_100009847679_100015514636 [0,2,0,0,0,0|1,0,0]=3 5201 B12R1.69 C=CCOc1ncc(cc1F)Cl 34a_100011998252_100015514636 [0,2,0,0,0,0|1,0,0]=3 5202 B12R1.69 C=CCOc1ncc(cc1F)F 34a_100012025737_100015514636 [0,2,0,0,0,0|1,0,0]=3 5203 B12R1.69 C=CCOc1ncc(cc1N)Br 34a_100000743729_100015514636 [0,2,0,0,0,0|1,0,0]=3 5204 B12R1.69 C=CCOc1ncc(cc1N)C 34a_100012000488_100015514636 [0,2,0,0,0,0|1,0,0]=3 5205 B12R1.69 C=CCOc1ncc(cc1N)Cl 34a_100011998249_100015514636 [0,2,0,0,0,0|1,0,0]=3 5206 B12R1.69 C=CCOc1ncc(nc1Cl)Br 34a_100010734560_100015514636 [0,2,0,0,0,0|2,0,0]=4 5207 B12R1.69 C=CCSc1c[nH]c(=O)cc1F 62a_100000210623_100015631685 [0,2,0,0,0,0|1,1,0]=4 5208 B12R1.69 C=CCSc1c[nH]c(=O)cc1F 62a_100015631685_100000210623 [0,2,0,0,0,0|1,1,0]=4 5209 B12R1.69 C=CCSc1cc[n+](cc1C)[O-] 62a_100000210623_100000074940 [0,2,0,0,0,0|1,1,0]=4 5210 B12R1.69 C=CCSc1ccc(=O)[nH]c1N 62a_100009884077_100000210623 [0,2,0,0,0,0|1,1,0]=4 5211 B12R1.69 C=CCSc1ccc(c[n+]1[O-])C 62a_100000210623_100009819918 [0,2,0,0,0,0|1,1,0]=4 5212 B12R1.69 C=CCSc1ccc(c[n+]1[O-])F 62a_100000210623_100009817261 [0,2,0,0,0,0|1,1,0]=4 5213 B12R1.69 C=CCSc1ccc(c[n+]1[O-])F 62a_100009817261_100000210623 [0,2,0,0,0,0|1,1,0]=4 5214 B12R1.69 C=CCSc1ccc(cc1Br)Br 62a_100000210623_100011484698 [0,2,0,0,0,0|0,1,0]=3 5215 B12R1.69 C=CCSc1ccc(cc1Br)Br 62a_100011484698_100000210623 [0,2,0,0,0,0|0,1,0]=3 5216 B12R1.69 C=CCSc1ccc(cc1Br)C 62a_100000210623_100009813563 [0,2,0,0,0,0|0,1,0]=3 5217 B12R1.69 C=CCSc1ccc(cc1Br)C 62a_100009813563_100000210623 [0,2,0,0,0,0|0,1,0]=3 5218 B12R1.69 C=CCSc1ccc(cc1Br)Cl 62a_100000210623_100011219703 [0,2,0,0,0,0|0,1,0]=3 5219 B12R1.69 C=CCSc1ccc(cc1Br)Cl 62a_100011219703_100000210623 [0,2,0,0,0,0|0,1,0]=3 5220 B12R1.69 C=CCSc1ccc(cc1Br)F 62a_100000210623_100011217111 [0,2,0,0,0,0|0,1,0]=3 5221 B12R1.69 C=CCSc1ccc(cc1Br)F 62a_100011217111_100000210623 [0,2,0,0,0,0|0,1,0]=3 5222 B12R1.69 C=CCSc1ccc(cc1Br)N 62a_100000210623_100000750458 [0,2,0,0,0,0|0,1,0]=3 5223 B12R1.69 C=CCSc1ccc(cc1Br)N 62a_100000750458_100000210623 [0,2,0,0,0,0|0,1,0]=3 5224 B12R1.69 C=CCSc1ccc(cc1Br)O 62a_100000210623_100000701344 [0,2,0,0,0,0|0,1,0]=3 5225 B12R1.69 C=CCSc1ccc(cc1Br)O 62a_100000701344_100000210623 [0,2,0,0,0,0|0,1,0]=3 5226 B12R1.69 C=CCSc1ccc(cc1C)Br 62a_100000210623_100000701812 [0,2,0,0,0,0|0,1,0]=3 5227 B12R1.69 C=CCSc1ccc(cc1C)Br 62a_100000701812_100000210623 [0,2,0,0,0,0|0,1,0]=3 5228 B12R1.69 C=CCSc1ccc(cc1C)C 62a_100000210623_100011217332 [0,2,0,0,0,0|0,1,0]=3 5229 B12R1.69 C=CCSc1ccc(cc1C)C 62a_100011217332_100000210623 [0,2,0,0,0,0|0,1,0]=3 5230 B12R1.69 C=CCSc1ccc(cc1C)Cl 62a_100000210623_100011219607 [0,2,0,0,0,0|0,1,0]=3 5231 B12R1.69 C=CCSc1ccc(cc1C)Cl 62a_100011219607_100000210623 [0,2,0,0,0,0|0,1,0]=3 5232 B12R1.69 C=CCSc1ccc(cc1C)F 62a_100000210623_100011205405 [0,2,0,0,0,0|0,1,0]=3 5233 B12R1.69 C=CCSc1ccc(cc1C)F 62a_100011205405_100000210623 [0,2,0,0,0,0|0,1,0]=3 5234 B12R1.69 C=CCSc1ccc(cc1C)N 62a_100000210623_100000210723 [0,2,0,0,0,0|0,1,0]=3 5235 B12R1.69 C=CCSc1ccc(cc1C)N 62a_100000210723_100000210623 [0,2,0,0,0,0|0,1,0]=3 5236 B12R1.69 C=CCSc1ccc(cc1C)O 62a_100000210623_100000690111 [0,2,0,0,0,0|0,1,0]=3 5237 B12R1.69 C=CCSc1ccc(cc1Cl)Br 62a_100000210623_100011216062 [0,2,0,0,0,0|0,1,0]=3 5238 B12R1.69 C=CCSc1ccc(cc1Cl)Br 62a_100011216062_100000210623 [0,2,0,0,0,0|0,1,0]=3 5239 B12R1.69 C=CCSc1ccc(cc1Cl)C 62a_100000210623_100011263221 [0,2,0,0,0,0|0,1,0]=3 5240 B12R1.69 C=CCSc1ccc(cc1Cl)C 62a_100011263221_100000210623 [0,2,0,0,0,0|0,1,0]=3 5241 B12R1.69 C=CCSc1ccc(cc1Cl)Cl 62a_100000210623_100000699841 [0,2,0,0,0,0|0,1,0]=3 5242 B12R1.69 C=CCSc1ccc(cc1Cl)Cl 62a_100000699841_100000210623 [0,2,0,0,0,0|0,1,0]=3 5243 B12R1.69 C=CCSc1ccc(cc1Cl)F 62a_100000210623_100000733362 [0,2,0,0,0,0|0,1,0]=3 5244 B12R1.69 C=CCSc1ccc(cc1Cl)F 62a_100000733362_100000210623 [0,2,0,0,0,0|0,1,0]=3 5245 B12R1.69 C=CCSc1ccc(cc1Cl)N 62a_100000210623_100000761885 [0,2,0,0,0,0|0,1,0]=3 5246 B12R1.69 C=CCSc1ccc(cc1Cl)N 62a_100000761885_100000210623 [0,2,0,0,0,0|0,1,0]=3 5247 B12R1.69 C=CCSc1ccc(cc1Cl)O 62a_100000047559_100000210623 [0,2,0,0,0,0|0,1,0]=3 5248 B12R1.69 C=CCSc1ccc(cc1Cl)O 62a_100000210623_100000047559 [0,2,0,0,0,0|0,1,0]=3 5249 B12R1.69 C=CCSc1ccc(cc1F)Br 62a_100000210623_100009814013 [0,2,0,0,0,0|0,1,0]=3 5250 B12R1.69 C=CCSc1ccc(cc1F)Br 62a_100009814013_100000210623 [0,2,0,0,0,0|0,1,0]=3 5251 B12R1.69 C=CCSc1ccc(cc1F)C 62a_100000210623_100011216119 [0,2,0,0,0,0|0,1,0]=3 5252 B12R1.69 C=CCSc1ccc(cc1F)C 62a_100011216119_100000210623 [0,2,0,0,0,0|0,1,0]=3 5253 B12R1.69 C=CCSc1ccc(cc1F)Cl 62a_100000210623_100011216042 [0,2,0,0,0,0|0,1,0]=3 5254 B12R1.69 C=CCSc1ccc(cc1F)Cl 62a_100011216042_100000210623 [0,2,0,0,0,0|0,1,0]=3 5255 B12R1.69 C=CCSc1ccc(cc1F)F 62a_100000210623_100000750030 [0,2,0,0,0,0|0,1,0]=3 5256 B12R1.69 C=CCSc1ccc(cc1F)F 62a_100000750030_100000210623 [0,2,0,0,0,0|0,1,0]=3 5257 B12R1.69 C=CCSc1ccc(cc1F)N 62a_100000210623_100011356925 [0,2,0,0,0,0|0,1,0]=3 5258 B12R1.69 C=CCSc1ccc(cc1F)N 62a_100011356925_100000210623 [0,2,0,0,0,0|0,1,0]=3 5259 B12R1.69 C=CCSc1ccc(cc1F)O 62a_100000210623_100000755031 [0,2,0,0,0,0|0,1,0]=3 5260 B12R1.69 C=CCSc1ccc(cc1F)O 62a_100000755031_100000210623 [0,2,0,0,0,0|0,1,0]=3 5261 B12R1.69 C=CCSc1ccc(cc1N)Br 62a_100000210623_100000743836 [0,2,0,0,0,0|0,1,0]=3 5262 B12R1.69 C=CCSc1ccc(cc1N)Br 62a_100000743836_100000210623 [0,2,0,0,0,0|0,1,0]=3 5263 B12R1.69 C=CCSc1ccc(cc1N)C 62a_100000210623_100011216686 [0,2,0,0,0,0|0,1,0]=3 5264 B12R1.69 C=CCSc1ccc(cc1N)C 62a_100011216686_100000210623 [0,2,0,0,0,0|0,1,0]=3 5265 B12R1.69 C=CCSc1ccc(cc1N)Cl 62a_100000210623_100000761886 [0,2,0,0,0,0|0,1,0]=3 5266 B12R1.69 C=CCSc1ccc(cc1N)Cl 62a_100000761886_100000210623 [0,2,0,0,0,0|0,1,0]=3 5267 B12R1.69 C=CCSc1ccc(cc1N)F 62a_100000210623_100000687223 [0,2,0,0,0,0|0,1,0]=3 5268 B12R1.69 C=CCSc1ccc(cc1N)F 62a_100000687223_100000210623 [0,2,0,0,0,0|0,1,0]=3 5269 B12R1.69 C=CCSc1ccc(cc1N)N 62a_100000210623_200012175722 [0,2,0,0,0,0|0,1,0]=3 5270 B12R1.69 C=CCSc1ccc(cc1N)N 62a_200012175722_100000210623 [0,2,0,0,0,0|0,1,0]=3 5271 B12R1.69 C=CCSc1ccc(cc1N)O 62a_100000210623_100011999798 [0,2,0,0,0,0|0,1,0]=3 5272 B12R1.69 C=CCSc1ccc(cc1N)O 62a_100011999798_100000210623 [0,2,0,0,0,0|0,1,0]=3 5273 B12R1.69 C=CCSc1ccc(cc1O)Br 62a_100000210623_100012344904 [0,2,0,0,0,0|0,1,0]=3 5274 B12R1.69 C=CCSc1ccc(cc1O)Br 62a_100012344904_100000210623 [0,2,0,0,0,0|0,1,0]=3 5275 B12R1.69 C=CCSc1ccc(cc1O)C 62a_100000210623_100012002257 [0,2,0,0,0,0|0,1,0]=3 5276 B12R1.69 C=CCSc1ccc(cc1O)C 62a_100012002257_100000210623 [0,2,0,0,0,0|0,1,0]=3 5277 B12R1.69 C=CCSc1ccc(cc1O)Cl 62a_100000050036_100000210623 [0,2,0,0,0,0|0,1,0]=3 5278 B12R1.69 C=CCSc1ccc(cc1O)Cl 62a_100000210623_100000050036 [0,2,0,0,0,0|0,1,0]=3 5279 B12R1.69 C=CCSc1ccc(cc1O)F 62a_100000210623_100000690578 [0,2,0,0,0,0|0,1,0]=3 5280 B12R1.69 C=CCSc1ccc(cc1O)F 62a_100000690578_100000210623 [0,2,0,0,0,0|0,1,0]=3 5281 B12R1.69 C=CCSc1ccc(cc1O)O 62a_100000210623_100009813921 [0,2,0,0,0,0|0,1,0]=3 5282 B12R1.69 C=CCSc1ccc(nc1Br)N 62a_100000210623_100010734177 [0,2,0,0,0,0|1,1,0]=4 5283 B12R1.69 C=CCSc1ccc(nc1Br)N 62a_100010734177_100000210623 [0,2,0,0,0,0|1,1,0]=4 5284 B12R1.69 C=CCSc1ccc(nc1C)C 62a_100000210623_100009813853 [0,2,0,0,0,0|1,1,0]=4 5285 B12R1.69 C=CCSc1ccc(nc1C)C 62a_100009813853_100000210623 [0,2,0,0,0,0|1,1,0]=4 5286 B12R1.69 C=CCSc1ccc(nc1C)Cl 62a_100000062408_100000210623 [0,2,0,0,0,0|1,1,0]=4 5287 B12R1.69 C=CCSc1ccc(nc1C)Cl 62a_100000210623_100000062408 [0,2,0,0,0,0|1,1,0]=4 5288 B12R1.69 C=CCSc1ccc(nc1C)F 62a_100000210623_100000688911 [0,2,0,0,0,0|1,1,0]=4 5289 B12R1.69 C=CCSc1ccc(nc1C)F 62a_100000688911_100000210623 [0,2,0,0,0,0|1,1,0]=4 5290 B12R1.69 C=CCSc1ccc(nc1C)N 62a_100000187202_100000210623 [0,2,0,0,0,0|1,1,0]=4 5291 B12R1.69 C=CCSc1ccc(nc1C)N 62a_100000210623_100000187202 [0,2,0,0,0,0|1,1,0]=4 5292 B12R1.69 C=CCSc1ccc(nc1C)O 62a_100000210623_100000691680 [0,2,0,0,0,0|1,1,0]=4 5293 B12R1.69 C=CCSc1ccc(nc1C)O 62a_100000691680_100000210623 [0,2,0,0,0,0|1,1,0]=4 5294 B12R1.69 C=CCSc1ccc(nc1Cl)Br 62a_100000210623_100010246183 [0,2,0,0,0,0|1,1,0]=4 5295 B12R1.69 C=CCSc1ccc(nc1Cl)Br 62a_100010246183_100000210623 [0,2,0,0,0,0|1,1,0]=4 5296 B12R1.69 C=CCSc1ccc(nc1Cl)Cl 62a_100000210623_100000043682 [0,2,0,0,0,0|1,1,0]=4 5297 B12R1.69 C=CCSc1ccc(nc1Cl)N 62a_100000210623_100010270343 [0,2,0,0,0,0|1,1,0]=4 5298 B12R1.69 C=CCSc1ccc(nc1Cl)N 62a_100010270343_100000210623 [0,2,0,0,0,0|1,1,0]=4 5299 B12R1.69 C=CCSc1ccc(nc1F)C 62a_100000210623_100010006597 [0,2,0,0,0,0|1,1,0]=4 5300 B12R1.69 C=CCSc1ccc(nc1F)C 62a_100010006597_100000210623 [0,2,0,0,0,0|1,1,0]=4 5301 B12R1.69 C=CCSc1ccc(nc1F)Cl 62a_100000210623_100010168078 [0,2,0,0,0,0|1,1,0]=4 5302 B12R1.69 C=CCSc1ccc(nc1F)Cl 62a_100010168078_100000210623 [0,2,0,0,0,0|1,1,0]=4 5303 B12R1.69 C=CCSc1ccc(nc1F)F 62a_100000070099_100000210623 [0,2,0,0,0,0|1,1,0]=4 5304 B12R1.69 C=CCSc1ccc(nc1F)F 62a_100000210623_100000070099 [0,2,0,0,0,0|1,1,0]=4 5305 B12R1.69 C=CCSc1ccc(nc1F)N 62a_100000210623_100009882772 [0,2,0,0,0,0|1,1,0]=4 5306 B12R1.69 C=CCSc1ccc(nc1F)N 62a_100009882772_100000210623 [0,2,0,0,0,0|1,1,0]=4 5307 B12R1.69 C=CCSc1ccc(nc1F)O 62a_100000210623_100009879308 [0,2,0,0,0,0|1,1,0]=4 5308 B12R1.69 C=CCSc1ccc(nc1F)O 62a_100009879308_100000210623 [0,2,0,0,0,0|1,1,0]=4 5309 B12R1.69 C=CCSc1ccc(nc1N)C 62a_100000210623_100009816662 [0,2,0,0,0,0|1,1,0]=4 5310 B12R1.69 C=CCSc1ccc(nc1N)C 62a_100009816662_100000210623 [0,2,0,0,0,0|1,1,0]=4 5311 B12R1.69 C=CCSc1ccc(nc1N)Cl 62a_100000210623_100010171640 [0,2,0,0,0,0|1,1,0]=4 5312 B12R1.69 C=CCSc1ccc(nc1N)Cl 62a_100010171640_100000210623 [0,2,0,0,0,0|1,1,0]=4 5313 B12R1.69 C=CCSc1ccc(nc1N)F 62a_100000210623_100009854977 [0,2,0,0,0,0|1,1,0]=4 5314 B12R1.69 C=CCSc1ccc(nc1N)F 62a_100009854977_100000210623 [0,2,0,0,0,0|1,1,0]=4 5315 B12R1.69 C=CCSc1ccc(nc1N)N 62a_100011356871_100000210623 [0,2,0,0,0,0|1,1,0]=4 5316 B12R1.69 C=CCSc1ccc(nc1O)C 62a_100000210623_100009817604 [0,2,0,0,0,0|1,1,0]=4 5317 B12R1.69 C=CCSc1ccc(nc1O)C 62a_100009817604_100000210623 [0,2,0,0,0,0|1,1,0]=4 5318 B12R1.69 C=CCSc1cnc(cc1Br)F 62a_100000210623_100015451857 [0,2,0,0,0,0|1,1,0]=4 5319 B12R1.69 C=CCSc1cnc(cc1Br)F 62a_100015451857_100000210623 [0,2,0,0,0,0|1,1,0]=4 5320 B12R1.69 C=CCSc1cnc(cc1Br)N 62a_100000210623_100010074611 [0,2,0,0,0,0|1,1,0]=4 5321 B12R1.69 C=CCSc1cnc(cc1Br)N 62a_100010074611_100000210623 [0,2,0,0,0,0|1,1,0]=4 5322 B12R1.69 C=CCSc1cnc(cc1C)Br 62a_100000210623_100009816104 [0,2,0,0,0,0|1,1,0]=4 5323 B12R1.69 C=CCSc1cnc(cc1C)Br 62a_100009816104_100000210623 [0,2,0,0,0,0|1,1,0]=4 5324 B12R1.69 C=CCSc1cnc(cc1C)C 62a_100000210623_100009819613 [0,2,0,0,0,0|1,1,0]=4 5325 B12R1.69 C=CCSc1cnc(cc1C)C 62a_100009819613_100000210623 [0,2,0,0,0,0|1,1,0]=4 5326 B12R1.69 C=CCSc1cnc(cc1C)Cl 62a_100000210623_100010172789 [0,2,0,0,0,0|1,1,0]=4 5327 B12R1.69 C=CCSc1cnc(cc1C)Cl 62a_100010172789_100000210623 [0,2,0,0,0,0|1,1,0]=4 5328 B12R1.69 C=CCSc1cnc(cc1C)F 62a_100000210623_100009820716 [0,2,0,0,0,0|1,1,0]=4 5329 B12R1.69 C=CCSc1cnc(cc1C)F 62a_100009820716_100000210623 [0,2,0,0,0,0|1,1,0]=4 5330 B12R1.69 C=CCSc1cnc(cc1C)N 62a_100000050067_100000210623 [0,2,0,0,0,0|1,1,0]=4 5331 B12R1.69 C=CCSc1cnc(cc1C)N 62a_100000210623_100000050067 [0,2,0,0,0,0|1,1,0]=4 5332 B12R1.69 C=CCSc1cnc(cc1C)O 62a_100000210623_100000766222 [0,2,0,0,0,0|1,1,0]=4 5333 B12R1.69 C=CCSc1cnc(cc1C)O 62a_100000766222_100000210623 [0,2,0,0,0,0|1,1,0]=4 5334 B12R1.69 C=CCSc1cnc(cc1Cl)Br 62a_100000210623_100010381092 [0,2,0,0,0,0|1,1,0]=4 5335 B12R1.69 C=CCSc1cnc(cc1Cl)Br 62a_100010381092_100000210623 [0,2,0,0,0,0|1,1,0]=4 5336 B12R1.69 C=CCSc1cnc(cc1Cl)Cl 62a_100000210623_100010200927 [0,2,0,0,0,0|1,1,0]=4 5337 B12R1.69 C=CCSc1cnc(cc1Cl)Cl 62a_100010200927_100000210623 [0,2,0,0,0,0|1,1,0]=4 5338 B12R1.69 C=CCSc1cnc(cc1Cl)N 62a_100000210623_100000694920 [0,2,0,0,0,0|1,1,0]=4 5339 B12R1.69 C=CCSc1cnc(cc1Cl)N 62a_100000694920_100000210623 [0,2,0,0,0,0|1,1,0]=4 5340 B12R1.69 C=CCSc1cnc(cc1F)Cl 62a_100000210623_100010128100 [0,2,0,0,0,0|1,1,0]=4 5341 B12R1.69 C=CCSc1cnc(cc1F)Cl 62a_100010128100_100000210623 [0,2,0,0,0,0|1,1,0]=4 5342 B12R1.69 C=CCSc1cnc(cc1F)N 62a_100000210623_100009844730 [0,2,0,0,0,0|1,1,0]=4 5343 B12R1.69 C=CCSc1cnc(cc1F)N 62a_100009844730_100000210623 [0,2,0,0,0,0|1,1,0]=4 5344 B12R1.69 C=CCSc1cnc(cc1N)C 62a_100000210623_100009817891 [0,2,0,0,0,0|1,1,0]=4 5345 B12R1.69 C=CCSc1cnc(cc1N)C 62a_100009817891_100000210623 [0,2,0,0,0,0|1,1,0]=4 5346 B12R1.69 C=CCSc1cnc(cc1N)Cl 62a_100000210623_100010209552 [0,2,0,0,0,0|1,1,0]=4 5347 B12R1.69 C=CCSc1cnc(cc1N)Cl 62a_100010209552_100000210623 [0,2,0,0,0,0|1,1,0]=4 5348 B12R1.69 C=CCSc1cnc(cc1N)N 62a_100000210623_200009857908 [0,2,0,0,0,0|1,1,0]=4 5349 B12R1.69 C=CCSc1cnc(cc1N)N 62a_200009857908_100000210623 [0,2,0,0,0,0|1,1,0]=4 5350 B12R1.69 C=CCSc1cnc(cc1O)C 62a_100000210623_100011016184 [0,2,0,0,0,0|1,1,0]=4 5351 B12R1.69 C=CCSc1cnc(cc1O)C 62a_100011016184_100000210623 [0,2,0,0,0,0|1,1,0]=4 5352 B12R1.69 C=CCSc1ncc(cc1Br)Cl 62a_100000210623_100012154958 [0,2,0,0,0,0|1,1,0]=4 5353 B12R1.69 C=CCSc1ncc(cc1Br)Cl 62a_100012154958_100000210623 [0,2,0,0,0,0|1,1,0]=4 5354 B12R1.69 C=CCSc1ncc(cc1C)Br 62a_100000210623_100012353652 [0,2,0,0,0,0|1,1,0]=4 5355 B12R1.69 C=CCSc1ncc(cc1C)Br 62a_100012353652_100000210623 [0,2,0,0,0,0|1,1,0]=4 5356 B12R1.69 C=CCSc1ncc(cc1C)C 62a_100000210623_100009864548 [0,2,0,0,0,0|1,1,0]=4 5357 B12R1.69 C=CCSc1ncc(cc1C)C 62a_100009864548_100000210623 [0,2,0,0,0,0|1,1,0]=4 5358 B12R1.69 C=CCSc1ncc(cc1C)F 62a_100000210623_100009817009 [0,2,0,0,0,0|1,1,0]=4 5359 B12R1.69 C=CCSc1ncc(cc1C)F 62a_100009817009_100000210623 [0,2,0,0,0,0|1,1,0]=4 5360 B12R1.69 C=CCSc1ncc(cc1C)N 62a_100000210623_100000761747 [0,2,0,0,0,0|1,1,0]=4 5361 B12R1.69 C=CCSc1ncc(cc1C)N 62a_100000761747_100000210623 [0,2,0,0,0,0|1,1,0]=4 5362 B12R1.69 C=CCSc1ncc(cc1C)O 62a_100000210623_100012000486 [0,2,0,0,0,0|1,1,0]=4 5363 B12R1.69 C=CCSc1ncc(cc1C)O 62a_100012000486_100000210623 [0,2,0,0,0,0|1,1,0]=4 5364 B12R1.69 C=CCSc1ncc(cc1F)Br 62a_100000210623_100012348576 [0,2,0,0,0,0|1,1,0]=4 5365 B12R1.69 C=CCSc1ncc(cc1F)Br 62a_100012348576_100000210623 [0,2,0,0,0,0|1,1,0]=4 5366 B12R1.69 C=CCSc1ncc(cc1F)C 62a_100000210623_100009819633 [0,2,0,0,0,0|1,1,0]=4 5367 B12R1.69 C=CCSc1ncc(cc1F)C 62a_100009819633_100000210623 [0,2,0,0,0,0|1,1,0]=4 5368 B12R1.69 C=CCSc1ncc(cc1F)Cl 62a_100000210623_100012348686 [0,2,0,0,0,0|1,1,0]=4 5369 B12R1.69 C=CCSc1ncc(cc1F)Cl 62a_100012348686_100000210623 [0,2,0,0,0,0|1,1,0]=4 5370 B12R1.69 C=CCSc1ncc(cc1F)F 62a_100000210623_100011219543 [0,2,0,0,0,0|1,1,0]=4 5371 B12R1.69 C=CCSc1ncc(cc1F)F 62a_100011219543_100000210623 [0,2,0,0,0,0|1,1,0]=4 5372 B12R1.69 C=CCSc1ncc(cc1F)N 62a_100000210623_100010280766 [0,2,0,0,0,0|1,1,0]=4 5373 B12R1.69 C=CCSc1ncc(cc1F)N 62a_100010280766_100000210623 [0,2,0,0,0,0|1,1,0]=4 5374 B12R1.69 C=CCSc1ncc(cc1F)O 62a_100000210623_100000063512 [0,2,0,0,0,0|1,1,0]=4 5375 B12R1.69 C=CCSc1ncc(cc1N)Br 62a_100000210623_100010090555 [0,2,0,0,0,0|1,1,0]=4 5376 B12R1.69 C=CCSc1ncc(cc1N)Br 62a_100010090555_100000210623 [0,2,0,0,0,0|1,1,0]=4 5377 B12R1.69 C=CCSc1ncc(cc1N)C 62a_100000210623_100000733613 [0,2,0,0,0,0|1,1,0]=4 5378 B12R1.69 C=CCSc1ncc(cc1N)C 62a_100000733613_100000210623 [0,2,0,0,0,0|1,1,0]=4 5379 B12R1.69 C=CCSc1ncc(cc1N)F 62a_100000210623_100009817643 [0,2,0,0,0,0|1,1,0]=4 5380 B12R1.69 C=CCSc1ncc(cc1N)F 62a_100009817643_100000210623 [0,2,0,0,0,0|1,1,0]=4 5381 B12R1.69 C=CCSc1ncc(cc1N)N 62a_100000210623_200000093520 [0,2,0,0,0,0|1,1,0]=4 5382 B12R1.69 C=CCSc1ncc(cc1N)N 62a_200000093520_100000210623 [0,2,0,0,0,0|1,1,0]=4 5383 B12R1.69 C=CCSc1ncc(cc1O)Br 62a_100000210623_100010210634 [0,2,0,0,0,0|1,1,0]=4 5384 B12R1.69 C=CCSc1ncc(cc1O)Br 62a_100010210634_100000210623 [0,2,0,0,0,0|1,1,0]=4 5385 B12R1.69 C=CCSc1ncc(cc1O)C 62a_100000210623_100012000487 [0,2,0,0,0,0|1,1,0]=4 5386 B12R1.69 C=CCSc1ncc(cc1O)Cl 62a_100000210623_100010233512 [0,2,0,0,0,0|1,1,0]=4 5387 B12R1.69 C=CCSc1ncc(cc1O)Cl 62a_100010233512_100000210623 [0,2,0,0,0,0|1,1,0]=4 5388 B12R1.69 C=CCSc1ncc(cc1O)F 62a_100000210623_100000079967 [0,2,0,0,0,0|1,1,0]=4 5389 B12R1.69 C=CCSc1ncc(cc1O)F 62a_100009820119_100000210623 [0,2,0,0,0,0|1,1,0]=4 5390 B12R1.69 CCCOc1ccc(cc1Br)Br 34a_100000188717_100000210303 [0,2,0,0,0,0|0,0,2]=4 5391 B12R1.69 CCCOc1ccc(cc1Br)Br 7a_100000188717_100000210303 [0,2,0,0,0,0|0,0,2]=4 5392 B12R1.69 CCCOc1ccc(cc1Br)C 34a_100000210800_100000210303 [0,2,0,0,0,0|0,0,2]=4 5393 B12R1.69 CCCOc1ccc(cc1Br)C 7a_100000210800_100000210303 [0,2,0,0,0,0|0,0,2]=4 5394 B12R1.69 CCCOc1ccc(cc1Br)Cl 34a_100000211998_100000210303 [0,2,0,0,0,0|0,0,2]=4 5395 B12R1.69 CCCOc1ccc(cc1Br)Cl 7a_100000211998_100000210303 [0,2,0,0,0,0|0,0,2]=4 5396 B12R1.69 CCCOc1ccc(cc1Br)F 34a_100000211999_100000210303 [0,2,0,0,0,0|0,0,2]=4 5397 B12R1.69 CCCOc1ccc(cc1Br)F 7a_100000211999_100000210303 [0,2,0,0,0,0|0,0,2]=4 5398 B12R1.69 CCCOc1ccc(cc1Br)I 34a_100012361655_100000210303 [0,2,0,0,0,0|0,0,2]=4 5399 B12R1.69 CCCOc1ccc(cc1Br)I 7a_100012361655_100000210303 [0,2,0,0,0,0|0,0,2]=4 5400 B12R1.69 CCCOc1ccc(cc1Br)N 34a_100011534360_100000210303 [0,2,0,0,0,0|0,0,2]=4 5401 B12R1.69 CCCOc1ccc(cc1Br)N 7a_100011534360_100000210303 [0,2,0,0,0,0|0,0,2]=4 5402 B12R1.69 CCCOc1ccc(cc1C)Br 34a_100000186361_100000210303 [0,2,0,0,0,0|0,0,2]=4 5403 B12R1.69 CCCOc1ccc(cc1C)Br 7a_100000186361_100000210303 [0,2,0,0,0,0|0,0,2]=4 5404 B12R1.69 CCCOc1ccc(cc1C)C 34a_100000211776_100000210303 [0,2,0,0,0,0|0,0,2]=4 5405 B12R1.69 CCCOc1ccc(cc1C)C 7a_100000211776_100000210303 [0,2,0,0,0,0|0,0,2]=4 5406 B12R1.69 CCCOc1ccc(cc1C)Cl 34a_100000211091_100000210303 [0,2,0,0,0,0|0,0,2]=4 5407 B12R1.69 CCCOc1ccc(cc1C)Cl 7a_100000211091_100000210303 [0,2,0,0,0,0|0,0,2]=4 5408 B12R1.69 CCCOc1ccc(cc1C)F 34a_100000764316_100000210303 [0,2,0,0,0,0|0,0,2]=4 5409 B12R1.69 CCCOc1ccc(cc1C)F 7a_100000764316_100000210303 [0,2,0,0,0,0|0,0,2]=4 5410 B12R1.69 CCCOc1ccc(cc1C)I 34a_100011218673_100000210303 [0,2,0,0,0,0|0,0,2]=4 5411 B12R1.69 CCCOc1ccc(cc1C)I 7a_100011218673_100000210303 [0,2,0,0,0,0|0,0,2]=4 5412 B12R1.69 CCCOc1ccc(cc1C)N 34a_100011218179_100000210303 [0,2,0,0,0,0|0,0,2]=4 5413 B12R1.69 CCCOc1ccc(cc1C)N 7a_100011218179_100000210303 [0,2,0,0,0,0|0,0,2]=4 5414 B12R1.69 CCCOc1ccc(cc1Cl)Br 34a_100000186472_100000210303 [0,2,0,0,0,0|0,0,2]=4 5415 B12R1.69 CCCOc1ccc(cc1Cl)Br 7a_100000186472_100000210303 [0,2,0,0,0,0|0,0,2]=4 5416 B12R1.69 CCCOc1ccc(cc1Cl)C 34a_100000749699_100000210303 [0,2,0,0,0,0|0,0,2]=4 5417 B12R1.69 CCCOc1ccc(cc1Cl)C 7a_100000749699_100000210303 [0,2,0,0,0,0|0,0,2]=4 5418 B12R1.69 CCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000210303 [0,2,0,0,0,0|0,0,2]=4 5419 B12R1.69 CCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000210303 [0,2,0,0,0,0|0,0,2]=4 5420 B12R1.69 CCCOc1ccc(cc1Cl)F 34a_100000212004_100000210303 [0,2,0,0,0,0|0,0,2]=4 5421 B12R1.69 CCCOc1ccc(cc1Cl)F 7a_100000212004_100000210303 [0,2,0,0,0,0|0,0,2]=4 5422 B12R1.69 CCCOc1ccc(cc1Cl)I 34a_100012360047_100000210303 [0,2,0,0,0,0|0,0,2]=4 5423 B12R1.69 CCCOc1ccc(cc1Cl)I 7a_100012360047_100000210303 [0,2,0,0,0,0|0,0,2]=4 5424 B12R1.69 CCCOc1ccc(cc1Cl)N 34a_100000744943_100000210303 [0,2,0,0,0,0|0,0,2]=4 5425 B12R1.69 CCCOc1ccc(cc1Cl)N 7a_100000744943_100000210303 [0,2,0,0,0,0|0,0,2]=4 5426 B12R1.69 CCCOc1ccc(cc1F)Br 34a_100000185481_100000210303 [0,2,0,0,0,0|0,0,2]=4 5427 B12R1.69 CCCOc1ccc(cc1F)Br 7a_100000185481_100000210303 [0,2,0,0,0,0|0,0,2]=4 5428 B12R1.69 CCCOc1ccc(cc1F)C 34a_100011216688_100000210303 [0,2,0,0,0,0|0,0,2]=4 5429 B12R1.69 CCCOc1ccc(cc1F)C 7a_100011216688_100000210303 [0,2,0,0,0,0|0,0,2]=4 5430 B12R1.69 CCCOc1ccc(cc1F)Cl 34a_100000230166_100000210303 [0,2,0,0,0,0|0,0,2]=4 5431 B12R1.69 CCCOc1ccc(cc1F)Cl 7a_100000230166_100000210303 [0,2,0,0,0,0|0,0,2]=4 5432 B12R1.69 CCCOc1ccc(cc1F)F 34a_100000230127_100000210303 [0,2,0,0,0,0|0,0,2]=4 5433 B12R1.69 CCCOc1ccc(cc1F)F 7a_100000230127_100000210303 [0,2,0,0,0,0|0,0,2]=4 5434 B12R1.69 CCCOc1ccc(cc1F)I 34a_100011356965_100000210303 [0,2,0,0,0,0|0,0,2]=4 5435 B12R1.69 CCCOc1ccc(cc1F)I 7a_100011356965_100000210303 [0,2,0,0,0,0|0,0,2]=4 5436 B12R1.69 CCCOc1ccc(cc1F)N 34a_100011220035_100000210303 [0,2,0,0,0,0|0,0,2]=4 5437 B12R1.69 CCCOc1ccc(cc1F)N 7a_100011220035_100000210303 [0,2,0,0,0,0|0,0,2]=4 5438 B12R1.69 CCCOc1ccc(cc1I)Br 34a_100012355227_100000210303 [0,2,0,0,0,0|0,0,2]=4 5439 B12R1.69 CCCOc1ccc(cc1I)Br 7a_100012355227_100000210303 [0,2,0,0,0,0|0,0,2]=4 5440 B12R1.69 CCCOc1ccc(cc1I)C 34a_100000765521_100000210303 [0,2,0,0,0,0|0,0,2]=4 5441 B12R1.69 CCCOc1ccc(cc1I)C 7a_100000765521_100000210303 [0,2,0,0,0,0|0,0,2]=4 5442 B12R1.69 CCCOc1ccc(cc1I)Cl 34a_100011356953_100000210303 [0,2,0,0,0,0|0,0,2]=4 5443 B12R1.69 CCCOc1ccc(cc1I)Cl 7a_100011356953_100000210303 [0,2,0,0,0,0|0,0,2]=4 5444 B12R1.69 CCCOc1ccc(cc1I)F 34a_100012355409_100000210303 [0,2,0,0,0,0|0,0,2]=4 5445 B12R1.69 CCCOc1ccc(cc1I)F 7a_100012355409_100000210303 [0,2,0,0,0,0|0,0,2]=4 5446 B12R1.69 CCCOc1ccc(cc1I)I 7a_100010001573_100000210303 [0,2,0,0,0,0|0,0,2]=4 5447 B12R1.69 CCCOc1ccc(cc1N)Br 34a_100000752626_100000210303 [0,2,0,0,0,0|0,0,2]=4 5448 B12R1.69 CCCOc1ccc(cc1N)Br 7a_100000752626_100000210303 [0,2,0,0,0,0|0,0,2]=4 5449 B12R1.69 CCCOc1ccc(cc1N)C 34a_100011215204_100000210303 [0,2,0,0,0,0|0,0,2]=4 5450 B12R1.69 CCCOc1ccc(cc1N)C 7a_100011215204_100000210303 [0,2,0,0,0,0|0,0,2]=4 5451 B12R1.69 CCCOc1ccc(cc1N)Cl 34a_100000210500_100000210303 [0,2,0,0,0,0|0,0,2]=4 5452 B12R1.69 CCCOc1ccc(cc1N)Cl 7a_100000210500_100000210303 [0,2,0,0,0,0|0,0,2]=4 5453 B12R1.69 CCCOc1ccc(cc1N)F 34a_100000759472_100000210303 [0,2,0,0,0,0|0,0,2]=4 5454 B12R1.69 CCCOc1ccc(cc1N)F 7a_100000759472_100000210303 [0,2,0,0,0,0|0,0,2]=4 5455 B12R1.69 CCCOc1ccc(cc1N)I 34a_100000753495_100000210303 [0,2,0,0,0,0|0,0,2]=4 5456 B12R1.69 CCCOc1ccc(cc1N)I 7a_100000753495_100000210303 [0,2,0,0,0,0|0,0,2]=4 5457 B12R1.69 CCCOc1ccc(cc1N)N 34a_100000725306_100000210303 [0,2,0,0,0,0|0,0,2]=4 5458 B12R1.69 CCCOc1ccc(cc1O)F 271570a_203496583355_200000171698 [0,2,0,0,0,0|0,0,2]=4 5459 B12R1.69 COCOc1ccc(cc1F)O 271570a_203496583355_100009812708 [0,2,0,0,0,0|1,0,1]=4 5460 B12R1.69 COCOc1ccc(cc1O)C 271570a_203496583355_100012265689 [0,2,0,0,0,0|1,0,1]=4 5461 B12R1.69 CSCOc1ccc(cc1Br)Br 34a_100000188717_100011218213 [0,2,0,0,0,0|1,0,1]=4 5462 B12R1.69 CSCOc1ccc(cc1Br)C 34a_100000210800_100011218213 [0,2,0,0,0,0|1,0,1]=4 5463 B12R1.69 CSCOc1ccc(cc1Br)Cl 34a_100000211998_100011218213 [0,2,0,0,0,0|1,0,1]=4 5464 B12R1.69 CSCOc1ccc(cc1Br)F 34a_100000211999_100011218213 [0,2,0,0,0,0|1,0,1]=4 5465 B12R1.69 CSCOc1ccc(cc1Br)I 34a_100012361655_100011218213 [0,2,0,0,0,0|1,0,1]=4 5466 B12R1.69 CSCOc1ccc(cc1Br)N 34a_100011534360_100011218213 [0,2,0,0,0,0|1,0,1]=4 5467 B12R1.69 CSCOc1ccc(cc1C)Br 34a_100000186361_100011218213 [0,2,0,0,0,0|1,0,1]=4 5468 B12R1.69 CSCOc1ccc(cc1C)C 34a_100000211776_100011218213 [0,2,0,0,0,0|1,0,1]=4 5469 B12R1.69 CSCOc1ccc(cc1C)Cl 34a_100000211091_100011218213 [0,2,0,0,0,0|1,0,1]=4 5470 B12R1.69 CSCOc1ccc(cc1C)F 34a_100000764316_100011218213 [0,2,0,0,0,0|1,0,1]=4 5471 B12R1.69 CSCOc1ccc(cc1C)I 34a_100011218673_100011218213 [0,2,0,0,0,0|1,0,1]=4 5472 B12R1.69 CSCOc1ccc(cc1C)N 34a_100011218179_100011218213 [0,2,0,0,0,0|1,0,1]=4 5473 B12R1.69 CSCOc1ccc(cc1Cl)Br 34a_100000186472_100011218213 [0,2,0,0,0,0|1,0,1]=4 5474 B12R1.69 CSCOc1ccc(cc1Cl)C 34a_100000749699_100011218213 [0,2,0,0,0,0|1,0,1]=4 5475 B12R1.69 CSCOc1ccc(cc1Cl)Cl 34a_100015191787_100011218213 [0,2,0,0,0,0|1,0,1]=4 5476 B12R1.69 CSCOc1ccc(cc1Cl)F 34a_100000212004_100011218213 [0,2,0,0,0,0|1,0,1]=4 5477 B12R1.69 CSCOc1ccc(cc1Cl)I 34a_100012360047_100011218213 [0,2,0,0,0,0|1,0,1]=4 5478 B12R1.69 CSCOc1ccc(cc1Cl)N 34a_100000744943_100011218213 [0,2,0,0,0,0|1,0,1]=4 5479 B12R1.69 CSCOc1ccc(cc1F)Br 34a_100000185481_100011218213 [0,2,0,0,0,0|1,0,1]=4 5480 B12R1.69 CSCOc1ccc(cc1F)C 34a_100011216688_100011218213 [0,2,0,0,0,0|1,0,1]=4 5481 B12R1.69 CSCOc1ccc(cc1F)Cl 34a_100000230166_100011218213 [0,2,0,0,0,0|1,0,1]=4 5482 B12R1.69 CSCOc1ccc(cc1F)F 34a_100000230127_100011218213 [0,2,0,0,0,0|1,0,1]=4 5483 B12R1.69 CSCOc1ccc(cc1F)I 34a_100011356965_100011218213 [0,2,0,0,0,0|1,0,1]=4 5484 B12R1.69 CSCOc1ccc(cc1F)N 34a_100011220035_100011218213 [0,2,0,0,0,0|1,0,1]=4 5485 B12R1.69 CSCOc1ccc(cc1I)Br 34a_100012355227_100011218213 [0,2,0,0,0,0|1,0,1]=4 5486 B12R1.69 CSCOc1ccc(cc1I)C 34a_100000765521_100011218213 [0,2,0,0,0,0|1,0,1]=4 5487 B12R1.69 CSCOc1ccc(cc1I)Cl 34a_100011356953_100011218213 [0,2,0,0,0,0|1,0,1]=4 5488 B12R1.69 CSCOc1ccc(cc1I)F 34a_100012355409_100011218213 [0,2,0,0,0,0|1,0,1]=4 5489 B12R1.69 CSCOc1ccc(cc1N)Br 34a_100000752626_100011218213 [0,2,0,0,0,0|1,0,1]=4 5490 B12R1.69 CSCOc1ccc(cc1N)C 34a_100011215204_100011218213 [0,2,0,0,0,0|1,0,1]=4 5491 B12R1.69 CSCOc1ccc(cc1N)Cl 34a_100000210500_100011218213 [0,2,0,0,0,0|1,0,1]=4 5492 B12R1.69 CSCOc1ccc(cc1N)F 34a_100000759472_100011218213 [0,2,0,0,0,0|1,0,1]=4 5493 B12R1.69 CSCOc1ccc(cc1N)I 34a_100000753495_100011218213 [0,2,0,0,0,0|1,0,1]=4 5494 B12R1.69 CSCOc1ccc(cc1N)N 34a_100000725306_100011218213 [0,2,0,0,0,0|1,0,1]=4 5495 B12R1.69 Cc1cc(=O)c(co1)OCC=O 34a_100000081520_200009817547 [0,2,0,0,0,0|2,0,0]=4 5496 B12R1.69 Cc1cc(c(cn1)OCC=O)Br 34a_100009843476_200009817547 [0,2,0,0,0,0|2,0,0]=4 5497 B12R1.69 Cc1cc(c(cn1)OCC=O)Br 7a_100009843476_200015260668 [0,2,0,0,0,0|2,0,0]=4 5498 B12R1.69 Cc1cc(c(cn1)OCC=O)C 34a_200000068632_200009817547 [0,2,0,0,0,0|2,0,0]=4 5499 B12R1.69 Cc1cc(c(cn1)OCC=O)C 7a_200000068632_200015260668 [0,2,0,0,0,0|2,0,0]=4 5500 B12R1.69 Cc1cc(ccc1NCC=O)Br 34a_100000211769_200009817547 [0,2,0,0,0,0|2,0,0]=4 5501 B12R1.69 Cc1cc(ccc1NCC=O)Br 7a_100000211769_200015260668 [0,2,0,0,0,0|2,0,0]=4 5502 B12R1.69 Cc1cc(ccc1NCC=O)Cl 34a_100000210418_200009817547 [0,2,0,0,0,0|2,0,0]=4 5503 B12R1.69 Cc1cc(ccc1NCC=O)Cl 7a_100000210418_200015260668 [0,2,0,0,0,0|2,0,0]=4 5504 B12R1.69 Cc1cc(ccc1NCC=O)F 34a_100000211637_200009817547 [0,2,0,0,0,0|2,0,0]=4 5505 B12R1.69 Cc1cc(ccc1NCC=O)F 7a_100000211637_200015260668 [0,2,0,0,0,0|2,0,0]=4 5506 B12R1.69 Cc1cc(ccc1NCC=O)I 34a_100000184554_200009817547 [0,2,0,0,0,0|2,0,0]=4 5507 B12R1.69 Cc1cc(ccc1NCC=O)I 7a_100000184554_200015260668 [0,2,0,0,0,0|2,0,0]=4 5508 B12R1.69 Cc1cc(ccc1NCC=O)O 34a_100000756630_200009817547 [0,2,0,0,0,0|2,0,0]=4 5509 B12R1.69 Cc1cc(ccc1OCC#N)Br 7a_100000186361_100011215382 [0,2,0,0,0,0|1,0,1]=4 5510 B12R1.69 Cc1cc(ccc1OCC#N)Cl 7a_100000211091_100011215382 [0,2,0,0,0,0|1,0,1]=4 5511 B12R1.69 Cc1cc(ccc1OCC#N)F 7a_100000764316_100011215382 [0,2,0,0,0,0|1,0,1]=4 5512 B12R1.69 Cc1cc(ccc1OCC#N)I 7a_100011218673_100011215382 [0,2,0,0,0,0|1,0,1]=4 5513 B12R1.69 Cc1cc(ccc1OCC#N)N 7a_100011218179_100011215382 [0,2,0,0,0,0|1,0,1]=4 5514 B12R1.69 Cc1cc(ccc1OCC=O)Br 34a_100000186361_200009817547 [0,2,0,0,0,0|1,0,0]=3 5515 B12R1.69 Cc1cc(ccc1OCC=O)Br 7a_100000186361_200015260668 [0,2,0,0,0,0|1,0,0]=3 5516 B12R1.69 Cc1cc(ccc1OCC=O)Cl 34a_100000211091_200009817547 [0,2,0,0,0,0|1,0,0]=3 5517 B12R1.69 Cc1cc(ccc1OCC=O)Cl 7a_100000211091_200015260668 [0,2,0,0,0,0|1,0,0]=3 5518 B12R1.69 Cc1cc(ccc1OCC=O)F 34a_100000764316_200009817547 [0,2,0,0,0,0|1,0,0]=3 5519 B12R1.69 Cc1cc(ccc1OCC=O)F 7a_100000764316_200015260668 [0,2,0,0,0,0|1,0,0]=3 5520 B12R1.69 Cc1cc(ccc1OCC=O)I 34a_100011218673_200009817547 [0,2,0,0,0,0|1,0,0]=3 5521 B12R1.69 Cc1cc(ccc1OCC=O)I 7a_100011218673_200015260668 [0,2,0,0,0,0|1,0,0]=3 5522 B12R1.69 Cc1cc(ccc1OCC=O)N 34a_100011218179_200009817547 [0,2,0,0,0,0|1,0,0]=3 5523 B12R1.69 Cc1cc(ccc1OCC=O)N 7a_100011218179_200015260668 [0,2,0,0,0,0|1,0,0]=3 5524 B12R1.69 Cc1cc(ccc1OCCF)Br 34a_100000186361_100011217306 [0,2,0,0,0,0|1,0,1]=4 5525 B12R1.69 Cc1cc(ccc1OCCF)Br 7a_100000186361_100011217306 [0,2,0,0,0,0|1,0,1]=4 5526 B12R1.69 Cc1cc(ccc1OCCF)Cl 34a_100000211091_100011217306 [0,2,0,0,0,0|1,0,1]=4 5527 B12R1.69 Cc1cc(ccc1OCCF)Cl 7a_100000211091_100011217306 [0,2,0,0,0,0|1,0,1]=4 5528 B12R1.69 Cc1cc(ccc1OCCF)F 34a_100000764316_100011217306 [0,2,0,0,0,0|1,0,1]=4 5529 B12R1.69 Cc1cc(ccc1OCCF)F 7a_100000764316_100011217306 [0,2,0,0,0,0|1,0,1]=4 5530 B12R1.69 Cc1cc(ccc1OCCF)I 34a_100011218673_100011217306 [0,2,0,0,0,0|1,0,1]=4 5531 B12R1.69 Cc1cc(ccc1OCCF)I 7a_100011218673_100011217306 [0,2,0,0,0,0|1,0,1]=4 5532 B12R1.69 Cc1cc(ccc1OCCF)N 34a_100011218179_100011217306 [0,2,0,0,0,0|1,0,1]=4 5533 B12R1.69 Cc1cc(ccc1OCCF)N 7a_100011218179_100011217306 [0,2,0,0,0,0|1,0,1]=4 5534 B12R1.69 Cc1cc(ccc1OCCO)Br 34a_100000186361_100000211926 [0,2,0,0,0,0|1,0,1]=4 5535 B12R1.69 Cc1cc(ccc1OCCO)Br 7a_100000186361_100000211926 [0,2,0,0,0,0|1,0,1]=4 5536 B12R1.69 Cc1cc(ccc1OCCO)Cl 34a_100000211091_100000211926 [0,2,0,0,0,0|1,0,1]=4 5537 B12R1.69 Cc1cc(ccc1OCCO)Cl 7a_100000211091_100000211926 [0,2,0,0,0,0|1,0,1]=4 5538 B12R1.69 Cc1cc(ccc1OCCO)F 34a_100000764316_100000211926 [0,2,0,0,0,0|1,0,1]=4 5539 B12R1.69 Cc1cc(ccc1OCCO)F 7a_100000764316_100000211926 [0,2,0,0,0,0|1,0,1]=4 5540 B12R1.69 Cc1cc(ccc1OCCO)I 34a_100011218673_100000211926 [0,2,0,0,0,0|1,0,1]=4 5541 B12R1.69 Cc1cc(ccc1OCCO)I 7a_100011218673_100000211926 [0,2,0,0,0,0|1,0,1]=4 5542 B12R1.69 Cc1cc(ccc1OCCO)N 34a_100011218179_100000211926 [0,2,0,0,0,0|1,0,1]=4 5543 B12R1.69 Cc1cc(ccc1OCCO)N 7a_100011218179_100000211926 [0,2,0,0,0,0|1,0,1]=4 5544 B12R1.69 Cc1cc(ccc1SCC=O)Br 62a_100000701812_200015260668 [0,2,0,0,0,0|1,1,0]=4 5545 B12R1.69 Cc1cc(ccc1SCC=O)Br 62a_200015260668_100000701812 [0,2,0,0,0,0|1,1,0]=4 5546 B12R1.69 Cc1cc(ccc1SCC=O)Cl 62a_100011219607_200015260668 [0,2,0,0,0,0|1,1,0]=4 5547 B12R1.69 Cc1cc(ccc1SCC=O)Cl 62a_200015260668_100011219607 [0,2,0,0,0,0|1,1,0]=4 5548 B12R1.69 Cc1cc(ccc1SCC=O)F 62a_100011205405_200015260668 [0,2,0,0,0,0|1,1,0]=4 5549 B12R1.69 Cc1cc(ccc1SCC=O)F 62a_200015260668_100011205405 [0,2,0,0,0,0|1,1,0]=4 5550 B12R1.69 Cc1cc(ccc1SCC=O)N 62a_100000210723_200015260668 [0,2,0,0,0,0|1,1,0]=4 5551 B12R1.69 Cc1cc(ccc1SCC=O)N 62a_200015260668_100000210723 [0,2,0,0,0,0|1,1,0]=4 5552 B12R1.69 Cc1cc(ccc1SCC=O)O 62a_200015260668_100000690111 [0,2,0,0,0,0|1,1,0]=4 5553 B12R1.69 Cc1cc(cnc1OCC=O)Br 34a_100000685391_200009817547 [0,2,0,0,0,0|2,0,0]=4 5554 B12R1.69 Cc1cc(ncc1OCC=O)Cl 34a_100000692680_200009817547 [0,2,0,0,0,0|2,0,0]=4 5555 B12R1.69 Cc1cc(ncc1OCC=O)Cl 7a_100000692680_200015260668 [0,2,0,0,0,0|2,0,0]=4 5556 B12R1.69 Cc1cc(ncc1OCC=O)F 34a_100009856773_200009817547 [0,2,0,0,0,0|2,0,0]=4 5557 B12R1.69 Cc1cc(ncc1OCC=O)F 7a_100009856773_200015260668 [0,2,0,0,0,0|2,0,0]=4 5558 B12R1.69 Cc1ccc(c(c1)Br)NCC=O 34a_100000210942_200009817547 [0,2,0,0,0,0|2,0,0]=4 5559 B12R1.69 Cc1ccc(c(c1)Br)OCC#N 7a_100000210800_100011215382 [0,2,0,0,0,0|1,0,1]=4 5560 B12R1.69 Cc1ccc(c(c1)Br)OCC=O 34a_100000210800_200009817547 [0,2,0,0,0,0|1,0,0]=3 5561 B12R1.69 Cc1ccc(c(c1)Br)OCC=O 7a_100000210800_200015260668 [0,2,0,0,0,0|1,0,0]=3 5562 B12R1.69 Cc1ccc(c(c1)Br)OCCF 34a_100000210800_100011217306 [0,2,0,0,0,0|1,0,1]=4 5563 B12R1.69 Cc1ccc(c(c1)Br)OCCF 7a_100000210800_100011217306 [0,2,0,0,0,0|1,0,1]=4 5564 B12R1.69 Cc1ccc(c(c1)Br)OCCO 34a_100000210800_100000211926 [0,2,0,0,0,0|1,0,1]=4 5565 B12R1.69 Cc1ccc(c(c1)Br)OCCO 7a_100000210800_100000211926 [0,2,0,0,0,0|1,0,1]=4 5566 B12R1.69 Cc1ccc(c(c1)Br)SCC=O 62a_100009813563_200015260668 [0,2,0,0,0,0|1,1,0]=4 5567 B12R1.69 Cc1ccc(c(c1)Br)SCC=O 62a_200015260668_100009813563 [0,2,0,0,0,0|1,1,0]=4 5568 B12R1.69 Cc1ccc(c(c1)C)NCC=O 34a_100000736561_200009817547 [0,2,0,0,0,0|2,0,0]=4 5569 B12R1.69 Cc1ccc(c(c1)C)NCC=O 7a_100000736561_200015260668 [0,2,0,0,0,0|2,0,0]=4 5570 B12R1.69 Cc1ccc(c(c1)C)OCC#N 7a_100000211776_100011215382 [0,2,0,0,0,0|1,0,1]=4 5571 B12R1.69 Cc1ccc(c(c1)C)OCC=O 34a_100000211776_200009817547 [0,2,0,0,0,0|1,0,0]=3 5572 B12R1.69 Cc1ccc(c(c1)C)OCC=O 7a_100000211776_200015260668 [0,2,0,0,0,0|1,0,0]=3 5573 B12R1.69 Cc1ccc(c(c1)C)OCCF 34a_100000211776_100011217306 [0,2,0,0,0,0|1,0,1]=4 5574 B12R1.69 Cc1ccc(c(c1)C)OCCF 7a_100000211776_100011217306 [0,2,0,0,0,0|1,0,1]=4 5575 B12R1.69 Cc1ccc(c(c1)C)OCCO 34a_100000211776_100000211926 [0,2,0,0,0,0|1,0,1]=4 5576 B12R1.69 Cc1ccc(c(c1)C)OCCO 7a_100000211776_100000211926 [0,2,0,0,0,0|1,0,1]=4 5577 B12R1.69 Cc1ccc(c(c1)C)SCC=O 62a_100011217332_200015260668 [0,2,0,0,0,0|1,1,0]=4 5578 B12R1.69 Cc1ccc(c(c1)C)SCC=O 62a_200015260668_100011217332 [0,2,0,0,0,0|1,1,0]=4 5579 B12R1.69 Cc1ccc(c(c1)Cl)NCC=O 34a_100000210522_200009817547 [0,2,0,0,0,0|2,0,0]=4 5580 B12R1.69 Cc1ccc(c(c1)Cl)OCC#N 7a_100000749699_100011215382 [0,2,0,0,0,0|1,0,1]=4 5581 B12R1.69 Cc1ccc(c(c1)Cl)OCC=O 34a_100000749699_200009817547 [0,2,0,0,0,0|1,0,0]=3 5582 B12R1.69 Cc1ccc(c(c1)Cl)OCC=O 7a_100000749699_200015260668 [0,2,0,0,0,0|1,0,0]=3 5583 B12R1.69 Cc1ccc(c(c1)Cl)OCCF 34a_100000749699_100011217306 [0,2,0,0,0,0|1,0,1]=4 5584 B12R1.69 Cc1ccc(c(c1)Cl)OCCF 7a_100000749699_100011217306 [0,2,0,0,0,0|1,0,1]=4 5585 B12R1.69 Cc1ccc(c(c1)Cl)OCCO 34a_100000749699_100000211926 [0,2,0,0,0,0|1,0,1]=4 5586 B12R1.69 Cc1ccc(c(c1)Cl)OCCO 7a_100000749699_100000211926 [0,2,0,0,0,0|1,0,1]=4 5587 B12R1.69 Cc1ccc(c(c1)Cl)SCC=O 62a_100011263221_200015260668 [0,2,0,0,0,0|1,1,0]=4 5588 B12R1.69 Cc1ccc(c(c1)Cl)SCC=O 62a_200015260668_100011263221 [0,2,0,0,0,0|1,1,0]=4 5589 B12R1.69 Cc1ccc(c(c1)F)NCC=O 34a_100000211023_200009817547 [0,2,0,0,0,0|2,0,0]=4 5590 B12R1.69 Cc1ccc(c(c1)F)OCC#N 7a_100011216688_100011215382 [0,2,0,0,0,0|1,0,1]=4 5591 B12R1.69 Cc1ccc(c(c1)F)OCC=O 34a_100011216688_200009817547 [0,2,0,0,0,0|1,0,0]=3 5592 B12R1.69 Cc1ccc(c(c1)F)OCC=O 7a_100011216688_200015260668 [0,2,0,0,0,0|1,0,0]=3 5593 B12R1.69 Cc1ccc(c(c1)F)OCCF 34a_100011216688_100011217306 [0,2,0,0,0,0|1,0,1]=4 5594 B12R1.69 Cc1ccc(c(c1)F)OCCF 7a_100011216688_100011217306 [0,2,0,0,0,0|1,0,1]=4 5595 B12R1.69 Cc1ccc(c(c1)F)OCCO 34a_100011216688_100000211926 [0,2,0,0,0,0|1,0,1]=4 5596 B12R1.69 Cc1ccc(c(c1)F)OCCO 7a_100011216688_100000211926 [0,2,0,0,0,0|1,0,1]=4 5597 B12R1.69 Cc1ccc(c(c1)F)SCC=O 62a_100011216119_200015260668 [0,2,0,0,0,0|1,1,0]=4 5598 B12R1.69 Cc1ccc(c(c1)F)SCC=O 62a_200015260668_100011216119 [0,2,0,0,0,0|1,1,0]=4 5599 B12R1.69 Cc1ccc(c(c1)I)NCC=O 34a_100011356834_200009817547 [0,2,0,0,0,0|2,0,0]=4 5600 B12R1.69 Cc1ccc(c(c1)I)OCC#N 7a_100000765521_100011215382 [0,2,0,0,0,0|1,0,1]=4 5601 B12R1.69 Cc1ccc(c(c1)I)OCC=O 34a_100000765521_200009817547 [0,2,0,0,0,0|1,0,0]=3 5602 B12R1.69 Cc1ccc(c(c1)I)OCC=O 7a_100000765521_200015260668 [0,2,0,0,0,0|1,0,0]=3 5603 B12R1.69 Cc1ccc(c(c1)I)OCCF 34a_100000765521_100011217306 [0,2,0,0,0,0|1,0,1]=4 5604 B12R1.69 Cc1ccc(c(c1)I)OCCF 7a_100000765521_100011217306 [0,2,0,0,0,0|1,0,1]=4 5605 B12R1.69 Cc1ccc(c(c1)I)OCCO 34a_100000765521_100000211926 [0,2,0,0,0,0|1,0,1]=4 5606 B12R1.69 Cc1ccc(c(c1)I)OCCO 7a_100000765521_100000211926 [0,2,0,0,0,0|1,0,1]=4 5607 B12R1.69 Cc1ccc(c(c1)N)OCC#N 7a_100011215204_100011215382 [0,2,0,0,0,0|1,0,1]=4 5608 B12R1.69 Cc1ccc(c(c1)N)OCC=O 34a_100011215204_200009817547 [0,2,0,0,0,0|1,0,0]=3 5609 B12R1.69 Cc1ccc(c(c1)N)OCC=O 7a_100011215204_200015260668 [0,2,0,0,0,0|1,0,0]=3 5610 B12R1.69 Cc1ccc(c(c1)N)OCCF 34a_100011215204_100011217306 [0,2,0,0,0,0|1,0,1]=4 5611 B12R1.69 Cc1ccc(c(c1)N)OCCF 7a_100011215204_100011217306 [0,2,0,0,0,0|1,0,1]=4 5612 B12R1.69 Cc1ccc(c(c1)N)OCCO 34a_100011215204_100000211926 [0,2,0,0,0,0|1,0,1]=4 5613 B12R1.69 Cc1ccc(c(c1)N)OCCO 7a_100011215204_100000211926 [0,2,0,0,0,0|1,0,1]=4 5614 B12R1.69 Cc1ccc(c(c1)N)SCC=O 62a_100011216686_200015260668 [0,2,0,0,0,0|1,1,0]=4 5615 B12R1.69 Cc1ccc(c(c1)N)SCC=O 62a_200015260668_100011216686 [0,2,0,0,0,0|1,1,0]=4 5616 B12R1.69 Cc1ccc(c(c1)O)NCC=O 34a_100000211527_200009817547 [0,2,0,0,0,0|2,0,0]=4 5617 B12R1.69 Cc1ccc(c(c1)O)OCCN 271570a_203496583355_100025744979 [0,2,0,0,0,0|1,0,1]=4 5618 B12R1.69 Cc1ccc(c(c1)O)SCC=O 62a_100012002257_200015260668 [0,2,0,0,0,0|1,1,0]=4 5619 B12R1.69 Cc1ccc(c(c1)O)SCC=O 62a_200015260668_100012002257 [0,2,0,0,0,0|1,1,0]=4 5620 B12R1.69 Cc1ccc(c(n1)Br)OCC=O 34a_100000702858_200009817547 [0,2,0,0,0,0|2,0,0]=4 5621 B12R1.69 Cc1ccc(c(n1)Br)OCC=O 7a_100000702858_200015260668 [0,2,0,0,0,0|2,0,0]=4 5622 B12R1.69 Cc1ccc(c(n1)C)OCC=O 34a_100011218912_200009817547 [0,2,0,0,0,0|2,0,0]=4 5623 B12R1.69 Cc1ccc(c(n1)C)OCC=O 7a_100011218912_200015260668 [0,2,0,0,0,0|2,0,0]=4 5624 B12R1.69 Cc1ccc(c(n1)Cl)OCC=O 34a_100000086286_200009817547 [0,2,0,0,0,0|2,0,0]=4 5625 B12R1.69 Cc1ccc(c(n1)Cl)OCC=O 7a_100000086286_200015260668 [0,2,0,0,0,0|2,0,0]=4 5626 B12R1.69 Cc1ccc(c(n1)F)OCC=O 34a_100000079963_200009817547 [0,2,0,0,0,0|2,0,0]=4 5627 B12R1.69 Cc1ccc(c(n1)F)OCC=O 7a_100000079963_200015260668 [0,2,0,0,0,0|2,0,0]=4 5628 B12R1.69 Cc1ccc(c(n1)I)OCC=O 34a_100000023897_200009817547 [0,2,0,0,0,0|2,0,0]=4 5629 B12R1.69 Cc1ccc(c(n1)I)OCC=O 7a_100000023897_200015260668 [0,2,0,0,0,0|2,0,0]=4 5630 B12R1.69 Cc1ccc(c(n1)N)OCC=O 34a_100000694039_200009817547 [0,2,0,0,0,0|2,0,0]=4 5631 B12R1.69 Cc1ccc(c(n1)N)OCC=O 7a_100000694039_200015260668 [0,2,0,0,0,0|2,0,0]=4 5632 B12R1.69 Cc1cnc(c(c1)Br)OCC=O 34a_100000719714_200009817547 [0,2,0,0,0,0|2,0,0]=4 5633 B12R1.69 Cc1cnc(c(c1)N)OCC=O 34a_100012000488_200009817547 [0,2,0,0,0,0|2,0,0]=4 5634 B12R1.69 Cc1nc(ccc1OCC=O)Br 34a_100012002022_200009817547 [0,2,0,0,0,0|2,0,0]=4 5635 B12R1.69 Cc1nc(ccc1OCC=O)Br 7a_100012002022_200015260668 [0,2,0,0,0,0|2,0,0]=4 5636 B12R1.69 Cc1nc(ccc1OCC=O)Cl 34a_100012184626_200009817547 [0,2,0,0,0,0|2,0,0]=4 5637 B12R1.69 Cc1nc(ccc1OCC=O)Cl 7a_100012184626_200015260668 [0,2,0,0,0,0|2,0,0]=4 5638 B12R1.69 Cc1nc(ccc1OCC=O)F 34a_100009881036_200009817547 [0,2,0,0,0,0|2,0,0]=4 5639 B12R1.69 Cc1nc(ccc1OCC=O)F 7a_100009881036_200015260668 [0,2,0,0,0,0|2,0,0]=4 5640 B12R1.69 Cc1nc(ccc1OCC=O)I 34a_100010233687_200009817547 [0,2,0,0,0,0|2,0,0]=4 5641 B12R1.69 Cc1nc(ccc1OCC=O)I 7a_100010233687_200015260668 [0,2,0,0,0,0|2,0,0]=4 5642 B12R1.69 FCCOc1ccc(cc1Br)Br 34a_100000188717_100011217306 [0,2,0,0,0,0|1,0,1]=4 5643 B12R1.69 FCCOc1ccc(cc1Br)Br 7a_100000188717_100011217306 [0,2,0,0,0,0|1,0,1]=4 5644 B12R1.69 FCCOc1ccc(cc1Br)Cl 34a_100000211998_100011217306 [0,2,0,0,0,0|1,0,1]=4 5645 B12R1.69 FCCOc1ccc(cc1Br)Cl 7a_100000211998_100011217306 [0,2,0,0,0,0|1,0,1]=4 5646 B12R1.69 FCCOc1ccc(cc1Br)F 34a_100000211999_100011217306 [0,2,0,0,0,0|1,0,1]=4 5647 B12R1.69 FCCOc1ccc(cc1Br)F 7a_100000211999_100011217306 [0,2,0,0,0,0|1,0,1]=4 5648 B12R1.69 FCCOc1ccc(cc1Br)I 34a_100012361655_100011217306 [0,2,0,0,0,0|1,0,1]=4 5649 B12R1.69 FCCOc1ccc(cc1Br)I 7a_100012361655_100011217306 [0,2,0,0,0,0|1,0,1]=4 5650 B12R1.69 FCCOc1ccc(cc1Cl)Br 34a_100000186472_100011217306 [0,2,0,0,0,0|1,0,1]=4 5651 B12R1.69 FCCOc1ccc(cc1Cl)Br 7a_100000186472_100011217306 [0,2,0,0,0,0|1,0,1]=4 5652 B12R1.69 FCCOc1ccc(cc1Cl)Cl 34a_100015191787_100011217306 [0,2,0,0,0,0|1,0,1]=4 5653 B12R1.69 FCCOc1ccc(cc1Cl)Cl 7a_100015191787_100011217306 [0,2,0,0,0,0|1,0,1]=4 5654 B12R1.69 FCCOc1ccc(cc1Cl)F 34a_100000212004_100011217306 [0,2,0,0,0,0|1,0,1]=4 5655 B12R1.69 FCCOc1ccc(cc1Cl)F 7a_100000212004_100011217306 [0,2,0,0,0,0|1,0,1]=4 5656 B12R1.69 FCCOc1ccc(cc1Cl)I 34a_100012360047_100011217306 [0,2,0,0,0,0|1,0,1]=4 5657 B12R1.69 FCCOc1ccc(cc1Cl)I 7a_100012360047_100011217306 [0,2,0,0,0,0|1,0,1]=4 5658 B12R1.69 FCCOc1ccc(cc1F)Br 34a_100000185481_100011217306 [0,2,0,0,0,0|1,0,1]=4 5659 B12R1.69 FCCOc1ccc(cc1F)Br 7a_100000185481_100011217306 [0,2,0,0,0,0|1,0,1]=4 5660 B12R1.69 FCCOc1ccc(cc1F)Cl 34a_100000230166_100011217306 [0,2,0,0,0,0|1,0,1]=4 5661 B12R1.69 FCCOc1ccc(cc1F)Cl 7a_100000230166_100011217306 [0,2,0,0,0,0|1,0,1]=4 5662 B12R1.69 FCCOc1ccc(cc1F)F 34a_100000230127_100011217306 [0,2,0,0,0,0|1,0,1]=4 5663 B12R1.69 FCCOc1ccc(cc1F)F 7a_100000230127_100011217306 [0,2,0,0,0,0|1,0,1]=4 5664 B12R1.69 FCCOc1ccc(cc1F)I 34a_100011356965_100011217306 [0,2,0,0,0,0|1,0,1]=4 5665 B12R1.69 FCCOc1ccc(cc1F)I 7a_100011356965_100011217306 [0,2,0,0,0,0|1,0,1]=4 5666 B12R1.69 FCCOc1ccc(cc1I)Br 34a_100012355227_100011217306 [0,2,0,0,0,0|1,0,1]=4 5667 B12R1.69 FCCOc1ccc(cc1I)Br 7a_100012355227_100011217306 [0,2,0,0,0,0|1,0,1]=4 5668 B12R1.69 FCCOc1ccc(cc1I)Cl 34a_100011356953_100011217306 [0,2,0,0,0,0|1,0,1]=4 5669 B12R1.69 FCCOc1ccc(cc1I)Cl 7a_100011356953_100011217306 [0,2,0,0,0,0|1,0,1]=4 5670 B12R1.69 FCCOc1ccc(cc1I)F 34a_100012355409_100011217306 [0,2,0,0,0,0|1,0,1]=4 5671 B12R1.69 FCCOc1ccc(cc1I)F 7a_100012355409_100011217306 [0,2,0,0,0,0|1,0,1]=4 5672 B12R1.69 FCCOc1ccc(cc1I)I 7a_100010001573_100011217306 [0,2,0,0,0,0|1,0,1]=4 5673 B12R1.69 N#CCOc1ccc(cc1Br)Br 7a_100000188717_100011215382 [0,2,0,0,0,0|1,0,1]=4 5674 B12R1.69 N#CCOc1ccc(cc1Br)Cl 7a_100000211998_100011215382 [0,2,0,0,0,0|1,0,1]=4 5675 B12R1.69 N#CCOc1ccc(cc1Br)F 7a_100000211999_100011215382 [0,2,0,0,0,0|1,0,1]=4 5676 B12R1.69 N#CCOc1ccc(cc1Br)I 7a_100012361655_100011215382 [0,2,0,0,0,0|1,0,1]=4 5677 B12R1.69 N#CCOc1ccc(cc1Br)N 7a_100011534360_100011215382 [0,2,0,0,0,0|1,0,1]=4 5678 B12R1.69 N#CCOc1ccc(cc1Cl)Br 7a_100000186472_100011215382 [0,2,0,0,0,0|1,0,1]=4 5679 B12R1.69 N#CCOc1ccc(cc1Cl)Cl 7a_100015191787_100011215382 [0,2,0,0,0,0|1,0,1]=4 5680 B12R1.69 N#CCOc1ccc(cc1Cl)F 7a_100000212004_100011215382 [0,2,0,0,0,0|1,0,1]=4 5681 B12R1.69 N#CCOc1ccc(cc1Cl)I 7a_100012360047_100011215382 [0,2,0,0,0,0|1,0,1]=4 5682 B12R1.69 N#CCOc1ccc(cc1Cl)N 7a_100000744943_100011215382 [0,2,0,0,0,0|1,0,1]=4 5683 B12R1.69 N#CCOc1ccc(cc1F)Br 7a_100000185481_100011215382 [0,2,0,0,0,0|1,0,1]=4 5684 B12R1.69 N#CCOc1ccc(cc1F)Cl 7a_100000230166_100011215382 [0,2,0,0,0,0|1,0,1]=4 5685 B12R1.69 N#CCOc1ccc(cc1F)F 7a_100000230127_100011215382 [0,2,0,0,0,0|1,0,1]=4 5686 B12R1.69 N#CCOc1ccc(cc1F)I 7a_100011356965_100011215382 [0,2,0,0,0,0|1,0,1]=4 5687 B12R1.69 N#CCOc1ccc(cc1F)N 7a_100011220035_100011215382 [0,2,0,0,0,0|1,0,1]=4 5688 B12R1.69 N#CCOc1ccc(cc1I)Br 7a_100012355227_100011215382 [0,2,0,0,0,0|1,0,1]=4 5689 B12R1.69 N#CCOc1ccc(cc1I)Cl 7a_100011356953_100011215382 [0,2,0,0,0,0|1,0,1]=4 5690 B12R1.69 N#CCOc1ccc(cc1I)F 7a_100012355409_100011215382 [0,2,0,0,0,0|1,0,1]=4 5691 B12R1.69 N#CCOc1ccc(cc1I)I 7a_100010001573_100011215382 [0,2,0,0,0,0|1,0,1]=4 5692 B12R1.69 N#CCOc1ccc(cc1N)Br 7a_100000752626_100011215382 [0,2,0,0,0,0|1,0,1]=4 5693 B12R1.69 N#CCOc1ccc(cc1N)Cl 7a_100000210500_100011215382 [0,2,0,0,0,0|1,0,1]=4 5694 B12R1.69 N#CCOc1ccc(cc1N)F 7a_100000759472_100011215382 [0,2,0,0,0,0|1,0,1]=4 5695 B12R1.69 N#CCOc1ccc(cc1N)I 7a_100000753495_100011215382 [0,2,0,0,0,0|1,0,1]=4 5696 B12R1.69 Nc1cc(ccc1OCC=O)Br 34a_100000752626_200009817547 [0,2,0,0,0,0|1,0,0]=3 5697 B12R1.69 Nc1cc(ccc1OCC=O)Br 7a_100000752626_200015260668 [0,2,0,0,0,0|1,0,0]=3 5698 B12R1.69 Nc1cc(ccc1OCC=O)Cl 34a_100000210500_200009817547 [0,2,0,0,0,0|1,0,0]=3 5699 B12R1.69 Nc1cc(ccc1OCC=O)Cl 7a_100000210500_200015260668 [0,2,0,0,0,0|1,0,0]=3 5700 B12R1.69 Nc1cc(ccc1OCC=O)F 34a_100000759472_200009817547 [0,2,0,0,0,0|1,0,0]=3 5701 B12R1.69 Nc1cc(ccc1OCC=O)F 7a_100000759472_200015260668 [0,2,0,0,0,0|1,0,0]=3 5702 B12R1.69 Nc1cc(ccc1OCC=O)I 34a_100000753495_200009817547 [0,2,0,0,0,0|1,0,0]=3 5703 B12R1.69 Nc1cc(ccc1OCC=O)I 7a_100000753495_200015260668 [0,2,0,0,0,0|1,0,0]=3 5704 B12R1.69 Nc1cc(ccc1OCCF)Br 34a_100000752626_100011217306 [0,2,0,0,0,0|1,0,1]=4 5705 B12R1.69 Nc1cc(ccc1OCCF)Br 7a_100000752626_100011217306 [0,2,0,0,0,0|1,0,1]=4 5706 B12R1.69 Nc1cc(ccc1OCCF)Cl 34a_100000210500_100011217306 [0,2,0,0,0,0|1,0,1]=4 5707 B12R1.69 Nc1cc(ccc1OCCF)Cl 7a_100000210500_100011217306 [0,2,0,0,0,0|1,0,1]=4 5708 B12R1.69 Nc1cc(ccc1OCCF)F 34a_100000759472_100011217306 [0,2,0,0,0,0|1,0,1]=4 5709 B12R1.69 Nc1cc(ccc1OCCF)F 7a_100000759472_100011217306 [0,2,0,0,0,0|1,0,1]=4 5710 B12R1.69 Nc1cc(ccc1OCCF)I 34a_100000753495_100011217306 [0,2,0,0,0,0|1,0,1]=4 5711 B12R1.69 Nc1cc(ccc1OCCF)I 7a_100000753495_100011217306 [0,2,0,0,0,0|1,0,1]=4 5712 B12R1.69 Nc1cc(ccc1OCCO)Br 34a_100000752626_100000211926 [0,2,0,0,0,0|1,0,1]=4 5713 B12R1.69 Nc1cc(ccc1OCCO)Br 7a_100000752626_100000211926 [0,2,0,0,0,0|1,0,1]=4 5714 B12R1.69 Nc1cc(ccc1OCCO)Cl 34a_100000210500_100000211926 [0,2,0,0,0,0|1,0,1]=4 5715 B12R1.69 Nc1cc(ccc1OCCO)Cl 7a_100000210500_100000211926 [0,2,0,0,0,0|1,0,1]=4 5716 B12R1.69 Nc1cc(ccc1OCCO)F 34a_100000759472_100000211926 [0,2,0,0,0,0|1,0,1]=4 5717 B12R1.69 Nc1cc(ccc1OCCO)F 7a_100000759472_100000211926 [0,2,0,0,0,0|1,0,1]=4 5718 B12R1.69 Nc1cc(ccc1OCCO)I 34a_100000753495_100000211926 [0,2,0,0,0,0|1,0,1]=4 5719 B12R1.69 Nc1cc(ccc1OCCO)I 7a_100000753495_100000211926 [0,2,0,0,0,0|1,0,1]=4 5720 B12R1.69 Nc1cc(ccc1SCC=O)Br 62a_100000743836_200015260668 [0,2,0,0,0,0|1,1,0]=4 5721 B12R1.69 Nc1cc(ccc1SCC=O)Br 62a_200015260668_100000743836 [0,2,0,0,0,0|1,1,0]=4 5722 B12R1.69 Nc1cc(ccc1SCC=O)Cl 62a_100000761886_200015260668 [0,2,0,0,0,0|1,1,0]=4 5723 B12R1.69 Nc1cc(ccc1SCC=O)Cl 62a_200015260668_100000761886 [0,2,0,0,0,0|1,1,0]=4 5724 B12R1.69 Nc1cc(ccc1SCC=O)F 62a_100000687223_200015260668 [0,2,0,0,0,0|1,1,0]=4 5725 B12R1.69 Nc1cc(ccc1SCC=O)F 62a_200015260668_100000687223 [0,2,0,0,0,0|1,1,0]=4 5726 B12R1.69 Nc1cc(ccc1SCC=O)O 62a_100011999798_200015260668 [0,2,0,0,0,0|1,1,0]=4 5727 B12R1.69 Nc1cc(ccc1SCC=O)O 62a_200015260668_100011999798 [0,2,0,0,0,0|1,1,0]=4 5728 B12R1.69 Nc1cc(cnc1OCC=O)Br 34a_100000743729_200009817547 [0,2,0,0,0,0|2,0,0]=4 5729 B12R1.69 Nc1cc(cnc1OCC=O)Cl 34a_100011998249_200009817547 [0,2,0,0,0,0|2,0,0]=4 5730 B12R1.69 Nc1cc(ncc1OCC=O)Br 34a_100009819941_200009817547 [0,2,0,0,0,0|2,0,0]=4 5731 B12R1.69 Nc1cc(ncc1OCC=O)Br 7a_100009819941_200015260668 [0,2,0,0,0,0|2,0,0]=4 5732 B12R1.69 Nc1ccc(c(c1)Br)OCC=O 34a_100011534360_200009817547 [0,2,0,0,0,0|1,0,0]=3 5733 B12R1.69 Nc1ccc(c(c1)Br)OCC=O 7a_100011534360_200015260668 [0,2,0,0,0,0|1,0,0]=3 5734 B12R1.69 Nc1ccc(c(c1)Br)OCCF 34a_100011534360_100011217306 [0,2,0,0,0,0|1,0,1]=4 5735 B12R1.69 Nc1ccc(c(c1)Br)OCCF 7a_100011534360_100011217306 [0,2,0,0,0,0|1,0,1]=4 5736 B12R1.69 Nc1ccc(c(c1)Br)OCCO 34a_100011534360_100000211926 [0,2,0,0,0,0|1,0,1]=4 5737 B12R1.69 Nc1ccc(c(c1)Br)OCCO 7a_100011534360_100000211926 [0,2,0,0,0,0|1,0,1]=4 5738 B12R1.69 Nc1ccc(c(c1)Br)SCC=O 62a_100000750458_200015260668 [0,2,0,0,0,0|1,1,0]=4 5739 B12R1.69 Nc1ccc(c(c1)Br)SCC=O 62a_200015260668_100000750458 [0,2,0,0,0,0|1,1,0]=4 5740 B12R1.69 Nc1ccc(c(c1)Cl)OCC=O 34a_100000744943_200009817547 [0,2,0,0,0,0|1,0,0]=3 5741 B12R1.69 Nc1ccc(c(c1)Cl)OCC=O 7a_100000744943_200015260668 [0,2,0,0,0,0|1,0,0]=3 5742 B12R1.69 Nc1ccc(c(c1)Cl)OCCF 34a_100000744943_100011217306 [0,2,0,0,0,0|1,0,1]=4 5743 B12R1.69 Nc1ccc(c(c1)Cl)OCCF 7a_100000744943_100011217306 [0,2,0,0,0,0|1,0,1]=4 5744 B12R1.69 Nc1ccc(c(c1)Cl)OCCO 34a_100000744943_100000211926 [0,2,0,0,0,0|1,0,1]=4 5745 B12R1.69 Nc1ccc(c(c1)Cl)OCCO 7a_100000744943_100000211926 [0,2,0,0,0,0|1,0,1]=4 5746 B12R1.69 Nc1ccc(c(c1)Cl)SCC=O 62a_100000761885_200015260668 [0,2,0,0,0,0|1,1,0]=4 5747 B12R1.69 Nc1ccc(c(c1)Cl)SCC=O 62a_200015260668_100000761885 [0,2,0,0,0,0|1,1,0]=4 5748 B12R1.69 Nc1ccc(c(c1)F)OCC=O 34a_100011220035_200009817547 [0,2,0,0,0,0|1,0,0]=3 5749 B12R1.69 Nc1ccc(c(c1)F)OCC=O 7a_100011220035_200015260668 [0,2,0,0,0,0|1,0,0]=3 5750 B12R1.69 Nc1ccc(c(c1)F)OCCF 34a_100011220035_100011217306 [0,2,0,0,0,0|1,0,1]=4 5751 B12R1.69 Nc1ccc(c(c1)F)OCCF 7a_100011220035_100011217306 [0,2,0,0,0,0|1,0,1]=4 5752 B12R1.69 Nc1ccc(c(c1)F)OCCO 34a_100011220035_100000211926 [0,2,0,0,0,0|1,0,1]=4 5753 B12R1.69 Nc1ccc(c(c1)F)OCCO 7a_100011220035_100000211926 [0,2,0,0,0,0|1,0,1]=4 5754 B12R1.69 Nc1ccc(c(c1)F)SCC=O 62a_100011356925_200015260668 [0,2,0,0,0,0|1,1,0]=4 5755 B12R1.69 Nc1ccc(c(c1)F)SCC=O 62a_200015260668_100011356925 [0,2,0,0,0,0|1,1,0]=4 5756 B12R1.69 Nc1ccc(c(c1)N)OCC=O 34a_100000725306_200009817547 [0,2,0,0,0,0|1,0,0]=3 5757 B12R1.69 Nc1ccc(c(c1)N)OCCF 34a_100000725306_100011217306 [0,2,0,0,0,0|1,0,1]=4 5758 B12R1.69 Nc1ccc(c(c1)N)OCCO 34a_100000725306_100000211926 [0,2,0,0,0,0|1,0,1]=4 5759 B12R1.69 Nc1ccc(c(c1)N)SCC=O 62a_200012175722_200015260668 [0,2,0,0,0,0|1,1,0]=4 5760 B12R1.69 Nc1ccc(c(c1)N)SCC=O 62a_200015260668_200012175722 [0,2,0,0,0,0|1,1,0]=4 5761 B12R1.69 Nc1nc(ccc1OCC=O)Br 34a_100000685527_200009817547 [0,2,0,0,0,0|2,0,0]=4 5762 B12R1.69 Nc1nc(ccc1OCC=O)Br 7a_100000685527_200015260668 [0,2,0,0,0,0|2,0,0]=4 5763 B12R1.69 Nc1nc(ccc1OCC=O)Cl 34a_100000717809_200009817547 [0,2,0,0,0,0|2,0,0]=4 5764 B12R1.69 Nc1nc(ccc1OCC=O)Cl 7a_100000717809_200015260668 [0,2,0,0,0,0|2,0,0]=4 5765 B12R1.69 O=CCNc1ccc(cc1Br)Br 34a_100000211012_200009817547 [0,2,0,0,0,0|2,0,0]=4 5766 B12R1.69 O=CCNc1ccc(cc1Br)Cl 34a_100000752454_200009817547 [0,2,0,0,0,0|2,0,0]=4 5767 B12R1.69 O=CCNc1ccc(cc1Br)F 34a_100000738039_200009817547 [0,2,0,0,0,0|2,0,0]=4 5768 B12R1.69 O=CCNc1ccc(cc1Br)O 34a_100012001276_200009817547 [0,2,0,0,0,0|2,0,0]=4 5769 B12R1.69 O=CCNc1ccc(cc1Cl)Br 34a_100000211467_200009817547 [0,2,0,0,0,0|2,0,0]=4 5770 B12R1.69 O=CCNc1ccc(cc1Cl)Cl 34a_100000185861_200009817547 [0,2,0,0,0,0|2,0,0]=4 5771 B12R1.69 O=CCNc1ccc(cc1Cl)F 34a_100000212003_200009817547 [0,2,0,0,0,0|2,0,0]=4 5772 B12R1.69 O=CCNc1ccc(cc1Cl)I 34a_100011218065_200009817547 [0,2,0,0,0,0|2,0,0]=4 5773 B12R1.69 O=CCNc1ccc(cc1Cl)O 34a_100011215599_200009817547 [0,2,0,0,0,0|2,0,0]=4 5774 B12R1.69 O=CCNc1ccc(cc1F)Br 34a_100000210722_200009817547 [0,2,0,0,0,0|2,0,0]=4 5775 B12R1.69 O=CCNc1ccc(cc1F)Cl 34a_100000211020_200009817547 [0,2,0,0,0,0|2,0,0]=4 5776 B12R1.69 O=CCNc1ccc(cc1F)F 34a_100000210720_200009817547 [0,2,0,0,0,0|2,0,0]=4 5777 B12R1.69 O=CCNc1ccc(cc1F)I 34a_100011215594_200009817547 [0,2,0,0,0,0|2,0,0]=4 5778 B12R1.69 O=CCNc1ccc(cc1F)O 34a_100000759473_200009817547 [0,2,0,0,0,0|2,0,0]=4 5779 B12R1.69 O=CCNc1ccc(cc1I)Br 34a_100000187925_200009817547 [0,2,0,0,0,0|2,0,0]=4 5780 B12R1.69 O=CCNc1ccc(cc1I)Cl 34a_100000761889_200009817547 [0,2,0,0,0,0|2,0,0]=4 5781 B12R1.69 O=CCNc1ccc(cc1I)F 34a_100000760547_200009817547 [0,2,0,0,0,0|2,0,0]=4 5782 B12R1.69 O=CCNc1ccc(cc1I)O 34a_100010084370_200009817547 [0,2,0,0,0,0|2,0,0]=4 5783 B12R1.69 O=CCNc1ccc(cc1O)Br 34a_100000739049_200009817547 [0,2,0,0,0,0|2,0,0]=4 5784 B12R1.69 O=CCNc1ccc(cc1O)Cl 34a_100000185728_200009817547 [0,2,0,0,0,0|2,0,0]=4 5785 B12R1.69 O=CCNc1ccc(cc1O)F 34a_100000753323_200009817547 [0,2,0,0,0,0|2,0,0]=4 5786 B12R1.69 O=CCNc1ccc(cc1O)O 34a_100000106777_200009817547 [0,2,0,0,0,0|2,0,0]=4 5787 B12R1.69 O=CCOc1ccc(cc1Br)Br 34a_100000188717_200009817547 [0,2,0,0,0,0|1,0,0]=3 5788 B12R1.69 O=CCOc1ccc(cc1Br)Br 7a_100000188717_200015260668 [0,2,0,0,0,0|1,0,0]=3 5789 B12R1.69 O=CCOc1ccc(cc1Br)Cl 34a_100000211998_200009817547 [0,2,0,0,0,0|1,0,0]=3 5790 B12R1.69 O=CCOc1ccc(cc1Br)Cl 7a_100000211998_200015260668 [0,2,0,0,0,0|1,0,0]=3 5791 B12R1.69 O=CCOc1ccc(cc1Br)F 34a_100000211999_200009817547 [0,2,0,0,0,0|1,0,0]=3 5792 B12R1.69 O=CCOc1ccc(cc1Br)F 7a_100000211999_200015260668 [0,2,0,0,0,0|1,0,0]=3 5793 B12R1.69 O=CCOc1ccc(cc1Br)I 34a_100012361655_200009817547 [0,2,0,0,0,0|1,0,0]=3 5794 B12R1.69 O=CCOc1ccc(cc1Br)I 7a_100012361655_200015260668 [0,2,0,0,0,0|1,0,0]=3 5795 B12R1.69 O=CCOc1ccc(cc1Cl)Br 34a_100000186472_200009817547 [0,2,0,0,0,0|1,0,0]=3 5796 B12R1.69 O=CCOc1ccc(cc1Cl)Br 7a_100000186472_200015260668 [0,2,0,0,0,0|1,0,0]=3 5797 B12R1.69 O=CCOc1ccc(cc1Cl)Cl 34a_100015191787_200009817547 [0,2,0,0,0,0|1,0,0]=3 5798 B12R1.69 O=CCOc1ccc(cc1Cl)Cl 7a_100015191787_200015260668 [0,2,0,0,0,0|1,0,0]=3 5799 B12R1.69 O=CCOc1ccc(cc1Cl)F 34a_100000212004_200009817547 [0,2,0,0,0,0|1,0,0]=3 5800 B12R1.69 O=CCOc1ccc(cc1Cl)F 7a_100000212004_200015260668 [0,2,0,0,0,0|1,0,0]=3 5801 B12R1.69 O=CCOc1ccc(cc1Cl)I 34a_100012360047_200009817547 [0,2,0,0,0,0|1,0,0]=3 5802 B12R1.69 O=CCOc1ccc(cc1Cl)I 7a_100012360047_200015260668 [0,2,0,0,0,0|1,0,0]=3 5803 B12R1.69 O=CCOc1ccc(cc1F)Br 34a_100000185481_200009817547 [0,2,0,0,0,0|1,0,0]=3 5804 B12R1.69 O=CCOc1ccc(cc1F)Br 7a_100000185481_200015260668 [0,2,0,0,0,0|1,0,0]=3 5805 B12R1.69 O=CCOc1ccc(cc1F)Cl 34a_100000230166_200009817547 [0,2,0,0,0,0|1,0,0]=3 5806 B12R1.69 O=CCOc1ccc(cc1F)Cl 7a_100000230166_200015260668 [0,2,0,0,0,0|1,0,0]=3 5807 B12R1.69 O=CCOc1ccc(cc1F)F 34a_100000230127_200009817547 [0,2,0,0,0,0|1,0,0]=3 5808 B12R1.69 O=CCOc1ccc(cc1F)F 7a_100000230127_200015260668 [0,2,0,0,0,0|1,0,0]=3 5809 B12R1.69 O=CCOc1ccc(cc1F)I 34a_100011356965_200009817547 [0,2,0,0,0,0|1,0,0]=3 5810 B12R1.69 O=CCOc1ccc(cc1F)I 7a_100011356965_200015260668 [0,2,0,0,0,0|1,0,0]=3 5811 B12R1.69 O=CCOc1ccc(cc1I)Br 34a_100012355227_200009817547 [0,2,0,0,0,0|1,0,0]=3 5812 B12R1.69 O=CCOc1ccc(cc1I)Br 7a_100012355227_200015260668 [0,2,0,0,0,0|1,0,0]=3 5813 B12R1.69 O=CCOc1ccc(cc1I)Cl 34a_100011356953_200009817547 [0,2,0,0,0,0|1,0,0]=3 5814 B12R1.69 O=CCOc1ccc(cc1I)Cl 7a_100011356953_200015260668 [0,2,0,0,0,0|1,0,0]=3 5815 B12R1.69 O=CCOc1ccc(cc1I)F 34a_100012355409_200009817547 [0,2,0,0,0,0|1,0,0]=3 5816 B12R1.69 O=CCOc1ccc(cc1I)F 7a_100012355409_200015260668 [0,2,0,0,0,0|1,0,0]=3 5817 B12R1.69 O=CCOc1ccc(cc1I)I 7a_100010001573_200015260668 [0,2,0,0,0,0|1,0,0]=3 5818 B12R1.69 O=CCOc1ccc(nc1Br)Br 34a_100009999766_200009817547 [0,2,0,0,0,0|2,0,0]=4 5819 B12R1.69 O=CCOc1ccc(nc1Br)Br 7a_100009999766_200015260668 [0,2,0,0,0,0|2,0,0]=4 5820 B12R1.69 O=CCOc1ccc(nc1Br)Cl 34a_100010219353_200009817547 [0,2,0,0,0,0|2,0,0]=4 5821 B12R1.69 O=CCOc1ccc(nc1Br)Cl 7a_100010219353_200015260668 [0,2,0,0,0,0|2,0,0]=4 5822 B12R1.69 O=CCOc1ccc(nc1Br)F 34a_100009887730_200009817547 [0,2,0,0,0,0|2,0,0]=4 5823 B12R1.69 O=CCOc1ccc(nc1Br)F 7a_100009887730_200015260668 [0,2,0,0,0,0|2,0,0]=4 5824 B12R1.69 O=CCOc1ccc(nc1Br)I 34a_100000725334_200009817547 [0,2,0,0,0,0|2,0,0]=4 5825 B12R1.69 O=CCOc1ccc(nc1Br)I 7a_100000725334_200015260668 [0,2,0,0,0,0|2,0,0]=4 5826 B12R1.69 O=CCOc1ccc(nc1Cl)Br 34a_100010246206_200009817547 [0,2,0,0,0,0|2,0,0]=4 5827 B12R1.69 O=CCOc1ccc(nc1Cl)Br 7a_100010246206_200015260668 [0,2,0,0,0,0|2,0,0]=4 5828 B12R1.69 O=CCOc1ccc(nc1Cl)Cl 34a_100000101165_200009817547 [0,2,0,0,0,0|2,0,0]=4 5829 B12R1.69 O=CCOc1ccc(nc1Cl)Cl 7a_100000101165_200015260668 [0,2,0,0,0,0|2,0,0]=4 5830 B12R1.69 O=CCOc1ccc(nc1Cl)I 34a_100000721234_200009817547 [0,2,0,0,0,0|2,0,0]=4 5831 B12R1.69 O=CCOc1ccc(nc1Cl)I 7a_100000721234_200015260668 [0,2,0,0,0,0|2,0,0]=4 5832 B12R1.69 O=CCOc1ccc(nc1F)Br 34a_100009819667_200009817547 [0,2,0,0,0,0|2,0,0]=4 5833 B12R1.69 O=CCOc1ccc(nc1F)Br 7a_100009819667_200015260668 [0,2,0,0,0,0|2,0,0]=4 5834 B12R1.69 O=CCOc1ccc(nc1F)Cl 34a_100009880201_200009817547 [0,2,0,0,0,0|2,0,0]=4 5835 B12R1.69 O=CCOc1ccc(nc1F)Cl 7a_100009880201_200015260668 [0,2,0,0,0,0|2,0,0]=4 5836 B12R1.69 O=CCOc1ccc(nc1F)F 34a_100000101184_200009817547 [0,2,0,0,0,0|2,0,0]=4 5837 B12R1.69 O=CCOc1ccc(nc1F)F 7a_100000101184_200015260668 [0,2,0,0,0,0|2,0,0]=4 5838 B12R1.69 O=CCOc1ccc(nc1I)Br 34a_100010253912_200009817547 [0,2,0,0,0,0|2,0,0]=4 5839 B12R1.69 O=CCOc1ccc(nc1I)Br 7a_100010253912_200015260668 [0,2,0,0,0,0|2,0,0]=4 5840 B12R1.69 O=CCOc1ccc(nc1I)Cl 34a_100000696390_200009817547 [0,2,0,0,0,0|2,0,0]=4 5841 B12R1.69 O=CCOc1ccc(nc1I)Cl 7a_100000696390_200015260668 [0,2,0,0,0,0|2,0,0]=4 5842 B12R1.69 O=CCOc1ccc(nc1I)F 34a_100010382442_200009817547 [0,2,0,0,0,0|2,0,0]=4 5843 B12R1.69 O=CCOc1ccc(nc1I)F 7a_100010382442_200015260668 [0,2,0,0,0,0|2,0,0]=4 5844 B12R1.69 O=CCOc1cnc(cc1Cl)Cl 34a_100009868576_200009817547 [0,2,0,0,0,0|2,0,0]=4 5845 B12R1.69 O=CCOc1cnc(cc1Cl)Cl 7a_100009868576_200015260668 [0,2,0,0,0,0|2,0,0]=4 5846 B12R1.69 O=CCOc1cnc(cc1F)F 34a_100009885687_200009817547 [0,2,0,0,0,0|2,0,0]=4 5847 B12R1.69 O=CCOc1cnc(cc1F)F 7a_100009885687_200015260668 [0,2,0,0,0,0|2,0,0]=4 5848 B12R1.69 O=CCOc1cnc(cc1I)Cl 34a_100000698892_200009817547 [0,2,0,0,0,0|2,0,0]=4 5849 B12R1.69 O=CCOc1cnc(cc1I)Cl 7a_100000698892_200015260668 [0,2,0,0,0,0|2,0,0]=4 5850 B12R1.69 O=CCOc1ncc(cc1Br)Br 34a_100000701035_200009817547 [0,2,0,0,0,0|2,0,0]=4 5851 B12R1.69 O=CCOc1ncc(cc1Cl)Br 34a_100012339560_200009817547 [0,2,0,0,0,0|2,0,0]=4 5852 B12R1.69 O=CCOc1ncc(cc1Cl)F 34a_100009847679_200009817547 [0,2,0,0,0,0|2,0,0]=4 5853 B12R1.69 O=CCOc1ncc(cc1F)Cl 34a_100011998252_200009817547 [0,2,0,0,0,0|2,0,0]=4 5854 B12R1.69 O=CCOc1ncc(cc1F)F 34a_100012025737_200009817547 [0,2,0,0,0,0|2,0,0]=4 5855 B12R1.69 O=CCSc1ccc(cc1Br)Br 62a_100011484698_200015260668 [0,2,0,0,0,0|1,1,0]=4 5856 B12R1.69 O=CCSc1ccc(cc1Br)Br 62a_200015260668_100011484698 [0,2,0,0,0,0|1,1,0]=4 5857 B12R1.69 O=CCSc1ccc(cc1Br)Cl 62a_100011219703_200015260668 [0,2,0,0,0,0|1,1,0]=4 5858 B12R1.69 O=CCSc1ccc(cc1Br)Cl 62a_200015260668_100011219703 [0,2,0,0,0,0|1,1,0]=4 5859 B12R1.69 O=CCSc1ccc(cc1Br)F 62a_100011217111_200015260668 [0,2,0,0,0,0|1,1,0]=4 5860 B12R1.69 O=CCSc1ccc(cc1Br)F 62a_200015260668_100011217111 [0,2,0,0,0,0|1,1,0]=4 5861 B12R1.69 O=CCSc1ccc(cc1Br)O 62a_100000701344_200015260668 [0,2,0,0,0,0|1,1,0]=4 5862 B12R1.69 O=CCSc1ccc(cc1Br)O 62a_200015260668_100000701344 [0,2,0,0,0,0|1,1,0]=4 5863 B12R1.69 O=CCSc1ccc(cc1Cl)Br 62a_100011216062_200015260668 [0,2,0,0,0,0|1,1,0]=4 5864 B12R1.69 O=CCSc1ccc(cc1Cl)Br 62a_200015260668_100011216062 [0,2,0,0,0,0|1,1,0]=4 5865 B12R1.69 O=CCSc1ccc(cc1Cl)Cl 62a_100000699841_200015260668 [0,2,0,0,0,0|1,1,0]=4 5866 B12R1.69 O=CCSc1ccc(cc1Cl)Cl 62a_200015260668_100000699841 [0,2,0,0,0,0|1,1,0]=4 5867 B12R1.69 O=CCSc1ccc(cc1Cl)F 62a_100000733362_200015260668 [0,2,0,0,0,0|1,1,0]=4 5868 B12R1.69 O=CCSc1ccc(cc1Cl)F 62a_200015260668_100000733362 [0,2,0,0,0,0|1,1,0]=4 5869 B12R1.69 O=CCSc1ccc(cc1Cl)O 62a_100000047559_200015260668 [0,2,0,0,0,0|1,1,0]=4 5870 B12R1.69 O=CCSc1ccc(cc1Cl)O 62a_200015260668_100000047559 [0,2,0,0,0,0|1,1,0]=4 5871 B12R1.69 O=CCSc1ccc(cc1F)Br 62a_100009814013_200015260668 [0,2,0,0,0,0|1,1,0]=4 5872 B12R1.69 O=CCSc1ccc(cc1F)Br 62a_200015260668_100009814013 [0,2,0,0,0,0|1,1,0]=4 5873 B12R1.69 O=CCSc1ccc(cc1F)Cl 62a_100011216042_200015260668 [0,2,0,0,0,0|1,1,0]=4 5874 B12R1.69 O=CCSc1ccc(cc1F)Cl 62a_200015260668_100011216042 [0,2,0,0,0,0|1,1,0]=4 5875 B12R1.69 O=CCSc1ccc(cc1F)F 62a_100000750030_200015260668 [0,2,0,0,0,0|1,1,0]=4 5876 B12R1.69 O=CCSc1ccc(cc1F)F 62a_200015260668_100000750030 [0,2,0,0,0,0|1,1,0]=4 5877 B12R1.69 O=CCSc1ccc(cc1F)O 62a_100000755031_200015260668 [0,2,0,0,0,0|1,1,0]=4 5878 B12R1.69 O=CCSc1ccc(cc1F)O 62a_200015260668_100000755031 [0,2,0,0,0,0|1,1,0]=4 5879 B12R1.69 O=CCSc1ccc(cc1O)Br 62a_100012344904_200015260668 [0,2,0,0,0,0|1,1,0]=4 5880 B12R1.69 O=CCSc1ccc(cc1O)Br 62a_200015260668_100012344904 [0,2,0,0,0,0|1,1,0]=4 5881 B12R1.69 O=CCSc1ccc(cc1O)Cl 62a_100000050036_200015260668 [0,2,0,0,0,0|1,1,0]=4 5882 B12R1.69 O=CCSc1ccc(cc1O)Cl 62a_200015260668_100000050036 [0,2,0,0,0,0|1,1,0]=4 5883 B12R1.69 O=CCSc1ccc(cc1O)F 62a_100000690578_200015260668 [0,2,0,0,0,0|1,1,0]=4 5884 B12R1.69 O=CCSc1ccc(cc1O)F 62a_200015260668_100000690578 [0,2,0,0,0,0|1,1,0]=4 5885 B12R1.69 O=CCSc1ccc(cc1O)O 62a_200015260668_100009813921 [0,2,0,0,0,0|1,1,0]=4 5886 B12R1.69 OCCOc1ccc(cc1Br)Br 34a_100000188717_100000211926 [0,2,0,0,0,0|1,0,1]=4 5887 B12R1.69 OCCOc1ccc(cc1Br)Br 7a_100000188717_100000211926 [0,2,0,0,0,0|1,0,1]=4 5888 B12R1.69 OCCOc1ccc(cc1Br)Cl 34a_100000211998_100000211926 [0,2,0,0,0,0|1,0,1]=4 5889 B12R1.69 OCCOc1ccc(cc1Br)Cl 7a_100000211998_100000211926 [0,2,0,0,0,0|1,0,1]=4 5890 B12R1.69 OCCOc1ccc(cc1Br)F 34a_100000211999_100000211926 [0,2,0,0,0,0|1,0,1]=4 5891 B12R1.69 OCCOc1ccc(cc1Br)F 7a_100000211999_100000211926 [0,2,0,0,0,0|1,0,1]=4 5892 B12R1.69 OCCOc1ccc(cc1Br)I 34a_100012361655_100000211926 [0,2,0,0,0,0|1,0,1]=4 5893 B12R1.69 OCCOc1ccc(cc1Br)I 7a_100012361655_100000211926 [0,2,0,0,0,0|1,0,1]=4 5894 B12R1.69 OCCOc1ccc(cc1Cl)Br 34a_100000186472_100000211926 [0,2,0,0,0,0|1,0,1]=4 5895 B12R1.69 OCCOc1ccc(cc1Cl)Br 7a_100000186472_100000211926 [0,2,0,0,0,0|1,0,1]=4 5896 B12R1.69 OCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000211926 [0,2,0,0,0,0|1,0,1]=4 5897 B12R1.69 OCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000211926 [0,2,0,0,0,0|1,0,1]=4 5898 B12R1.69 OCCOc1ccc(cc1Cl)F 34a_100000212004_100000211926 [0,2,0,0,0,0|1,0,1]=4 5899 B12R1.69 OCCOc1ccc(cc1Cl)F 7a_100000212004_100000211926 [0,2,0,0,0,0|1,0,1]=4 5900 B12R1.69 OCCOc1ccc(cc1Cl)I 34a_100012360047_100000211926 [0,2,0,0,0,0|1,0,1]=4 5901 B12R1.69 OCCOc1ccc(cc1Cl)I 7a_100012360047_100000211926 [0,2,0,0,0,0|1,0,1]=4 5902 B12R1.69 OCCOc1ccc(cc1F)Br 34a_100000185481_100000211926 [0,2,0,0,0,0|1,0,1]=4 5903 B12R1.69 OCCOc1ccc(cc1F)Br 7a_100000185481_100000211926 [0,2,0,0,0,0|1,0,1]=4 5904 B12R1.69 OCCOc1ccc(cc1F)Cl 34a_100000230166_100000211926 [0,2,0,0,0,0|1,0,1]=4 5905 B12R1.69 OCCOc1ccc(cc1F)Cl 7a_100000230166_100000211926 [0,2,0,0,0,0|1,0,1]=4 5906 B12R1.69 OCCOc1ccc(cc1F)F 34a_100000230127_100000211926 [0,2,0,0,0,0|1,0,1]=4 5907 B12R1.69 OCCOc1ccc(cc1F)F 7a_100000230127_100000211926 [0,2,0,0,0,0|1,0,1]=4 5908 B12R1.69 OCCOc1ccc(cc1F)I 34a_100011356965_100000211926 [0,2,0,0,0,0|1,0,1]=4 5909 B12R1.69 OCCOc1ccc(cc1F)I 7a_100011356965_100000211926 [0,2,0,0,0,0|1,0,1]=4 5910 B12R1.69 OCCOc1ccc(cc1I)Br 34a_100012355227_100000211926 [0,2,0,0,0,0|1,0,1]=4 5911 B12R1.69 OCCOc1ccc(cc1I)Br 7a_100012355227_100000211926 [0,2,0,0,0,0|1,0,1]=4 5912 B12R1.69 OCCOc1ccc(cc1I)Cl 34a_100011356953_100000211926 [0,2,0,0,0,0|1,0,1]=4 5913 B12R1.69 OCCOc1ccc(cc1I)Cl 7a_100011356953_100000211926 [0,2,0,0,0,0|1,0,1]=4 5914 B12R1.69 OCCOc1ccc(cc1I)F 34a_100012355409_100000211926 [0,2,0,0,0,0|1,0,1]=4 5915 B12R1.69 OCCOc1ccc(cc1I)F 7a_100012355409_100000211926 [0,2,0,0,0,0|1,0,1]=4 5916 B12R1.69 OCCOc1ccc(cc1I)I 7a_100010001573_100000211926 [0,2,0,0,0,0|1,0,1]=4 5917 B12R1.71 C#CCOc1ccc(cc1)C#N 34a_100000210344_100000184674 [0,2,0,0,0,0|0,0,2]=4 5918 B12R1.71 C#CCOc1ccc(cc1)C#N 7a_100000210344_100000038162 [0,2,0,0,0,0|0,0,2]=4 5919 B12R1.71 C#CCOc1ccc(cc1)C=C 34a_100000189437_100000184674 [0,2,0,0,0,0|0,0,2]=4 5920 B12R1.71 C#CCOc1ccc(cc1)C=C 7a_100000189437_100000038162 [0,2,0,0,0,0|0,0,2]=4 5921 B12R1.71 C#CCOc1ccc(cc1)CC 34a_100000211359_100000184674 [0,2,0,0,0,0|0,0,2]=4 5922 B12R1.71 C#CCOc1ccc(cc1)CC 7a_100000211359_100000038162 [0,2,0,0,0,0|0,0,2]=4 5923 B12R1.71 C#CCOc1ccc(cc1)CN 34a_100000185549_100000184674 [0,2,0,0,0,0|0,0,2]=4 5924 B12R1.71 C#CCOc1ccc(cc1)CO 34a_100000211755_100000184674 [0,2,0,0,0,0|0,0,2]=4 5925 B12R1.71 C#CCOc1ccc(cc1)NC 2230a_100000753246_200000210301 [0,2,0,0,0,0|0,0,2]=4 5926 B12R1.71 C#CCOc1ccc(cc1)NC 34a_100000182112_100000184674 [0,2,0,0,0,0|0,0,2]=4 5927 B12R1.71 C#CCOc1ccc(cc1)NC 34a_100000753246_200000210301 [0,2,0,0,0,0|0,0,2]=4 5928 B12R1.71 C#CCOc1ccc(cc1)N[13CH3] 2230a_100000753246_200025704644 [0,2,0,0,0,0|0,0,2]=4 5929 B12R1.71 C#CCOc1ccc(cc1)N[13CH3] 34a_100000753246_200025704644 [0,2,0,0,0,0|0,0,2]=4 5930 B12R1.71 C#CCOc1ccc(cc1)OC 34a_100000210503_100000184674 [0,2,0,0,0,0|0,0,2]=4 5931 B12R1.71 C#CCOc1ccc(cc1)SC 34a_100000211864_100000184674 [0,2,0,0,0,0|0,0,2]=4 5932 B12R1.71 C#Cc1ccc(cc1)NCC=C 34a_100011215031_100015514636 [0,2,0,0,0,0|1,0,0]=3 5933 B12R1.71 C#Cc1ccc(cc1)NCC=O 34a_100011215031_200009817547 [0,2,0,0,0,0|2,0,0]=4 5934 B12R1.71 C#Cc1ccc(nc1)OCC=C 34a_200009884252_100015514636 [0,2,0,0,0,0|1,0,0]=3 5935 B12R1.71 C#Cc1ccc(nc1)OCC=O 34a_200009884252_200009817547 [0,2,0,0,0,0|2,0,0]=4 5936 B12R1.71 C=CCNc1ccc(cc1)C#N 34a_100000185469_100015514636 [0,2,0,0,0,0|1,0,0]=3 5937 B12R1.71 C=CCNc1ccc(cc1)C=C 34a_100011218248_100015514636 [0,2,0,0,0,0|1,0,0]=3 5938 B12R1.71 C=CCNc1ccc(cc1)CC 2230a_100000211069_100000210623 [0,2,0,0,0,0|1,0,0]=3 5939 B12R1.71 C=CCNc1ccc(cc1)CC 34a_100000211069_100015514636 [0,2,0,0,0,0|1,0,0]=3 5940 B12R1.71 C=CCNc1ccc(cc1)CO 2230a_100011215238_100000210623 [0,2,0,0,0,0|1,0,0]=3 5941 B12R1.71 C=CCNc1ccc(cc1)CO 34a_100011215238_100015514636 [0,2,0,0,0,0|1,0,0]=3 5942 B12R1.71 C=CCNc1ccc(cc1)OC 34a_100000184247_100015514636 [0,2,0,0,0,0|1,0,0]=3 5943 B12R1.71 C=CCNc1ccc(cc1)SC 34a_100000212337_100015514636 [0,2,0,0,0,0|1,0,0]=3 5944 B12R1.71 C=CCNc1ccc(cn1)C#N 27a_100020586998_100000241038 [0,2,0,0,0,0|2,0,0]=4 5945 B12R1.71 C=CCNc1ccc(cn1)SC 27a_100020586998_100009820866 [0,2,0,0,0,0|2,0,0]=4 5946 B12R1.71 C=CCOc1ccc(cc1)C#N 34a_100000210344_100015514636 [0,2,0,0,0,0|0,0,0]=2 5947 B12R1.71 C=CCOc1ccc(cc1)C#N 7a_100000210344_100015514636 [0,2,0,0,0,0|0,0,0]=2 5948 B12R1.71 C=CCOc1ccc(cc1)C=C 271570a_100011290941_100000172055 [0,2,0,0,0,0|0,0,0]=2 5949 B12R1.71 C=CCOc1ccc(cc1)C=C 34a_100000189437_100015514636 [0,2,0,0,0,0|0,0,0]=2 5950 B12R1.71 C=CCOc1ccc(cc1)C=C 7a_100000189437_100015514636 [0,2,0,0,0,0|0,0,0]=2 5951 B12R1.71 C=CCOc1ccc(cc1)CC 34a_100000211359_100015514636 [0,2,0,0,0,0|0,0,0]=2 5952 B12R1.71 C=CCOc1ccc(cc1)CC 7a_100000211359_100015514636 [0,2,0,0,0,0|0,0,0]=2 5953 B12R1.71 C=CCOc1ccc(cc1)CN 34a_100000185549_100015514636 [0,2,0,0,0,0|0,0,0]=2 5954 B12R1.71 C=CCOc1ccc(cc1)CO 34a_100000211755_100015514636 [0,2,0,0,0,0|0,0,0]=2 5955 B12R1.71 C=CCOc1ccc(cc1)NC 34a_100000182112_100015514636 [0,2,0,0,0,0|0,0,0]=2 5956 B12R1.71 C=CCOc1ccc(cc1)OC 34a_100000210503_100015514636 [0,2,0,0,0,0|0,0,0]=2 5957 B12R1.71 C=CCOc1ccc(cc1)SC 34a_100000211864_100015514636 [0,2,0,0,0,0|0,0,0]=2 5958 B12R1.71 C=CCOc1ccc(cc1)SC 62a_100000172055_200000210301 [0,2,0,0,0,0|0,0,0]=2 5959 B12R1.71 C=CCOc1ccc(cc1)SC 62a_200000210301_100000172055 [0,2,0,0,0,0|0,0,0]=2 5960 B12R1.71 C=CCOc1ccc(cc1)S[13CH3] 62a_100000172055_200025704644 [0,2,0,0,0,0|0,0,0]=2 5961 B12R1.71 C=CCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000172055 [0,2,0,0,0,0|0,0,0]=2 5962 B12R1.71 C=CCOc1ccc(cn1)CN 34a_100000757128_100015514636 [0,2,0,0,0,0|1,0,0]=3 5963 B12R1.71 C=CCOc1ccc(cn1)OC 34a_100012002028_100015514636 [0,2,0,0,0,0|1,0,0]=3 5964 B12R1.71 C=CCOc1ccc(nc1)C#N 34a_100011934750_100015514636 [0,2,0,0,0,0|1,0,0]=3 5965 B12R1.71 C=CCOc1ccc(nc1)C#N 7a_100011934750_100015514636 [0,2,0,0,0,0|1,0,0]=3 5966 B12R1.71 C=CCOc1ccc(nc1)CN 34a_100020605196_100015514636 [0,2,0,0,0,0|1,0,0]=3 5967 B12R1.71 C=CCOc1ccc(nc1)CO 34a_103436540053_100015514636 [0,2,0,0,0,0|1,0,0]=3 5968 B12R1.71 C=CCOc1ccc(nc1)OC 34a_100011934560_100015514636 [0,2,0,0,0,0|1,0,0]=3 5969 B12R1.71 C=CCOc1cnc(nc1)C#N 7a_100000707606_100015514636 [0,2,0,0,0,0|2,0,0]=4 5970 B12R1.71 C=CCOc1cnc(nc1)OC 34a_100000099601_100015514636 [0,2,0,0,0,0|2,0,0]=4 5971 B12R1.71 C=CCOc1cnc(nc1)OC 7a_100000099601_100015514636 [0,2,0,0,0,0|2,0,0]=4 5972 B12R1.71 C=CCOc1cnc(nc1)SC 34a_100000075549_100015514636 [0,2,0,0,0,0|2,0,0]=4 5973 B12R1.71 C=CCOc1cnc(nc1)SC 7a_100000075549_100015514636 [0,2,0,0,0,0|2,0,0]=4 5974 B12R1.71 C=CCSc1ccc(cc1)C#N 62a_100000210623_100000184291 [0,2,0,0,0,0|0,1,0]=3 5975 B12R1.71 C=CCSc1ccc(cc1)C=C 62a_100000210623_100000748128 [0,2,0,0,0,0|0,1,0]=3 5976 B12R1.71 C=CCSc1ccc(cc1)C=C 62a_100000748128_100000210623 [0,2,0,0,0,0|0,1,0]=3 5977 B12R1.71 C=CCSc1ccc(cc1)C=O 62a_100000188517_100000210623 [0,2,0,0,0,0|0,1,0]=3 5978 B12R1.71 C=CCSc1ccc(cc1)C=O 62a_100000210623_100000188517 [0,2,0,0,0,0|0,1,0]=3 5979 B12R1.71 C=CCSc1ccc(cc1)CC 62a_100000210623_100011215824 [0,2,0,0,0,0|0,1,0]=3 5980 B12R1.71 C=CCSc1ccc(cc1)CC 62a_100011215824_100000210623 [0,2,0,0,0,0|0,1,0]=3 5981 B12R1.71 C=CCSc1ccc(cc1)CF 62a_100000210623_100010268989 [0,2,0,0,0,0|0,1,0]=3 5982 B12R1.71 C=CCSc1ccc(cc1)CF 62a_100010268989_100000210623 [0,2,0,0,0,0|0,1,0]=3 5983 B12R1.71 C=CCSc1ccc(cc1)CN 62a_100000210623_100016989417 [0,2,0,0,0,0|0,1,0]=3 5984 B12R1.71 C=CCSc1ccc(cc1)CN 62a_100016989417_100000210623 [0,2,0,0,0,0|0,1,0]=3 5985 B12R1.71 C=CCSc1ccc(cc1)CO 62a_100000210623_100000690907 [0,2,0,0,0,0|0,1,0]=3 5986 B12R1.71 C=CCSc1ccc(cc1)CO 62a_100000690907_100000210623 [0,2,0,0,0,0|0,1,0]=3 5987 B12R1.71 C=CCSc1ccc(cc1)NC 62a_100000210623_100000743151 [0,2,0,0,0,0|0,1,0]=3 5988 B12R1.71 C=CCSc1ccc(cc1)NC 62a_100000743151_100000210623 [0,2,0,0,0,0|0,1,0]=3 5989 B12R1.71 C=CCSc1ccc(cc1)NN 62a_100000210623_100016988836 [0,2,0,0,0,0|0,1,0]=3 5990 B12R1.71 C=CCSc1ccc(cc1)NN 62a_100016988836_100000210623 [0,2,0,0,0,0|0,1,0]=3 5991 B12R1.71 C=CCSc1ccc(cc1)OC 62a_100000210623_100000171711 [0,2,0,0,0,0|0,1,0]=3 5992 B12R1.71 C=CCSc1ccc(cc1)SC 62a_100000210623_100011263217 [0,2,0,0,0,0|0,1,0]=3 5993 B12R1.71 C=CCSc1ccc(cc1)SC 62a_100011263217_100000210623 [0,2,0,0,0,0|0,1,0]=3 5994 B12R1.71 C=CCSc1ccc(cn1)C#N 62a_100000210623_100000241038 [0,2,0,0,0,0|1,1,0]=4 5995 B12R1.71 C=CCSc1ccc(cn1)C=C 62a_100000210623_103436540071 [0,2,0,0,0,0|1,1,0]=4 5996 B12R1.71 C=CCSc1ccc(cn1)C=C 62a_103436540071_100000210623 [0,2,0,0,0,0|1,1,0]=4 5997 B12R1.71 C=CCSc1ccc(cn1)C=O 62a_100000210623_100000766901 [0,2,0,0,0,0|1,1,0]=4 5998 B12R1.71 C=CCSc1ccc(cn1)C=O 62a_100000766901_100000210623 [0,2,0,0,0,0|1,1,0]=4 5999 B12R1.71 C=CCSc1ccc(cn1)CC 62a_100000210623_100009843584 [0,2,0,0,0,0|1,1,0]=4 6000 B12R1.71 C=CCSc1ccc(cn1)CC 62a_100009843584_100000210623 [0,2,0,0,0,0|1,1,0]=4 6001 B12R1.71 C=CCSc1ccc(cn1)CN 62a_100000210623_100000735879 [0,2,0,0,0,0|1,1,0]=4 6002 B12R1.71 C=CCSc1ccc(cn1)CN 62a_100000735879_100000210623 [0,2,0,0,0,0|1,1,0]=4 6003 B12R1.71 C=CCSc1ccc(cn1)CO 62a_100000210623_100009816760 [0,2,0,0,0,0|1,1,0]=4 6004 B12R1.71 C=CCSc1ccc(cn1)CO 62a_100009816760_100000210623 [0,2,0,0,0,0|1,1,0]=4 6005 B12R1.71 C=CCSc1ccc(cn1)NC 62a_100000210623_100000764248 [0,2,0,0,0,0|1,1,0]=4 6006 B12R1.71 C=CCSc1ccc(cn1)NC 62a_100000764248_100000210623 [0,2,0,0,0,0|1,1,0]=4 6007 B12R1.71 C=CCSc1ccc(cn1)NN 62a_100000210623_100000119030 [0,2,0,0,0,0|1,1,0]=4 6008 B12R1.71 C=CCSc1ccc(cn1)NN 62a_100000755011_100000210623 [0,2,0,0,0,0|1,1,0]=4 6009 B12R1.71 C=CCSc1ccc(cn1)OC 62a_100000210623_100000744180 [0,2,0,0,0,0|1,1,0]=4 6010 B12R1.71 C=CCSc1ccc(cn1)OC 62a_100000755202_100000210623 [0,2,0,0,0,0|1,1,0]=4 6011 B12R1.71 C=CCSc1ccc(cn1)SC 62a_100000210623_100009820866 [0,2,0,0,0,0|1,1,0]=4 6012 B12R1.71 C=CCSc1ccc(cn1)SC 62a_100009820866_100000210623 [0,2,0,0,0,0|1,1,0]=4 6013 B12R1.71 C=CCSc1ccc(nc1)C#N 62a_100000210623_100000760455 [0,2,0,0,0,0|1,1,0]=4 6014 B12R1.71 C=CCSc1ccc(nc1)C=O 62a_100000210623_100000754260 [0,2,0,0,0,0|1,1,0]=4 6015 B12R1.71 C=CCSc1ccc(nc1)C=O 62a_100000754260_100000210623 [0,2,0,0,0,0|1,1,0]=4 6016 B12R1.71 C=CCSc1ccc(nc1)CC 62a_100000210623_100009820025 [0,2,0,0,0,0|1,1,0]=4 6017 B12R1.71 C=CCSc1ccc(nc1)CC 62a_100009820025_100000210623 [0,2,0,0,0,0|1,1,0]=4 6018 B12R1.71 C=CCSc1ccc(nc1)CN 62a_100000210623_100015188789 [0,2,0,0,0,0|1,1,0]=4 6019 B12R1.71 C=CCSc1ccc(nc1)CN 62a_100015188789_100000210623 [0,2,0,0,0,0|1,1,0]=4 6020 B12R1.71 C=CCSc1ccc(nc1)CO 62a_100000210623_100000754261 [0,2,0,0,0,0|1,1,0]=4 6021 B12R1.71 C=CCSc1ccc(nc1)CO 62a_100000754261_100000210623 [0,2,0,0,0,0|1,1,0]=4 6022 B12R1.71 C=CCSc1ccc(nc1)NC 62a_100000210623_100000741341 [0,2,0,0,0,0|1,1,0]=4 6023 B12R1.71 C=CCSc1ccc(nc1)NC 62a_100000741341_100000210623 [0,2,0,0,0,0|1,1,0]=4 6024 B12R1.71 C=CCSc1ccc(nc1)NN 62a_100000210623_100000750576 [0,2,0,0,0,0|1,1,0]=4 6025 B12R1.71 C=CCSc1ccc(nc1)NN 62a_100000750576_100000210623 [0,2,0,0,0,0|1,1,0]=4 6026 B12R1.71 C=CCSc1ccc(nc1)OC 62a_100000047065_100000210623 [0,2,0,0,0,0|1,1,0]=4 6027 B12R1.71 C=CCSc1ccc(nc1)OC 62a_100000210623_100000047065 [0,2,0,0,0,0|1,1,0]=4 6028 B12R1.71 C=CCSc1ccc(nc1)SC 62a_100000210623_100011408404 [0,2,0,0,0,0|1,1,0]=4 6029 B12R1.71 C=CCSc1ccc(nc1)SC 62a_100011408404_100000210623 [0,2,0,0,0,0|1,1,0]=4 6030 B12R1.71 C=Cc1ccc(cc1)CCC=O 271570a_100011290941_100011361538 [0,2,0,0,0,0|2,0,0]=4 6031 B12R1.71 C=Cc1ccc(cc1)NCC=O 34a_100011218248_200009817547 [0,2,0,0,0,0|2,0,0]=4 6032 B12R1.71 C=Cc1ccc(cc1)OCC#N 271570a_100011290941_200000169425 [0,2,0,0,0,0|1,0,1]=4 6033 B12R1.71 C=Cc1ccc(cc1)OCC#N 7a_100000189437_100011215382 [0,2,0,0,0,0|1,0,1]=4 6034 B12R1.71 C=Cc1ccc(cc1)OCC=O 34a_100000189437_200009817547 [0,2,0,0,0,0|1,0,0]=3 6035 B12R1.71 C=Cc1ccc(cc1)OCC=O 7a_100000189437_200015260668 [0,2,0,0,0,0|1,0,0]=3 6036 B12R1.71 C=Cc1ccc(cc1)OCCC 271570a_100011290941_100000169948 [0,2,0,0,0,0|0,0,2]=4 6037 B12R1.71 C=Cc1ccc(cc1)OCCC 34a_100000189437_100000210303 [0,2,0,0,0,0|0,0,2]=4 6038 B12R1.71 C=Cc1ccc(cc1)OCCC 7a_100000189437_100000210303 [0,2,0,0,0,0|0,0,2]=4 6039 B12R1.71 C=Cc1ccc(cc1)OCCF 271570a_100011290941_100012347556 [0,2,0,0,0,0|1,0,1]=4 6040 B12R1.71 C=Cc1ccc(cc1)OCCF 34a_100000189437_100011217306 [0,2,0,0,0,0|1,0,1]=4 6041 B12R1.71 C=Cc1ccc(cc1)OCCF 7a_100000189437_100011217306 [0,2,0,0,0,0|1,0,1]=4 6042 B12R1.71 C=Cc1ccc(cc1)OCCN 271570a_100011290941_100000746992 [0,2,0,0,0,0|1,0,1]=4 6043 B12R1.71 C=Cc1ccc(cc1)OCCO 271570a_100011290941_100000686261 [0,2,0,0,0,0|1,0,1]=4 6044 B12R1.71 C=Cc1ccc(cc1)OCCO 34a_100000189437_100000211926 [0,2,0,0,0,0|1,0,1]=4 6045 B12R1.71 C=Cc1ccc(cc1)OCCO 7a_100000189437_100000211926 [0,2,0,0,0,0|1,0,1]=4 6046 B12R1.71 C=Cc1ccc(cc1)OCOC 271570a_100011290941_100012265687 [0,2,0,0,0,0|1,0,1]=4 6047 B12R1.71 C=Cc1ccc(cc1)OCSC 34a_100000189437_100011218213 [0,2,0,0,0,0|1,0,1]=4 6048 B12R1.71 C=Cc1ccc(cc1)SCC=O 62a_100000748128_200015260668 [0,2,0,0,0,0|1,1,0]=4 6049 B12R1.71 C=Cc1ccc(cc1)SCC=O 62a_200015260668_100000748128 [0,2,0,0,0,0|1,1,0]=4 6050 B12R1.71 CCCOc1ccc(cc1)C#N 34a_100000210344_100000210303 [0,2,0,0,0,0|0,0,2]=4 6051 B12R1.71 CCCOc1ccc(cc1)C#N 7a_100000210344_100000210303 [0,2,0,0,0,0|0,0,2]=4 6052 B12R1.71 CCCOc1ccc(cc1)CC 34a_100000211359_100000210303 [0,2,0,0,0,0|0,0,2]=4 6053 B12R1.71 CCCOc1ccc(cc1)CC 7a_100000211359_100000210303 [0,2,0,0,0,0|0,0,2]=4 6054 B12R1.71 CCCOc1ccc(cc1)CN 34a_100000185549_100000210303 [0,2,0,0,0,0|0,0,2]=4 6055 B12R1.71 CCCOc1ccc(cc1)CO 34a_100000211755_100000210303 [0,2,0,0,0,0|0,0,2]=4 6056 B12R1.71 CCCOc1ccc(cc1)NC 34a_100000182112_100000210303 [0,2,0,0,0,0|0,0,2]=4 6057 B12R1.71 CCCOc1ccc(cc1)NC 34a_100000748631_200000210301 [0,2,0,0,0,0|0,0,2]=4 6058 B12R1.71 CCCOc1ccc(cc1)N[13CH3] 34a_100000748631_200025704644 [0,2,0,0,0,0|0,0,2]=4 6059 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000185468_200000210301 [0,2,0,0,0,0|0,0,2]=4 6060 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000210503_100000210303 [0,2,0,0,0,0|0,0,2]=4 6061 B12R1.71 CCCOc1ccc(cc1)OC 7a_100000185468_200000210301 [0,2,0,0,0,0|0,0,2]=4 6062 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 34a_100000185468_200025704644 [0,2,0,0,0,0|0,0,2]=4 6063 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 7a_100000185468_200025704644 [0,2,0,0,0,0|0,0,2]=4 6064 B12R1.71 CCCOc1ccc(cc1)SC 34a_100000211864_100000210303 [0,2,0,0,0,0|0,0,2]=4 6065 B12R1.71 CCCOc1ccc(cc1)SC 62a_100000169948_200000210301 [0,2,0,0,0,0|0,0,2]=4 6066 B12R1.71 CCCOc1ccc(cc1)SC 62a_200000210301_100000169948 [0,2,0,0,0,0|0,0,2]=4 6067 B12R1.71 CCCOc1ccc(cc1)S[13CH3] 62a_100000169948_200025704644 [0,2,0,0,0,0|0,0,2]=4 6068 B12R1.71 CCCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000169948 [0,2,0,0,0,0|0,0,2]=4 6069 B12R1.71 CCc1ccc(cc1)NCC=O 2230a_100000211069_200015260668 [0,2,0,0,0,0|2,0,0]=4 6070 B12R1.71 CCc1ccc(cc1)NCC=O 34a_100000211069_200009817547 [0,2,0,0,0,0|2,0,0]=4 6071 B12R1.71 CCc1ccc(cc1)OCC#N 7a_100000211359_100011215382 [0,2,0,0,0,0|1,0,1]=4 6072 B12R1.71 CCc1ccc(cc1)OCC=O 34a_100000211359_200009817547 [0,2,0,0,0,0|1,0,0]=3 6073 B12R1.71 CCc1ccc(cc1)OCC=O 7a_100000211359_200015260668 [0,2,0,0,0,0|1,0,0]=3 6074 B12R1.71 CCc1ccc(cc1)OCCF 34a_100000211359_100011217306 [0,2,0,0,0,0|1,0,1]=4 6075 B12R1.71 CCc1ccc(cc1)OCCF 7a_100000211359_100011217306 [0,2,0,0,0,0|1,0,1]=4 6076 B12R1.71 CCc1ccc(cc1)OCCO 34a_100000211359_100000211926 [0,2,0,0,0,0|1,0,1]=4 6077 B12R1.71 CCc1ccc(cc1)OCCO 7a_100000211359_100000211926 [0,2,0,0,0,0|1,0,1]=4 6078 B12R1.71 CCc1ccc(cc1)OCSC 34a_100000211359_100011218213 [0,2,0,0,0,0|1,0,1]=4 6079 B12R1.71 CCc1ccc(cc1)SCC=O 62a_100011215824_200015260668 [0,2,0,0,0,0|1,1,0]=4 6080 B12R1.71 CCc1ccc(cc1)SCC=O 62a_200015260668_100011215824 [0,2,0,0,0,0|1,1,0]=4 6081 B12R1.71 CNc1ccc(cc1)OCC=O 34a_100000182112_200009817547 [0,2,0,0,0,0|1,0,0]=3 6082 B12R1.71 CNc1ccc(cc1)OCCF 34a_100000182112_100011217306 [0,2,0,0,0,0|1,0,1]=4 6083 B12R1.71 CNc1ccc(cc1)OCCF 34a_100012282086_200000210301 [0,2,0,0,0,0|1,0,1]=4 6084 B12R1.71 CNc1ccc(cc1)OCCO 2230a_100000754363_200000210301 [0,2,0,0,0,0|1,0,1]=4 6085 B12R1.71 CNc1ccc(cc1)OCCO 34a_100000182112_100000211926 [0,2,0,0,0,0|1,0,1]=4 6086 B12R1.71 CNc1ccc(cc1)OCCO 34a_100000754363_200000210301 [0,2,0,0,0,0|1,0,1]=4 6087 B12R1.71 CNc1ccc(cc1)OCSC 34a_100000182112_100011218213 [0,2,0,0,0,0|1,0,1]=4 6088 B12R1.71 CNc1ccc(cc1)SCC=O 62a_100000743151_200015260668 [0,2,0,0,0,0|1,1,0]=4 6089 B12R1.71 CNc1ccc(cc1)SCC=O 62a_200015260668_100000743151 [0,2,0,0,0,0|1,1,0]=4 6090 B12R1.71 COCOc1ccc(cc1)OC 34a_200012265912_200000210301 [0,2,0,0,0,0|1,0,1]=4 6091 B12R1.71 COCOc1ccc(cc1)O[13CH3] 34a_200012265912_200025704644 [0,2,0,0,0,0|1,0,1]=4 6092 B12R1.71 COCOc1ccc(cc1)SC 62a_100012265687_200000210301 [0,2,0,0,0,0|1,0,1]=4 6093 B12R1.71 COCOc1ccc(cc1)SC 62a_200000210301_100012265687 [0,2,0,0,0,0|1,0,1]=4 6094 B12R1.71 COCOc1ccc(cc1)S[13CH3] 62a_100012265687_200025704644 [0,2,0,0,0,0|1,0,1]=4 6095 B12R1.71 COCOc1ccc(cc1)S[13CH3] 62a_200025704644_100012265687 [0,2,0,0,0,0|1,0,1]=4 6096 B12R1.71 COc1ccc(cc1)NCC=O 34a_100000184247_200009817547 [0,2,0,0,0,0|2,0,0]=4 6097 B12R1.71 COc1ccc(cc1)OCC=O 34a_100000210503_200009817547 [0,2,0,0,0,0|1,0,0]=3 6098 B12R1.71 COc1ccc(cc1)OCCF 34a_100000210503_100011217306 [0,2,0,0,0,0|1,0,1]=4 6099 B12R1.71 COc1ccc(cc1)OCCO 34a_100000210503_100000211926 [0,2,0,0,0,0|1,0,1]=4 6100 B12R1.71 COc1ccc(cc1)OCSC 34a_100000210503_100011218213 [0,2,0,0,0,0|1,0,1]=4 6101 B12R1.71 COc1ccc(cc1)SCC=O 62a_200015260668_100000171711 [0,2,0,0,0,0|1,1,0]=4 6102 B12R1.71 COc1ccc(cn1)OCC=O 34a_100011934560_200009817547 [0,2,0,0,0,0|2,0,0]=4 6103 B12R1.71 COc1ccc(nc1)OCC=O 34a_100012002028_200009817547 [0,2,0,0,0,0|2,0,0]=4 6104 B12R1.71 CSCOc1ccc(cc1)C#N 34a_100000210344_100011218213 [0,2,0,0,0,0|1,0,1]=4 6105 B12R1.71 CSCOc1ccc(cc1)CN 34a_100000185549_100011218213 [0,2,0,0,0,0|1,0,1]=4 6106 B12R1.71 CSCOc1ccc(cc1)CO 34a_100000211755_100011218213 [0,2,0,0,0,0|1,0,1]=4 6107 B12R1.71 CSCOc1ccc(cc1)SC 34a_100000211864_100011218213 [0,2,0,0,0,0|1,0,1]=4 6108 B12R1.71 CSc1ccc(cc1)CCC=O 62a_100011361538_200000210301 [0,2,0,0,0,0|2,0,0]=4 6109 B12R1.71 CSc1ccc(cc1)CCC=O 62a_200000210301_100011361538 [0,2,0,0,0,0|2,0,0]=4 6110 B12R1.71 CSc1ccc(cc1)NCC=O 34a_100000212337_200009817547 [0,2,0,0,0,0|2,0,0]=4 6111 B12R1.71 CSc1ccc(cc1)OCC#N 62a_200000169425_200000210301 [0,2,0,0,0,0|1,0,1]=4 6112 B12R1.71 CSc1ccc(cc1)OCC#N 62a_200000210301_200000169425 [0,2,0,0,0,0|1,0,1]=4 6113 B12R1.71 CSc1ccc(cc1)OCC=O 34a_100000211864_200009817547 [0,2,0,0,0,0|1,0,0]=3 6114 B12R1.71 CSc1ccc(cc1)OCCF 34a_100000211864_100011217306 [0,2,0,0,0,0|1,0,1]=4 6115 B12R1.71 CSc1ccc(cc1)OCCF 62a_100012347556_200000210301 [0,2,0,0,0,0|1,0,1]=4 6116 B12R1.71 CSc1ccc(cc1)OCCF 62a_200000210301_100012347556 [0,2,0,0,0,0|1,0,1]=4 6117 B12R1.71 CSc1ccc(cc1)OCCN 62a_100000746992_200000210301 [0,2,0,0,0,0|1,0,1]=4 6118 B12R1.71 CSc1ccc(cc1)OCCN 62a_200000210301_100000746992 [0,2,0,0,0,0|1,0,1]=4 6119 B12R1.71 CSc1ccc(cc1)OCCO 34a_100000211864_100000211926 [0,2,0,0,0,0|1,0,1]=4 6120 B12R1.71 CSc1ccc(cc1)OCCO 62a_100000686261_200000210301 [0,2,0,0,0,0|1,0,1]=4 6121 B12R1.71 CSc1ccc(cc1)OCCO 62a_200000210301_100000686261 [0,2,0,0,0,0|1,0,1]=4 6122 B12R1.71 CSc1ccc(cc1)SCC=O 62a_100011263217_200015260668 [0,2,0,0,0,0|1,1,0]=4 6123 B12R1.71 CSc1ccc(cc1)SCC=O 62a_200015260668_100011263217 [0,2,0,0,0,0|1,1,0]=4 6124 B12R1.71 N#CCOc1ccc(cc1)C#N 7a_100000210344_100011215382 [0,2,0,0,0,0|1,0,1]=4 6125 B12R1.71 N#Cc1ccc(cc1)NCC=O 34a_100000185469_200009817547 [0,2,0,0,0,0|2,0,0]=4 6126 B12R1.71 N#Cc1ccc(cc1)OCC=O 34a_100000210344_200009817547 [0,2,0,0,0,0|1,0,0]=3 6127 B12R1.71 N#Cc1ccc(cc1)OCC=O 7a_100000210344_200015260668 [0,2,0,0,0,0|1,0,0]=3 6128 B12R1.71 N#Cc1ccc(cc1)OCCF 34a_100000210344_100011217306 [0,2,0,0,0,0|1,0,1]=4 6129 B12R1.71 N#Cc1ccc(cc1)OCCF 7a_100000210344_100011217306 [0,2,0,0,0,0|1,0,1]=4 6130 B12R1.71 N#Cc1ccc(cc1)OCCO 34a_100000210344_100000211926 [0,2,0,0,0,0|1,0,1]=4 6131 B12R1.71 N#Cc1ccc(cc1)OCCO 7a_100000210344_100000211926 [0,2,0,0,0,0|1,0,1]=4 6132 B12R1.71 N#Cc1ccc(cc1)SCC=O 62a_200015260668_100000184291 [0,2,0,0,0,0|1,1,0]=4 6133 B12R1.71 N#Cc1ccc(cn1)OCC=O 34a_100011934750_200009817547 [0,2,0,0,0,0|2,0,0]=4 6134 B12R1.71 N#Cc1ccc(cn1)OCC=O 7a_100011934750_200015260668 [0,2,0,0,0,0|2,0,0]=4 6135 B12R1.71 NCc1ccc(cc1)OCC=O 34a_100000185549_200009817547 [0,2,0,0,0,0|1,0,0]=3 6136 B12R1.71 NCc1ccc(cc1)OCCF 34a_100000185549_100011217306 [0,2,0,0,0,0|1,0,1]=4 6137 B12R1.71 NCc1ccc(cc1)OCCO 34a_100000185549_100000211926 [0,2,0,0,0,0|1,0,1]=4 6138 B12R1.71 NCc1ccc(cc1)SCC=O 62a_100016989417_200015260668 [0,2,0,0,0,0|1,1,0]=4 6139 B12R1.71 NCc1ccc(cc1)SCC=O 62a_200015260668_100016989417 [0,2,0,0,0,0|1,1,0]=4 6140 B12R1.71 NCc1ccc(cn1)OCC=O 34a_100020605196_200009817547 [0,2,0,0,0,0|2,0,0]=4 6141 B12R1.71 NCc1ccc(nc1)OCC=O 34a_100000757128_200009817547 [0,2,0,0,0,0|2,0,0]=4 6142 B12R1.71 NNc1ccc(cc1)SCC=O 62a_100016988836_200015260668 [0,2,0,0,0,0|1,1,0]=4 6143 B12R1.71 NNc1ccc(cc1)SCC=O 62a_200015260668_100016988836 [0,2,0,0,0,0|1,1,0]=4 6144 B12R1.71 O=CCNc1ccc(cc1)CO 2230a_100011215238_200015260668 [0,2,0,0,0,0|2,0,0]=4 6145 B12R1.71 O=CCNc1ccc(cc1)CO 34a_100011215238_200009817547 [0,2,0,0,0,0|2,0,0]=4 6146 B12R1.71 O=CCOc1ccc(cc1)CO 34a_100000211755_200009817547 [0,2,0,0,0,0|1,0,0]=3 6147 B12R1.71 O=CCOc1ccc(nc1)CO 34a_103436540053_200009817547 [0,2,0,0,0,0|2,0,0]=4 6148 B12R1.71 O=CCSc1ccc(cc1)C=O 62a_100000188517_200015260668 [0,2,0,0,0,0|1,1,0]=4 6149 B12R1.71 O=CCSc1ccc(cc1)C=O 62a_200015260668_100000188517 [0,2,0,0,0,0|1,1,0]=4 6150 B12R1.71 O=CCSc1ccc(cc1)CF 62a_100010268989_200015260668 [0,2,0,0,0,0|1,1,0]=4 6151 B12R1.71 O=CCSc1ccc(cc1)CF 62a_200015260668_100010268989 [0,2,0,0,0,0|1,1,0]=4 6152 B12R1.71 O=CCSc1ccc(cc1)CO 62a_100000690907_200015260668 [0,2,0,0,0,0|1,1,0]=4 6153 B12R1.71 O=CCSc1ccc(cc1)CO 62a_200015260668_100000690907 [0,2,0,0,0,0|1,1,0]=4 6154 B12R1.71 OCCOc1ccc(cc1)CO 34a_100000211755_100000211926 [0,2,0,0,0,0|1,0,1]=4 6155 B12R1.71 OCc1ccc(cc1)OCCF 34a_100000211755_100011217306 [0,2,0,0,0,0|1,0,1]=4 6156 B12R1.71 [13CH3]Nc1ccc(cc1)OCCF 34a_100012282086_200025704644 [0,2,0,0,0,0|1,0,1]=4 6157 B12R1.71 [13CH3]Nc1ccc(cc1)OCCO 2230a_100000754363_200025704644 [0,2,0,0,0,0|1,0,1]=4 6158 B12R1.71 [13CH3]Nc1ccc(cc1)OCCO 34a_100000754363_200025704644 [0,2,0,0,0,0|1,0,1]=4 6159 B12R1.71 [13CH3]Sc1ccc(cc1)CCC=O 62a_100011361538_200025704644 [0,2,0,0,0,0|2,0,0]=4 6160 B12R1.71 [13CH3]Sc1ccc(cc1)CCC=O 62a_200025704644_100011361538 [0,2,0,0,0,0|2,0,0]=4 6161 B12R1.71 [13CH3]Sc1ccc(cc1)OCC#N 62a_200000169425_200025704644 [0,2,0,0,0,0|1,0,1]=4 6162 B12R1.71 [13CH3]Sc1ccc(cc1)OCC#N 62a_200025704644_200000169425 [0,2,0,0,0,0|1,0,1]=4 6163 B12R1.71 [13CH3]Sc1ccc(cc1)OCCF 62a_100012347556_200025704644 [0,2,0,0,0,0|1,0,1]=4 6164 B12R1.71 [13CH3]Sc1ccc(cc1)OCCF 62a_200025704644_100012347556 [0,2,0,0,0,0|1,0,1]=4 6165 B12R1.71 [13CH3]Sc1ccc(cc1)OCCN 62a_100000746992_200025704644 [0,2,0,0,0,0|1,0,1]=4 6166 B12R1.71 [13CH3]Sc1ccc(cc1)OCCN 62a_200025704644_100000746992 [0,2,0,0,0,0|1,0,1]=4 6167 B12R1.71 [13CH3]Sc1ccc(cc1)OCCO 62a_100000686261_200025704644 [0,2,0,0,0,0|1,0,1]=4 6168 B12R1.71 [13CH3]Sc1ccc(cc1)OCCO 62a_200025704644_100000686261 [0,2,0,0,0,0|1,0,1]=4 6169 B12R1.385 C#CCOc1ccc(c(c1)Br)C 34a_100011380479_100000184674 [0,2,0,0,0,0|0,0,2]=4 6170 B12R1.385 C#CCOc1ccc(c(c1)Br)C 7a_100011380479_100000038162 [0,2,0,0,0,0|0,0,2]=4 6171 B12R1.385 C#CCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000184674 [0,2,0,0,0,0|0,0,2]=4 6172 B12R1.385 C#CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000038162 [0,2,0,0,0,0|0,0,2]=4 6173 B12R1.385 C#CCOc1ccc(c(c1)Br)F 34a_100000693481_100000184674 [0,2,0,0,0,0|0,0,2]=4 6174 B12R1.385 C#CCOc1ccc(c(c1)Br)F 7a_100000693481_100000038162 [0,2,0,0,0,0|0,0,2]=4 6175 B12R1.385 C#CCOc1ccc(c(c1)Br)I 34a_100000701344_100000184674 [0,2,0,0,0,0|0,0,2]=4 6176 B12R1.385 C#CCOc1ccc(c(c1)Br)I 7a_100000701344_100000038162 [0,2,0,0,0,0|0,0,2]=4 6177 B12R1.385 C#CCOc1ccc(c(c1)Br)N 34a_100012001276_100000184674 [0,2,0,0,0,0|0,0,2]=4 6178 B12R1.385 C#CCOc1ccc(c(c1)Br)N 7a_100012001276_100000038162 [0,2,0,0,0,0|0,0,2]=4 6179 B12R1.385 C#CCOc1ccc(c(c1)C)Br 34a_100000690111_100000184674 [0,2,0,0,0,0|0,0,2]=4 6180 B12R1.385 C#CCOc1ccc(c(c1)C)Br 7a_100000690111_100000038162 [0,2,0,0,0,0|0,0,2]=4 6181 B12R1.385 C#CCOc1ccc(c(c1)C)C 34a_100000210932_100000184674 [0,2,0,0,0,0|0,0,2]=4 6182 B12R1.385 C#CCOc1ccc(c(c1)C)C 7a_100000210932_100000038162 [0,2,0,0,0,0|0,0,2]=4 6183 B12R1.385 C#CCOc1ccc(c(c1)C)Cl 34a_100000211092_100000184674 [0,2,0,0,0,0|0,0,2]=4 6184 B12R1.385 C#CCOc1ccc(c(c1)C)Cl 7a_100000211092_100000038162 [0,2,0,0,0,0|0,0,2]=4 6185 B12R1.385 C#CCOc1ccc(c(c1)C)F 34a_100000751312_100000184674 [0,2,0,0,0,0|0,0,2]=4 6186 B12R1.385 C#CCOc1ccc(c(c1)C)F 7a_100000751312_100000038162 [0,2,0,0,0,0|0,0,2]=4 6187 B12R1.385 C#CCOc1ccc(c(c1)C)I 34a_100000729255_100000184674 [0,2,0,0,0,0|0,0,2]=4 6188 B12R1.385 C#CCOc1ccc(c(c1)C)I 7a_100000729255_100000038162 [0,2,0,0,0,0|0,0,2]=4 6189 B12R1.385 C#CCOc1ccc(c(c1)C)N 34a_100000756630_100000184674 [0,2,0,0,0,0|0,0,2]=4 6190 B12R1.385 C#CCOc1ccc(c(c1)C)N 7a_100000756630_100000038162 [0,2,0,0,0,0|0,0,2]=4 6191 B12R1.385 C#CCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000184674 [0,2,0,0,0,0|0,0,2]=4 6192 B12R1.385 C#CCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000038162 [0,2,0,0,0,0|0,0,2]=4 6193 B12R1.385 C#CCOc1ccc(c(c1)Cl)C 34a_100011265682_100000184674 [0,2,0,0,0,0|0,0,2]=4 6194 B12R1.385 C#CCOc1ccc(c(c1)Cl)C 7a_100011265682_100000038162 [0,2,0,0,0,0|0,0,2]=4 6195 B12R1.385 C#CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000184674 [0,2,0,0,0,0|0,0,2]=4 6196 B12R1.385 C#CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000038162 [0,2,0,0,0,0|0,0,2]=4 6197 B12R1.385 C#CCOc1ccc(c(c1)Cl)F 34a_100000211030_100000184674 [0,2,0,0,0,0|0,0,2]=4 6198 B12R1.385 C#CCOc1ccc(c(c1)Cl)F 7a_100000211030_100000038162 [0,2,0,0,0,0|0,0,2]=4 6199 B12R1.385 C#CCOc1ccc(c(c1)Cl)I 34a_100000047559_100000184674 [0,2,0,0,0,0|0,0,2]=4 6200 B12R1.385 C#CCOc1ccc(c(c1)Cl)I 7a_100000047559_100000038162 [0,2,0,0,0,0|0,0,2]=4 6201 B12R1.385 C#CCOc1ccc(c(c1)Cl)N 34a_100011215599_100000184674 [0,2,0,0,0,0|0,0,2]=4 6202 B12R1.385 C#CCOc1ccc(c(c1)Cl)N 7a_100011215599_100000038162 [0,2,0,0,0,0|0,0,2]=4 6203 B12R1.385 C#CCOc1ccc(c(c1)F)Br 34a_100000755031_100000184674 [0,2,0,0,0,0|0,0,2]=4 6204 B12R1.385 C#CCOc1ccc(c(c1)F)Br 7a_100000755031_100000038162 [0,2,0,0,0,0|0,0,2]=4 6205 B12R1.385 C#CCOc1ccc(c(c1)F)C 34a_100000722560_100000184674 [0,2,0,0,0,0|0,0,2]=4 6206 B12R1.385 C#CCOc1ccc(c(c1)F)C 7a_100000722560_100000038162 [0,2,0,0,0,0|0,0,2]=4 6207 B12R1.385 C#CCOc1ccc(c(c1)F)Cl 34a_100000691581_100000184674 [0,2,0,0,0,0|0,0,2]=4 6208 B12R1.385 C#CCOc1ccc(c(c1)F)Cl 7a_100000691581_100000038162 [0,2,0,0,0,0|0,0,2]=4 6209 B12R1.385 C#CCOc1ccc(c(c1)F)F 34a_100000181275_100000184674 [0,2,0,0,0,0|0,0,2]=4 6210 B12R1.385 C#CCOc1ccc(c(c1)F)F 7a_100000181275_100000038162 [0,2,0,0,0,0|0,0,2]=4 6211 B12R1.385 C#CCOc1ccc(c(c1)F)I 34a_100009990212_100000184674 [0,2,0,0,0,0|0,0,2]=4 6212 B12R1.385 C#CCOc1ccc(c(c1)F)I 7a_100009990212_100000038162 [0,2,0,0,0,0|0,0,2]=4 6213 B12R1.385 C#CCOc1ccc(c(c1)F)N 34a_100000759473_100000184674 [0,2,0,0,0,0|0,0,2]=4 6214 B12R1.385 C#CCOc1ccc(c(c1)F)N 7a_100000759473_100000038162 [0,2,0,0,0,0|0,0,2]=4 6215 B12R1.385 C#CCOc1ccc(c(c1)I)Br 34a_100012339312_100000184674 [0,2,0,0,0,0|0,0,2]=4 6216 B12R1.385 C#CCOc1ccc(c(c1)I)Br 7a_100012339312_100000038162 [0,2,0,0,0,0|0,0,2]=4 6217 B12R1.385 C#CCOc1ccc(c(c1)I)Cl 34a_100000049588_100000184674 [0,2,0,0,0,0|0,0,2]=4 6218 B12R1.385 C#CCOc1ccc(c(c1)I)Cl 7a_100000049588_100000038162 [0,2,0,0,0,0|0,0,2]=4 6219 B12R1.385 C#CCOc1ccc(c(c1)I)N 34a_100010084370_100000184674 [0,2,0,0,0,0|0,0,2]=4 6220 B12R1.385 C#CCOc1ccc(c(c1)I)N 7a_100010084370_100000038162 [0,2,0,0,0,0|0,0,2]=4 6221 B12R1.385 C#CCOc1ccc(c(c1)N)Br 34a_100011999798_100000184674 [0,2,0,0,0,0|0,0,2]=4 6222 B12R1.385 C#CCOc1ccc(c(c1)N)Br 7a_100011999798_100000038162 [0,2,0,0,0,0|0,0,2]=4 6223 B12R1.385 C#CCOc1ccc(c(c1)N)C 34a_100011216113_100000184674 [0,2,0,0,0,0|0,0,2]=4 6224 B12R1.385 C#CCOc1ccc(c(c1)N)C 7a_100011216113_100000038162 [0,2,0,0,0,0|0,0,2]=4 6225 B12R1.385 C#CCOc1ccc(c(c1)N)Cl 34a_100011934297_100000184674 [0,2,0,0,0,0|0,0,2]=4 6226 B12R1.385 C#CCOc1ccc(c(c1)N)F 34a_100012017239_100000184674 [0,2,0,0,0,0|0,0,2]=4 6227 B12R1.385 C#CCOc1ccc(c(c1)N)F 7a_100012017239_100000038162 [0,2,0,0,0,0|0,0,2]=4 6228 B12R1.385 C#CCOc1ccc(c(c1)N)N 34a_100025771000_100000184674 [0,2,0,0,0,0|0,0,2]=4 6229 B12R1.385 C=CCNc1cc(c(cn1)C)F 27a_100020586998_100009841206 [0,2,0,0,0,0|2,0,0]=4 6230 B12R1.385 C=CCNc1ccc(c(c1)Br)Br 2230a_100011306057_100000210623 [0,2,0,0,0,0|1,0,0]=3 6231 B12R1.385 C=CCNc1ccc(c(c1)Br)Br 34a_100011306057_100015514636 [0,2,0,0,0,0|1,0,0]=3 6232 B12R1.385 C=CCNc1ccc(c(c1)Br)Br 7a_100011306057_100015514636 [0,2,0,0,0,0|1,0,0]=3 6233 B12R1.385 C=CCNc1ccc(c(c1)Br)C 2230a_100000736455_100000210623 [0,2,0,0,0,0|1,0,0]=3 6234 B12R1.385 C=CCNc1ccc(c(c1)Br)C 34a_100000736455_100015514636 [0,2,0,0,0,0|1,0,0]=3 6235 B12R1.385 C=CCNc1ccc(c(c1)Br)C 7a_100000736455_100015514636 [0,2,0,0,0,0|1,0,0]=3 6236 B12R1.385 C=CCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000210623 [0,2,0,0,0,0|1,0,0]=3 6237 B12R1.385 C=CCNc1ccc(c(c1)Br)Cl 34a_100000686031_100015514636 [0,2,0,0,0,0|1,0,0]=3 6238 B12R1.385 C=CCNc1ccc(c(c1)Br)F 2230a_100000760356_100000210623 [0,2,0,0,0,0|1,0,0]=3 6239 B12R1.385 C=CCNc1ccc(c(c1)Br)F 34a_100000760356_100015514636 [0,2,0,0,0,0|1,0,0]=3 6240 B12R1.385 C=CCNc1ccc(c(c1)Br)F 7a_100000760356_100015514636 [0,2,0,0,0,0|1,0,0]=3 6241 B12R1.385 C=CCNc1ccc(c(c1)Br)I 34a_100000750458_100015514636 [0,2,0,0,0,0|1,0,0]=3 6242 B12R1.385 C=CCNc1ccc(c(c1)Br)O 34a_100011534360_100015514636 [0,2,0,0,0,0|1,0,0]=3 6243 B12R1.385 C=CCNc1ccc(c(c1)C)Br 2230a_100000210723_100000210623 [0,2,0,0,0,0|1,0,0]=3 6244 B12R1.385 C=CCNc1ccc(c(c1)C)Br 34a_100000210723_100015514636 [0,2,0,0,0,0|1,0,0]=3 6245 B12R1.385 C=CCNc1ccc(c(c1)C)Br 7a_100000210723_100015514636 [0,2,0,0,0,0|1,0,0]=3 6246 B12R1.385 C=CCNc1ccc(c(c1)C)C 2230a_100000724040_100000210623 [0,2,0,0,0,0|1,0,0]=3 6247 B12R1.385 C=CCNc1ccc(c(c1)C)C 34a_100000724040_100015514636 [0,2,0,0,0,0|1,0,0]=3 6248 B12R1.385 C=CCNc1ccc(c(c1)C)C 7a_100000724040_100015514636 [0,2,0,0,0,0|1,0,0]=3 6249 B12R1.385 C=CCNc1ccc(c(c1)C)Cl 2230a_100000187808_100000210623 [0,2,0,0,0,0|1,0,0]=3 6250 B12R1.385 C=CCNc1ccc(c(c1)C)Cl 34a_100000187808_100015514636 [0,2,0,0,0,0|1,0,0]=3 6251 B12R1.385 C=CCNc1ccc(c(c1)C)Cl 7a_100000187808_100015514636 [0,2,0,0,0,0|1,0,0]=3 6252 B12R1.385 C=CCNc1ccc(c(c1)C)F 2230a_100000750164_100000210623 [0,2,0,0,0,0|1,0,0]=3 6253 B12R1.385 C=CCNc1ccc(c(c1)C)F 34a_100000750164_100015514636 [0,2,0,0,0,0|1,0,0]=3 6254 B12R1.385 C=CCNc1ccc(c(c1)C)F 7a_100000750164_100015514636 [0,2,0,0,0,0|1,0,0]=3 6255 B12R1.385 C=CCNc1ccc(c(c1)C)I 34a_100000198070_100015514636 [0,2,0,0,0,0|1,0,0]=3 6256 B12R1.385 C=CCNc1ccc(c(c1)C)I 7a_100000198070_100015514636 [0,2,0,0,0,0|1,0,0]=3 6257 B12R1.385 C=CCNc1ccc(c(c1)C)O 34a_100011218179_100015514636 [0,2,0,0,0,0|1,0,0]=3 6258 B12R1.385 C=CCNc1ccc(c(c1)C)O 7a_100011218179_100015514636 [0,2,0,0,0,0|1,0,0]=3 6259 B12R1.385 C=CCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000210623 [0,2,0,0,0,0|1,0,0]=3 6260 B12R1.385 C=CCNc1ccc(c(c1)Cl)Br 34a_100000687081_100015514636 [0,2,0,0,0,0|1,0,0]=3 6261 B12R1.385 C=CCNc1ccc(c(c1)Cl)Br 7a_100000687081_100015514636 [0,2,0,0,0,0|1,0,0]=3 6262 B12R1.385 C=CCNc1ccc(c(c1)Cl)C 2230a_100000188892_100000210623 [0,2,0,0,0,0|1,0,0]=3 6263 B12R1.385 C=CCNc1ccc(c(c1)Cl)C 34a_100000188892_100015514636 [0,2,0,0,0,0|1,0,0]=3 6264 B12R1.385 C=CCNc1ccc(c(c1)Cl)C 7a_100000188892_100015514636 [0,2,0,0,0,0|1,0,0]=3 6265 B12R1.385 C=CCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000210623 [0,2,0,0,0,0|1,0,0]=3 6266 B12R1.385 C=CCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100015514636 [0,2,0,0,0,0|1,0,0]=3 6267 B12R1.385 C=CCNc1ccc(c(c1)Cl)F 2230a_100000211060_100000210623 [0,2,0,0,0,0|1,0,0]=3 6268 B12R1.385 C=CCNc1ccc(c(c1)Cl)F 34a_100000211060_100015514636 [0,2,0,0,0,0|1,0,0]=3 6269 B12R1.385 C=CCNc1ccc(c(c1)Cl)F 7a_100000211060_100015514636 [0,2,0,0,0,0|1,0,0]=3 6270 B12R1.385 C=CCNc1ccc(c(c1)Cl)I 34a_100000761885_100015514636 [0,2,0,0,0,0|1,0,0]=3 6271 B12R1.385 C=CCNc1ccc(c(c1)Cl)O 34a_100000744943_100015514636 [0,2,0,0,0,0|1,0,0]=3 6272 B12R1.385 C=CCNc1ccc(c(c1)F)Br 2230a_100000759894_100000210623 [0,2,0,0,0,0|1,0,0]=3 6273 B12R1.385 C=CCNc1ccc(c(c1)F)Br 34a_100000759894_100015514636 [0,2,0,0,0,0|1,0,0]=3 6274 B12R1.385 C=CCNc1ccc(c(c1)F)Br 7a_100000759894_100015514636 [0,2,0,0,0,0|1,0,0]=3 6275 B12R1.385 C=CCNc1ccc(c(c1)F)C 2230a_100000210958_100000210623 [0,2,0,0,0,0|1,0,0]=3 6276 B12R1.385 C=CCNc1ccc(c(c1)F)C 34a_100000210958_100015514636 [0,2,0,0,0,0|1,0,0]=3 6277 B12R1.385 C=CCNc1ccc(c(c1)F)C 7a_100000210958_100015514636 [0,2,0,0,0,0|1,0,0]=3 6278 B12R1.385 C=CCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000210623 [0,2,0,0,0,0|1,0,0]=3 6279 B12R1.385 C=CCNc1ccc(c(c1)F)Cl 34a_100000739366_100015514636 [0,2,0,0,0,0|1,0,0]=3 6280 B12R1.385 C=CCNc1ccc(c(c1)F)Cl 7a_100000739366_100015514636 [0,2,0,0,0,0|1,0,0]=3 6281 B12R1.385 C=CCNc1ccc(c(c1)F)F 2230a_100000210724_100000210623 [0,2,0,0,0,0|1,0,0]=3 6282 B12R1.385 C=CCNc1ccc(c(c1)F)F 34a_100000210724_100015514636 [0,2,0,0,0,0|1,0,0]=3 6283 B12R1.385 C=CCNc1ccc(c(c1)F)F 7a_100000210724_100015514636 [0,2,0,0,0,0|1,0,0]=3 6284 B12R1.385 C=CCNc1ccc(c(c1)F)I 34a_100011356925_100015514636 [0,2,0,0,0,0|1,0,0]=3 6285 B12R1.385 C=CCNc1ccc(c(c1)F)I 7a_100011356925_100015514636 [0,2,0,0,0,0|1,0,0]=3 6286 B12R1.385 C=CCNc1ccc(c(c1)F)O 34a_100011220035_100015514636 [0,2,0,0,0,0|1,0,0]=3 6287 B12R1.385 C=CCNc1ccc(c(c1)F)O 7a_100011220035_100015514636 [0,2,0,0,0,0|1,0,0]=3 6288 B12R1.385 C=CCNc1ccc(c(c1)I)Br 34a_100000750459_100015514636 [0,2,0,0,0,0|1,0,0]=3 6289 B12R1.385 C=CCNc1ccc(c(c1)I)C 34a_100000184131_100015514636 [0,2,0,0,0,0|1,0,0]=3 6290 B12R1.385 C=CCNc1ccc(c(c1)I)C 7a_100000184131_100015514636 [0,2,0,0,0,0|1,0,0]=3 6291 B12R1.385 C=CCNc1ccc(c(c1)I)Cl 34a_100012360549_100015514636 [0,2,0,0,0,0|1,0,0]=3 6292 B12R1.385 C=CCNc1ccc(c(c1)I)F 34a_114828291077_100015514636 [0,2,0,0,0,0|1,0,0]=3 6293 B12R1.385 C=CCNc1ccc(c(c1)I)F 7a_114828291077_100015514636 [0,2,0,0,0,0|1,0,0]=3 6294 B12R1.385 C=CCNc1ccc(c(c1)O)C 34a_100000759471_100015514636 [0,2,0,0,0,0|1,0,0]=3 6295 B12R1.385 C=CCNc1ccc(c(c1)O)C 7a_100000759471_100015514636 [0,2,0,0,0,0|1,0,0]=3 6296 B12R1.385 C=CCNc1ccc(c(c1)O)Cl 34a_100011934209_100015514636 [0,2,0,0,0,0|1,0,0]=3 6297 B12R1.385 C=CCNc1ccc(c(c1)O)F 34a_100012017398_100015514636 [0,2,0,0,0,0|1,0,0]=3 6298 B12R1.385 C=CCNc1ccc(c(c1)O)F 7a_100012017398_100015514636 [0,2,0,0,0,0|1,0,0]=3 6299 B12R1.385 C=CCNc1ccc(c(c1)O)O 34a_100102946323_100015514636 [0,2,0,0,0,0|1,0,0]=3 6300 B12R1.385 C=CCNc1ccc(c(n1)F)Br 27a_100020586998_100010134343 [0,2,0,0,0,0|2,0,0]=4 6301 B12R1.385 C=CCNc1ccn(c(=O)c1)C 27a_100020586998_100009820031 [0,2,0,0,0,0|2,0,0]=4 6302 B12R1.385 C=CCOc1cc(c(cn1)Br)C 34a_100000766222_100015514636 [0,2,0,0,0,0|1,0,0]=3 6303 B12R1.385 C=CCOc1cc(c(cn1)Br)Cl 34a_100010369989_100015514636 [0,2,0,0,0,0|1,0,0]=3 6304 B12R1.385 C=CCOc1cc(c(cn1)C)Br 34a_100009831917_100015514636 [0,2,0,0,0,0|1,0,0]=3 6305 B12R1.385 C=CCOc1cc(c(cn1)Cl)C 34a_200000085746_100015514636 [0,2,0,0,0,0|1,0,0]=3 6306 B12R1.385 C=CCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100015514636 [0,2,0,0,0,0|1,0,0]=3 6307 B12R1.385 C=CCOc1ccc(c(c1)Br)C 34a_100011380479_100015514636 [0,2,0,0,0,0|0,0,0]=2 6308 B12R1.385 C=CCOc1ccc(c(c1)Br)C 7a_100011380479_100015514636 [0,2,0,0,0,0|0,0,0]=2 6309 B12R1.385 C=CCOc1ccc(c(c1)Br)Cl 34a_100011933957_100015514636 [0,2,0,0,0,0|0,0,0]=2 6310 B12R1.385 C=CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100015514636 [0,2,0,0,0,0|0,0,0]=2 6311 B12R1.385 C=CCOc1ccc(c(c1)Br)F 34a_100000693481_100015514636 [0,2,0,0,0,0|0,0,0]=2 6312 B12R1.385 C=CCOc1ccc(c(c1)Br)F 7a_100000693481_100015514636 [0,2,0,0,0,0|0,0,0]=2 6313 B12R1.385 C=CCOc1ccc(c(c1)Br)I 34a_100000701344_100015514636 [0,2,0,0,0,0|0,0,0]=2 6314 B12R1.385 C=CCOc1ccc(c(c1)Br)I 7a_100000701344_100015514636 [0,2,0,0,0,0|0,0,0]=2 6315 B12R1.385 C=CCOc1ccc(c(c1)Br)N 34a_100012001276_100015514636 [0,2,0,0,0,0|0,0,0]=2 6316 B12R1.385 C=CCOc1ccc(c(c1)Br)N 7a_100012001276_100015514636 [0,2,0,0,0,0|0,0,0]=2 6317 B12R1.385 C=CCOc1ccc(c(c1)C)Br 34a_100000690111_100015514636 [0,2,0,0,0,0|0,0,0]=2 6318 B12R1.385 C=CCOc1ccc(c(c1)C)Br 7a_100000690111_100015514636 [0,2,0,0,0,0|0,0,0]=2 6319 B12R1.385 C=CCOc1ccc(c(c1)C)C 34a_100000210932_100015514636 [0,2,0,0,0,0|0,0,0]=2 6320 B12R1.385 C=CCOc1ccc(c(c1)C)C 7a_100000210932_100015514636 [0,2,0,0,0,0|0,0,0]=2 6321 B12R1.385 C=CCOc1ccc(c(c1)C)Cl 34a_100000211092_100015514636 [0,2,0,0,0,0|0,0,0]=2 6322 B12R1.385 C=CCOc1ccc(c(c1)C)Cl 7a_100000211092_100015514636 [0,2,0,0,0,0|0,0,0]=2 6323 B12R1.385 C=CCOc1ccc(c(c1)C)F 34a_100000751312_100015514636 [0,2,0,0,0,0|0,0,0]=2 6324 B12R1.385 C=CCOc1ccc(c(c1)C)F 7a_100000751312_100015514636 [0,2,0,0,0,0|0,0,0]=2 6325 B12R1.385 C=CCOc1ccc(c(c1)C)I 34a_100000729255_100015514636 [0,2,0,0,0,0|0,0,0]=2 6326 B12R1.385 C=CCOc1ccc(c(c1)C)I 7a_100000729255_100015514636 [0,2,0,0,0,0|0,0,0]=2 6327 B12R1.385 C=CCOc1ccc(c(c1)C)N 34a_100000756630_100015514636 [0,2,0,0,0,0|0,0,0]=2 6328 B12R1.385 C=CCOc1ccc(c(c1)C)N 7a_100000756630_100015514636 [0,2,0,0,0,0|0,0,0]=2 6329 B12R1.385 C=CCOc1ccc(c(c1)Cl)Br 34a_100011215161_100015514636 [0,2,0,0,0,0|0,0,0]=2 6330 B12R1.385 C=CCOc1ccc(c(c1)Cl)Br 7a_100011215161_100015514636 [0,2,0,0,0,0|0,0,0]=2 6331 B12R1.385 C=CCOc1ccc(c(c1)Cl)C 34a_100011265682_100015514636 [0,2,0,0,0,0|0,0,0]=2 6332 B12R1.385 C=CCOc1ccc(c(c1)Cl)C 7a_100011265682_100015514636 [0,2,0,0,0,0|0,0,0]=2 6333 B12R1.385 C=CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100015514636 [0,2,0,0,0,0|0,0,0]=2 6334 B12R1.385 C=CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100015514636 [0,2,0,0,0,0|0,0,0]=2 6335 B12R1.385 C=CCOc1ccc(c(c1)Cl)F 34a_100000211030_100015514636 [0,2,0,0,0,0|0,0,0]=2 6336 B12R1.385 C=CCOc1ccc(c(c1)Cl)F 7a_100000211030_100015514636 [0,2,0,0,0,0|0,0,0]=2 6337 B12R1.385 C=CCOc1ccc(c(c1)Cl)I 34a_100000047559_100015514636 [0,2,0,0,0,0|0,0,0]=2 6338 B12R1.385 C=CCOc1ccc(c(c1)Cl)I 7a_100000047559_100015514636 [0,2,0,0,0,0|0,0,0]=2 6339 B12R1.385 C=CCOc1ccc(c(c1)Cl)N 34a_100011215599_100015514636 [0,2,0,0,0,0|0,0,0]=2 6340 B12R1.385 C=CCOc1ccc(c(c1)Cl)N 7a_100011215599_100015514636 [0,2,0,0,0,0|0,0,0]=2 6341 B12R1.385 C=CCOc1ccc(c(c1)F)Br 34a_100000755031_100015514636 [0,2,0,0,0,0|0,0,0]=2 6342 B12R1.385 C=CCOc1ccc(c(c1)F)Br 7a_100000755031_100015514636 [0,2,0,0,0,0|0,0,0]=2 6343 B12R1.385 C=CCOc1ccc(c(c1)F)C 34a_100000722560_100015514636 [0,2,0,0,0,0|0,0,0]=2 6344 B12R1.385 C=CCOc1ccc(c(c1)F)C 7a_100000722560_100015514636 [0,2,0,0,0,0|0,0,0]=2 6345 B12R1.385 C=CCOc1ccc(c(c1)F)Cl 34a_100000691581_100015514636 [0,2,0,0,0,0|0,0,0]=2 6346 B12R1.385 C=CCOc1ccc(c(c1)F)Cl 7a_100000691581_100015514636 [0,2,0,0,0,0|0,0,0]=2 6347 B12R1.385 C=CCOc1ccc(c(c1)F)F 34a_100000181275_100015514636 [0,2,0,0,0,0|0,0,0]=2 6348 B12R1.385 C=CCOc1ccc(c(c1)F)F 7a_100000181275_100015514636 [0,2,0,0,0,0|0,0,0]=2 6349 B12R1.385 C=CCOc1ccc(c(c1)F)I 34a_100009990212_100015514636 [0,2,0,0,0,0|0,0,0]=2 6350 B12R1.385 C=CCOc1ccc(c(c1)F)I 7a_100009990212_100015514636 [0,2,0,0,0,0|0,0,0]=2 6351 B12R1.385 C=CCOc1ccc(c(c1)F)N 34a_100000759473_100015514636 [0,2,0,0,0,0|0,0,0]=2 6352 B12R1.385 C=CCOc1ccc(c(c1)F)N 7a_100000759473_100015514636 [0,2,0,0,0,0|0,0,0]=2 6353 B12R1.385 C=CCOc1ccc(c(c1)I)Br 34a_100012339312_100015514636 [0,2,0,0,0,0|0,0,0]=2 6354 B12R1.385 C=CCOc1ccc(c(c1)I)Br 7a_100012339312_100015514636 [0,2,0,0,0,0|0,0,0]=2 6355 B12R1.385 C=CCOc1ccc(c(c1)I)Cl 34a_100000049588_100015514636 [0,2,0,0,0,0|0,0,0]=2 6356 B12R1.385 C=CCOc1ccc(c(c1)I)Cl 7a_100000049588_100015514636 [0,2,0,0,0,0|0,0,0]=2 6357 B12R1.385 C=CCOc1ccc(c(c1)I)N 34a_100010084370_100015514636 [0,2,0,0,0,0|0,0,0]=2 6358 B12R1.385 C=CCOc1ccc(c(c1)I)N 7a_100010084370_100015514636 [0,2,0,0,0,0|0,0,0]=2 6359 B12R1.385 C=CCOc1ccc(c(c1)N)Br 34a_100011999798_100015514636 [0,2,0,0,0,0|0,0,0]=2 6360 B12R1.385 C=CCOc1ccc(c(c1)N)Br 7a_100011999798_100015514636 [0,2,0,0,0,0|0,0,0]=2 6361 B12R1.385 C=CCOc1ccc(c(c1)N)C 34a_100011216113_100015514636 [0,2,0,0,0,0|0,0,0]=2 6362 B12R1.385 C=CCOc1ccc(c(c1)N)C 7a_100011216113_100015514636 [0,2,0,0,0,0|0,0,0]=2 6363 B12R1.385 C=CCOc1ccc(c(c1)N)Cl 34a_100011934297_100015514636 [0,2,0,0,0,0|0,0,0]=2 6364 B12R1.385 C=CCOc1ccc(c(c1)N)F 34a_100012017239_100015514636 [0,2,0,0,0,0|0,0,0]=2 6365 B12R1.385 C=CCOc1ccc(c(c1)N)F 7a_100012017239_100015514636 [0,2,0,0,0,0|0,0,0]=2 6366 B12R1.385 C=CCOc1ccc(c(c1)N)N 34a_100025771000_100015514636 [0,2,0,0,0,0|0,0,0]=2 6367 B12R1.385 C=CCOc1ccc(c(n1)C)Br 34a_100000691680_100015514636 [0,2,0,0,0,0|1,0,0]=3 6368 B12R1.385 C=CCOc1ccc(c(n1)C)Cl 34a_200009863735_100015514636 [0,2,0,0,0,0|1,0,0]=3 6369 B12R1.385 C=CCOc1ccc(c(n1)F)Br 34a_100009879308_100015514636 [0,2,0,0,0,0|1,0,0]=3 6370 B12R1.385 C=CCOc1cnc(c(c1)Br)C 34a_100009819603_100015514636 [0,2,0,0,0,0|1,0,0]=3 6371 B12R1.385 C=CCOc1cnc(c(c1)Br)C 7a_100009819603_100015514636 [0,2,0,0,0,0|1,0,0]=3 6372 B12R1.385 C=CCOc1cnc(c(c1)Br)Cl 34a_100012356455_100015514636 [0,2,0,0,0,0|1,0,0]=3 6373 B12R1.385 C=CCOc1cnc(c(c1)Br)Cl 7a_100012356455_100015514636 [0,2,0,0,0,0|1,0,0]=3 6374 B12R1.385 C=CCOc1cnc(c(c1)Br)F 34a_100009817267_100015514636 [0,2,0,0,0,0|1,0,0]=3 6375 B12R1.385 C=CCOc1cnc(c(c1)Br)F 7a_100009817267_100015514636 [0,2,0,0,0,0|1,0,0]=3 6376 B12R1.385 C=CCOc1cnc(c(c1)C)Br 34a_100012000486_100015514636 [0,2,0,0,0,0|1,0,0]=3 6377 B12R1.385 C=CCOc1cnc(c(c1)C)Br 7a_100012000486_100015514636 [0,2,0,0,0,0|1,0,0]=3 6378 B12R1.385 C=CCOc1cnc(c(c1)C)C 34a_100009854398_100015514636 [0,2,0,0,0,0|1,0,0]=3 6379 B12R1.385 C=CCOc1cnc(c(c1)C)C 7a_100009854398_100015514636 [0,2,0,0,0,0|1,0,0]=3 6380 B12R1.385 C=CCOc1cnc(c(c1)C)Cl 34a_100012002680_100015514636 [0,2,0,0,0,0|1,0,0]=3 6381 B12R1.385 C=CCOc1cnc(c(c1)C)Cl 7a_100012002680_100015514636 [0,2,0,0,0,0|1,0,0]=3 6382 B12R1.385 C=CCOc1cnc(c(c1)C)F 34a_100000094615_100015514636 [0,2,0,0,0,0|1,0,0]=3 6383 B12R1.385 C=CCOc1cnc(c(c1)C)F 7a_100000094615_100015514636 [0,2,0,0,0,0|1,0,0]=3 6384 B12R1.385 C=CCOc1cnc(c(c1)Cl)Br 34a_100010209684_100015514636 [0,2,0,0,0,0|1,0,0]=3 6385 B12R1.385 C=CCOc1cnc(c(c1)Cl)Br 7a_100010209684_100015514636 [0,2,0,0,0,0|1,0,0]=3 6386 B12R1.385 C=CCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100015514636 [0,2,0,0,0,0|1,0,0]=3 6387 B12R1.385 C=CCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100015514636 [0,2,0,0,0,0|1,0,0]=3 6388 B12R1.385 C=CCOc1cnc(c(c1)Cl)F 34a_100000087088_100015514636 [0,2,0,0,0,0|1,0,0]=3 6389 B12R1.385 C=CCOc1cnc(c(c1)Cl)F 7a_100000087088_100015514636 [0,2,0,0,0,0|1,0,0]=3 6390 B12R1.385 C=CCOc1cnc(c(c1)F)Cl 34a_100000063512_100015514636 [0,2,0,0,0,0|1,0,0]=3 6391 B12R1.385 C=CCOc1cnc(c(c1)F)Cl 7a_100000063512_100015514636 [0,2,0,0,0,0|1,0,0]=3 6392 B12R1.385 C=CCOc1cnc(c(n1)C)C 34a_200000700380_100015514636 [0,2,0,0,0,0|2,0,0]=4 6393 B12R1.385 C=CCOc1cnc(c(n1)Cl)Br 34a_100010080449_100015514636 [0,2,0,0,0,0|2,0,0]=4 6394 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)Br 62a_100000210623_100010125443 [0,2,0,0,0,0|1,1,0]=4 6395 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000210623 [0,2,0,0,0,0|1,1,0]=4 6396 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)F 62a_100000210623_100000723523 [0,2,0,0,0,0|1,1,0]=4 6397 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000210623 [0,2,0,0,0,0|1,1,0]=4 6398 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)O 62a_100000210623_100009814561 [0,2,0,0,0,0|1,1,0]=4 6399 B12R1.385 C=CCSc1cc(c(cn1)Br)C 62a_100000210623_100012356354 [0,2,0,0,0,0|1,1,0]=4 6400 B12R1.385 C=CCSc1cc(c(cn1)Br)C 62a_100012356354_100000210623 [0,2,0,0,0,0|1,1,0]=4 6401 B12R1.385 C=CCSc1cc(c(cn1)C)C 62a_100000210623_100009850809 [0,2,0,0,0,0|1,1,0]=4 6402 B12R1.385 C=CCSc1cc(c(cn1)C)C 62a_100009850809_100000210623 [0,2,0,0,0,0|1,1,0]=4 6403 B12R1.385 C=CCSc1cc(c(cn1)C)F 62a_100000210623_100009841206 [0,2,0,0,0,0|1,1,0]=4 6404 B12R1.385 C=CCSc1cc(c(cn1)C)F 62a_100009841206_100000210623 [0,2,0,0,0,0|1,1,0]=4 6405 B12R1.385 C=CCSc1cc(c(cn1)C)N 62a_100000126663_100000210623 [0,2,0,0,0,0|1,1,0]=4 6406 B12R1.385 C=CCSc1cc(c(cn1)C)N 62a_100000210623_100000126663 [0,2,0,0,0,0|1,1,0]=4 6407 B12R1.385 C=CCSc1cc(c(cn1)C)O 62a_100000210623_100000704368 [0,2,0,0,0,0|1,1,0]=4 6408 B12R1.385 C=CCSc1cc(c(cn1)C)O 62a_100000704368_100000210623 [0,2,0,0,0,0|1,1,0]=4 6409 B12R1.385 C=CCSc1cc(c(cn1)F)C 62a_100000210623_100009818257 [0,2,0,0,0,0|1,1,0]=4 6410 B12R1.385 C=CCSc1cc(c(cn1)F)C 62a_100009818257_100000210623 [0,2,0,0,0,0|1,1,0]=4 6411 B12R1.385 C=CCSc1cc(c(cn1)F)N 62a_100000126464_100000210623 [0,2,0,0,0,0|1,1,0]=4 6412 B12R1.385 C=CCSc1cc(c(cn1)F)N 62a_100000210623_100000126464 [0,2,0,0,0,0|1,1,0]=4 6413 B12R1.385 C=CCSc1cc(c(cn1)F)O 62a_100000210623_100009854642 [0,2,0,0,0,0|1,1,0]=4 6414 B12R1.385 C=CCSc1cc(c(cn1)F)O 62a_100009854642_100000210623 [0,2,0,0,0,0|1,1,0]=4 6415 B12R1.385 C=CCSc1cc(c(cn1)N)C 62a_100000067204_100000210623 [0,2,0,0,0,0|1,1,0]=4 6416 B12R1.385 C=CCSc1cc(c(cn1)N)C 62a_100000210623_100000067204 [0,2,0,0,0,0|1,1,0]=4 6417 B12R1.385 C=CCSc1cc(c(cn1)N)N 62a_100000067514_100000210623 [0,2,0,0,0,0|1,1,0]=4 6418 B12R1.385 C=CCSc1cc(c(cn1)N)N 62a_100000210623_100000067514 [0,2,0,0,0,0|1,1,0]=4 6419 B12R1.385 C=CCSc1cc(c(cn1)O)C 62a_100000210623_100000692680 [0,2,0,0,0,0|1,1,0]=4 6420 B12R1.385 C=CCSc1cc(c(cn1)O)N 62a_100000210623_100009819941 [0,2,0,0,0,0|1,1,0]=4 6421 B12R1.385 C=CCSc1cc(c(cn1)O)N 62a_100009819941_100000210623 [0,2,0,0,0,0|1,1,0]=4 6422 B12R1.385 C=CCSc1ccc(=O)n(c1)C 62a_100000210623_100011245003 [0,2,0,0,0,0|1,1,0]=4 6423 B12R1.385 C=CCSc1ccc(=O)n(c1)C 62a_100011245003_100000210623 [0,2,0,0,0,0|1,1,0]=4 6424 B12R1.385 C=CCSc1ccc([n+](c1)[O-])C 62a_100000210623_100000703231 [0,2,0,0,0,0|1,1,0]=4 6425 B12R1.385 C=CCSc1ccc(c(c1)Br)Br 62a_100000210623_100012356285 [0,2,0,0,0,0|0,1,0]=3 6426 B12R1.385 C=CCSc1ccc(c(c1)Br)Br 62a_100012356285_100000210623 [0,2,0,0,0,0|0,1,0]=3 6427 B12R1.385 C=CCSc1ccc(c(c1)Br)C 62a_100000210623_100011847877 [0,2,0,0,0,0|0,1,0]=3 6428 B12R1.385 C=CCSc1ccc(c(c1)Br)C 62a_100011847877_100000210623 [0,2,0,0,0,0|0,1,0]=3 6429 B12R1.385 C=CCSc1ccc(c(c1)Br)Cl 62a_100000210623_100012353702 [0,2,0,0,0,0|0,1,0]=3 6430 B12R1.385 C=CCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000210623 [0,2,0,0,0,0|0,1,0]=3 6431 B12R1.385 C=CCSc1ccc(c(c1)Br)F 62a_100000210623_100012047266 [0,2,0,0,0,0|0,1,0]=3 6432 B12R1.385 C=CCSc1ccc(c(c1)Br)F 62a_100012047266_100000210623 [0,2,0,0,0,0|0,1,0]=3 6433 B12R1.385 C=CCSc1ccc(c(c1)Br)N 62a_100000210623_100000750455 [0,2,0,0,0,0|0,1,0]=3 6434 B12R1.385 C=CCSc1ccc(c(c1)Br)N 62a_100000750455_100000210623 [0,2,0,0,0,0|0,1,0]=3 6435 B12R1.385 C=CCSc1ccc(c(c1)Br)O 62a_100000210623_100012361655 [0,2,0,0,0,0|0,1,0]=3 6436 B12R1.385 C=CCSc1ccc(c(c1)Br)O 62a_100012361655_100000210623 [0,2,0,0,0,0|0,1,0]=3 6437 B12R1.385 C=CCSc1ccc(c(c1)C)Br 62a_100000210623_100009813585 [0,2,0,0,0,0|0,1,0]=3 6438 B12R1.385 C=CCSc1ccc(c(c1)C)Br 62a_100009813585_100000210623 [0,2,0,0,0,0|0,1,0]=3 6439 B12R1.385 C=CCSc1ccc(c(c1)C)C 62a_100000210623_100011215607 [0,2,0,0,0,0|0,1,0]=3 6440 B12R1.385 C=CCSc1ccc(c(c1)C)C 62a_100011215607_100000210623 [0,2,0,0,0,0|0,1,0]=3 6441 B12R1.385 C=CCSc1ccc(c(c1)C)Cl 62a_100000049509_100000210623 [0,2,0,0,0,0|0,1,0]=3 6442 B12R1.385 C=CCSc1ccc(c(c1)C)Cl 62a_100000210623_100000049509 [0,2,0,0,0,0|0,1,0]=3 6443 B12R1.385 C=CCSc1ccc(c(c1)C)F 62a_100000210623_100011218330 [0,2,0,0,0,0|0,1,0]=3 6444 B12R1.385 C=CCSc1ccc(c(c1)C)F 62a_100011218330_100000210623 [0,2,0,0,0,0|0,1,0]=3 6445 B12R1.385 C=CCSc1ccc(c(c1)C)N 62a_100000210623_100000211769 [0,2,0,0,0,0|0,1,0]=3 6446 B12R1.385 C=CCSc1ccc(c(c1)C)N 62a_100000211769_100000210623 [0,2,0,0,0,0|0,1,0]=3 6447 B12R1.385 C=CCSc1ccc(c(c1)C)O 62a_100000210623_100000186361 [0,2,0,0,0,0|0,1,0]=3 6448 B12R1.385 C=CCSc1ccc(c(c1)Cl)Br 62a_100000210623_100012047281 [0,2,0,0,0,0|0,1,0]=3 6449 B12R1.385 C=CCSc1ccc(c(c1)Cl)Br 62a_100012047281_100000210623 [0,2,0,0,0,0|0,1,0]=3 6450 B12R1.385 C=CCSc1ccc(c(c1)Cl)C 62a_100000210623_100011216363 [0,2,0,0,0,0|0,1,0]=3 6451 B12R1.385 C=CCSc1ccc(c(c1)Cl)C 62a_100011216363_100000210623 [0,2,0,0,0,0|0,1,0]=3 6452 B12R1.385 C=CCSc1ccc(c(c1)Cl)Cl 62a_100000210623_100011214914 [0,2,0,0,0,0|0,1,0]=3 6453 B12R1.385 C=CCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000210623 [0,2,0,0,0,0|0,1,0]=3 6454 B12R1.385 C=CCSc1ccc(c(c1)Cl)F 62a_100000210623_100011215976 [0,2,0,0,0,0|0,1,0]=3 6455 B12R1.385 C=CCSc1ccc(c(c1)Cl)F 62a_100011215976_100000210623 [0,2,0,0,0,0|0,1,0]=3 6456 B12R1.385 C=CCSc1ccc(c(c1)Cl)N 62a_100000210623_100011218065 [0,2,0,0,0,0|0,1,0]=3 6457 B12R1.385 C=CCSc1ccc(c(c1)Cl)N 62a_100011218065_100000210623 [0,2,0,0,0,0|0,1,0]=3 6458 B12R1.385 C=CCSc1ccc(c(c1)Cl)O 62a_100000210623_100012360047 [0,2,0,0,0,0|0,1,0]=3 6459 B12R1.385 C=CCSc1ccc(c(c1)Cl)O 62a_100012360047_100000210623 [0,2,0,0,0,0|0,1,0]=3 6460 B12R1.385 C=CCSc1ccc(c(c1)F)Br 62a_100000210623_100000685389 [0,2,0,0,0,0|0,1,0]=3 6461 B12R1.385 C=CCSc1ccc(c(c1)F)Br 62a_100000685389_100000210623 [0,2,0,0,0,0|0,1,0]=3 6462 B12R1.385 C=CCSc1ccc(c(c1)F)C 62a_100000210623_100000720648 [0,2,0,0,0,0|0,1,0]=3 6463 B12R1.385 C=CCSc1ccc(c(c1)F)C 62a_100000720648_100000210623 [0,2,0,0,0,0|0,1,0]=3 6464 B12R1.385 C=CCSc1ccc(c(c1)F)Cl 62a_100000210623_100011216805 [0,2,0,0,0,0|0,1,0]=3 6465 B12R1.385 C=CCSc1ccc(c(c1)F)Cl 62a_100011216805_100000210623 [0,2,0,0,0,0|0,1,0]=3 6466 B12R1.385 C=CCSc1ccc(c(c1)F)F 62a_100000210623_100000703953 [0,2,0,0,0,0|0,1,0]=3 6467 B12R1.385 C=CCSc1ccc(c(c1)F)F 62a_100000703953_100000210623 [0,2,0,0,0,0|0,1,0]=3 6468 B12R1.385 C=CCSc1ccc(c(c1)F)N 62a_100000210623_100011215594 [0,2,0,0,0,0|0,1,0]=3 6469 B12R1.385 C=CCSc1ccc(c(c1)F)N 62a_100011215594_100000210623 [0,2,0,0,0,0|0,1,0]=3 6470 B12R1.385 C=CCSc1ccc(c(c1)F)O 62a_100000185481_100000210623 [0,2,0,0,0,0|0,1,0]=3 6471 B12R1.385 C=CCSc1ccc(c(c1)F)O 62a_100000210623_100000185481 [0,2,0,0,0,0|0,1,0]=3 6472 B12R1.385 C=CCSc1ccc(c(c1)N)Br 62a_100000210623_100000750456 [0,2,0,0,0,0|0,1,0]=3 6473 B12R1.385 C=CCSc1ccc(c(c1)N)Br 62a_100000750456_100000210623 [0,2,0,0,0,0|0,1,0]=3 6474 B12R1.385 C=CCSc1ccc(c(c1)N)C 62a_100000210623_100000761890 [0,2,0,0,0,0|0,1,0]=3 6475 B12R1.385 C=CCSc1ccc(c(c1)N)C 62a_100000761890_100000210623 [0,2,0,0,0,0|0,1,0]=3 6476 B12R1.385 C=CCSc1ccc(c(c1)N)Cl 62a_100000210623_200000761891 [0,2,0,0,0,0|0,1,0]=3 6477 B12R1.385 C=CCSc1ccc(c(c1)N)Cl 62a_200000761891_100000210623 [0,2,0,0,0,0|0,1,0]=3 6478 B12R1.385 C=CCSc1ccc(c(c1)N)F 62a_100000210623_100000740924 [0,2,0,0,0,0|0,1,0]=3 6479 B12R1.385 C=CCSc1ccc(c(c1)N)F 62a_100000740924_100000210623 [0,2,0,0,0,0|0,1,0]=3 6480 B12R1.385 C=CCSc1ccc(c(c1)N)N 62a_100000210623_100011534411 [0,2,0,0,0,0|0,1,0]=3 6481 B12R1.385 C=CCSc1ccc(c(c1)N)N 62a_100000741789_100000210623 [0,2,0,0,0,0|0,1,0]=3 6482 B12R1.385 C=CCSc1ccc(c(c1)N)O 62a_100000210623_100000752626 [0,2,0,0,0,0|0,1,0]=3 6483 B12R1.385 C=CCSc1ccc(c(c1)N)O 62a_100000752626_100000210623 [0,2,0,0,0,0|0,1,0]=3 6484 B12R1.385 C=CCSc1ccc(c(c1)O)Br 62a_100000210623_100012356990 [0,2,0,0,0,0|0,1,0]=3 6485 B12R1.385 C=CCSc1ccc(c(c1)O)Br 62a_100012356990_100000210623 [0,2,0,0,0,0|0,1,0]=3 6486 B12R1.385 C=CCSc1ccc(c(c1)O)C 62a_100000210623_100000685420 [0,2,0,0,0,0|0,1,0]=3 6487 B12R1.385 C=CCSc1ccc(c(c1)O)C 62a_100000685420_100000210623 [0,2,0,0,0,0|0,1,0]=3 6488 B12R1.385 C=CCSc1ccc(c(c1)O)Cl 62a_100000210623_100011356854 [0,2,0,0,0,0|0,1,0]=3 6489 B12R1.385 C=CCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210623 [0,2,0,0,0,0|0,1,0]=3 6490 B12R1.385 C=CCSc1ccc(c(c1)O)F 62a_100000210623_100000686035 [0,2,0,0,0,0|0,1,0]=3 6491 B12R1.385 C=CCSc1ccc(c(c1)O)F 62a_100000686035_100000210623 [0,2,0,0,0,0|0,1,0]=3 6492 B12R1.385 C=CCSc1ccc(c(c1)O)N 62a_100000210623_100000739049 [0,2,0,0,0,0|0,1,0]=3 6493 B12R1.385 C=CCSc1ccc(c(c1)O)N 62a_100000739049_100000210623 [0,2,0,0,0,0|0,1,0]=3 6494 B12R1.385 C=CCSc1ccc(c(c1)O)O 62a_100000210623_100009813601 [0,2,0,0,0,0|0,1,0]=3 6495 B12R1.385 C=CCSc1ccc(c(n1)Br)O 62a_100000210623_100000725334 [0,2,0,0,0,0|1,1,0]=4 6496 B12R1.385 C=CCSc1ccc(c(n1)Br)O 62a_100000725334_100000210623 [0,2,0,0,0,0|1,1,0]=4 6497 B12R1.385 C=CCSc1ccc(c(n1)C)Br 62a_100000210623_100012360386 [0,2,0,0,0,0|1,1,0]=4 6498 B12R1.385 C=CCSc1ccc(c(n1)C)Br 62a_100012360386_100000210623 [0,2,0,0,0,0|1,1,0]=4 6499 B12R1.385 C=CCSc1ccc(c(n1)C)C 62a_100000103781_100000210623 [0,2,0,0,0,0|1,1,0]=4 6500 B12R1.385 C=CCSc1ccc(c(n1)C)C 62a_100000210623_100000103781 [0,2,0,0,0,0|1,1,0]=4 6501 B12R1.385 C=CCSc1ccc(c(n1)C)F 62a_100000210623_100009814307 [0,2,0,0,0,0|1,1,0]=4 6502 B12R1.385 C=CCSc1ccc(c(n1)C)F 62a_100009814307_100000210623 [0,2,0,0,0,0|1,1,0]=4 6503 B12R1.385 C=CCSc1ccc(c(n1)C)N 62a_100000210623_100000720120 [0,2,0,0,0,0|1,1,0]=4 6504 B12R1.385 C=CCSc1ccc(c(n1)C)N 62a_100000720120_100000210623 [0,2,0,0,0,0|1,1,0]=4 6505 B12R1.385 C=CCSc1ccc(c(n1)C)O 62a_100000210623_100010233687 [0,2,0,0,0,0|1,1,0]=4 6506 B12R1.385 C=CCSc1ccc(c(n1)C)O 62a_100010233687_100000210623 [0,2,0,0,0,0|1,1,0]=4 6507 B12R1.385 C=CCSc1ccc(c(n1)Cl)N 62a_100000210623_200010233646 [0,2,0,0,0,0|1,1,0]=4 6508 B12R1.385 C=CCSc1ccc(c(n1)Cl)N 62a_200010233646_100000210623 [0,2,0,0,0,0|1,1,0]=4 6509 B12R1.385 C=CCSc1ccc(c(n1)Cl)O 62a_100000210623_100000721234 [0,2,0,0,0,0|1,1,0]=4 6510 B12R1.385 C=CCSc1ccc(c(n1)F)Br 62a_100000210623_100010134343 [0,2,0,0,0,0|1,1,0]=4 6511 B12R1.385 C=CCSc1ccc(c(n1)F)Br 62a_100010134343_100000210623 [0,2,0,0,0,0|1,1,0]=4 6512 B12R1.385 C=CCSc1ccc(c(n1)F)N 62a_100000210623_100009856439 [0,2,0,0,0,0|1,1,0]=4 6513 B12R1.385 C=CCSc1ccc(c(n1)F)N 62a_100009856439_100000210623 [0,2,0,0,0,0|1,1,0]=4 6514 B12R1.385 C=CCSc1ccc(c(n1)F)O 62a_100000210623_100009819667 [0,2,0,0,0,0|1,1,0]=4 6515 B12R1.385 C=CCSc1ccc(c(n1)F)O 62a_100009819667_100000210623 [0,2,0,0,0,0|1,1,0]=4 6516 B12R1.385 C=CCSc1ccc(c(n1)N)C 62a_100000210623_100009857032 [0,2,0,0,0,0|1,1,0]=4 6517 B12R1.385 C=CCSc1ccc(c(n1)N)C 62a_100009857032_100000210623 [0,2,0,0,0,0|1,1,0]=4 6518 B12R1.385 C=CCSc1ccc(c(n1)N)F 62a_100000210623_100016091773 [0,2,0,0,0,0|1,1,0]=4 6519 B12R1.385 C=CCSc1ccc(c(n1)N)F 62a_100016091773_100000210623 [0,2,0,0,0,0|1,1,0]=4 6520 B12R1.385 C=CCSc1ccc(c(n1)N)N 62a_100000747239_100000210623 [0,2,0,0,0,0|1,1,0]=4 6521 B12R1.385 C=CCSc1ccc(c(n1)N)O 62a_100000210623_100000685527 [0,2,0,0,0,0|1,1,0]=4 6522 B12R1.385 C=CCSc1ccc(c(n1)N)O 62a_100000685527_100000210623 [0,2,0,0,0,0|1,1,0]=4 6523 B12R1.385 C=CCSc1ccc(c(n1)O)F 62a_100000210623_100010729010 [0,2,0,0,0,0|1,1,0]=4 6524 B12R1.385 C=CCSc1ccc(c(n1)O)N 62a_100000718904_100000210623 [0,2,0,0,0,0|1,1,0]=4 6525 B12R1.385 C=CCSc1ccn(c(=O)c1)C 62a_100000210623_100009820031 [0,2,0,0,0,0|1,1,0]=4 6526 B12R1.385 C=CCSc1ccn(c(=O)c1)C 62a_100009820031_100000210623 [0,2,0,0,0,0|1,1,0]=4 6527 B12R1.385 C=CCSc1cnc(c(c1)Br)Cl 62a_100000210623_100010172733 [0,2,0,0,0,0|1,1,0]=4 6528 B12R1.385 C=CCSc1cnc(c(c1)Br)Cl 62a_100010172733_100000210623 [0,2,0,0,0,0|1,1,0]=4 6529 B12R1.385 C=CCSc1cnc(c(c1)Br)N 62a_100000210623_100012353989 [0,2,0,0,0,0|1,1,0]=4 6530 B12R1.385 C=CCSc1cnc(c(c1)Br)N 62a_100012353989_100000210623 [0,2,0,0,0,0|1,1,0]=4 6531 B12R1.385 C=CCSc1cnc(c(c1)C)Br 62a_100000210623_100009816107 [0,2,0,0,0,0|1,1,0]=4 6532 B12R1.385 C=CCSc1cnc(c(c1)C)Br 62a_100009816107_100000210623 [0,2,0,0,0,0|1,1,0]=4 6533 B12R1.385 C=CCSc1cnc(c(c1)C)C 62a_100000210623_100000697892 [0,2,0,0,0,0|1,1,0]=4 6534 B12R1.385 C=CCSc1cnc(c(c1)C)C 62a_100000697892_100000210623 [0,2,0,0,0,0|1,1,0]=4 6535 B12R1.385 C=CCSc1cnc(c(c1)C)Cl 62a_100000210623_100009922867 [0,2,0,0,0,0|1,1,0]=4 6536 B12R1.385 C=CCSc1cnc(c(c1)C)Cl 62a_100009922867_100000210623 [0,2,0,0,0,0|1,1,0]=4 6537 B12R1.385 C=CCSc1cnc(c(c1)C)F 62a_100000210623_100000709442 [0,2,0,0,0,0|1,1,0]=4 6538 B12R1.385 C=CCSc1cnc(c(c1)C)F 62a_100000709442_100000210623 [0,2,0,0,0,0|1,1,0]=4 6539 B12R1.385 C=CCSc1cnc(c(c1)C)N 62a_100000210623_100000684428 [0,2,0,0,0,0|1,1,0]=4 6540 B12R1.385 C=CCSc1cnc(c(c1)C)N 62a_100000684428_100000210623 [0,2,0,0,0,0|1,1,0]=4 6541 B12R1.385 C=CCSc1cnc(c(c1)C)O 62a_100000210623_100000685391 [0,2,0,0,0,0|1,1,0]=4 6542 B12R1.385 C=CCSc1cnc(c(c1)C)O 62a_100000685391_100000210623 [0,2,0,0,0,0|1,1,0]=4 6543 B12R1.385 C=CCSc1cnc(c(c1)Cl)N 62a_100000210623_100012356299 [0,2,0,0,0,0|1,1,0]=4 6544 B12R1.385 C=CCSc1cnc(c(c1)Cl)N 62a_100012356299_100000210623 [0,2,0,0,0,0|1,1,0]=4 6545 B12R1.385 C=CCSc1cnc(c(c1)Cl)O 62a_100000210623_100010238531 [0,2,0,0,0,0|1,1,0]=4 6546 B12R1.385 C=CCSc1cnc(c(c1)Cl)O 62a_100010238531_100000210623 [0,2,0,0,0,0|1,1,0]=4 6547 B12R1.385 C=CCSc1cnc(c(c1)F)C 62a_100000210623_100009845756 [0,2,0,0,0,0|1,1,0]=4 6548 B12R1.385 C=CCSc1cnc(c(c1)F)C 62a_100009845756_100000210623 [0,2,0,0,0,0|1,1,0]=4 6549 B12R1.385 C=CCSc1cnc(c(c1)F)F 62a_100000210623_100009817721 [0,2,0,0,0,0|1,1,0]=4 6550 B12R1.385 C=CCSc1cnc(c(c1)F)F 62a_100009817721_100000210623 [0,2,0,0,0,0|1,1,0]=4 6551 B12R1.385 C=CCSc1cnc(c(c1)F)N 62a_100000210623_100000693161 [0,2,0,0,0,0|1,1,0]=4 6552 B12R1.385 C=CCSc1cnc(c(c1)F)N 62a_100000693161_100000210623 [0,2,0,0,0,0|1,1,0]=4 6553 B12R1.385 C=CCSc1cnc(c(c1)N)C 62a_100000210623_100011999542 [0,2,0,0,0,0|1,1,0]=4 6554 B12R1.385 C=CCSc1cnc(c(c1)N)C 62a_100011999542_100000210623 [0,2,0,0,0,0|1,1,0]=4 6555 B12R1.385 C=CCSc1cnc(c(c1)N)Cl 62a_100000210623_100009828400 [0,2,0,0,0,0|1,1,0]=4 6556 B12R1.385 C=CCSc1cnc(c(c1)N)Cl 62a_100009828400_100000210623 [0,2,0,0,0,0|1,1,0]=4 6557 B12R1.385 C=CCSc1cnc(c(c1)N)F 62a_100000210623_100009816798 [0,2,0,0,0,0|1,1,0]=4 6558 B12R1.385 C=CCSc1cnc(c(c1)N)F 62a_100009816798_100000210623 [0,2,0,0,0,0|1,1,0]=4 6559 B12R1.385 C=CCSc1cnc(c(c1)N)N 62a_100000184470_100000210623 [0,2,0,0,0,0|1,1,0]=4 6560 B12R1.385 C=CCSc1cnc(c(c1)N)N 62a_100000210623_100000184470 [0,2,0,0,0,0|1,1,0]=4 6561 B12R1.385 C=CCSc1cnc(c(c1)N)O 62a_100000210623_100000743729 [0,2,0,0,0,0|1,1,0]=4 6562 B12R1.385 C=CCSc1cnc(c(c1)N)O 62a_100000743729_100000210623 [0,2,0,0,0,0|1,1,0]=4 6563 B12R1.385 C=CCSc1cnc(c(c1)O)C 62a_100000210623_100009864810 [0,2,0,0,0,0|1,1,0]=4 6564 B12R1.385 C=CCSc1cnc(c(c1)O)C 62a_100009864810_100000210623 [0,2,0,0,0,0|1,1,0]=4 6565 B12R1.385 C=CCSc1cnc(c(c1)O)F 62a_100000210623_100009819871 [0,2,0,0,0,0|1,1,0]=4 6566 B12R1.385 C=CCSc1cnc(c(c1)O)F 62a_100009819871_100000210623 [0,2,0,0,0,0|1,1,0]=4 6567 B12R1.385 C=CCSc1cnc(c(c1)O)N 62a_100000210623_100009819042 [0,2,0,0,0,0|1,1,0]=4 6568 B12R1.385 C=CCSc1cnc(c(c1)O)N 62a_100009819042_100000210623 [0,2,0,0,0,0|1,1,0]=4 6569 B12R1.385 CCCOc1ccc(c(c1)Br)C 34a_100011380479_100000210303 [0,2,0,0,0,0|0,0,2]=4 6570 B12R1.385 CCCOc1ccc(c(c1)Br)C 7a_100011380479_100000210303 [0,2,0,0,0,0|0,0,2]=4 6571 B12R1.385 CCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000210303 [0,2,0,0,0,0|0,0,2]=4 6572 B12R1.385 CCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000210303 [0,2,0,0,0,0|0,0,2]=4 6573 B12R1.385 CCCOc1ccc(c(c1)Br)F 34a_100000693481_100000210303 [0,2,0,0,0,0|0,0,2]=4 6574 B12R1.385 CCCOc1ccc(c(c1)Br)F 7a_100000693481_100000210303 [0,2,0,0,0,0|0,0,2]=4 6575 B12R1.385 CCCOc1ccc(c(c1)Br)I 34a_100000701344_100000210303 [0,2,0,0,0,0|0,0,2]=4 6576 B12R1.385 CCCOc1ccc(c(c1)Br)I 7a_100000701344_100000210303 [0,2,0,0,0,0|0,0,2]=4 6577 B12R1.385 CCCOc1ccc(c(c1)Br)N 34a_100012001276_100000210303 [0,2,0,0,0,0|0,0,2]=4 6578 B12R1.385 CCCOc1ccc(c(c1)Br)N 7a_100012001276_100000210303 [0,2,0,0,0,0|0,0,2]=4 6579 B12R1.385 CCCOc1ccc(c(c1)C)Br 34a_100000690111_100000210303 [0,2,0,0,0,0|0,0,2]=4 6580 B12R1.385 CCCOc1ccc(c(c1)C)Br 7a_100000690111_100000210303 [0,2,0,0,0,0|0,0,2]=4 6581 B12R1.385 CCCOc1ccc(c(c1)C)C 34a_100000210932_100000210303 [0,2,0,0,0,0|0,0,2]=4 6582 B12R1.385 CCCOc1ccc(c(c1)C)C 7a_100000210932_100000210303 [0,2,0,0,0,0|0,0,2]=4 6583 B12R1.385 CCCOc1ccc(c(c1)C)Cl 34a_100000211092_100000210303 [0,2,0,0,0,0|0,0,2]=4 6584 B12R1.385 CCCOc1ccc(c(c1)C)Cl 7a_100000211092_100000210303 [0,2,0,0,0,0|0,0,2]=4 6585 B12R1.385 CCCOc1ccc(c(c1)C)F 34a_100000751312_100000210303 [0,2,0,0,0,0|0,0,2]=4 6586 B12R1.385 CCCOc1ccc(c(c1)C)F 7a_100000751312_100000210303 [0,2,0,0,0,0|0,0,2]=4 6587 B12R1.385 CCCOc1ccc(c(c1)C)I 34a_100000729255_100000210303 [0,2,0,0,0,0|0,0,2]=4 6588 B12R1.385 CCCOc1ccc(c(c1)C)I 7a_100000729255_100000210303 [0,2,0,0,0,0|0,0,2]=4 6589 B12R1.385 CCCOc1ccc(c(c1)C)N 34a_100000756630_100000210303 [0,2,0,0,0,0|0,0,2]=4 6590 B12R1.385 CCCOc1ccc(c(c1)C)N 7a_100000756630_100000210303 [0,2,0,0,0,0|0,0,2]=4 6591 B12R1.385 CCCOc1ccc(c(c1)C)O 271570a_203496583355_200012361509 [0,2,0,0,0,0|0,0,2]=4 6592 B12R1.385 CCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000210303 [0,2,0,0,0,0|0,0,2]=4 6593 B12R1.385 CCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000210303 [0,2,0,0,0,0|0,0,2]=4 6594 B12R1.385 CCCOc1ccc(c(c1)Cl)C 34a_100011265682_100000210303 [0,2,0,0,0,0|0,0,2]=4 6595 B12R1.385 CCCOc1ccc(c(c1)Cl)C 7a_100011265682_100000210303 [0,2,0,0,0,0|0,0,2]=4 6596 B12R1.385 CCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000210303 [0,2,0,0,0,0|0,0,2]=4 6597 B12R1.385 CCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000210303 [0,2,0,0,0,0|0,0,2]=4 6598 B12R1.385 CCCOc1ccc(c(c1)Cl)F 34a_100000211030_100000210303 [0,2,0,0,0,0|0,0,2]=4 6599 B12R1.385 CCCOc1ccc(c(c1)Cl)F 7a_100000211030_100000210303 [0,2,0,0,0,0|0,0,2]=4 6600 B12R1.385 CCCOc1ccc(c(c1)Cl)I 34a_100000047559_100000210303 [0,2,0,0,0,0|0,0,2]=4 6601 B12R1.385 CCCOc1ccc(c(c1)Cl)I 7a_100000047559_100000210303 [0,2,0,0,0,0|0,0,2]=4 6602 B12R1.385 CCCOc1ccc(c(c1)Cl)N 34a_100011215599_100000210303 [0,2,0,0,0,0|0,0,2]=4 6603 B12R1.385 CCCOc1ccc(c(c1)Cl)N 7a_100011215599_100000210303 [0,2,0,0,0,0|0,0,2]=4 6604 B12R1.385 CCCOc1ccc(c(c1)F)Br 34a_100000755031_100000210303 [0,2,0,0,0,0|0,0,2]=4 6605 B12R1.385 CCCOc1ccc(c(c1)F)Br 7a_100000755031_100000210303 [0,2,0,0,0,0|0,0,2]=4 6606 B12R1.385 CCCOc1ccc(c(c1)F)C 34a_100000722560_100000210303 [0,2,0,0,0,0|0,0,2]=4 6607 B12R1.385 CCCOc1ccc(c(c1)F)C 7a_100000722560_100000210303 [0,2,0,0,0,0|0,0,2]=4 6608 B12R1.385 CCCOc1ccc(c(c1)F)Cl 34a_100000691581_100000210303 [0,2,0,0,0,0|0,0,2]=4 6609 B12R1.385 CCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000210303 [0,2,0,0,0,0|0,0,2]=4 6610 B12R1.385 CCCOc1ccc(c(c1)F)F 34a_100000181275_100000210303 [0,2,0,0,0,0|0,0,2]=4 6611 B12R1.385 CCCOc1ccc(c(c1)F)F 7a_100000181275_100000210303 [0,2,0,0,0,0|0,0,2]=4 6612 B12R1.385 CCCOc1ccc(c(c1)F)I 34a_100009990212_100000210303 [0,2,0,0,0,0|0,0,2]=4 6613 B12R1.385 CCCOc1ccc(c(c1)F)I 7a_100009990212_100000210303 [0,2,0,0,0,0|0,0,2]=4 6614 B12R1.385 CCCOc1ccc(c(c1)F)N 34a_100000759473_100000210303 [0,2,0,0,0,0|0,0,2]=4 6615 B12R1.385 CCCOc1ccc(c(c1)F)N 7a_100000759473_100000210303 [0,2,0,0,0,0|0,0,2]=4 6616 B12R1.385 CCCOc1ccc(c(c1)F)O 271570a_203496583355_200012236930 [0,2,0,0,0,0|0,0,2]=4 6617 B12R1.385 CCCOc1ccc(c(c1)I)Br 34a_100012339312_100000210303 [0,2,0,0,0,0|0,0,2]=4 6618 B12R1.385 CCCOc1ccc(c(c1)I)Br 7a_100012339312_100000210303 [0,2,0,0,0,0|0,0,2]=4 6619 B12R1.385 CCCOc1ccc(c(c1)I)Cl 34a_100000049588_100000210303 [0,2,0,0,0,0|0,0,2]=4 6620 B12R1.385 CCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000210303 [0,2,0,0,0,0|0,0,2]=4 6621 B12R1.385 CCCOc1ccc(c(c1)I)N 34a_100010084370_100000210303 [0,2,0,0,0,0|0,0,2]=4 6622 B12R1.385 CCCOc1ccc(c(c1)I)N 7a_100010084370_100000210303 [0,2,0,0,0,0|0,0,2]=4 6623 B12R1.385 CCCOc1ccc(c(c1)N)Br 34a_100011999798_100000210303 [0,2,0,0,0,0|0,0,2]=4 6624 B12R1.385 CCCOc1ccc(c(c1)N)Br 7a_100011999798_100000210303 [0,2,0,0,0,0|0,0,2]=4 6625 B12R1.385 CCCOc1ccc(c(c1)N)C 34a_100011216113_100000210303 [0,2,0,0,0,0|0,0,2]=4 6626 B12R1.385 CCCOc1ccc(c(c1)N)C 7a_100011216113_100000210303 [0,2,0,0,0,0|0,0,2]=4 6627 B12R1.385 CCCOc1ccc(c(c1)N)Cl 34a_100011934297_100000210303 [0,2,0,0,0,0|0,0,2]=4 6628 B12R1.385 CCCOc1ccc(c(c1)N)F 34a_100012017239_100000210303 [0,2,0,0,0,0|0,0,2]=4 6629 B12R1.385 CCCOc1ccc(c(c1)N)F 7a_100012017239_100000210303 [0,2,0,0,0,0|0,0,2]=4 6630 B12R1.385 CCCOc1ccc(c(c1)N)N 34a_100025771000_100000210303 [0,2,0,0,0,0|0,0,2]=4 6631 B12R1.385 COCOc1ccc(c(c1)F)O 271570a_203496583355_100012265695 [0,2,0,0,0,0|1,0,1]=4 6632 B12R1.385 COCOc1ccc(c(c1)O)C 271570a_203496583355_200015918306 [0,2,0,0,0,0|1,0,1]=4 6633 B12R1.385 CSCOc1ccc(c(c1)Br)C 34a_100011380479_100011218213 [0,2,0,0,0,0|1,0,1]=4 6634 B12R1.385 CSCOc1ccc(c(c1)Br)Cl 34a_100011933957_100011218213 [0,2,0,0,0,0|1,0,1]=4 6635 B12R1.385 CSCOc1ccc(c(c1)Br)F 34a_100000693481_100011218213 [0,2,0,0,0,0|1,0,1]=4 6636 B12R1.385 CSCOc1ccc(c(c1)Br)I 34a_100000701344_100011218213 [0,2,0,0,0,0|1,0,1]=4 6637 B12R1.385 CSCOc1ccc(c(c1)Br)N 34a_100012001276_100011218213 [0,2,0,0,0,0|1,0,1]=4 6638 B12R1.385 CSCOc1ccc(c(c1)C)Br 34a_100000690111_100011218213 [0,2,0,0,0,0|1,0,1]=4 6639 B12R1.385 CSCOc1ccc(c(c1)C)C 34a_100000210932_100011218213 [0,2,0,0,0,0|1,0,1]=4 6640 B12R1.385 CSCOc1ccc(c(c1)C)Cl 34a_100000211092_100011218213 [0,2,0,0,0,0|1,0,1]=4 6641 B12R1.385 CSCOc1ccc(c(c1)C)F 34a_100000751312_100011218213 [0,2,0,0,0,0|1,0,1]=4 6642 B12R1.385 CSCOc1ccc(c(c1)C)I 34a_100000729255_100011218213 [0,2,0,0,0,0|1,0,1]=4 6643 B12R1.385 CSCOc1ccc(c(c1)C)N 34a_100000756630_100011218213 [0,2,0,0,0,0|1,0,1]=4 6644 B12R1.385 CSCOc1ccc(c(c1)Cl)Br 34a_100011215161_100011218213 [0,2,0,0,0,0|1,0,1]=4 6645 B12R1.385 CSCOc1ccc(c(c1)Cl)C 34a_100011265682_100011218213 [0,2,0,0,0,0|1,0,1]=4 6646 B12R1.385 CSCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100011218213 [0,2,0,0,0,0|1,0,1]=4 6647 B12R1.385 CSCOc1ccc(c(c1)Cl)F 34a_100000211030_100011218213 [0,2,0,0,0,0|1,0,1]=4 6648 B12R1.385 CSCOc1ccc(c(c1)Cl)I 34a_100000047559_100011218213 [0,2,0,0,0,0|1,0,1]=4 6649 B12R1.385 CSCOc1ccc(c(c1)Cl)N 34a_100011215599_100011218213 [0,2,0,0,0,0|1,0,1]=4 6650 B12R1.385 CSCOc1ccc(c(c1)F)Br 34a_100000755031_100011218213 [0,2,0,0,0,0|1,0,1]=4 6651 B12R1.385 CSCOc1ccc(c(c1)F)C 34a_100000722560_100011218213 [0,2,0,0,0,0|1,0,1]=4 6652 B12R1.385 CSCOc1ccc(c(c1)F)Cl 34a_100000691581_100011218213 [0,2,0,0,0,0|1,0,1]=4 6653 B12R1.385 CSCOc1ccc(c(c1)F)F 34a_100000181275_100011218213 [0,2,0,0,0,0|1,0,1]=4 6654 B12R1.385 CSCOc1ccc(c(c1)F)I 34a_100009990212_100011218213 [0,2,0,0,0,0|1,0,1]=4 6655 B12R1.385 CSCOc1ccc(c(c1)F)N 34a_100000759473_100011218213 [0,2,0,0,0,0|1,0,1]=4 6656 B12R1.385 CSCOc1ccc(c(c1)I)Br 34a_100012339312_100011218213 [0,2,0,0,0,0|1,0,1]=4 6657 B12R1.385 CSCOc1ccc(c(c1)I)Cl 34a_100000049588_100011218213 [0,2,0,0,0,0|1,0,1]=4 6658 B12R1.385 CSCOc1ccc(c(c1)I)N 34a_100010084370_100011218213 [0,2,0,0,0,0|1,0,1]=4 6659 B12R1.385 CSCOc1ccc(c(c1)N)Br 34a_100011999798_100011218213 [0,2,0,0,0,0|1,0,1]=4 6660 B12R1.385 CSCOc1ccc(c(c1)N)C 34a_100011216113_100011218213 [0,2,0,0,0,0|1,0,1]=4 6661 B12R1.385 CSCOc1ccc(c(c1)N)Cl 34a_100011934297_100011218213 [0,2,0,0,0,0|1,0,1]=4 6662 B12R1.385 CSCOc1ccc(c(c1)N)F 34a_100012017239_100011218213 [0,2,0,0,0,0|1,0,1]=4 6663 B12R1.385 CSCOc1ccc(c(c1)N)N 34a_100025771000_100011218213 [0,2,0,0,0,0|1,0,1]=4 6664 B12R1.385 Cc1cc(ccc1Br)NCC=O 2230a_100000210723_200015260668 [0,2,0,0,0,0|2,0,0]=4 6665 B12R1.385 Cc1cc(ccc1Br)NCC=O 34a_100000210723_200009817547 [0,2,0,0,0,0|2,0,0]=4 6666 B12R1.385 Cc1cc(ccc1Br)NCC=O 7a_100000210723_200015260668 [0,2,0,0,0,0|2,0,0]=4 6667 B12R1.385 Cc1cc(ccc1Br)OCC#N 7a_100000690111_100011215382 [0,2,0,0,0,0|1,0,1]=4 6668 B12R1.385 Cc1cc(ccc1Br)OCC=O 34a_100000690111_200009817547 [0,2,0,0,0,0|1,0,0]=3 6669 B12R1.385 Cc1cc(ccc1Br)OCC=O 7a_100000690111_200015260668 [0,2,0,0,0,0|1,0,0]=3 6670 B12R1.385 Cc1cc(ccc1Br)OCCF 34a_100000690111_100011217306 [0,2,0,0,0,0|1,0,1]=4 6671 B12R1.385 Cc1cc(ccc1Br)OCCF 7a_100000690111_100011217306 [0,2,0,0,0,0|1,0,1]=4 6672 B12R1.385 Cc1cc(ccc1Br)OCCO 34a_100000690111_100000211926 [0,2,0,0,0,0|1,0,1]=4 6673 B12R1.385 Cc1cc(ccc1Br)OCCO 7a_100000690111_100000211926 [0,2,0,0,0,0|1,0,1]=4 6674 B12R1.385 Cc1cc(ccc1Br)SCC=O 62a_100009813585_200015260668 [0,2,0,0,0,0|1,1,0]=4 6675 B12R1.385 Cc1cc(ccc1Br)SCC=O 62a_200015260668_100009813585 [0,2,0,0,0,0|1,1,0]=4 6676 B12R1.385 Cc1cc(ccc1Cl)NCC=O 2230a_100000187808_200015260668 [0,2,0,0,0,0|2,0,0]=4 6677 B12R1.385 Cc1cc(ccc1Cl)NCC=O 34a_100000187808_200009817547 [0,2,0,0,0,0|2,0,0]=4 6678 B12R1.385 Cc1cc(ccc1Cl)NCC=O 7a_100000187808_200015260668 [0,2,0,0,0,0|2,0,0]=4 6679 B12R1.385 Cc1cc(ccc1Cl)OCC#N 7a_100000211092_100011215382 [0,2,0,0,0,0|1,0,1]=4 6680 B12R1.385 Cc1cc(ccc1Cl)OCC=O 34a_100000211092_200009817547 [0,2,0,0,0,0|1,0,0]=3 6681 B12R1.385 Cc1cc(ccc1Cl)OCC=O 7a_100000211092_200015260668 [0,2,0,0,0,0|1,0,0]=3 6682 B12R1.385 Cc1cc(ccc1Cl)OCCF 34a_100000211092_100011217306 [0,2,0,0,0,0|1,0,1]=4 6683 B12R1.385 Cc1cc(ccc1Cl)OCCF 7a_100000211092_100011217306 [0,2,0,0,0,0|1,0,1]=4 6684 B12R1.385 Cc1cc(ccc1Cl)OCCO 34a_100000211092_100000211926 [0,2,0,0,0,0|1,0,1]=4 6685 B12R1.385 Cc1cc(ccc1Cl)OCCO 7a_100000211092_100000211926 [0,2,0,0,0,0|1,0,1]=4 6686 B12R1.385 Cc1cc(ccc1Cl)SCC=O 62a_100000049509_200015260668 [0,2,0,0,0,0|1,1,0]=4 6687 B12R1.385 Cc1cc(ccc1Cl)SCC=O 62a_200015260668_100000049509 [0,2,0,0,0,0|1,1,0]=4 6688 B12R1.385 Cc1cc(ccc1F)NCC=O 2230a_100000750164_200015260668 [0,2,0,0,0,0|2,0,0]=4 6689 B12R1.385 Cc1cc(ccc1F)NCC=O 34a_100000750164_200009817547 [0,2,0,0,0,0|2,0,0]=4 6690 B12R1.385 Cc1cc(ccc1F)NCC=O 7a_100000750164_200015260668 [0,2,0,0,0,0|2,0,0]=4 6691 B12R1.385 Cc1cc(ccc1F)OCC#N 7a_100000751312_100011215382 [0,2,0,0,0,0|1,0,1]=4 6692 B12R1.385 Cc1cc(ccc1F)OCC=O 34a_100000751312_200009817547 [0,2,0,0,0,0|1,0,0]=3 6693 B12R1.385 Cc1cc(ccc1F)OCC=O 7a_100000751312_200015260668 [0,2,0,0,0,0|1,0,0]=3 6694 B12R1.385 Cc1cc(ccc1F)OCCF 34a_100000751312_100011217306 [0,2,0,0,0,0|1,0,1]=4 6695 B12R1.385 Cc1cc(ccc1F)OCCF 7a_100000751312_100011217306 [0,2,0,0,0,0|1,0,1]=4 6696 B12R1.385 Cc1cc(ccc1F)OCCO 34a_100000751312_100000211926 [0,2,0,0,0,0|1,0,1]=4 6697 B12R1.385 Cc1cc(ccc1F)OCCO 7a_100000751312_100000211926 [0,2,0,0,0,0|1,0,1]=4 6698 B12R1.385 Cc1cc(ccc1F)SCC=O 62a_100011218330_200015260668 [0,2,0,0,0,0|1,1,0]=4 6699 B12R1.385 Cc1cc(ccc1F)SCC=O 62a_200015260668_100011218330 [0,2,0,0,0,0|1,1,0]=4 6700 B12R1.385 Cc1cc(ccc1I)NCC=O 34a_100000198070_200009817547 [0,2,0,0,0,0|2,0,0]=4 6701 B12R1.385 Cc1cc(ccc1I)NCC=O 7a_100000198070_200015260668 [0,2,0,0,0,0|2,0,0]=4 6702 B12R1.385 Cc1cc(ccc1I)OCC#N 7a_100000729255_100011215382 [0,2,0,0,0,0|1,0,1]=4 6703 B12R1.385 Cc1cc(ccc1I)OCC=O 34a_100000729255_200009817547 [0,2,0,0,0,0|1,0,0]=3 6704 B12R1.385 Cc1cc(ccc1I)OCC=O 7a_100000729255_200015260668 [0,2,0,0,0,0|1,0,0]=3 6705 B12R1.385 Cc1cc(ccc1I)OCCF 34a_100000729255_100011217306 [0,2,0,0,0,0|1,0,1]=4 6706 B12R1.385 Cc1cc(ccc1I)OCCF 7a_100000729255_100011217306 [0,2,0,0,0,0|1,0,1]=4 6707 B12R1.385 Cc1cc(ccc1I)OCCO 34a_100000729255_100000211926 [0,2,0,0,0,0|1,0,1]=4 6708 B12R1.385 Cc1cc(ccc1I)OCCO 7a_100000729255_100000211926 [0,2,0,0,0,0|1,0,1]=4 6709 B12R1.385 Cc1cc(ccc1N)OCC#N 7a_100000756630_100011215382 [0,2,0,0,0,0|1,0,1]=4 6710 B12R1.385 Cc1cc(ccc1N)OCC=O 34a_100000756630_200009817547 [0,2,0,0,0,0|1,0,0]=3 6711 B12R1.385 Cc1cc(ccc1N)OCC=O 7a_100000756630_200015260668 [0,2,0,0,0,0|1,0,0]=3 6712 B12R1.385 Cc1cc(ccc1N)OCCF 34a_100000756630_100011217306 [0,2,0,0,0,0|1,0,1]=4 6713 B12R1.385 Cc1cc(ccc1N)OCCF 7a_100000756630_100011217306 [0,2,0,0,0,0|1,0,1]=4 6714 B12R1.385 Cc1cc(ccc1N)OCCO 34a_100000756630_100000211926 [0,2,0,0,0,0|1,0,1]=4 6715 B12R1.385 Cc1cc(ccc1N)OCCO 7a_100000756630_100000211926 [0,2,0,0,0,0|1,0,1]=4 6716 B12R1.385 Cc1cc(ccc1N)SCC=O 62a_100000211769_200015260668 [0,2,0,0,0,0|1,1,0]=4 6717 B12R1.385 Cc1cc(ccc1N)SCC=O 62a_200015260668_100000211769 [0,2,0,0,0,0|1,1,0]=4 6718 B12R1.385 Cc1cc(ccc1O)NCC=O 34a_100011218179_200009817547 [0,2,0,0,0,0|2,0,0]=4 6719 B12R1.385 Cc1cc(ccc1O)NCC=O 7a_100011218179_200015260668 [0,2,0,0,0,0|2,0,0]=4 6720 B12R1.385 Cc1cc(ccc1O)SCC=O 62a_200015260668_100000186361 [0,2,0,0,0,0|1,1,0]=4 6721 B12R1.385 Cc1cc(cnc1Br)OCC=O 34a_100012000486_200009817547 [0,2,0,0,0,0|2,0,0]=4 6722 B12R1.385 Cc1cc(cnc1Br)OCC=O 7a_100012000486_200015260668 [0,2,0,0,0,0|2,0,0]=4 6723 B12R1.385 Cc1cc(cnc1C)OCC=O 34a_100009854398_200009817547 [0,2,0,0,0,0|2,0,0]=4 6724 B12R1.385 Cc1cc(cnc1C)OCC=O 7a_100009854398_200015260668 [0,2,0,0,0,0|2,0,0]=4 6725 B12R1.385 Cc1cc(cnc1Cl)OCC=O 34a_100012002680_200009817547 [0,2,0,0,0,0|2,0,0]=4 6726 B12R1.385 Cc1cc(cnc1Cl)OCC=O 7a_100012002680_200015260668 [0,2,0,0,0,0|2,0,0]=4 6727 B12R1.385 Cc1cc(cnc1F)OCC=O 34a_100000094615_200009817547 [0,2,0,0,0,0|2,0,0]=4 6728 B12R1.385 Cc1cc(cnc1F)OCC=O 7a_100000094615_200015260668 [0,2,0,0,0,0|2,0,0]=4 6729 B12R1.385 Cc1cc(ncc1Br)OCC=O 34a_100000766222_200009817547 [0,2,0,0,0,0|2,0,0]=4 6730 B12R1.385 Cc1cc(ncc1Cl)OCC=O 34a_200000085746_200009817547 [0,2,0,0,0,0|2,0,0]=4 6731 B12R1.385 Cc1ccc(cc1Br)NCC=O 2230a_100000736455_200015260668 [0,2,0,0,0,0|2,0,0]=4 6732 B12R1.385 Cc1ccc(cc1Br)NCC=O 34a_100000736455_200009817547 [0,2,0,0,0,0|2,0,0]=4 6733 B12R1.385 Cc1ccc(cc1Br)NCC=O 7a_100000736455_200015260668 [0,2,0,0,0,0|2,0,0]=4 6734 B12R1.385 Cc1ccc(cc1Br)OCC#N 7a_100011380479_100011215382 [0,2,0,0,0,0|1,0,1]=4 6735 B12R1.385 Cc1ccc(cc1Br)OCC=O 34a_100011380479_200009817547 [0,2,0,0,0,0|1,0,0]=3 6736 B12R1.385 Cc1ccc(cc1Br)OCC=O 7a_100011380479_200015260668 [0,2,0,0,0,0|1,0,0]=3 6737 B12R1.385 Cc1ccc(cc1Br)OCCF 34a_100011380479_100011217306 [0,2,0,0,0,0|1,0,1]=4 6738 B12R1.385 Cc1ccc(cc1Br)OCCF 7a_100011380479_100011217306 [0,2,0,0,0,0|1,0,1]=4 6739 B12R1.385 Cc1ccc(cc1Br)OCCO 34a_100011380479_100000211926 [0,2,0,0,0,0|1,0,1]=4 6740 B12R1.385 Cc1ccc(cc1Br)OCCO 7a_100011380479_100000211926 [0,2,0,0,0,0|1,0,1]=4 6741 B12R1.385 Cc1ccc(cc1Br)SCC=O 62a_100011847877_200015260668 [0,2,0,0,0,0|1,1,0]=4 6742 B12R1.385 Cc1ccc(cc1Br)SCC=O 62a_200015260668_100011847877 [0,2,0,0,0,0|1,1,0]=4 6743 B12R1.385 Cc1ccc(cc1C)NCC=O 2230a_100000724040_200015260668 [0,2,0,0,0,0|2,0,0]=4 6744 B12R1.385 Cc1ccc(cc1C)NCC=O 34a_100000724040_200009817547 [0,2,0,0,0,0|2,0,0]=4 6745 B12R1.385 Cc1ccc(cc1C)NCC=O 7a_100000724040_200015260668 [0,2,0,0,0,0|2,0,0]=4 6746 B12R1.385 Cc1ccc(cc1C)OCC#N 7a_100000210932_100011215382 [0,2,0,0,0,0|1,0,1]=4 6747 B12R1.385 Cc1ccc(cc1C)OCC=O 34a_100000210932_200009817547 [0,2,0,0,0,0|1,0,0]=3 6748 B12R1.385 Cc1ccc(cc1C)OCC=O 7a_100000210932_200015260668 [0,2,0,0,0,0|1,0,0]=3 6749 B12R1.385 Cc1ccc(cc1C)OCCF 34a_100000210932_100011217306 [0,2,0,0,0,0|1,0,1]=4 6750 B12R1.385 Cc1ccc(cc1C)OCCF 7a_100000210932_100011217306 [0,2,0,0,0,0|1,0,1]=4 6751 B12R1.385 Cc1ccc(cc1C)OCCO 34a_100000210932_100000211926 [0,2,0,0,0,0|1,0,1]=4 6752 B12R1.385 Cc1ccc(cc1C)OCCO 7a_100000210932_100000211926 [0,2,0,0,0,0|1,0,1]=4 6753 B12R1.385 Cc1ccc(cc1C)SCC=O 62a_100011215607_200015260668 [0,2,0,0,0,0|1,1,0]=4 6754 B12R1.385 Cc1ccc(cc1C)SCC=O 62a_200015260668_100011215607 [0,2,0,0,0,0|1,1,0]=4 6755 B12R1.385 Cc1ccc(cc1Cl)NCC=O 2230a_100000188892_200015260668 [0,2,0,0,0,0|2,0,0]=4 6756 B12R1.385 Cc1ccc(cc1Cl)NCC=O 34a_100000188892_200009817547 [0,2,0,0,0,0|2,0,0]=4 6757 B12R1.385 Cc1ccc(cc1Cl)NCC=O 7a_100000188892_200015260668 [0,2,0,0,0,0|2,0,0]=4 6758 B12R1.385 Cc1ccc(cc1Cl)OCC#N 7a_100011265682_100011215382 [0,2,0,0,0,0|1,0,1]=4 6759 B12R1.385 Cc1ccc(cc1Cl)OCC=O 34a_100011265682_200009817547 [0,2,0,0,0,0|1,0,0]=3 6760 B12R1.385 Cc1ccc(cc1Cl)OCC=O 7a_100011265682_200015260668 [0,2,0,0,0,0|1,0,0]=3 6761 B12R1.385 Cc1ccc(cc1Cl)OCCF 34a_100011265682_100011217306 [0,2,0,0,0,0|1,0,1]=4 6762 B12R1.385 Cc1ccc(cc1Cl)OCCF 7a_100011265682_100011217306 [0,2,0,0,0,0|1,0,1]=4 6763 B12R1.385 Cc1ccc(cc1Cl)OCCO 34a_100011265682_100000211926 [0,2,0,0,0,0|1,0,1]=4 6764 B12R1.385 Cc1ccc(cc1Cl)OCCO 7a_100011265682_100000211926 [0,2,0,0,0,0|1,0,1]=4 6765 B12R1.385 Cc1ccc(cc1Cl)SCC=O 62a_100011216363_200015260668 [0,2,0,0,0,0|1,1,0]=4 6766 B12R1.385 Cc1ccc(cc1Cl)SCC=O 62a_200015260668_100011216363 [0,2,0,0,0,0|1,1,0]=4 6767 B12R1.385 Cc1ccc(cc1F)NCC=O 2230a_100000210958_200015260668 [0,2,0,0,0,0|2,0,0]=4 6768 B12R1.385 Cc1ccc(cc1F)NCC=O 34a_100000210958_200009817547 [0,2,0,0,0,0|2,0,0]=4 6769 B12R1.385 Cc1ccc(cc1F)NCC=O 7a_100000210958_200015260668 [0,2,0,0,0,0|2,0,0]=4 6770 B12R1.385 Cc1ccc(cc1F)OCC#N 7a_100000722560_100011215382 [0,2,0,0,0,0|1,0,1]=4 6771 B12R1.385 Cc1ccc(cc1F)OCC=O 34a_100000722560_200009817547 [0,2,0,0,0,0|1,0,0]=3 6772 B12R1.385 Cc1ccc(cc1F)OCC=O 7a_100000722560_200015260668 [0,2,0,0,0,0|1,0,0]=3 6773 B12R1.385 Cc1ccc(cc1F)OCCF 34a_100000722560_100011217306 [0,2,0,0,0,0|1,0,1]=4 6774 B12R1.385 Cc1ccc(cc1F)OCCF 7a_100000722560_100011217306 [0,2,0,0,0,0|1,0,1]=4 6775 B12R1.385 Cc1ccc(cc1F)OCCO 34a_100000722560_100000211926 [0,2,0,0,0,0|1,0,1]=4 6776 B12R1.385 Cc1ccc(cc1F)OCCO 7a_100000722560_100000211926 [0,2,0,0,0,0|1,0,1]=4 6777 B12R1.385 Cc1ccc(cc1F)SCC=O 62a_100000720648_200015260668 [0,2,0,0,0,0|1,1,0]=4 6778 B12R1.385 Cc1ccc(cc1F)SCC=O 62a_200015260668_100000720648 [0,2,0,0,0,0|1,1,0]=4 6779 B12R1.385 Cc1ccc(cc1I)NCC=O 34a_100000184131_200009817547 [0,2,0,0,0,0|2,0,0]=4 6780 B12R1.385 Cc1ccc(cc1I)NCC=O 7a_100000184131_200015260668 [0,2,0,0,0,0|2,0,0]=4 6781 B12R1.385 Cc1ccc(cc1N)OCC#N 7a_100011216113_100011215382 [0,2,0,0,0,0|1,0,1]=4 6782 B12R1.385 Cc1ccc(cc1N)OCC=O 34a_100011216113_200009817547 [0,2,0,0,0,0|1,0,0]=3 6783 B12R1.385 Cc1ccc(cc1N)OCC=O 7a_100011216113_200015260668 [0,2,0,0,0,0|1,0,0]=3 6784 B12R1.385 Cc1ccc(cc1N)OCCF 34a_100011216113_100011217306 [0,2,0,0,0,0|1,0,1]=4 6785 B12R1.385 Cc1ccc(cc1N)OCCF 7a_100011216113_100011217306 [0,2,0,0,0,0|1,0,1]=4 6786 B12R1.385 Cc1ccc(cc1N)OCCO 34a_100011216113_100000211926 [0,2,0,0,0,0|1,0,1]=4 6787 B12R1.385 Cc1ccc(cc1N)OCCO 7a_100011216113_100000211926 [0,2,0,0,0,0|1,0,1]=4 6788 B12R1.385 Cc1ccc(cc1N)SCC=O 62a_100000761890_200015260668 [0,2,0,0,0,0|1,1,0]=4 6789 B12R1.385 Cc1ccc(cc1N)SCC=O 62a_200015260668_100000761890 [0,2,0,0,0,0|1,1,0]=4 6790 B12R1.385 Cc1ccc(cc1O)NCC=O 34a_100000759471_200009817547 [0,2,0,0,0,0|2,0,0]=4 6791 B12R1.385 Cc1ccc(cc1O)NCC=O 7a_100000759471_200015260668 [0,2,0,0,0,0|2,0,0]=4 6792 B12R1.385 Cc1ccc(cc1O)SCC=O 62a_100000685420_200015260668 [0,2,0,0,0,0|1,1,0]=4 6793 B12R1.385 Cc1ccc(cc1O)SCC=O 62a_200015260668_100000685420 [0,2,0,0,0,0|1,1,0]=4 6794 B12R1.385 Cc1cnc(cc1Br)OCC=O 34a_100009831917_200009817547 [0,2,0,0,0,0|2,0,0]=4 6795 B12R1.385 Cc1nc(ccc1Br)OCC=O 34a_100000691680_200009817547 [0,2,0,0,0,0|2,0,0]=4 6796 B12R1.385 Cc1nc(ccc1Cl)OCC=O 34a_200009863735_200009817547 [0,2,0,0,0,0|2,0,0]=4 6797 B12R1.385 Cc1ncc(cc1Br)OCC=O 34a_100009819603_200009817547 [0,2,0,0,0,0|2,0,0]=4 6798 B12R1.385 Cc1ncc(cc1Br)OCC=O 7a_100009819603_200015260668 [0,2,0,0,0,0|2,0,0]=4 6799 B12R1.385 FCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100011217306 [0,2,0,0,0,0|1,0,1]=4 6800 B12R1.385 FCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100011217306 [0,2,0,0,0,0|1,0,1]=4 6801 B12R1.385 FCCOc1ccc(c(c1)Br)F 34a_100000693481_100011217306 [0,2,0,0,0,0|1,0,1]=4 6802 B12R1.385 FCCOc1ccc(c(c1)Br)F 7a_100000693481_100011217306 [0,2,0,0,0,0|1,0,1]=4 6803 B12R1.385 FCCOc1ccc(c(c1)Br)I 34a_100000701344_100011217306 [0,2,0,0,0,0|1,0,1]=4 6804 B12R1.385 FCCOc1ccc(c(c1)Br)I 7a_100000701344_100011217306 [0,2,0,0,0,0|1,0,1]=4 6805 B12R1.385 FCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100011217306 [0,2,0,0,0,0|1,0,1]=4 6806 B12R1.385 FCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100011217306 [0,2,0,0,0,0|1,0,1]=4 6807 B12R1.385 FCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100011217306 [0,2,0,0,0,0|1,0,1]=4 6808 B12R1.385 FCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100011217306 [0,2,0,0,0,0|1,0,1]=4 6809 B12R1.385 FCCOc1ccc(c(c1)Cl)F 34a_100000211030_100011217306 [0,2,0,0,0,0|1,0,1]=4 6810 B12R1.385 FCCOc1ccc(c(c1)Cl)F 7a_100000211030_100011217306 [0,2,0,0,0,0|1,0,1]=4 6811 B12R1.385 FCCOc1ccc(c(c1)Cl)I 34a_100000047559_100011217306 [0,2,0,0,0,0|1,0,1]=4 6812 B12R1.385 FCCOc1ccc(c(c1)Cl)I 7a_100000047559_100011217306 [0,2,0,0,0,0|1,0,1]=4 6813 B12R1.385 FCCOc1ccc(c(c1)F)Br 34a_100000755031_100011217306 [0,2,0,0,0,0|1,0,1]=4 6814 B12R1.385 FCCOc1ccc(c(c1)F)Br 7a_100000755031_100011217306 [0,2,0,0,0,0|1,0,1]=4 6815 B12R1.385 FCCOc1ccc(c(c1)F)Cl 34a_100000691581_100011217306 [0,2,0,0,0,0|1,0,1]=4 6816 B12R1.385 FCCOc1ccc(c(c1)F)Cl 7a_100000691581_100011217306 [0,2,0,0,0,0|1,0,1]=4 6817 B12R1.385 FCCOc1ccc(c(c1)F)F 34a_100000181275_100011217306 [0,2,0,0,0,0|1,0,1]=4 6818 B12R1.385 FCCOc1ccc(c(c1)F)F 7a_100000181275_100011217306 [0,2,0,0,0,0|1,0,1]=4 6819 B12R1.385 FCCOc1ccc(c(c1)F)I 34a_100009990212_100011217306 [0,2,0,0,0,0|1,0,1]=4 6820 B12R1.385 FCCOc1ccc(c(c1)F)I 7a_100009990212_100011217306 [0,2,0,0,0,0|1,0,1]=4 6821 B12R1.385 FCCOc1ccc(c(c1)I)Br 34a_100012339312_100011217306 [0,2,0,0,0,0|1,0,1]=4 6822 B12R1.385 FCCOc1ccc(c(c1)I)Br 7a_100012339312_100011217306 [0,2,0,0,0,0|1,0,1]=4 6823 B12R1.385 FCCOc1ccc(c(c1)I)Cl 34a_100000049588_100011217306 [0,2,0,0,0,0|1,0,1]=4 6824 B12R1.385 FCCOc1ccc(c(c1)I)Cl 7a_100000049588_100011217306 [0,2,0,0,0,0|1,0,1]=4 6825 B12R1.385 N#CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100011215382 [0,2,0,0,0,0|1,0,1]=4 6826 B12R1.385 N#CCOc1ccc(c(c1)Br)F 7a_100000693481_100011215382 [0,2,0,0,0,0|1,0,1]=4 6827 B12R1.385 N#CCOc1ccc(c(c1)Br)I 7a_100000701344_100011215382 [0,2,0,0,0,0|1,0,1]=4 6828 B12R1.385 N#CCOc1ccc(c(c1)Br)N 7a_100012001276_100011215382 [0,2,0,0,0,0|1,0,1]=4 6829 B12R1.385 N#CCOc1ccc(c(c1)Cl)Br 7a_100011215161_100011215382 [0,2,0,0,0,0|1,0,1]=4 6830 B12R1.385 N#CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100011215382 [0,2,0,0,0,0|1,0,1]=4 6831 B12R1.385 N#CCOc1ccc(c(c1)Cl)F 7a_100000211030_100011215382 [0,2,0,0,0,0|1,0,1]=4 6832 B12R1.385 N#CCOc1ccc(c(c1)Cl)I 7a_100000047559_100011215382 [0,2,0,0,0,0|1,0,1]=4 6833 B12R1.385 N#CCOc1ccc(c(c1)Cl)N 7a_100011215599_100011215382 [0,2,0,0,0,0|1,0,1]=4 6834 B12R1.385 N#CCOc1ccc(c(c1)F)Br 7a_100000755031_100011215382 [0,2,0,0,0,0|1,0,1]=4 6835 B12R1.385 N#CCOc1ccc(c(c1)F)Cl 7a_100000691581_100011215382 [0,2,0,0,0,0|1,0,1]=4 6836 B12R1.385 N#CCOc1ccc(c(c1)F)F 7a_100000181275_100011215382 [0,2,0,0,0,0|1,0,1]=4 6837 B12R1.385 N#CCOc1ccc(c(c1)F)I 7a_100009990212_100011215382 [0,2,0,0,0,0|1,0,1]=4 6838 B12R1.385 N#CCOc1ccc(c(c1)F)N 7a_100000759473_100011215382 [0,2,0,0,0,0|1,0,1]=4 6839 B12R1.385 N#CCOc1ccc(c(c1)I)Br 7a_100012339312_100011215382 [0,2,0,0,0,0|1,0,1]=4 6840 B12R1.385 N#CCOc1ccc(c(c1)I)Cl 7a_100000049588_100011215382 [0,2,0,0,0,0|1,0,1]=4 6841 B12R1.385 N#CCOc1ccc(c(c1)I)N 7a_100010084370_100011215382 [0,2,0,0,0,0|1,0,1]=4 6842 B12R1.385 N#CCOc1ccc(c(c1)N)Br 7a_100011999798_100011215382 [0,2,0,0,0,0|1,0,1]=4 6843 B12R1.385 N#CCOc1ccc(c(c1)N)F 7a_100012017239_100011215382 [0,2,0,0,0,0|1,0,1]=4 6844 B12R1.385 Nc1cc(ccc1Br)OCC=O 34a_100011999798_200009817547 [0,2,0,0,0,0|1,0,0]=3 6845 B12R1.385 Nc1cc(ccc1Br)OCC=O 7a_100011999798_200015260668 [0,2,0,0,0,0|1,0,0]=3 6846 B12R1.385 Nc1cc(ccc1Br)OCCF 34a_100011999798_100011217306 [0,2,0,0,0,0|1,0,1]=4 6847 B12R1.385 Nc1cc(ccc1Br)OCCF 7a_100011999798_100011217306 [0,2,0,0,0,0|1,0,1]=4 6848 B12R1.385 Nc1cc(ccc1Br)OCCO 34a_100011999798_100000211926 [0,2,0,0,0,0|1,0,1]=4 6849 B12R1.385 Nc1cc(ccc1Br)OCCO 7a_100011999798_100000211926 [0,2,0,0,0,0|1,0,1]=4 6850 B12R1.385 Nc1cc(ccc1Br)SCC=O 62a_100000750456_200015260668 [0,2,0,0,0,0|1,1,0]=4 6851 B12R1.385 Nc1cc(ccc1Br)SCC=O 62a_200015260668_100000750456 [0,2,0,0,0,0|1,1,0]=4 6852 B12R1.385 Nc1cc(ccc1Cl)OCC=O 34a_100011934297_200009817547 [0,2,0,0,0,0|1,0,0]=3 6853 B12R1.385 Nc1cc(ccc1Cl)OCCF 34a_100011934297_100011217306 [0,2,0,0,0,0|1,0,1]=4 6854 B12R1.385 Nc1cc(ccc1Cl)OCCO 34a_100011934297_100000211926 [0,2,0,0,0,0|1,0,1]=4 6855 B12R1.385 Nc1cc(ccc1Cl)SCC=O 62a_200000761891_200015260668 [0,2,0,0,0,0|1,1,0]=4 6856 B12R1.385 Nc1cc(ccc1Cl)SCC=O 62a_200015260668_200000761891 [0,2,0,0,0,0|1,1,0]=4 6857 B12R1.385 Nc1cc(ccc1F)OCC=O 34a_100012017239_200009817547 [0,2,0,0,0,0|1,0,0]=3 6858 B12R1.385 Nc1cc(ccc1F)OCC=O 7a_100012017239_200015260668 [0,2,0,0,0,0|1,0,0]=3 6859 B12R1.385 Nc1cc(ccc1F)OCCF 34a_100012017239_100011217306 [0,2,0,0,0,0|1,0,1]=4 6860 B12R1.385 Nc1cc(ccc1F)OCCF 7a_100012017239_100011217306 [0,2,0,0,0,0|1,0,1]=4 6861 B12R1.385 Nc1cc(ccc1F)OCCO 34a_100012017239_100000211926 [0,2,0,0,0,0|1,0,1]=4 6862 B12R1.385 Nc1cc(ccc1F)OCCO 7a_100012017239_100000211926 [0,2,0,0,0,0|1,0,1]=4 6863 B12R1.385 Nc1cc(ccc1F)SCC=O 62a_100000740924_200015260668 [0,2,0,0,0,0|1,1,0]=4 6864 B12R1.385 Nc1cc(ccc1F)SCC=O 62a_200015260668_100000740924 [0,2,0,0,0,0|1,1,0]=4 6865 B12R1.385 Nc1cc(ccc1O)SCC=O 62a_100000752626_200015260668 [0,2,0,0,0,0|1,1,0]=4 6866 B12R1.385 Nc1cc(ccc1O)SCC=O 62a_200015260668_100000752626 [0,2,0,0,0,0|1,1,0]=4 6867 B12R1.385 Nc1ccc(cc1Br)OCC=O 34a_100012001276_200009817547 [0,2,0,0,0,0|1,0,0]=3 6868 B12R1.385 Nc1ccc(cc1Br)OCC=O 7a_100012001276_200015260668 [0,2,0,0,0,0|1,0,0]=3 6869 B12R1.385 Nc1ccc(cc1Br)OCCF 34a_100012001276_100011217306 [0,2,0,0,0,0|1,0,1]=4 6870 B12R1.385 Nc1ccc(cc1Br)OCCF 7a_100012001276_100011217306 [0,2,0,0,0,0|1,0,1]=4 6871 B12R1.385 Nc1ccc(cc1Br)OCCO 34a_100012001276_100000211926 [0,2,0,0,0,0|1,0,1]=4 6872 B12R1.385 Nc1ccc(cc1Br)OCCO 7a_100012001276_100000211926 [0,2,0,0,0,0|1,0,1]=4 6873 B12R1.385 Nc1ccc(cc1Br)SCC=O 62a_100000750455_200015260668 [0,2,0,0,0,0|1,1,0]=4 6874 B12R1.385 Nc1ccc(cc1Br)SCC=O 62a_200015260668_100000750455 [0,2,0,0,0,0|1,1,0]=4 6875 B12R1.385 Nc1ccc(cc1Cl)OCC=O 34a_100011215599_200009817547 [0,2,0,0,0,0|1,0,0]=3 6876 B12R1.385 Nc1ccc(cc1Cl)OCC=O 7a_100011215599_200015260668 [0,2,0,0,0,0|1,0,0]=3 6877 B12R1.385 Nc1ccc(cc1Cl)OCCF 34a_100011215599_100011217306 [0,2,0,0,0,0|1,0,1]=4 6878 B12R1.385 Nc1ccc(cc1Cl)OCCF 7a_100011215599_100011217306 [0,2,0,0,0,0|1,0,1]=4 6879 B12R1.385 Nc1ccc(cc1Cl)OCCO 34a_100011215599_100000211926 [0,2,0,0,0,0|1,0,1]=4 6880 B12R1.385 Nc1ccc(cc1Cl)OCCO 7a_100011215599_100000211926 [0,2,0,0,0,0|1,0,1]=4 6881 B12R1.385 Nc1ccc(cc1Cl)SCC=O 62a_100011218065_200015260668 [0,2,0,0,0,0|1,1,0]=4 6882 B12R1.385 Nc1ccc(cc1Cl)SCC=O 62a_200015260668_100011218065 [0,2,0,0,0,0|1,1,0]=4 6883 B12R1.385 Nc1ccc(cc1F)OCC=O 34a_100000759473_200009817547 [0,2,0,0,0,0|1,0,0]=3 6884 B12R1.385 Nc1ccc(cc1F)OCC=O 7a_100000759473_200015260668 [0,2,0,0,0,0|1,0,0]=3 6885 B12R1.385 Nc1ccc(cc1F)OCCF 34a_100000759473_100011217306 [0,2,0,0,0,0|1,0,1]=4 6886 B12R1.385 Nc1ccc(cc1F)OCCF 7a_100000759473_100011217306 [0,2,0,0,0,0|1,0,1]=4 6887 B12R1.385 Nc1ccc(cc1F)OCCO 34a_100000759473_100000211926 [0,2,0,0,0,0|1,0,1]=4 6888 B12R1.385 Nc1ccc(cc1F)OCCO 7a_100000759473_100000211926 [0,2,0,0,0,0|1,0,1]=4 6889 B12R1.385 Nc1ccc(cc1F)SCC=O 62a_100011215594_200015260668 [0,2,0,0,0,0|1,1,0]=4 6890 B12R1.385 Nc1ccc(cc1F)SCC=O 62a_200015260668_100011215594 [0,2,0,0,0,0|1,1,0]=4 6891 B12R1.385 Nc1ccc(cc1I)OCC=O 34a_100010084370_200009817547 [0,2,0,0,0,0|1,0,0]=3 6892 B12R1.385 Nc1ccc(cc1I)OCC=O 7a_100010084370_200015260668 [0,2,0,0,0,0|1,0,0]=3 6893 B12R1.385 Nc1ccc(cc1I)OCCF 34a_100010084370_100011217306 [0,2,0,0,0,0|1,0,1]=4 6894 B12R1.385 Nc1ccc(cc1I)OCCF 7a_100010084370_100011217306 [0,2,0,0,0,0|1,0,1]=4 6895 B12R1.385 Nc1ccc(cc1I)OCCO 34a_100010084370_100000211926 [0,2,0,0,0,0|1,0,1]=4 6896 B12R1.385 Nc1ccc(cc1I)OCCO 7a_100010084370_100000211926 [0,2,0,0,0,0|1,0,1]=4 6897 B12R1.385 Nc1ccc(cc1N)OCC=O 34a_100025771000_200009817547 [0,2,0,0,0,0|1,0,0]=3 6898 B12R1.385 Nc1ccc(cc1N)OCCF 34a_100025771000_100011217306 [0,2,0,0,0,0|1,0,1]=4 6899 B12R1.385 Nc1ccc(cc1N)OCCO 34a_100025771000_100000211926 [0,2,0,0,0,0|1,0,1]=4 6900 B12R1.385 Nc1ccc(cc1N)SCC=O 62a_100000741789_200015260668 [0,2,0,0,0,0|1,1,0]=4 6901 B12R1.385 Nc1ccc(cc1N)SCC=O 62a_200015260668_100011534411 [0,2,0,0,0,0|1,1,0]=4 6902 B12R1.385 Nc1ccc(cc1O)SCC=O 62a_100000739049_200015260668 [0,2,0,0,0,0|1,1,0]=4 6903 B12R1.385 Nc1ccc(cc1O)SCC=O 62a_200015260668_100000739049 [0,2,0,0,0,0|1,1,0]=4 6904 B12R1.385 O=CCNc1ccc(c(c1)Br)Br 2230a_100011306057_200015260668 [0,2,0,0,0,0|2,0,0]=4 6905 B12R1.385 O=CCNc1ccc(c(c1)Br)Br 34a_100011306057_200009817547 [0,2,0,0,0,0|2,0,0]=4 6906 B12R1.385 O=CCNc1ccc(c(c1)Br)Br 7a_100011306057_200015260668 [0,2,0,0,0,0|2,0,0]=4 6907 B12R1.385 O=CCNc1ccc(c(c1)Br)Cl 2230a_100000686031_200015260668 [0,2,0,0,0,0|2,0,0]=4 6908 B12R1.385 O=CCNc1ccc(c(c1)Br)Cl 34a_100000686031_200009817547 [0,2,0,0,0,0|2,0,0]=4 6909 B12R1.385 O=CCNc1ccc(c(c1)Br)F 2230a_100000760356_200015260668 [0,2,0,0,0,0|2,0,0]=4 6910 B12R1.385 O=CCNc1ccc(c(c1)Br)F 34a_100000760356_200009817547 [0,2,0,0,0,0|2,0,0]=4 6911 B12R1.385 O=CCNc1ccc(c(c1)Br)F 7a_100000760356_200015260668 [0,2,0,0,0,0|2,0,0]=4 6912 B12R1.385 O=CCNc1ccc(c(c1)Br)I 34a_100000750458_200009817547 [0,2,0,0,0,0|2,0,0]=4 6913 B12R1.385 O=CCNc1ccc(c(c1)Br)O 34a_100011534360_200009817547 [0,2,0,0,0,0|2,0,0]=4 6914 B12R1.385 O=CCNc1ccc(c(c1)Cl)Br 2230a_100000687081_200015260668 [0,2,0,0,0,0|2,0,0]=4 6915 B12R1.385 O=CCNc1ccc(c(c1)Cl)Br 34a_100000687081_200009817547 [0,2,0,0,0,0|2,0,0]=4 6916 B12R1.385 O=CCNc1ccc(c(c1)Cl)Br 7a_100000687081_200015260668 [0,2,0,0,0,0|2,0,0]=4 6917 B12R1.385 O=CCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_200015260668 [0,2,0,0,0,0|2,0,0]=4 6918 B12R1.385 O=CCNc1ccc(c(c1)Cl)Cl 34a_100000184108_200009817547 [0,2,0,0,0,0|2,0,0]=4 6919 B12R1.385 O=CCNc1ccc(c(c1)Cl)F 2230a_100000211060_200015260668 [0,2,0,0,0,0|2,0,0]=4 6920 B12R1.385 O=CCNc1ccc(c(c1)Cl)F 34a_100000211060_200009817547 [0,2,0,0,0,0|2,0,0]=4 6921 B12R1.385 O=CCNc1ccc(c(c1)Cl)F 7a_100000211060_200015260668 [0,2,0,0,0,0|2,0,0]=4 6922 B12R1.385 O=CCNc1ccc(c(c1)Cl)I 34a_100000761885_200009817547 [0,2,0,0,0,0|2,0,0]=4 6923 B12R1.385 O=CCNc1ccc(c(c1)Cl)O 34a_100000744943_200009817547 [0,2,0,0,0,0|2,0,0]=4 6924 B12R1.385 O=CCNc1ccc(c(c1)F)Br 2230a_100000759894_200015260668 [0,2,0,0,0,0|2,0,0]=4 6925 B12R1.385 O=CCNc1ccc(c(c1)F)Br 34a_100000759894_200009817547 [0,2,0,0,0,0|2,0,0]=4 6926 B12R1.385 O=CCNc1ccc(c(c1)F)Br 7a_100000759894_200015260668 [0,2,0,0,0,0|2,0,0]=4 6927 B12R1.385 O=CCNc1ccc(c(c1)F)Cl 2230a_100000739366_200015260668 [0,2,0,0,0,0|2,0,0]=4 6928 B12R1.385 O=CCNc1ccc(c(c1)F)Cl 34a_100000739366_200009817547 [0,2,0,0,0,0|2,0,0]=4 6929 B12R1.385 O=CCNc1ccc(c(c1)F)Cl 7a_100000739366_200015260668 [0,2,0,0,0,0|2,0,0]=4 6930 B12R1.385 O=CCNc1ccc(c(c1)F)F 2230a_100000210724_200015260668 [0,2,0,0,0,0|2,0,0]=4 6931 B12R1.385 O=CCNc1ccc(c(c1)F)F 34a_100000210724_200009817547 [0,2,0,0,0,0|2,0,0]=4 6932 B12R1.385 O=CCNc1ccc(c(c1)F)F 7a_100000210724_200015260668 [0,2,0,0,0,0|2,0,0]=4 6933 B12R1.385 O=CCNc1ccc(c(c1)F)I 34a_100011356925_200009817547 [0,2,0,0,0,0|2,0,0]=4 6934 B12R1.385 O=CCNc1ccc(c(c1)F)I 7a_100011356925_200015260668 [0,2,0,0,0,0|2,0,0]=4 6935 B12R1.385 O=CCNc1ccc(c(c1)F)O 34a_100011220035_200009817547 [0,2,0,0,0,0|2,0,0]=4 6936 B12R1.385 O=CCNc1ccc(c(c1)F)O 7a_100011220035_200015260668 [0,2,0,0,0,0|2,0,0]=4 6937 B12R1.385 O=CCNc1ccc(c(c1)I)Br 34a_100000750459_200009817547 [0,2,0,0,0,0|2,0,0]=4 6938 B12R1.385 O=CCNc1ccc(c(c1)I)Cl 34a_100012360549_200009817547 [0,2,0,0,0,0|2,0,0]=4 6939 B12R1.385 O=CCNc1ccc(c(c1)I)F 34a_114828291077_200009817547 [0,2,0,0,0,0|2,0,0]=4 6940 B12R1.385 O=CCNc1ccc(c(c1)I)F 7a_114828291077_200015260668 [0,2,0,0,0,0|2,0,0]=4 6941 B12R1.385 O=CCNc1ccc(c(c1)O)Cl 34a_100011934209_200009817547 [0,2,0,0,0,0|2,0,0]=4 6942 B12R1.385 O=CCNc1ccc(c(c1)O)F 34a_100012017398_200009817547 [0,2,0,0,0,0|2,0,0]=4 6943 B12R1.385 O=CCNc1ccc(c(c1)O)F 7a_100012017398_200015260668 [0,2,0,0,0,0|2,0,0]=4 6944 B12R1.385 O=CCNc1ccc(c(c1)O)O 34a_100102946323_200009817547 [0,2,0,0,0,0|2,0,0]=4 6945 B12R1.385 O=CCOc1cc(c(cn1)Br)Cl 34a_100010369989_200009817547 [0,2,0,0,0,0|2,0,0]=4 6946 B12R1.385 O=CCOc1cc(c(cn1)Cl)Cl 34a_200000099200_200009817547 [0,2,0,0,0,0|2,0,0]=4 6947 B12R1.385 O=CCOc1ccc(c(c1)Br)Cl 34a_100011933957_200009817547 [0,2,0,0,0,0|1,0,0]=3 6948 B12R1.385 O=CCOc1ccc(c(c1)Br)Cl 7a_100011933957_200015260668 [0,2,0,0,0,0|1,0,0]=3 6949 B12R1.385 O=CCOc1ccc(c(c1)Br)F 34a_100000693481_200009817547 [0,2,0,0,0,0|1,0,0]=3 6950 B12R1.385 O=CCOc1ccc(c(c1)Br)F 7a_100000693481_200015260668 [0,2,0,0,0,0|1,0,0]=3 6951 B12R1.385 O=CCOc1ccc(c(c1)Br)I 34a_100000701344_200009817547 [0,2,0,0,0,0|1,0,0]=3 6952 B12R1.385 O=CCOc1ccc(c(c1)Br)I 7a_100000701344_200015260668 [0,2,0,0,0,0|1,0,0]=3 6953 B12R1.385 O=CCOc1ccc(c(c1)Cl)Br 34a_100011215161_200009817547 [0,2,0,0,0,0|1,0,0]=3 6954 B12R1.385 O=CCOc1ccc(c(c1)Cl)Br 7a_100011215161_200015260668 [0,2,0,0,0,0|1,0,0]=3 6955 B12R1.385 O=CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_200009817547 [0,2,0,0,0,0|1,0,0]=3 6956 B12R1.385 O=CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_200015260668 [0,2,0,0,0,0|1,0,0]=3 6957 B12R1.385 O=CCOc1ccc(c(c1)Cl)F 34a_100000211030_200009817547 [0,2,0,0,0,0|1,0,0]=3 6958 B12R1.385 O=CCOc1ccc(c(c1)Cl)F 7a_100000211030_200015260668 [0,2,0,0,0,0|1,0,0]=3 6959 B12R1.385 O=CCOc1ccc(c(c1)Cl)I 34a_100000047559_200009817547 [0,2,0,0,0,0|1,0,0]=3 6960 B12R1.385 O=CCOc1ccc(c(c1)Cl)I 7a_100000047559_200015260668 [0,2,0,0,0,0|1,0,0]=3 6961 B12R1.385 O=CCOc1ccc(c(c1)F)Br 34a_100000755031_200009817547 [0,2,0,0,0,0|1,0,0]=3 6962 B12R1.385 O=CCOc1ccc(c(c1)F)Br 7a_100000755031_200015260668 [0,2,0,0,0,0|1,0,0]=3 6963 B12R1.385 O=CCOc1ccc(c(c1)F)Cl 34a_100000691581_200009817547 [0,2,0,0,0,0|1,0,0]=3 6964 B12R1.385 O=CCOc1ccc(c(c1)F)Cl 7a_100000691581_200015260668 [0,2,0,0,0,0|1,0,0]=3 6965 B12R1.385 O=CCOc1ccc(c(c1)F)F 34a_100000181275_200009817547 [0,2,0,0,0,0|1,0,0]=3 6966 B12R1.385 O=CCOc1ccc(c(c1)F)F 7a_100000181275_200015260668 [0,2,0,0,0,0|1,0,0]=3 6967 B12R1.385 O=CCOc1ccc(c(c1)F)I 34a_100009990212_200009817547 [0,2,0,0,0,0|1,0,0]=3 6968 B12R1.385 O=CCOc1ccc(c(c1)F)I 7a_100009990212_200015260668 [0,2,0,0,0,0|1,0,0]=3 6969 B12R1.385 O=CCOc1ccc(c(c1)I)Br 34a_100012339312_200009817547 [0,2,0,0,0,0|1,0,0]=3 6970 B12R1.385 O=CCOc1ccc(c(c1)I)Br 7a_100012339312_200015260668 [0,2,0,0,0,0|1,0,0]=3 6971 B12R1.385 O=CCOc1ccc(c(c1)I)Cl 34a_100000049588_200009817547 [0,2,0,0,0,0|1,0,0]=3 6972 B12R1.385 O=CCOc1ccc(c(c1)I)Cl 7a_100000049588_200015260668 [0,2,0,0,0,0|1,0,0]=3 6973 B12R1.385 O=CCOc1ccc(c(n1)F)Br 34a_100009879308_200009817547 [0,2,0,0,0,0|2,0,0]=4 6974 B12R1.385 O=CCOc1cnc(c(c1)Br)Cl 34a_100012356455_200009817547 [0,2,0,0,0,0|2,0,0]=4 6975 B12R1.385 O=CCOc1cnc(c(c1)Br)Cl 7a_100012356455_200015260668 [0,2,0,0,0,0|2,0,0]=4 6976 B12R1.385 O=CCOc1cnc(c(c1)Br)F 34a_100009817267_200009817547 [0,2,0,0,0,0|2,0,0]=4 6977 B12R1.385 O=CCOc1cnc(c(c1)Br)F 7a_100009817267_200015260668 [0,2,0,0,0,0|2,0,0]=4 6978 B12R1.385 O=CCOc1cnc(c(c1)Cl)Br 34a_100010209684_200009817547 [0,2,0,0,0,0|2,0,0]=4 6979 B12R1.385 O=CCOc1cnc(c(c1)Cl)Br 7a_100010209684_200015260668 [0,2,0,0,0,0|2,0,0]=4 6980 B12R1.385 O=CCOc1cnc(c(c1)Cl)Cl 34a_100000094354_200009817547 [0,2,0,0,0,0|2,0,0]=4 6981 B12R1.385 O=CCOc1cnc(c(c1)Cl)Cl 7a_100000094354_200015260668 [0,2,0,0,0,0|2,0,0]=4 6982 B12R1.385 O=CCOc1cnc(c(c1)Cl)F 34a_100000087088_200009817547 [0,2,0,0,0,0|2,0,0]=4 6983 B12R1.385 O=CCOc1cnc(c(c1)Cl)F 7a_100000087088_200015260668 [0,2,0,0,0,0|2,0,0]=4 6984 B12R1.385 O=CCOc1cnc(c(c1)F)Cl 34a_100000063512_200009817547 [0,2,0,0,0,0|2,0,0]=4 6985 B12R1.385 O=CCOc1cnc(c(c1)F)Cl 7a_100000063512_200015260668 [0,2,0,0,0,0|2,0,0]=4 6986 B12R1.385 O=CCSc1ccc(c(c1)Br)Br 62a_100012356285_200015260668 [0,2,0,0,0,0|1,1,0]=4 6987 B12R1.385 O=CCSc1ccc(c(c1)Br)Br 62a_200015260668_100012356285 [0,2,0,0,0,0|1,1,0]=4 6988 B12R1.385 O=CCSc1ccc(c(c1)Br)Cl 62a_100012353702_200015260668 [0,2,0,0,0,0|1,1,0]=4 6989 B12R1.385 O=CCSc1ccc(c(c1)Br)Cl 62a_200015260668_100012353702 [0,2,0,0,0,0|1,1,0]=4 6990 B12R1.385 O=CCSc1ccc(c(c1)Br)F 62a_100012047266_200015260668 [0,2,0,0,0,0|1,1,0]=4 6991 B12R1.385 O=CCSc1ccc(c(c1)Br)F 62a_200015260668_100012047266 [0,2,0,0,0,0|1,1,0]=4 6992 B12R1.385 O=CCSc1ccc(c(c1)Br)O 62a_100012361655_200015260668 [0,2,0,0,0,0|1,1,0]=4 6993 B12R1.385 O=CCSc1ccc(c(c1)Br)O 62a_200015260668_100012361655 [0,2,0,0,0,0|1,1,0]=4 6994 B12R1.385 O=CCSc1ccc(c(c1)Cl)Br 62a_100012047281_200015260668 [0,2,0,0,0,0|1,1,0]=4 6995 B12R1.385 O=CCSc1ccc(c(c1)Cl)Br 62a_200015260668_100012047281 [0,2,0,0,0,0|1,1,0]=4 6996 B12R1.385 O=CCSc1ccc(c(c1)Cl)Cl 62a_100011214914_200015260668 [0,2,0,0,0,0|1,1,0]=4 6997 B12R1.385 O=CCSc1ccc(c(c1)Cl)Cl 62a_200015260668_100011214914 [0,2,0,0,0,0|1,1,0]=4 6998 B12R1.385 O=CCSc1ccc(c(c1)Cl)F 62a_100011215976_200015260668 [0,2,0,0,0,0|1,1,0]=4 6999 B12R1.385 O=CCSc1ccc(c(c1)Cl)F 62a_200015260668_100011215976 [0,2,0,0,0,0|1,1,0]=4 7000 B12R1.385 O=CCSc1ccc(c(c1)Cl)O 62a_100012360047_200015260668 [0,2,0,0,0,0|1,1,0]=4 7001 B12R1.385 O=CCSc1ccc(c(c1)Cl)O 62a_200015260668_100012360047 [0,2,0,0,0,0|1,1,0]=4 7002 B12R1.385 O=CCSc1ccc(c(c1)F)Br 62a_100000685389_200015260668 [0,2,0,0,0,0|1,1,0]=4 7003 B12R1.385 O=CCSc1ccc(c(c1)F)Br 62a_200015260668_100000685389 [0,2,0,0,0,0|1,1,0]=4 7004 B12R1.385 O=CCSc1ccc(c(c1)F)Cl 62a_100011216805_200015260668 [0,2,0,0,0,0|1,1,0]=4 7005 B12R1.385 O=CCSc1ccc(c(c1)F)Cl 62a_200015260668_100011216805 [0,2,0,0,0,0|1,1,0]=4 7006 B12R1.385 O=CCSc1ccc(c(c1)F)F 62a_100000703953_200015260668 [0,2,0,0,0,0|1,1,0]=4 7007 B12R1.385 O=CCSc1ccc(c(c1)F)F 62a_200015260668_100000703953 [0,2,0,0,0,0|1,1,0]=4 7008 B12R1.385 O=CCSc1ccc(c(c1)F)O 62a_100000185481_200015260668 [0,2,0,0,0,0|1,1,0]=4 7009 B12R1.385 O=CCSc1ccc(c(c1)F)O 62a_200015260668_100000185481 [0,2,0,0,0,0|1,1,0]=4 7010 B12R1.385 O=CCSc1ccc(c(c1)O)Br 62a_100012356990_200015260668 [0,2,0,0,0,0|1,1,0]=4 7011 B12R1.385 O=CCSc1ccc(c(c1)O)Br 62a_200015260668_100012356990 [0,2,0,0,0,0|1,1,0]=4 7012 B12R1.385 O=CCSc1ccc(c(c1)O)Cl 62a_100011356854_200015260668 [0,2,0,0,0,0|1,1,0]=4 7013 B12R1.385 O=CCSc1ccc(c(c1)O)Cl 62a_200015260668_100011356854 [0,2,0,0,0,0|1,1,0]=4 7014 B12R1.385 O=CCSc1ccc(c(c1)O)F 62a_100000686035_200015260668 [0,2,0,0,0,0|1,1,0]=4 7015 B12R1.385 O=CCSc1ccc(c(c1)O)F 62a_200015260668_100000686035 [0,2,0,0,0,0|1,1,0]=4 7016 B12R1.385 O=CCSc1ccc(c(c1)O)O 62a_200015260668_100009813601 [0,2,0,0,0,0|1,1,0]=4 7017 B12R1.385 OCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000211926 [0,2,0,0,0,0|1,0,1]=4 7018 B12R1.385 OCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000211926 [0,2,0,0,0,0|1,0,1]=4 7019 B12R1.385 OCCOc1ccc(c(c1)Br)F 34a_100000693481_100000211926 [0,2,0,0,0,0|1,0,1]=4 7020 B12R1.385 OCCOc1ccc(c(c1)Br)F 7a_100000693481_100000211926 [0,2,0,0,0,0|1,0,1]=4 7021 B12R1.385 OCCOc1ccc(c(c1)Br)I 34a_100000701344_100000211926 [0,2,0,0,0,0|1,0,1]=4 7022 B12R1.385 OCCOc1ccc(c(c1)Br)I 7a_100000701344_100000211926 [0,2,0,0,0,0|1,0,1]=4 7023 B12R1.385 OCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000211926 [0,2,0,0,0,0|1,0,1]=4 7024 B12R1.385 OCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000211926 [0,2,0,0,0,0|1,0,1]=4 7025 B12R1.385 OCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000211926 [0,2,0,0,0,0|1,0,1]=4 7026 B12R1.385 OCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000211926 [0,2,0,0,0,0|1,0,1]=4 7027 B12R1.385 OCCOc1ccc(c(c1)Cl)F 34a_100000211030_100000211926 [0,2,0,0,0,0|1,0,1]=4 7028 B12R1.385 OCCOc1ccc(c(c1)Cl)F 7a_100000211030_100000211926 [0,2,0,0,0,0|1,0,1]=4 7029 B12R1.385 OCCOc1ccc(c(c1)Cl)I 34a_100000047559_100000211926 [0,2,0,0,0,0|1,0,1]=4 7030 B12R1.385 OCCOc1ccc(c(c1)Cl)I 7a_100000047559_100000211926 [0,2,0,0,0,0|1,0,1]=4 7031 B12R1.385 OCCOc1ccc(c(c1)F)Br 34a_100000755031_100000211926 [0,2,0,0,0,0|1,0,1]=4 7032 B12R1.385 OCCOc1ccc(c(c1)F)Br 7a_100000755031_100000211926 [0,2,0,0,0,0|1,0,1]=4 7033 B12R1.385 OCCOc1ccc(c(c1)F)Cl 34a_100000691581_100000211926 [0,2,0,0,0,0|1,0,1]=4 7034 B12R1.385 OCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000211926 [0,2,0,0,0,0|1,0,1]=4 7035 B12R1.385 OCCOc1ccc(c(c1)F)F 34a_100000181275_100000211926 [0,2,0,0,0,0|1,0,1]=4 7036 B12R1.385 OCCOc1ccc(c(c1)F)F 7a_100000181275_100000211926 [0,2,0,0,0,0|1,0,1]=4 7037 B12R1.385 OCCOc1ccc(c(c1)F)I 34a_100009990212_100000211926 [0,2,0,0,0,0|1,0,1]=4 7038 B12R1.385 OCCOc1ccc(c(c1)F)I 7a_100009990212_100000211926 [0,2,0,0,0,0|1,0,1]=4 7039 B12R1.385 OCCOc1ccc(c(c1)I)Br 34a_100012339312_100000211926 [0,2,0,0,0,0|1,0,1]=4 7040 B12R1.385 OCCOc1ccc(c(c1)I)Br 7a_100012339312_100000211926 [0,2,0,0,0,0|1,0,1]=4 7041 B12R1.385 OCCOc1ccc(c(c1)I)Cl 34a_100000049588_100000211926 [0,2,0,0,0,0|1,0,1]=4 7042 B12R1.385 OCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000211926 [0,2,0,0,0,0|1,0,1]=4 7043 B12R1.3 C=CCC(OC)c1ccccc1 34a_100000687291_200000210301 [0,2,0,0,0,0|1,0,0]=3 7044 B12R1.3 C=CCC(OC)c1ccccc1 7a_100000687291_200000210301 [0,2,0,0,0,0|1,0,0]=3 7045 B12R1.3 C=CCC(O[13CH3])c1ccccc1 34a_100000687291_200025704644 [0,2,0,0,0,0|1,0,0]=3 7046 B12R1.3 C=CCC(O[13CH3])c1ccccc1 7a_100000687291_200025704644 [0,2,0,0,0,0|1,0,0]=3 7047 B12R1.3 C=CCN(CC)c1ccccc1 2230a_100000210013_100000210623 [0,2,0,0,0,0|1,0,0]=3 7048 B12R1.3 C=CCN(CC)c1ccccc1 2230a_100000211662_100000210202 [0,2,0,0,0,0|1,0,0]=3 7049 B12R1.3 C=CCN(CC)c1ccccc1 269982a_100000210013_100000210623 [0,2,0,0,0,0|1,0,0]=3 7050 B12R1.3 C=CCN(CC)c1ccccc1 269982a_100000211662_100000204670 [0,2,0,0,0,0|1,0,0]=3 7051 B12R1.3 C=CCN(CC)c1ccccc1 34a_100000210013_100015514636 [0,2,0,0,0,0|1,0,0]=3 7052 B12R1.3 C=CCN(CC)c1ccccc1 34a_100000211662_100000210202 [0,2,0,0,0,0|1,0,0]=3 7053 B12R1.3 C=CCN(CF)c1ccccc1 269982a_100000211662_100015361967 [0,2,0,0,0,0|1,0,0]=3 7054 B12R1.3 C=CCN(CF)c1ccccc1 34a_100000211662_100015361967 [0,2,0,0,0,0|1,0,0]=3 7055 B12R1.3 CCN(CC=O)c1ccccc1 2230a_100000210013_200015260668 [0,2,0,0,0,0|2,0,0]=4 7056 B12R1.3 CCN(CC=O)c1ccccc1 269982a_100000210013_200015260668 [0,2,0,0,0,0|2,0,0]=4 7057 B12R1.3 CCN(CC=O)c1ccccc1 34a_100000210013_200009817547 [0,2,0,0,0,0|2,0,0]=4 7058 B12R1.17 C=CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210623 [0,2,0,0,0,0|1,0,0]=3 7059 B12R1.17 C=CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210623 [0,2,0,0,0,0|1,0,0]=3 7060 B12R1.17 C=CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210623 [0,2,0,0,0,0|1,0,0]=3 7061 B12R1.17 C=CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210623 [0,2,0,0,0,0|1,0,0]=3 7062 B12R1.17 C=CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210623 [0,2,0,0,0,0|1,0,0]=3 7063 B12R1.17 C=CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210623 [0,2,0,0,0,0|1,0,0]=3 7064 B12R1.17 C=CCN(C)c1cccc(c1)Br 2230a_100000219648_100000210623 [0,2,0,0,0,0|1,0,0]=3 7065 B12R1.17 C=CCN(C)c1cccc(c1)Br 269982a_100000219648_100000210623 [0,2,0,0,0,0|1,0,0]=3 7066 B12R1.17 C=CCN(C)c1cccc(c1)Br 34a_100000219648_100015514636 [0,2,0,0,0,0|1,0,0]=3 7067 B12R1.17 C=CCN(C)c1cccc(c1)C 2230a_100000219674_100000210623 [0,2,0,0,0,0|1,0,0]=3 7068 B12R1.17 C=CCN(C)c1cccc(c1)C 269982a_100000219674_100000210623 [0,2,0,0,0,0|1,0,0]=3 7069 B12R1.17 C=CCN(C)c1cccc(c1)C 34a_100000219674_100015514636 [0,2,0,0,0,0|1,0,0]=3 7070 B12R1.17 C=CCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210623 [0,2,0,0,0,0|1,0,0]=3 7071 B12R1.17 C=CCN(C)c1cccc(c1)Cl 269982a_100000220044_100000210623 [0,2,0,0,0,0|1,0,0]=3 7072 B12R1.17 C=CCN(C)c1cccc(c1)Cl 34a_100000220044_100015514636 [0,2,0,0,0,0|1,0,0]=3 7073 B12R1.17 C=CCN(C)c1cccc(c1)F 2230a_100020633736_100000210623 [0,2,0,0,0,0|1,0,0]=3 7074 B12R1.17 C=CCN(C)c1cccc(c1)F 269982a_100020633736_100000210623 [0,2,0,0,0,0|1,0,0]=3 7075 B12R1.17 C=CCN(C)c1cccc(c1)F 34a_100020633736_100015514636 [0,2,0,0,0,0|1,0,0]=3 7076 B12R1.17 C=CCN(C)c1cccc(c1)I 2230a_100000221217_100000210623 [0,2,0,0,0,0|1,0,0]=3 7077 B12R1.17 C=CCN(C)c1cccc(c1)I 269982a_100000221217_100000210623 [0,2,0,0,0,0|1,0,0]=3 7078 B12R1.17 C=CCN(C)c1cccc(c1)I 34a_100000221217_100015514636 [0,2,0,0,0,0|1,0,0]=3 7079 B12R1.17 C=CCN(C)c1cccc(c1)O 2230a_100000756613_100000210623 [0,2,0,0,0,0|1,0,0]=3 7080 B12R1.17 C=CCN(C)c1cccc(c1)O 269982a_100000756613_100000210623 [0,2,0,0,0,0|1,0,0]=3 7081 B12R1.17 C=CCN(C)c1cccc(c1)O 34a_100000756613_100015514636 [0,2,0,0,0,0|1,0,0]=3 7082 B12R1.17 CN(CC=O)c1cccc(c1)Br 2230a_100000219648_200015260668 [0,2,0,0,0,0|2,0,0]=4 7083 B12R1.17 CN(CC=O)c1cccc(c1)Br 269982a_100000219648_200015260668 [0,2,0,0,0,0|2,0,0]=4 7084 B12R1.17 CN(CC=O)c1cccc(c1)Br 34a_100000219648_200009817547 [0,2,0,0,0,0|2,0,0]=4 7085 B12R1.17 CN(CC=O)c1cccc(c1)Cl 2230a_100000220044_200015260668 [0,2,0,0,0,0|2,0,0]=4 7086 B12R1.17 CN(CC=O)c1cccc(c1)Cl 269982a_100000220044_200015260668 [0,2,0,0,0,0|2,0,0]=4 7087 B12R1.17 CN(CC=O)c1cccc(c1)Cl 34a_100000220044_200009817547 [0,2,0,0,0,0|2,0,0]=4 7088 B12R1.17 CN(CC=O)c1cccc(c1)F 2230a_100020633736_200015260668 [0,2,0,0,0,0|2,0,0]=4 7089 B12R1.17 CN(CC=O)c1cccc(c1)F 269982a_100020633736_200015260668 [0,2,0,0,0,0|2,0,0]=4 7090 B12R1.17 CN(CC=O)c1cccc(c1)F 34a_100020633736_200009817547 [0,2,0,0,0,0|2,0,0]=4 7091 B12R1.17 CN(CC=O)c1cccc(c1)I 2230a_100000221217_200015260668 [0,2,0,0,0,0|2,0,0]=4 7092 B12R1.17 CN(CC=O)c1cccc(c1)I 269982a_100000221217_200015260668 [0,2,0,0,0,0|2,0,0]=4 7093 B12R1.17 CN(CC=O)c1cccc(c1)I 34a_100000221217_200009817547 [0,2,0,0,0,0|2,0,0]=4 7094 B12R1.17 CN(CC=O)c1cccc(c1)O 2230a_100000756613_200015260668 [0,2,0,0,0,0|2,0,0]=4 7095 B12R1.17 CN(CC=O)c1cccc(c1)O 269982a_100000756613_200015260668 [0,2,0,0,0,0|2,0,0]=4 7096 B12R1.17 CN(CC=O)c1cccc(c1)O 34a_100000756613_200009817547 [0,2,0,0,0,0|2,0,0]=4 7097 B12R1.17 Cc1cccc(c1)N(C)CC=O 2230a_100000219674_200015260668 [0,2,0,0,0,0|2,0,0]=4 7098 B12R1.17 Cc1cccc(c1)N(C)CC=O 269982a_100000219674_200015260668 [0,2,0,0,0,0|2,0,0]=4 7099 B12R1.17 Cc1cccc(c1)N(C)CC=O 34a_100000219674_200009817547 [0,2,0,0,0,0|2,0,0]=4 7100 B12R1.30 C#CCOC(C)c1ccccc1 34a_100000210247_100000211855 [0,2,0,0,0,0|0,0,2]=4 7101 B12R1.30 C#CCO[C@H](C)c1ccccc1 34a_100000761318_100000184674 [0,2,0,0,0,0|0,0,2]=4 7102 B12R1.30 C#CCO[C@H](C)c1ccccc1 7a_100000761318_100000038162 [0,2,0,0,0,0|0,0,2]=4 7103 B12R1.30 C/C=C/CC(=O)c1ccccc1 1458a_100000185807_100102629194 [0,2,0,0,0,0|1,0,0]=3 7104 B12R1.30 C/C=C/CN(C)c1ccccc1 269982a_100000210012_100102629194 [0,2,0,0,0,0|1,0,0]=3 7105 B12R1.30 C/C=C/CN(C)c1ccccc1 34a_100000210012_100102629194 [0,2,0,0,0,0|1,0,0]=3 7106 B12R1.30 C=CCCC(=O)c1ccccc1 1458a_100000185807_100000754431 [0,2,0,0,0,0|1,0,0]=3 7107 B12R1.30 C=CCCN(C)c1ccccc1 2230a_100000210012_100000754431 [0,2,0,0,0,0|1,0,0]=3 7108 B12R1.30 C=CCCN(C)c1ccccc1 269982a_100000210012_100000754431 [0,2,0,0,0,0|1,0,0]=3 7109 B12R1.30 C=CCCN(C)c1ccccc1 34a_100000210012_100000754431 [0,2,0,0,0,0|1,0,0]=3 7110 B12R1.30 C=CCNC(=O)c1ccccc1 1626a_100020586998_100000185807 [0,2,0,0,0,0|1,0,0]=3 7111 B12R1.30 C=CCNC(=O)c1ccccc1 240690a_100020586998_100000185807 [0,2,0,0,0,0|1,0,0]=3 7112 B12R1.30 C=CCNC(=O)c1ccccc1 527a_100020586998_100000185807 [0,2,0,0,0,0|1,0,0]=3 7113 B12R1.30 C=CCNC(C)c1ccccc1 2230a_100020586998_100000230085 [0,2,0,0,0,0|1,0,0]=3 7114 B12R1.30 C=CCNC(C)c1ccccn1 2230a_100000181244_100000210623 [0,2,0,0,0,0|2,0,0]=4 7115 B12R1.30 C=CCNC(C)c1cccnc1 2230a_100000195435_100000210623 [0,2,0,0,0,0|2,0,0]=4 7116 B12R1.30 C=CCNC(C)c1ccncc1 2230a_100000181269_100000210623 [0,2,0,0,0,0|2,0,0]=4 7117 B12R1.30 C=CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210623 [0,2,0,0,0,0|1,0,0]=3 7118 B12R1.30 C=CCOC(C)c1ccccc1 34a_200000210373_100000211855 [0,2,0,0,0,0|0,0,0]=2 7119 B12R1.30 C=CCO[C@H](C)c1ccccc1 34a_100000761318_100015514636 [0,2,0,0,0,0|0,0,0]=2 7120 B12R1.30 C=CCO[C@H](C)c1ccccc1 7a_100000761318_100015514636 [0,2,0,0,0,0|0,0,0]=2 7121 B12R1.30 C=CCSC(C)c1ccccc1 62a_100000210623_100000230085 [0,2,0,0,0,0|0,1,0]=3 7122 B12R1.30 C=CCSC(C)c1ccccc1 62a_100000230085_100000210623 [0,2,0,0,0,0|0,1,0]=3 7123 B12R1.30 CC(OCCBr)c1ccccc1 34a_100000211926_100000211855 [0,2,0,0,0,0|1,0,1]=4 7124 B12R1.30 CC(OCCN)c1ccccc1 34a_100000210304_100000211855 [0,2,0,0,0,0|1,0,1]=4 7125 B12R1.30 CC(SCC=O)c1ccccc1 62a_100000230085_200015260668 [0,2,0,0,0,0|1,1,0]=4 7126 B12R1.30 CC(SCC=O)c1ccccc1 62a_200015260668_100000230085 [0,2,0,0,0,0|1,1,0]=4 7127 B12R1.30 CC=CCC(=O)c1ccccc1 1458a_100000185807_100000070051 [0,2,0,0,0,0|1,0,0]=3 7128 B12R1.30 CC=CCN(C)c1ccccc1 2230a_100000210012_100000070051 [0,2,0,0,0,0|1,0,0]=3 7129 B12R1.30 CC=CCN(C)c1ccccc1 34a_100000210012_100000070051 [0,2,0,0,0,0|1,0,0]=3 7130 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [0,2,0,0,0,0|0,0,2]=4 7131 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [0,2,0,0,0,0|0,0,2]=4 7132 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [0,2,0,0,0,0|0,0,2]=4 7133 B12R1.30 CNCOC(=O)c1ccccc1 7a_106832991635_100000073877 [0,2,0,0,0,0|1,0,1]=4 7134 B12R1.30 CSCOC(=O)c1ccccc1 62a_100000073877_200000210301 [0,2,0,0,0,0|1,0,1]=4 7135 B12R1.30 CSCOC(=O)c1ccccc1 62a_200000210301_100000073877 [0,2,0,0,0,0|1,0,1]=4 7136 B12R1.30 CSCO[C@H](C)c1ccccc1 34a_100000761318_100011218213 [0,2,0,0,0,0|1,0,1]=4 7137 B12R1.30 C[C@@H](NCC=O)c1ccccc1 2230a_100000751104_200015260668 [0,2,0,0,0,0|2,0,0]=4 7138 B12R1.30 C[C@@H](OCC#N)c1ccccc1 7a_100000761318_100011215382 [0,2,0,0,0,0|1,0,1]=4 7139 B12R1.30 C[C@@H](OCC=O)c1ccccc1 34a_100000761318_200009817547 [0,2,0,0,0,0|1,0,0]=3 7140 B12R1.30 C[C@@H](OCC=O)c1ccccc1 7a_100000761318_200015260668 [0,2,0,0,0,0|1,0,0]=3 7141 B12R1.30 C[C@@H](OCCF)c1ccccc1 34a_100000761318_100011217306 [0,2,0,0,0,0|1,0,1]=4 7142 B12R1.30 C[C@@H](OCCF)c1ccccc1 7a_100000761318_100011217306 [0,2,0,0,0,0|1,0,1]=4 7143 B12R1.30 C[C@@H](OCCO)c1ccccc1 34a_100000761318_100000211926 [0,2,0,0,0,0|1,0,1]=4 7144 B12R1.30 C[C@@H](OCCO)c1ccccc1 7a_100000761318_100000211926 [0,2,0,0,0,0|1,0,1]=4 7145 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_100000073877_200025704644 [0,2,0,0,0,0|1,0,1]=4 7146 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_200025704644_100000073877 [0,2,0,0,0,0|1,0,1]=4 7147 B12R1.34 C=CC(=O)C(C)c1ccccc1 1458a_100000185746_100000230085 [0,2,0,0,0,0|1,0,1]=4 7148 B12R1.34 C=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000185746 [0,2,0,0,0,0|1,0,1]=4 7149 B12R1.34 C=CC(=O)N(C)c1ccccc1 22a_100000210012_100000185746 [0,2,0,0,0,0|1,0,1]=4 7150 B12R1.34 C=CC(C)N(C)c1ccccc1 269982a_100000210012_100011215867 [0,2,0,0,0,0|1,0,0]=3 7151 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [0,2,0,0,0,0|1,0,0]=3 7152 B12R1.107 C=C(C)CN(C)c1ccccc1 2230a_100000210012_100000748629 [0,2,0,0,0,0|1,0,0]=3 7153 B12R1.107 C=C(C)CN(C)c1ccccc1 269982a_100000210012_100000748629 [0,2,0,0,0,0|1,0,0]=3 7154 B12R1.107 C=C(C)CN(C)c1ccccc1 34a_100000210012_100000748629 [0,2,0,0,0,0|1,0,0]=3 7155 B12R1.107 C=C(F)CC(=O)c1ccccc1 1458a_100000185807_100009893438 [0,2,0,0,0,0|1,0,0]=3 7156 B12R1.107 C=C(F)CN(C)c1ccccc1 2230a_100000210012_100009893438 [0,2,0,0,0,0|1,0,0]=3 7157 B12R1.107 C=C(F)CN(C)c1ccccc1 269982a_100000210012_100009893438 [0,2,0,0,0,0|1,0,0]=3 7158 B12R1.107 C=C(F)CN(C)c1ccccc1 34a_100000210012_100009893438 [0,2,0,0,0,0|1,0,0]=3 7159 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,2,0,0,0,0|1,0,1]=4 7160 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,2,0,0,0,0|1,0,1]=4 7161 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,2,0,0,0,0|1,0,1]=4 7162 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,2,0,0,0,0|1,0,1]=4 7163 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,2,0,0,0,0|1,0,1]=4 7164 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [0,2,0,0,0,0|1,0,1]=4 7165 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,2,0,0,0,0|1,0,1]=4 7166 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,2,0,0,0,0|1,0,1]=4 7167 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,2,0,0,0,0|2,0,0]=4 7168 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,2,0,0,0,0|2,0,0]=4 7169 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,2,0,0,0,0|2,0,0]=4 7170 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,2,0,0,0,0|2,0,0]=4 7171 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,2,0,0,0,0|2,0,0]=4 7172 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,2,0,0,0,0|2,0,0]=4 7173 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [0,2,0,0,0,0|1,0,1]=4 7174 B12R1.107 CN(CC(=O)[O-])c1ccccc1 269982a_100000210012_100020667443 [0,2,0,0,0,0|2,0,0]=4 7175 B12R1.107 CN(CC(=O)[O-])c1ccccc1 34a_100000210012_100020667443 [0,2,0,0,0,0|2,0,0]=4 7176 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,2,0,0,0,0|2,0,0]=4 7177 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,2,0,0,0,0|2,0,0]=4 7178 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,2,0,0,0,0|1,0,1]=4 7179 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,2,0,0,0,0|2,0,0]=4 7180 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,2,0,0,0,0|2,0,0]=4 7181 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,2,0,0,0,0|2,0,0]=4 7182 B12R1.308 C=CCC(=O)c1ccccc1Br 1458a_100000188424_100000210623 [0,2,0,0,0,0|1,0,0]=3 7183 B12R1.308 C=CCC(=O)c1ccccc1C 1458a_100000212026_100000210623 [0,2,0,0,0,0|1,0,0]=3 7184 B12R1.308 C=CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210623 [0,2,0,0,0,0|1,0,0]=3 7185 B12R1.308 C=CCC(=O)c1ccccc1F 1458a_100000188656_100000210623 [0,2,0,0,0,0|1,0,0]=3 7186 B12R1.308 C=CCC(=O)c1ccccc1I 1458a_100000187884_100000210623 [0,2,0,0,0,0|1,0,0]=3 7187 B12R1.308 C=CCC(=O)c1ccccc1O 1458a_100015234032_100000210623 [0,2,0,0,0,0|1,0,0]=3 7188 B12R1.308 C=CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210623 [0,2,0,0,0,0|1,0,0]=3 7189 B12R1.308 C=CCN(C)c1ccccc1Br 2230a_100020606079_100000210623 [0,2,0,0,0,0|1,0,0]=3 7190 B12R1.308 C=CCN(C)c1ccccc1Br 269982a_100020606079_100000210623 [0,2,0,0,0,0|1,0,0]=3 7191 B12R1.308 C=CCN(C)c1ccccc1Br 34a_100020606079_100015514636 [0,2,0,0,0,0|1,0,0]=3 7192 B12R1.308 C=CCN(C)c1ccccc1C 2230a_100000219699_100000210623 [0,2,0,0,0,0|1,0,0]=3 7193 B12R1.308 C=CCN(C)c1ccccc1C 269982a_100000219699_100000210623 [0,2,0,0,0,0|1,0,0]=3 7194 B12R1.308 C=CCN(C)c1ccccc1C 34a_100000219699_100015514636 [0,2,0,0,0,0|1,0,0]=3 7195 B12R1.308 C=CCN(C)c1ccccc1Cl 2230a_100000219374_100000210623 [0,2,0,0,0,0|1,0,0]=3 7196 B12R1.308 C=CCN(C)c1ccccc1Cl 269982a_100000219374_100000210623 [0,2,0,0,0,0|1,0,0]=3 7197 B12R1.308 C=CCN(C)c1ccccc1Cl 34a_100000219374_100015514636 [0,2,0,0,0,0|1,0,0]=3 7198 B12R1.308 C=CCN(C)c1ccccc1F 2230a_100000220357_100000210623 [0,2,0,0,0,0|1,0,0]=3 7199 B12R1.308 C=CCN(C)c1ccccc1F 269982a_100000220357_100000210623 [0,2,0,0,0,0|1,0,0]=3 7200 B12R1.308 C=CCN(C)c1ccccc1F 34a_100000220357_100015514636 [0,2,0,0,0,0|1,0,0]=3 7201 B12R1.308 C=CCN(C)c1ccccc1F 38a_100000220357_100000210623 [0,2,0,0,0,0|1,0,0]=3 7202 B12R1.308 C=CCN(C)c1ccccc1O 269982a_100000033821_100000210623 [0,2,0,0,0,0|1,0,0]=3 7203 B12R1.308 CN(CC=O)c1ccccc1Br 2230a_100020606079_200015260668 [0,2,0,0,0,0|2,0,0]=4 7204 B12R1.308 CN(CC=O)c1ccccc1Br 269982a_100020606079_200015260668 [0,2,0,0,0,0|2,0,0]=4 7205 B12R1.308 CN(CC=O)c1ccccc1Br 34a_100020606079_200009817547 [0,2,0,0,0,0|2,0,0]=4 7206 B12R1.308 CN(CC=O)c1ccccc1Cl 2230a_100000219374_200015260668 [0,2,0,0,0,0|2,0,0]=4 7207 B12R1.308 CN(CC=O)c1ccccc1Cl 269982a_100000219374_200015260668 [0,2,0,0,0,0|2,0,0]=4 7208 B12R1.308 CN(CC=O)c1ccccc1Cl 34a_100000219374_200009817547 [0,2,0,0,0,0|2,0,0]=4 7209 B12R1.308 CN(CC=O)c1ccccc1F 2230a_100000220357_200015260668 [0,2,0,0,0,0|2,0,0]=4 7210 B12R1.308 CN(CC=O)c1ccccc1F 269982a_100000220357_200015260668 [0,2,0,0,0,0|2,0,0]=4 7211 B12R1.308 CN(CC=O)c1ccccc1F 34a_100000220357_200009817547 [0,2,0,0,0,0|2,0,0]=4 7212 B12R1.308 CN(CC=O)c1ccccc1O 269982a_100000033821_200015260668 [0,2,0,0,0,0|2,0,0]=4 7213 B12R1.308 Cc1ccccc1N(C)CC=O 2230a_100000219699_200015260668 [0,2,0,0,0,0|2,0,0]=4 7214 B12R1.308 Cc1ccccc1N(C)CC=O 269982a_100000219699_200015260668 [0,2,0,0,0,0|2,0,0]=4 7215 B12R1.308 Cc1ccccc1N(C)CC=O 34a_100000219699_200009817547 [0,2,0,0,0,0|2,0,0]=4 7216 B12R1.25 C#CCOc1cccc(c1Br)Br 34a_100010187966_100000184674 [0,2,0,0,0,0|0,0,2]=4 7217 B12R1.25 C#CCOc1cccc(c1Br)Br 7a_100010187966_100000038162 [0,2,0,0,0,0|0,0,2]=4 7218 B12R1.25 C#CCOc1cccc(c1Br)C 34a_100000686692_100000184674 [0,2,0,0,0,0|0,0,2]=4 7219 B12R1.25 C#CCOc1cccc(c1Br)C 7a_100000686692_100000038162 [0,2,0,0,0,0|0,0,2]=4 7220 B12R1.25 C#CCOc1cccc(c1Br)Cl 34a_100012348804_100000184674 [0,2,0,0,0,0|0,0,2]=4 7221 B12R1.25 C#CCOc1cccc(c1Br)Cl 7a_100012348804_100000038162 [0,2,0,0,0,0|0,0,2]=4 7222 B12R1.25 C#CCOc1cccc(c1Br)F 34a_100009820682_100000184674 [0,2,0,0,0,0|0,0,2]=4 7223 B12R1.25 C#CCOc1cccc(c1Br)F 7a_100009820682_100000038162 [0,2,0,0,0,0|0,0,2]=4 7224 B12R1.25 C#CCOc1cccc(c1Br)I 34a_100010187914_100000184674 [0,2,0,0,0,0|0,0,2]=4 7225 B12R1.25 C#CCOc1cccc(c1Br)I 7a_100010187914_100000038162 [0,2,0,0,0,0|0,0,2]=4 7226 B12R1.25 C#CCOc1cccc(c1Br)N 34a_100012183704_100000184674 [0,2,0,0,0,0|0,0,2]=4 7227 B12R1.25 C#CCOc1cccc(c1Br)N 7a_100012183704_100000038162 [0,2,0,0,0,0|0,0,2]=4 7228 B12R1.25 C#CCOc1cccc(c1C)Br 34a_100012002258_100000184674 [0,2,0,0,0,0|0,0,2]=4 7229 B12R1.25 C#CCOc1cccc(c1C)Br 7a_100012002258_100000038162 [0,2,0,0,0,0|0,0,2]=4 7230 B12R1.25 C#CCOc1cccc(c1C)C 34a_100000185855_100000184674 [0,2,0,0,0,0|0,0,2]=4 7231 B12R1.25 C#CCOc1cccc(c1C)C 7a_100000185855_100000038162 [0,2,0,0,0,0|0,0,2]=4 7232 B12R1.25 C#CCOc1cccc(c1C)Cl 34a_100011265684_100000184674 [0,2,0,0,0,0|0,0,2]=4 7233 B12R1.25 C#CCOc1cccc(c1C)Cl 7a_100011265684_100000038162 [0,2,0,0,0,0|0,0,2]=4 7234 B12R1.25 C#CCOc1cccc(c1C)F 34a_100011217231_100000184674 [0,2,0,0,0,0|0,0,2]=4 7235 B12R1.25 C#CCOc1cccc(c1C)F 7a_100011217231_100000038162 [0,2,0,0,0,0|0,0,2]=4 7236 B12R1.25 C#CCOc1cccc(c1C)N 34a_100011216573_100000184674 [0,2,0,0,0,0|0,0,2]=4 7237 B12R1.25 C#CCOc1cccc(c1C)N 7a_100011216573_100000038162 [0,2,0,0,0,0|0,0,2]=4 7238 B12R1.25 C#CCOc1cccc(c1Cl)Br 34a_100010187913_100000184674 [0,2,0,0,0,0|0,0,2]=4 7239 B12R1.25 C#CCOc1cccc(c1Cl)Br 7a_100010187913_100000038162 [0,2,0,0,0,0|0,0,2]=4 7240 B12R1.25 C#CCOc1cccc(c1Cl)C 34a_100000695629_100000184674 [0,2,0,0,0,0|0,0,2]=4 7241 B12R1.25 C#CCOc1cccc(c1Cl)C 7a_100000695629_100000038162 [0,2,0,0,0,0|0,0,2]=4 7242 B12R1.25 C#CCOc1cccc(c1Cl)Cl 34a_100000211076_100000184674 [0,2,0,0,0,0|0,0,2]=4 7243 B12R1.25 C#CCOc1cccc(c1Cl)Cl 7a_100000211076_100000038162 [0,2,0,0,0,0|0,0,2]=4 7244 B12R1.25 C#CCOc1cccc(c1Cl)F 34a_100000087408_100000184674 [0,2,0,0,0,0|0,0,2]=4 7245 B12R1.25 C#CCOc1cccc(c1Cl)F 7a_100000087408_100000038162 [0,2,0,0,0,0|0,0,2]=4 7246 B12R1.25 C#CCOc1cccc(c1Cl)I 34a_100000049636_100000184674 [0,2,0,0,0,0|0,0,2]=4 7247 B12R1.25 C#CCOc1cccc(c1Cl)I 7a_100000049636_100000038162 [0,2,0,0,0,0|0,0,2]=4 7248 B12R1.25 C#CCOc1cccc(c1Cl)N 34a_100012002038_100000184674 [0,2,0,0,0,0|0,0,2]=4 7249 B12R1.25 C#CCOc1cccc(c1Cl)N 7a_100012002038_100000038162 [0,2,0,0,0,0|0,0,2]=4 7250 B12R1.25 C#CCOc1cccc(c1F)Br 34a_100009817021_100000184674 [0,2,0,0,0,0|0,0,2]=4 7251 B12R1.25 C#CCOc1cccc(c1F)Br 7a_100009817021_100000038162 [0,2,0,0,0,0|0,0,2]=4 7252 B12R1.25 C#CCOc1cccc(c1F)C 34a_100000751311_100000184674 [0,2,0,0,0,0|0,0,2]=4 7253 B12R1.25 C#CCOc1cccc(c1F)C 7a_100000751311_100000038162 [0,2,0,0,0,0|0,0,2]=4 7254 B12R1.25 C#CCOc1cccc(c1F)Cl 34a_100000687438_100000184674 [0,2,0,0,0,0|0,0,2]=4 7255 B12R1.25 C#CCOc1cccc(c1F)Cl 7a_100000687438_100000038162 [0,2,0,0,0,0|0,0,2]=4 7256 B12R1.25 C#CCOc1cccc(c1F)F 34a_100000751161_100000184674 [0,2,0,0,0,0|0,0,2]=4 7257 B12R1.25 C#CCOc1cccc(c1F)F 7a_100000751161_100000038162 [0,2,0,0,0,0|0,0,2]=4 7258 B12R1.25 C#CCOc1cccc(c1I)Br 34a_100010187912_100000184674 [0,2,0,0,0,0|0,0,2]=4 7259 B12R1.25 C#CCOc1cccc(c1I)Br 7a_100010187912_100000038162 [0,2,0,0,0,0|0,0,2]=4 7260 B12R1.25 C#CCOc1cccc(c1I)C 34a_100010083724_100000184674 [0,2,0,0,0,0|0,0,2]=4 7261 B12R1.25 C#CCOc1cccc(c1I)C 7a_100010083724_100000038162 [0,2,0,0,0,0|0,0,2]=4 7262 B12R1.25 C#CCOc1cccc(c1I)Cl 34a_100000050174_100000184674 [0,2,0,0,0,0|0,0,2]=4 7263 B12R1.25 C#CCOc1cccc(c1I)Cl 7a_100000050174_100000038162 [0,2,0,0,0,0|0,0,2]=4 7264 B12R1.25 C#CCOc1cccc(c1I)F 34a_100000690913_100000184674 [0,2,0,0,0,0|0,0,2]=4 7265 B12R1.25 C#CCOc1cccc(c1I)F 7a_100000690913_100000038162 [0,2,0,0,0,0|0,0,2]=4 7266 B12R1.25 C#CCOc1cccc(c1N)Br 34a_100011934926_100000184674 [0,2,0,0,0,0|0,0,2]=4 7267 B12R1.25 C#CCOc1cccc(c1N)Br 7a_100011934926_100000038162 [0,2,0,0,0,0|0,0,2]=4 7268 B12R1.25 C#CCOc1cccc(c1N)C 34a_100000743429_100000184674 [0,2,0,0,0,0|0,0,2]=4 7269 B12R1.25 C#CCOc1cccc(c1N)C 7a_100000743429_100000038162 [0,2,0,0,0,0|0,0,2]=4 7270 B12R1.25 C#CCOc1cccc(c1N)Cl 34a_100012022510_100000184674 [0,2,0,0,0,0|0,0,2]=4 7271 B12R1.25 C#CCOc1cccc(c1N)Cl 7a_100012022510_100000038162 [0,2,0,0,0,0|0,0,2]=4 7272 B12R1.25 C#CCOc1cccc(c1N)F 34a_100020591140_100000184674 [0,2,0,0,0,0|0,0,2]=4 7273 B12R1.25 C#CCOc1cccc(c1N)F 7a_100020591140_100000038162 [0,2,0,0,0,0|0,0,2]=4 7274 B12R1.25 C#CCOc1cccc(c1N)I 34a_200000049512_100000184674 [0,2,0,0,0,0|0,0,2]=4 7275 B12R1.25 C#CCOc1cccc(c1N)I 7a_200000049512_100000038162 [0,2,0,0,0,0|0,0,2]=4 7276 B12R1.25 C#CCOc1cccc(c1N)N 34a_100000033209_100000184674 [0,2,0,0,0,0|0,0,2]=4 7277 B12R1.25 C=CCNc1cccc(c1Br)C 34a_100000684715_100015514636 [0,2,0,0,0,0|1,0,0]=3 7278 B12R1.25 C=CCNc1cccc(c1Br)Cl 34a_100000687072_100015514636 [0,2,0,0,0,0|1,0,0]=3 7279 B12R1.25 C=CCNc1cccc(c1Br)F 34a_100011934729_100015514636 [0,2,0,0,0,0|1,0,0]=3 7280 B12R1.25 C=CCNc1cccc(c1Br)O 34a_100012183704_100015514636 [0,2,0,0,0,0|1,0,0]=3 7281 B12R1.25 C=CCNc1cccc(c1Br)O 7a_100012183704_100015514636 [0,2,0,0,0,0|1,0,0]=3 7282 B12R1.25 C=CCNc1cccc(c1C)Br 34a_100000750434_100015514636 [0,2,0,0,0,0|1,0,0]=3 7283 B12R1.25 C=CCNc1cccc(c1C)C 2230a_100000210026_100000210623 [0,2,0,0,0,0|1,0,0]=3 7284 B12R1.25 C=CCNc1cccc(c1C)C 34a_100000210026_100015514636 [0,2,0,0,0,0|1,0,0]=3 7285 B12R1.25 C=CCNc1cccc(c1C)C 7a_100000210026_100015514636 [0,2,0,0,0,0|1,0,0]=3 7286 B12R1.25 C=CCNc1cccc(c1C)Cl 2230a_100000210441_100000210623 [0,2,0,0,0,0|1,0,0]=3 7287 B12R1.25 C=CCNc1cccc(c1C)Cl 34a_100000210441_100015514636 [0,2,0,0,0,0|1,0,0]=3 7288 B12R1.25 C=CCNc1cccc(c1C)Cl 7a_100000210441_100015514636 [0,2,0,0,0,0|1,0,0]=3 7289 B12R1.25 C=CCNc1cccc(c1C)F 34a_100000745574_100015514636 [0,2,0,0,0,0|1,0,0]=3 7290 B12R1.25 C=CCNc1cccc(c1C)F 7a_100000745574_100015514636 [0,2,0,0,0,0|1,0,0]=3 7291 B12R1.25 C=CCNc1cccc(c1C)I 34a_100000761887_100015514636 [0,2,0,0,0,0|1,0,0]=3 7292 B12R1.25 C=CCNc1cccc(c1C)O 34a_100011216573_100015514636 [0,2,0,0,0,0|1,0,0]=3 7293 B12R1.25 C=CCNc1cccc(c1C)O 7a_100011216573_100015514636 [0,2,0,0,0,0|1,0,0]=3 7294 B12R1.25 C=CCNc1cccc(c1Cl)Br 34a_100000687075_100015514636 [0,2,0,0,0,0|1,0,0]=3 7295 B12R1.25 C=CCNc1cccc(c1Cl)C 34a_100000765562_100015514636 [0,2,0,0,0,0|1,0,0]=3 7296 B12R1.25 C=CCNc1cccc(c1Cl)C 7a_100000765562_100015514636 [0,2,0,0,0,0|1,0,0]=3 7297 B12R1.25 C=CCNc1cccc(c1Cl)Cl 34a_100000185733_100015514636 [0,2,0,0,0,0|1,0,0]=3 7298 B12R1.25 C=CCNc1cccc(c1Cl)F 34a_100000692321_100015514636 [0,2,0,0,0,0|1,0,0]=3 7299 B12R1.25 C=CCNc1cccc(c1Cl)O 34a_100012002038_100015514636 [0,2,0,0,0,0|1,0,0]=3 7300 B12R1.25 C=CCNc1cccc(c1Cl)O 7a_100012002038_100015514636 [0,2,0,0,0,0|1,0,0]=3 7301 B12R1.25 C=CCNc1cccc(c1F)Br 2230a_100011935091_100000210623 [0,2,0,0,0,0|1,0,0]=3 7302 B12R1.25 C=CCNc1cccc(c1F)Br 34a_100011935091_100015514636 [0,2,0,0,0,0|1,0,0]=3 7303 B12R1.25 C=CCNc1cccc(c1F)C 2230a_100000697159_100000210623 [0,2,0,0,0,0|1,0,0]=3 7304 B12R1.25 C=CCNc1cccc(c1F)C 34a_100000697159_100015514636 [0,2,0,0,0,0|1,0,0]=3 7305 B12R1.25 C=CCNc1cccc(c1F)C 7a_100000697159_100015514636 [0,2,0,0,0,0|1,0,0]=3 7306 B12R1.25 C=CCNc1cccc(c1F)Cl 2230a_100000199060_100000210623 [0,2,0,0,0,0|1,0,0]=3 7307 B12R1.25 C=CCNc1cccc(c1F)Cl 34a_100000199060_100015514636 [0,2,0,0,0,0|1,0,0]=3 7308 B12R1.25 C=CCNc1cccc(c1F)F 34a_100000743855_100015514636 [0,2,0,0,0,0|1,0,0]=3 7309 B12R1.25 C=CCNc1cccc(c1I)Br 34a_100020590159_100015514636 [0,2,0,0,0,0|1,0,0]=3 7310 B12R1.25 C=CCNc1cccc(c1I)C 34a_100000761888_100015514636 [0,2,0,0,0,0|1,0,0]=3 7311 B12R1.25 C=CCNc1cccc(c1I)Cl 34a_100000049713_100015514636 [0,2,0,0,0,0|1,0,0]=3 7312 B12R1.25 C=CCNc1cccc(c1I)F 34a_100000690935_100015514636 [0,2,0,0,0,0|1,0,0]=3 7313 B12R1.25 C=CCNc1cccc(c1O)Br 34a_100011934915_100015514636 [0,2,0,0,0,0|1,0,0]=3 7314 B12R1.25 C=CCNc1cccc(c1O)C 34a_100000756359_100015514636 [0,2,0,0,0,0|1,0,0]=3 7315 B12R1.25 C=CCNc1cccc(c1O)Cl 34a_100000754742_100015514636 [0,2,0,0,0,0|1,0,0]=3 7316 B12R1.25 C=CCNc1cccc(c1O)F 34a_100011934987_100015514636 [0,2,0,0,0,0|1,0,0]=3 7317 B12R1.25 C=CCNc1ccnc(c1Br)F 27a_100020586998_100010006599 [0,2,0,0,0,0|2,0,0]=4 7318 B12R1.25 C=CCNc1ccnc(c1C)F 27a_100020586998_100010006593 [0,2,0,0,0,0|2,0,0]=4 7319 B12R1.25 C=CCNc1ccnc(c1Cl)C 27a_100020586998_100000698670 [0,2,0,0,0,0|2,0,0]=4 7320 B12R1.25 C=CCNc1ccnc(c1Cl)F 27a_100020586998_100010067886 [0,2,0,0,0,0|2,0,0]=4 7321 B12R1.25 C=CCNc1ccnc(c1F)C 27a_100020586998_100009849794 [0,2,0,0,0,0|2,0,0]=4 7322 B12R1.25 C=CCNc1ccnc(c1F)F 27a_100020586998_100010214882 [0,2,0,0,0,0|2,0,0]=4 7323 B12R1.25 C=CCNc1nccc(c1C)F 27a_100020586998_100009846374 [0,2,0,0,0,0|2,0,0]=4 7324 B12R1.25 C=CCOc1cccc(c1Br)Br 34a_100010187966_100015514636 [0,2,0,0,0,0|0,0,0]=2 7325 B12R1.25 C=CCOc1cccc(c1Br)Br 7a_100010187966_100015514636 [0,2,0,0,0,0|0,0,0]=2 7326 B12R1.25 C=CCOc1cccc(c1Br)C 34a_100000686692_100015514636 [0,2,0,0,0,0|0,0,0]=2 7327 B12R1.25 C=CCOc1cccc(c1Br)C 7a_100000686692_100015514636 [0,2,0,0,0,0|0,0,0]=2 7328 B12R1.25 C=CCOc1cccc(c1Br)Cl 34a_100012348804_100015514636 [0,2,0,0,0,0|0,0,0]=2 7329 B12R1.25 C=CCOc1cccc(c1Br)Cl 7a_100012348804_100015514636 [0,2,0,0,0,0|0,0,0]=2 7330 B12R1.25 C=CCOc1cccc(c1Br)F 34a_100009820682_100015514636 [0,2,0,0,0,0|0,0,0]=2 7331 B12R1.25 C=CCOc1cccc(c1Br)F 7a_100009820682_100015514636 [0,2,0,0,0,0|0,0,0]=2 7332 B12R1.25 C=CCOc1cccc(c1Br)I 34a_100010187914_100015514636 [0,2,0,0,0,0|0,0,0]=2 7333 B12R1.25 C=CCOc1cccc(c1Br)I 7a_100010187914_100015514636 [0,2,0,0,0,0|0,0,0]=2 7334 B12R1.25 C=CCOc1cccc(c1Br)N 34a_100012183704_100015514636 [0,2,0,0,0,0|0,0,0]=2 7335 B12R1.25 C=CCOc1cccc(c1Br)N 7a_100012183704_100015514636 [0,2,0,0,0,0|0,0,0]=2 7336 B12R1.25 C=CCOc1cccc(c1C)Br 34a_100012002258_100015514636 [0,2,0,0,0,0|0,0,0]=2 7337 B12R1.25 C=CCOc1cccc(c1C)Br 7a_100012002258_100015514636 [0,2,0,0,0,0|0,0,0]=2 7338 B12R1.25 C=CCOc1cccc(c1C)C 34a_100000185855_100015514636 [0,2,0,0,0,0|0,0,0]=2 7339 B12R1.25 C=CCOc1cccc(c1C)C 7a_100000185855_100015514636 [0,2,0,0,0,0|0,0,0]=2 7340 B12R1.25 C=CCOc1cccc(c1C)Cl 34a_100011265684_100015514636 [0,2,0,0,0,0|0,0,0]=2 7341 B12R1.25 C=CCOc1cccc(c1C)Cl 7a_100011265684_100015514636 [0,2,0,0,0,0|0,0,0]=2 7342 B12R1.25 C=CCOc1cccc(c1C)F 34a_100011217231_100015514636 [0,2,0,0,0,0|0,0,0]=2 7343 B12R1.25 C=CCOc1cccc(c1C)F 7a_100011217231_100015514636 [0,2,0,0,0,0|0,0,0]=2 7344 B12R1.25 C=CCOc1cccc(c1C)N 34a_100011216573_100015514636 [0,2,0,0,0,0|0,0,0]=2 7345 B12R1.25 C=CCOc1cccc(c1C)N 7a_100011216573_100015514636 [0,2,0,0,0,0|0,0,0]=2 7346 B12R1.25 C=CCOc1cccc(c1Cl)Br 34a_100010187913_100015514636 [0,2,0,0,0,0|0,0,0]=2 7347 B12R1.25 C=CCOc1cccc(c1Cl)Br 7a_100010187913_100015514636 [0,2,0,0,0,0|0,0,0]=2 7348 B12R1.25 C=CCOc1cccc(c1Cl)C 34a_100000695629_100015514636 [0,2,0,0,0,0|0,0,0]=2 7349 B12R1.25 C=CCOc1cccc(c1Cl)C 7a_100000695629_100015514636 [0,2,0,0,0,0|0,0,0]=2 7350 B12R1.25 C=CCOc1cccc(c1Cl)Cl 34a_100000211076_100015514636 [0,2,0,0,0,0|0,0,0]=2 7351 B12R1.25 C=CCOc1cccc(c1Cl)Cl 7a_100000211076_100015514636 [0,2,0,0,0,0|0,0,0]=2 7352 B12R1.25 C=CCOc1cccc(c1Cl)F 34a_100000087408_100015514636 [0,2,0,0,0,0|0,0,0]=2 7353 B12R1.25 C=CCOc1cccc(c1Cl)F 7a_100000087408_100015514636 [0,2,0,0,0,0|0,0,0]=2 7354 B12R1.25 C=CCOc1cccc(c1Cl)I 34a_100000049636_100015514636 [0,2,0,0,0,0|0,0,0]=2 7355 B12R1.25 C=CCOc1cccc(c1Cl)I 7a_100000049636_100015514636 [0,2,0,0,0,0|0,0,0]=2 7356 B12R1.25 C=CCOc1cccc(c1Cl)N 34a_100012002038_100015514636 [0,2,0,0,0,0|0,0,0]=2 7357 B12R1.25 C=CCOc1cccc(c1Cl)N 7a_100012002038_100015514636 [0,2,0,0,0,0|0,0,0]=2 7358 B12R1.25 C=CCOc1cccc(c1F)Br 34a_100009817021_100015514636 [0,2,0,0,0,0|0,0,0]=2 7359 B12R1.25 C=CCOc1cccc(c1F)Br 7a_100009817021_100015514636 [0,2,0,0,0,0|0,0,0]=2 7360 B12R1.25 C=CCOc1cccc(c1F)C 34a_100000751311_100015514636 [0,2,0,0,0,0|0,0,0]=2 7361 B12R1.25 C=CCOc1cccc(c1F)C 7a_100000751311_100015514636 [0,2,0,0,0,0|0,0,0]=2 7362 B12R1.25 C=CCOc1cccc(c1F)Cl 34a_100000687438_100015514636 [0,2,0,0,0,0|0,0,0]=2 7363 B12R1.25 C=CCOc1cccc(c1F)Cl 7a_100000687438_100015514636 [0,2,0,0,0,0|0,0,0]=2 7364 B12R1.25 C=CCOc1cccc(c1F)F 34a_100000751161_100015514636 [0,2,0,0,0,0|0,0,0]=2 7365 B12R1.25 C=CCOc1cccc(c1F)F 7a_100000751161_100015514636 [0,2,0,0,0,0|0,0,0]=2 7366 B12R1.25 C=CCOc1cccc(c1I)Br 34a_100010187912_100015514636 [0,2,0,0,0,0|0,0,0]=2 7367 B12R1.25 C=CCOc1cccc(c1I)Br 7a_100010187912_100015514636 [0,2,0,0,0,0|0,0,0]=2 7368 B12R1.25 C=CCOc1cccc(c1I)C 34a_100010083724_100015514636 [0,2,0,0,0,0|0,0,0]=2 7369 B12R1.25 C=CCOc1cccc(c1I)C 7a_100010083724_100015514636 [0,2,0,0,0,0|0,0,0]=2 7370 B12R1.25 C=CCOc1cccc(c1I)Cl 34a_100000050174_100015514636 [0,2,0,0,0,0|0,0,0]=2 7371 B12R1.25 C=CCOc1cccc(c1I)Cl 7a_100000050174_100015514636 [0,2,0,0,0,0|0,0,0]=2 7372 B12R1.25 C=CCOc1cccc(c1I)F 34a_100000690913_100015514636 [0,2,0,0,0,0|0,0,0]=2 7373 B12R1.25 C=CCOc1cccc(c1I)F 7a_100000690913_100015514636 [0,2,0,0,0,0|0,0,0]=2 7374 B12R1.25 C=CCOc1cccc(c1N)Br 34a_100011934926_100015514636 [0,2,0,0,0,0|0,0,0]=2 7375 B12R1.25 C=CCOc1cccc(c1N)Br 7a_100011934926_100015514636 [0,2,0,0,0,0|0,0,0]=2 7376 B12R1.25 C=CCOc1cccc(c1N)C 34a_100000743429_100015514636 [0,2,0,0,0,0|0,0,0]=2 7377 B12R1.25 C=CCOc1cccc(c1N)C 7a_100000743429_100015514636 [0,2,0,0,0,0|0,0,0]=2 7378 B12R1.25 C=CCOc1cccc(c1N)Cl 34a_100012022510_100015514636 [0,2,0,0,0,0|0,0,0]=2 7379 B12R1.25 C=CCOc1cccc(c1N)Cl 7a_100012022510_100015514636 [0,2,0,0,0,0|0,0,0]=2 7380 B12R1.25 C=CCOc1cccc(c1N)F 34a_100020591140_100015514636 [0,2,0,0,0,0|0,0,0]=2 7381 B12R1.25 C=CCOc1cccc(c1N)F 7a_100020591140_100015514636 [0,2,0,0,0,0|0,0,0]=2 7382 B12R1.25 C=CCOc1cccc(c1N)I 34a_200000049512_100015514636 [0,2,0,0,0,0|0,0,0]=2 7383 B12R1.25 C=CCOc1cccc(c1N)I 7a_200000049512_100015514636 [0,2,0,0,0,0|0,0,0]=2 7384 B12R1.25 C=CCOc1cccc(c1N)N 34a_100000033209_100015514636 [0,2,0,0,0,0|0,0,0]=2 7385 B12R1.25 C=CCOc1cccn(c1=O)C 34a_100000117616_100015514636 [0,2,0,0,0,0|1,0,0]=3 7386 B12R1.25 C=CCOc1cccn(c1=O)C 7a_100000117616_100015514636 [0,2,0,0,0,0|1,0,0]=3 7387 B12R1.25 C=CCOc1ccnc(c1Br)Cl 34a_100010136240_100015514636 [0,2,0,0,0,0|1,0,0]=3 7388 B12R1.25 C=CCOc1ccnc(c1Cl)Cl 34a_100009860235_100015514636 [0,2,0,0,0,0|1,0,0]=3 7389 B12R1.25 C=CCOc1ccnc(c1F)Br 34a_100009876375_100015514636 [0,2,0,0,0,0|1,0,0]=3 7390 B12R1.25 C=CCOc1ccnc(c1F)Cl 34a_100009856406_100015514636 [0,2,0,0,0,0|1,0,0]=3 7391 B12R1.25 C=CCOc1ccnc(c1N)Cl 34a_100000128729_100015514636 [0,2,0,0,0,0|1,0,0]=3 7392 B12R1.25 C=CCOc1nccc(c1Br)C 34a_100012000493_100015514636 [0,2,0,0,0,0|1,0,0]=3 7393 B12R1.25 C=CCOc1nccc(c1C)Br 34a_100009858498_100015514636 [0,2,0,0,0,0|1,0,0]=3 7394 B12R1.25 C=CCOc1nccc(c1Cl)N 34a_200000093555_100015514636 [0,2,0,0,0,0|1,0,0]=3 7395 B12R1.25 C=CCOc1ncnc(c1C)C 34a_100000697798_100015514636 [0,2,0,0,0,0|2,0,0]=4 7396 B12R1.25 C=CCOc1ncnc(c1C)Cl 34a_100011912821_100015514636 [0,2,0,0,0,0|2,0,0]=4 7397 B12R1.25 C=CCSc1cccc(=O)n1C 62a_100000210623_100000726605 [0,2,0,0,0,0|1,1,0]=4 7398 B12R1.25 C=CCSc1cccc(=O)n1C 62a_100000726605_100000210623 [0,2,0,0,0,0|1,1,0]=4 7399 B12R1.25 C=CCSc1cccc(c1Br)Br 62a_100000210623_100010175083 [0,2,0,0,0,0|0,1,0]=3 7400 B12R1.25 C=CCSc1cccc(c1Br)Br 62a_100010175083_100000210623 [0,2,0,0,0,0|0,1,0]=3 7401 B12R1.25 C=CCSc1cccc(c1Br)C 62a_100000210623_100012362457 [0,2,0,0,0,0|0,1,0]=3 7402 B12R1.25 C=CCSc1cccc(c1Br)C 62a_100012362457_100000210623 [0,2,0,0,0,0|0,1,0]=3 7403 B12R1.25 C=CCSc1cccc(c1Br)Cl 62a_100000210623_100014021842 [0,2,0,0,0,0|0,1,0]=3 7404 B12R1.25 C=CCSc1cccc(c1Br)Cl 62a_100014021842_100000210623 [0,2,0,0,0,0|0,1,0]=3 7405 B12R1.25 C=CCSc1cccc(c1Br)F 62a_100000210623_100010202630 [0,2,0,0,0,0|0,1,0]=3 7406 B12R1.25 C=CCSc1cccc(c1Br)F 62a_100010202630_100000210623 [0,2,0,0,0,0|0,1,0]=3 7407 B12R1.25 C=CCSc1cccc(c1Br)O 62a_100000210623_100010187914 [0,2,0,0,0,0|0,1,0]=3 7408 B12R1.25 C=CCSc1cccc(c1Br)O 62a_100010187914_100000210623 [0,2,0,0,0,0|0,1,0]=3 7409 B12R1.25 C=CCSc1cccc(c1C)Br 62a_100000210623_100012353703 [0,2,0,0,0,0|0,1,0]=3 7410 B12R1.25 C=CCSc1cccc(c1C)Br 62a_100012353703_100000210623 [0,2,0,0,0,0|0,1,0]=3 7411 B12R1.25 C=CCSc1cccc(c1C)C 62a_100000210623_100011214922 [0,2,0,0,0,0|0,1,0]=3 7412 B12R1.25 C=CCSc1cccc(c1C)C 62a_100011214922_100000210623 [0,2,0,0,0,0|0,1,0]=3 7413 B12R1.25 C=CCSc1cccc(c1C)Cl 62a_100000210623_100000726075 [0,2,0,0,0,0|0,1,0]=3 7414 B12R1.25 C=CCSc1cccc(c1C)Cl 62a_100000726075_100000210623 [0,2,0,0,0,0|0,1,0]=3 7415 B12R1.25 C=CCSc1cccc(c1C)F 62a_100000210623_100011216893 [0,2,0,0,0,0|0,1,0]=3 7416 B12R1.25 C=CCSc1cccc(c1C)F 62a_100011216893_100000210623 [0,2,0,0,0,0|0,1,0]=3 7417 B12R1.25 C=CCSc1cccc(c1C)N 62a_100000210623_100000761887 [0,2,0,0,0,0|0,1,0]=3 7418 B12R1.25 C=CCSc1cccc(c1C)N 62a_100000761887_100000210623 [0,2,0,0,0,0|0,1,0]=3 7419 B12R1.25 C=CCSc1cccc(c1C)O 62a_100000210623_100012002258 [0,2,0,0,0,0|0,1,0]=3 7420 B12R1.25 C=CCSc1cccc(c1C)O 62a_100012002258_100000210623 [0,2,0,0,0,0|0,1,0]=3 7421 B12R1.25 C=CCSc1cccc(c1Cl)Br 62a_100000210623_100010142854 [0,2,0,0,0,0|0,1,0]=3 7422 B12R1.25 C=CCSc1cccc(c1Cl)Br 62a_100010142854_100000210623 [0,2,0,0,0,0|0,1,0]=3 7423 B12R1.25 C=CCSc1cccc(c1Cl)C 62a_100000210623_200012352035 [0,2,0,0,0,0|0,1,0]=3 7424 B12R1.25 C=CCSc1cccc(c1Cl)C 62a_200012352035_100000210623 [0,2,0,0,0,0|0,1,0]=3 7425 B12R1.25 C=CCSc1cccc(c1Cl)Cl 62a_100000210623_100011215384 [0,2,0,0,0,0|0,1,0]=3 7426 B12R1.25 C=CCSc1cccc(c1Cl)Cl 62a_100011215384_100000210623 [0,2,0,0,0,0|0,1,0]=3 7427 B12R1.25 C=CCSc1cccc(c1Cl)F 62a_100000210623_200010234923 [0,2,0,0,0,0|0,1,0]=3 7428 B12R1.25 C=CCSc1cccc(c1Cl)F 62a_200010234923_100000210623 [0,2,0,0,0,0|0,1,0]=3 7429 B12R1.25 C=CCSc1cccc(c1Cl)O 62a_100000210623_100000049636 [0,2,0,0,0,0|0,1,0]=3 7430 B12R1.25 C=CCSc1cccc(c1F)Br 62a_100000210623_100000702267 [0,2,0,0,0,0|0,1,0]=3 7431 B12R1.25 C=CCSc1cccc(c1F)Br 62a_100000702267_100000210623 [0,2,0,0,0,0|0,1,0]=3 7432 B12R1.25 C=CCSc1cccc(c1F)C 62a_100000210623_100000717567 [0,2,0,0,0,0|0,1,0]=3 7433 B12R1.25 C=CCSc1cccc(c1F)C 62a_100000717567_100000210623 [0,2,0,0,0,0|0,1,0]=3 7434 B12R1.25 C=CCSc1cccc(c1F)Cl 62a_100000210623_100011217346 [0,2,0,0,0,0|0,1,0]=3 7435 B12R1.25 C=CCSc1cccc(c1F)Cl 62a_100011217346_100000210623 [0,2,0,0,0,0|0,1,0]=3 7436 B12R1.25 C=CCSc1cccc(c1F)F 62a_100000210623_100000694657 [0,2,0,0,0,0|0,1,0]=3 7437 B12R1.25 C=CCSc1cccc(c1F)F 62a_100000694657_100000210623 [0,2,0,0,0,0|0,1,0]=3 7438 B12R1.25 C=CCSc1cccc(c1F)N 62a_100000210623_100011935091 [0,2,0,0,0,0|0,1,0]=3 7439 B12R1.25 C=CCSc1cccc(c1F)N 62a_100011935091_100000210623 [0,2,0,0,0,0|0,1,0]=3 7440 B12R1.25 C=CCSc1cccc(c1F)O 62a_100000210623_100009817021 [0,2,0,0,0,0|0,1,0]=3 7441 B12R1.25 C=CCSc1cccc(c1F)O 62a_100009817021_100000210623 [0,2,0,0,0,0|0,1,0]=3 7442 B12R1.25 C=CCSc1cccc(c1N)Br 62a_100000210623_100010146558 [0,2,0,0,0,0|0,1,0]=3 7443 B12R1.25 C=CCSc1cccc(c1N)Br 62a_100010146558_100000210623 [0,2,0,0,0,0|0,1,0]=3 7444 B12R1.25 C=CCSc1cccc(c1N)C 62a_100000210623_100011834072 [0,2,0,0,0,0|0,1,0]=3 7445 B12R1.25 C=CCSc1cccc(c1N)C 62a_100011834072_100000210623 [0,2,0,0,0,0|0,1,0]=3 7446 B12R1.25 C=CCSc1cccc(c1N)Cl 62a_100000210623_100010190421 [0,2,0,0,0,0|0,1,0]=3 7447 B12R1.25 C=CCSc1cccc(c1N)Cl 62a_100010190421_100000210623 [0,2,0,0,0,0|0,1,0]=3 7448 B12R1.25 C=CCSc1cccc(c1N)F 62a_100000042321_100000210623 [0,2,0,0,0,0|0,1,0]=3 7449 B12R1.25 C=CCSc1cccc(c1N)F 62a_100000210623_100000042321 [0,2,0,0,0,0|0,1,0]=3 7450 B12R1.25 C=CCSc1cccc(c1N)N 62a_100015191791_100000210623 [0,2,0,0,0,0|0,1,0]=3 7451 B12R1.25 C=CCSc1cccc(c1N)O 62a_100000210623_100011934926 [0,2,0,0,0,0|0,1,0]=3 7452 B12R1.25 C=CCSc1cccc(c1O)Br 62a_100000210623_100010084509 [0,2,0,0,0,0|0,1,0]=3 7453 B12R1.25 C=CCSc1cccc(c1O)Br 62a_100010084509_100000210623 [0,2,0,0,0,0|0,1,0]=3 7454 B12R1.25 C=CCSc1cccc(c1O)C 62a_100000210623_100009817157 [0,2,0,0,0,0|0,1,0]=3 7455 B12R1.25 C=CCSc1cccc(c1O)C 62a_100009817157_100000210623 [0,2,0,0,0,0|0,1,0]=3 7456 B12R1.25 C=CCSc1cccc(c1O)Cl 62a_100000210623_100010202889 [0,2,0,0,0,0|0,1,0]=3 7457 B12R1.25 C=CCSc1cccc(c1O)Cl 62a_100010202889_100000210623 [0,2,0,0,0,0|0,1,0]=3 7458 B12R1.25 C=CCSc1cccc(c1O)F 62a_100000210623_100009813666 [0,2,0,0,0,0|0,1,0]=3 7459 B12R1.25 C=CCSc1cccc(c1O)F 62a_100009813666_100000210623 [0,2,0,0,0,0|0,1,0]=3 7460 B12R1.25 C=CCSc1cccc(c1O)N 62a_100000210623_100010084371 [0,2,0,0,0,0|0,1,0]=3 7461 B12R1.25 C=CCSc1cccc(c1O)N 62a_100011934915_100000210623 [0,2,0,0,0,0|0,1,0]=3 7462 B12R1.25 C=CCSc1cccc(c1O)O 62a_100000210623_100009815950 [0,2,0,0,0,0|0,1,0]=3 7463 B12R1.25 C=CCSc1cccn(c1=O)C 62a_100000210623_100000687173 [0,2,0,0,0,0|1,1,0]=4 7464 B12R1.25 C=CCSc1cccn(c1=O)C 62a_100000687173_100000210623 [0,2,0,0,0,0|1,1,0]=4 7465 B12R1.25 C=CCSc1ccnc(c1Br)F 62a_100000210623_100010006599 [0,2,0,0,0,0|1,1,0]=4 7466 B12R1.25 C=CCSc1ccnc(c1Br)F 62a_100010006599_100000210623 [0,2,0,0,0,0|1,1,0]=4 7467 B12R1.25 C=CCSc1ccnc(c1C)C 62a_100000210623_100009846815 [0,2,0,0,0,0|1,1,0]=4 7468 B12R1.25 C=CCSc1ccnc(c1C)C 62a_100009846815_100000210623 [0,2,0,0,0,0|1,1,0]=4 7469 B12R1.25 C=CCSc1ccnc(c1C)Cl 62a_100000047055_100000210623 [0,2,0,0,0,0|1,1,0]=4 7470 B12R1.25 C=CCSc1ccnc(c1C)Cl 62a_100000210623_100000047055 [0,2,0,0,0,0|1,1,0]=4 7471 B12R1.25 C=CCSc1ccnc(c1C)F 62a_100000210623_100010006593 [0,2,0,0,0,0|1,1,0]=4 7472 B12R1.25 C=CCSc1ccnc(c1C)F 62a_100010006593_100000210623 [0,2,0,0,0,0|1,1,0]=4 7473 B12R1.25 C=CCSc1ccnc(c1C)N 62a_100000210623_100009865460 [0,2,0,0,0,0|1,1,0]=4 7474 B12R1.25 C=CCSc1ccnc(c1C)N 62a_100009865460_100000210623 [0,2,0,0,0,0|1,1,0]=4 7475 B12R1.25 C=CCSc1ccnc(c1C)O 62a_100000210623_100009858498 [0,2,0,0,0,0|1,1,0]=4 7476 B12R1.25 C=CCSc1ccnc(c1C)O 62a_100009858498_100000210623 [0,2,0,0,0,0|1,1,0]=4 7477 B12R1.25 C=CCSc1ccnc(c1Cl)C 62a_100000210623_100000698670 [0,2,0,0,0,0|1,1,0]=4 7478 B12R1.25 C=CCSc1ccnc(c1Cl)C 62a_100000698670_100000210623 [0,2,0,0,0,0|1,1,0]=4 7479 B12R1.25 C=CCSc1ccnc(c1Cl)Cl 62a_100000210623_100010246212 [0,2,0,0,0,0|1,1,0]=4 7480 B12R1.25 C=CCSc1ccnc(c1Cl)Cl 62a_100010246212_100000210623 [0,2,0,0,0,0|1,1,0]=4 7481 B12R1.25 C=CCSc1ccnc(c1Cl)F 62a_100000210623_100010067886 [0,2,0,0,0,0|1,1,0]=4 7482 B12R1.25 C=CCSc1ccnc(c1Cl)F 62a_100010067886_100000210623 [0,2,0,0,0,0|1,1,0]=4 7483 B12R1.25 C=CCSc1ccnc(c1Cl)N 62a_100000210623_100010735111 [0,2,0,0,0,0|1,1,0]=4 7484 B12R1.25 C=CCSc1ccnc(c1Cl)N 62a_100010735111_100000210623 [0,2,0,0,0,0|1,1,0]=4 7485 B12R1.25 C=CCSc1ccnc(c1F)Br 62a_100000210623_200015269031 [0,2,0,0,0,0|1,1,0]=4 7486 B12R1.25 C=CCSc1ccnc(c1F)Br 62a_200015269031_100000210623 [0,2,0,0,0,0|1,1,0]=4 7487 B12R1.25 C=CCSc1ccnc(c1F)C 62a_100000210623_100009849794 [0,2,0,0,0,0|1,1,0]=4 7488 B12R1.25 C=CCSc1ccnc(c1F)C 62a_100009849794_100000210623 [0,2,0,0,0,0|1,1,0]=4 7489 B12R1.25 C=CCSc1ccnc(c1F)Cl 62a_100000210623_100010150473 [0,2,0,0,0,0|1,1,0]=4 7490 B12R1.25 C=CCSc1ccnc(c1F)Cl 62a_100010150473_100000210623 [0,2,0,0,0,0|1,1,0]=4 7491 B12R1.25 C=CCSc1ccnc(c1F)F 62a_100000210623_100010214882 [0,2,0,0,0,0|1,1,0]=4 7492 B12R1.25 C=CCSc1ccnc(c1F)F 62a_100010214882_100000210623 [0,2,0,0,0,0|1,1,0]=4 7493 B12R1.25 C=CCSc1ccnc(c1F)N 62a_100000210623_100010077785 [0,2,0,0,0,0|1,1,0]=4 7494 B12R1.25 C=CCSc1ccnc(c1F)N 62a_100010077785_100000210623 [0,2,0,0,0,0|1,1,0]=4 7495 B12R1.25 C=CCSc1ccnc(c1N)C 62a_100000210623_100009885578 [0,2,0,0,0,0|1,1,0]=4 7496 B12R1.25 C=CCSc1ccnc(c1N)C 62a_100009885578_100000210623 [0,2,0,0,0,0|1,1,0]=4 7497 B12R1.25 C=CCSc1ccnc(c1N)N 62a_100000124095_100000210623 [0,2,0,0,0,0|1,1,0]=4 7498 B12R1.25 C=CCSc1ccnc(c1O)Cl 62a_100000210623_100010067911 [0,2,0,0,0,0|1,1,0]=4 7499 B12R1.25 C=CCSc1cncc(c1C)Br 62a_100000210623_100010109657 [0,2,0,0,0,0|1,1,0]=4 7500 B12R1.25 C=CCSc1cncc(c1C)Br 62a_100010109657_100000210623 [0,2,0,0,0,0|1,1,0]=4 7501 B12R1.25 C=CCSc1cncc(c1C)C 62a_100000210623_100009864703 [0,2,0,0,0,0|1,1,0]=4 7502 B12R1.25 C=CCSc1cncc(c1C)C 62a_100009864703_100000210623 [0,2,0,0,0,0|1,1,0]=4 7503 B12R1.25 C=CCSc1cncc(c1C)F 62a_100000210623_100009881546 [0,2,0,0,0,0|1,1,0]=4 7504 B12R1.25 C=CCSc1cncc(c1C)F 62a_100009881546_100000210623 [0,2,0,0,0,0|1,1,0]=4 7505 B12R1.25 C=CCSc1cncc(c1C)N 62a_100000210623_100011998293 [0,2,0,0,0,0|1,1,0]=4 7506 B12R1.25 C=CCSc1cncc(c1C)N 62a_100011998293_100000210623 [0,2,0,0,0,0|1,1,0]=4 7507 B12R1.25 C=CCSc1cncc(c1N)Br 62a_100000210623_100011290786 [0,2,0,0,0,0|1,1,0]=4 7508 B12R1.25 C=CCSc1cncc(c1N)Br 62a_100011290786_100000210623 [0,2,0,0,0,0|1,1,0]=4 7509 B12R1.25 C=CCSc1cncc(c1N)C 62a_100000210623_100009818025 [0,2,0,0,0,0|1,1,0]=4 7510 B12R1.25 C=CCSc1cncc(c1N)C 62a_100009818025_100000210623 [0,2,0,0,0,0|1,1,0]=4 7511 B12R1.25 C=CCSc1cncc(c1N)Cl 62a_100000210623_100000684942 [0,2,0,0,0,0|1,1,0]=4 7512 B12R1.25 C=CCSc1cncc(c1N)Cl 62a_100000684942_100000210623 [0,2,0,0,0,0|1,1,0]=4 7513 B12R1.25 C=CCSc1cncc(c1N)F 62a_100000210623_100009880649 [0,2,0,0,0,0|1,1,0]=4 7514 B12R1.25 C=CCSc1cncc(c1N)F 62a_100009880649_100000210623 [0,2,0,0,0,0|1,1,0]=4 7515 B12R1.25 C=CCSc1cncc(c1N)N 62a_100000210623_100000694774 [0,2,0,0,0,0|1,1,0]=4 7516 B12R1.25 C=CCSc1cncc(c1N)N 62a_100000694774_100000210623 [0,2,0,0,0,0|1,1,0]=4 7517 B12R1.25 C=CCSc1cncc(c1O)N 62a_100000210623_100000694263 [0,2,0,0,0,0|1,1,0]=4 7518 B12R1.25 C=CCSc1cncc(c1O)N 62a_100000694263_100000210623 [0,2,0,0,0,0|1,1,0]=4 7519 B12R1.25 C=CCSc1nccc(c1C)C 62a_100000210623_100009847204 [0,2,0,0,0,0|1,1,0]=4 7520 B12R1.25 C=CCSc1nccc(c1C)C 62a_100009847204_100000210623 [0,2,0,0,0,0|1,1,0]=4 7521 B12R1.25 C=CCSc1nccc(c1C)F 62a_100000210623_100009846374 [0,2,0,0,0,0|1,1,0]=4 7522 B12R1.25 C=CCSc1nccc(c1C)F 62a_100009846374_100000210623 [0,2,0,0,0,0|1,1,0]=4 7523 B12R1.25 C=CCSc1nccc(c1C)N 62a_100000210623_100000690622 [0,2,0,0,0,0|1,1,0]=4 7524 B12R1.25 C=CCSc1nccc(c1C)N 62a_100000690622_100000210623 [0,2,0,0,0,0|1,1,0]=4 7525 B12R1.25 C=CCSc1nccc(c1F)C 62a_100000210623_100009817629 [0,2,0,0,0,0|1,1,0]=4 7526 B12R1.25 C=CCSc1nccc(c1F)C 62a_100009817629_100000210623 [0,2,0,0,0,0|1,1,0]=4 7527 B12R1.25 C=CCSc1nccc(c1F)N 62a_100000210623_100015205195 [0,2,0,0,0,0|1,1,0]=4 7528 B12R1.25 C=CCSc1nccc(c1F)N 62a_100015205195_100000210623 [0,2,0,0,0,0|1,1,0]=4 7529 B12R1.25 C=CCSc1nccc(c1F)O 62a_100000210623_100009876375 [0,2,0,0,0,0|1,1,0]=4 7530 B12R1.25 C=CCSc1nccc(c1F)O 62a_100009876375_100000210623 [0,2,0,0,0,0|1,1,0]=4 7531 B12R1.25 C=CCSc1nccc(c1N)C 62a_100000210623_100000763560 [0,2,0,0,0,0|1,1,0]=4 7532 B12R1.25 C=CCSc1nccc(c1N)C 62a_100000763560_100000210623 [0,2,0,0,0,0|1,1,0]=4 7533 B12R1.25 C=CCSc1nccc(c1N)N 62a_100000085203_100000210623 [0,2,0,0,0,0|1,1,0]=4 7534 B12R1.25 C=CCSc1nccc(c1N)N 62a_100000210623_100000085203 [0,2,0,0,0,0|1,1,0]=4 7535 B12R1.25 C=CCSc1nccc(c1O)C 62a_100000210623_100000696282 [0,2,0,0,0,0|1,1,0]=4 7536 B12R1.25 C=CCSc1nccc(c1O)F 62a_100000210623_100009867227 [0,2,0,0,0,0|1,1,0]=4 7537 B12R1.25 C=CCSc1nccc(c1O)N 62a_100000210623_100009844647 [0,2,0,0,0,0|1,1,0]=4 7538 B12R1.25 CCCOc1cccc(c1Br)Br 34a_100010187966_100000210303 [0,2,0,0,0,0|0,0,2]=4 7539 B12R1.25 CCCOc1cccc(c1Br)Br 7a_100010187966_100000210303 [0,2,0,0,0,0|0,0,2]=4 7540 B12R1.25 CCCOc1cccc(c1Br)C 34a_100000686692_100000210303 [0,2,0,0,0,0|0,0,2]=4 7541 B12R1.25 CCCOc1cccc(c1Br)C 7a_100000686692_100000210303 [0,2,0,0,0,0|0,0,2]=4 7542 B12R1.25 CCCOc1cccc(c1Br)Cl 34a_100012348804_100000210303 [0,2,0,0,0,0|0,0,2]=4 7543 B12R1.25 CCCOc1cccc(c1Br)Cl 7a_100012348804_100000210303 [0,2,0,0,0,0|0,0,2]=4 7544 B12R1.25 CCCOc1cccc(c1Br)F 34a_100009820682_100000210303 [0,2,0,0,0,0|0,0,2]=4 7545 B12R1.25 CCCOc1cccc(c1Br)F 7a_100009820682_100000210303 [0,2,0,0,0,0|0,0,2]=4 7546 B12R1.25 CCCOc1cccc(c1Br)I 34a_100010187914_100000210303 [0,2,0,0,0,0|0,0,2]=4 7547 B12R1.25 CCCOc1cccc(c1Br)I 7a_100010187914_100000210303 [0,2,0,0,0,0|0,0,2]=4 7548 B12R1.25 CCCOc1cccc(c1Br)N 34a_100012183704_100000210303 [0,2,0,0,0,0|0,0,2]=4 7549 B12R1.25 CCCOc1cccc(c1Br)N 7a_100012183704_100000210303 [0,2,0,0,0,0|0,0,2]=4 7550 B12R1.25 CCCOc1cccc(c1C)Br 34a_100012002258_100000210303 [0,2,0,0,0,0|0,0,2]=4 7551 B12R1.25 CCCOc1cccc(c1C)Br 7a_100012002258_100000210303 [0,2,0,0,0,0|0,0,2]=4 7552 B12R1.25 CCCOc1cccc(c1C)C 34a_100000185855_100000210303 [0,2,0,0,0,0|0,0,2]=4 7553 B12R1.25 CCCOc1cccc(c1C)C 7a_100000185855_100000210303 [0,2,0,0,0,0|0,0,2]=4 7554 B12R1.25 CCCOc1cccc(c1C)Cl 34a_100011265684_100000210303 [0,2,0,0,0,0|0,0,2]=4 7555 B12R1.25 CCCOc1cccc(c1C)Cl 7a_100011265684_100000210303 [0,2,0,0,0,0|0,0,2]=4 7556 B12R1.25 CCCOc1cccc(c1C)F 34a_100011217231_100000210303 [0,2,0,0,0,0|0,0,2]=4 7557 B12R1.25 CCCOc1cccc(c1C)F 7a_100011217231_100000210303 [0,2,0,0,0,0|0,0,2]=4 7558 B12R1.25 CCCOc1cccc(c1C)N 34a_100011216573_100000210303 [0,2,0,0,0,0|0,0,2]=4 7559 B12R1.25 CCCOc1cccc(c1C)N 7a_100011216573_100000210303 [0,2,0,0,0,0|0,0,2]=4 7560 B12R1.25 CCCOc1cccc(c1Cl)Br 34a_100010187913_100000210303 [0,2,0,0,0,0|0,0,2]=4 7561 B12R1.25 CCCOc1cccc(c1Cl)Br 7a_100010187913_100000210303 [0,2,0,0,0,0|0,0,2]=4 7562 B12R1.25 CCCOc1cccc(c1Cl)C 34a_100000695629_100000210303 [0,2,0,0,0,0|0,0,2]=4 7563 B12R1.25 CCCOc1cccc(c1Cl)C 7a_100000695629_100000210303 [0,2,0,0,0,0|0,0,2]=4 7564 B12R1.25 CCCOc1cccc(c1Cl)Cl 34a_100000211076_100000210303 [0,2,0,0,0,0|0,0,2]=4 7565 B12R1.25 CCCOc1cccc(c1Cl)Cl 7a_100000211076_100000210303 [0,2,0,0,0,0|0,0,2]=4 7566 B12R1.25 CCCOc1cccc(c1Cl)F 34a_100000087408_100000210303 [0,2,0,0,0,0|0,0,2]=4 7567 B12R1.25 CCCOc1cccc(c1Cl)F 7a_100000087408_100000210303 [0,2,0,0,0,0|0,0,2]=4 7568 B12R1.25 CCCOc1cccc(c1Cl)I 34a_100000049636_100000210303 [0,2,0,0,0,0|0,0,2]=4 7569 B12R1.25 CCCOc1cccc(c1Cl)I 7a_100000049636_100000210303 [0,2,0,0,0,0|0,0,2]=4 7570 B12R1.25 CCCOc1cccc(c1Cl)N 34a_100012002038_100000210303 [0,2,0,0,0,0|0,0,2]=4 7571 B12R1.25 CCCOc1cccc(c1Cl)N 7a_100012002038_100000210303 [0,2,0,0,0,0|0,0,2]=4 7572 B12R1.25 CCCOc1cccc(c1F)Br 34a_100009817021_100000210303 [0,2,0,0,0,0|0,0,2]=4 7573 B12R1.25 CCCOc1cccc(c1F)Br 7a_100009817021_100000210303 [0,2,0,0,0,0|0,0,2]=4 7574 B12R1.25 CCCOc1cccc(c1F)C 34a_100000751311_100000210303 [0,2,0,0,0,0|0,0,2]=4 7575 B12R1.25 CCCOc1cccc(c1F)C 7a_100000751311_100000210303 [0,2,0,0,0,0|0,0,2]=4 7576 B12R1.25 CCCOc1cccc(c1F)Cl 34a_100000687438_100000210303 [0,2,0,0,0,0|0,0,2]=4 7577 B12R1.25 CCCOc1cccc(c1F)Cl 7a_100000687438_100000210303 [0,2,0,0,0,0|0,0,2]=4 7578 B12R1.25 CCCOc1cccc(c1F)F 34a_100000751161_100000210303 [0,2,0,0,0,0|0,0,2]=4 7579 B12R1.25 CCCOc1cccc(c1F)F 7a_100000751161_100000210303 [0,2,0,0,0,0|0,0,2]=4 7580 B12R1.25 CCCOc1cccc(c1I)Br 34a_100010187912_100000210303 [0,2,0,0,0,0|0,0,2]=4 7581 B12R1.25 CCCOc1cccc(c1I)Br 7a_100010187912_100000210303 [0,2,0,0,0,0|0,0,2]=4 7582 B12R1.25 CCCOc1cccc(c1I)C 34a_100010083724_100000210303 [0,2,0,0,0,0|0,0,2]=4 7583 B12R1.25 CCCOc1cccc(c1I)C 7a_100010083724_100000210303 [0,2,0,0,0,0|0,0,2]=4 7584 B12R1.25 CCCOc1cccc(c1I)Cl 34a_100000050174_100000210303 [0,2,0,0,0,0|0,0,2]=4 7585 B12R1.25 CCCOc1cccc(c1I)Cl 7a_100000050174_100000210303 [0,2,0,0,0,0|0,0,2]=4 7586 B12R1.25 CCCOc1cccc(c1I)F 34a_100000690913_100000210303 [0,2,0,0,0,0|0,0,2]=4 7587 B12R1.25 CCCOc1cccc(c1I)F 7a_100000690913_100000210303 [0,2,0,0,0,0|0,0,2]=4 7588 B12R1.25 CCCOc1cccc(c1N)Br 34a_100011934926_100000210303 [0,2,0,0,0,0|0,0,2]=4 7589 B12R1.25 CCCOc1cccc(c1N)Br 7a_100011934926_100000210303 [0,2,0,0,0,0|0,0,2]=4 7590 B12R1.25 CCCOc1cccc(c1N)C 34a_100000743429_100000210303 [0,2,0,0,0,0|0,0,2]=4 7591 B12R1.25 CCCOc1cccc(c1N)C 7a_100000743429_100000210303 [0,2,0,0,0,0|0,0,2]=4 7592 B12R1.25 CCCOc1cccc(c1N)Cl 34a_100012022510_100000210303 [0,2,0,0,0,0|0,0,2]=4 7593 B12R1.25 CCCOc1cccc(c1N)Cl 7a_100012022510_100000210303 [0,2,0,0,0,0|0,0,2]=4 7594 B12R1.25 CCCOc1cccc(c1N)F 34a_100020591140_100000210303 [0,2,0,0,0,0|0,0,2]=4 7595 B12R1.25 CCCOc1cccc(c1N)F 7a_100020591140_100000210303 [0,2,0,0,0,0|0,0,2]=4 7596 B12R1.25 CCCOc1cccc(c1N)I 34a_200000049512_100000210303 [0,2,0,0,0,0|0,0,2]=4 7597 B12R1.25 CCCOc1cccc(c1N)I 7a_200000049512_100000210303 [0,2,0,0,0,0|0,0,2]=4 7598 B12R1.25 CCCOc1cccc(c1N)N 34a_100000033209_100000210303 [0,2,0,0,0,0|0,0,2]=4 7599 B12R1.25 CSCOc1cccc(c1Br)Br 34a_100010187966_100011218213 [0,2,0,0,0,0|1,0,1]=4 7600 B12R1.25 CSCOc1cccc(c1Br)C 34a_100000686692_100011218213 [0,2,0,0,0,0|1,0,1]=4 7601 B12R1.25 CSCOc1cccc(c1Br)Cl 34a_100012348804_100011218213 [0,2,0,0,0,0|1,0,1]=4 7602 B12R1.25 CSCOc1cccc(c1Br)F 34a_100009820682_100011218213 [0,2,0,0,0,0|1,0,1]=4 7603 B12R1.25 CSCOc1cccc(c1Br)I 34a_100010187914_100011218213 [0,2,0,0,0,0|1,0,1]=4 7604 B12R1.25 CSCOc1cccc(c1Br)N 34a_100012183704_100011218213 [0,2,0,0,0,0|1,0,1]=4 7605 B12R1.25 CSCOc1cccc(c1C)Br 34a_100012002258_100011218213 [0,2,0,0,0,0|1,0,1]=4 7606 B12R1.25 CSCOc1cccc(c1C)C 34a_100000185855_100011218213 [0,2,0,0,0,0|1,0,1]=4 7607 B12R1.25 CSCOc1cccc(c1C)Cl 34a_100011265684_100011218213 [0,2,0,0,0,0|1,0,1]=4 7608 B12R1.25 CSCOc1cccc(c1C)F 34a_100011217231_100011218213 [0,2,0,0,0,0|1,0,1]=4 7609 B12R1.25 CSCOc1cccc(c1C)N 34a_100011216573_100011218213 [0,2,0,0,0,0|1,0,1]=4 7610 B12R1.25 CSCOc1cccc(c1Cl)Br 34a_100010187913_100011218213 [0,2,0,0,0,0|1,0,1]=4 7611 B12R1.25 CSCOc1cccc(c1Cl)C 34a_100000695629_100011218213 [0,2,0,0,0,0|1,0,1]=4 7612 B12R1.25 CSCOc1cccc(c1Cl)Cl 34a_100000211076_100011218213 [0,2,0,0,0,0|1,0,1]=4 7613 B12R1.25 CSCOc1cccc(c1Cl)F 34a_100000087408_100011218213 [0,2,0,0,0,0|1,0,1]=4 7614 B12R1.25 CSCOc1cccc(c1Cl)I 34a_100000049636_100011218213 [0,2,0,0,0,0|1,0,1]=4 7615 B12R1.25 CSCOc1cccc(c1Cl)N 34a_100012002038_100011218213 [0,2,0,0,0,0|1,0,1]=4 7616 B12R1.25 CSCOc1cccc(c1F)Br 34a_100009817021_100011218213 [0,2,0,0,0,0|1,0,1]=4 7617 B12R1.25 CSCOc1cccc(c1F)C 34a_100000751311_100011218213 [0,2,0,0,0,0|1,0,1]=4 7618 B12R1.25 CSCOc1cccc(c1F)Cl 34a_100000687438_100011218213 [0,2,0,0,0,0|1,0,1]=4 7619 B12R1.25 CSCOc1cccc(c1F)F 34a_100000751161_100011218213 [0,2,0,0,0,0|1,0,1]=4 7620 B12R1.25 CSCOc1cccc(c1I)Br 34a_100010187912_100011218213 [0,2,0,0,0,0|1,0,1]=4 7621 B12R1.25 CSCOc1cccc(c1I)C 34a_100010083724_100011218213 [0,2,0,0,0,0|1,0,1]=4 7622 B12R1.25 CSCOc1cccc(c1I)Cl 34a_100000050174_100011218213 [0,2,0,0,0,0|1,0,1]=4 7623 B12R1.25 CSCOc1cccc(c1I)F 34a_100000690913_100011218213 [0,2,0,0,0,0|1,0,1]=4 7624 B12R1.25 CSCOc1cccc(c1N)Br 34a_100011934926_100011218213 [0,2,0,0,0,0|1,0,1]=4 7625 B12R1.25 CSCOc1cccc(c1N)C 34a_100000743429_100011218213 [0,2,0,0,0,0|1,0,1]=4 7626 B12R1.25 CSCOc1cccc(c1N)Cl 34a_100012022510_100011218213 [0,2,0,0,0,0|1,0,1]=4 7627 B12R1.25 CSCOc1cccc(c1N)F 34a_100020591140_100011218213 [0,2,0,0,0,0|1,0,1]=4 7628 B12R1.25 CSCOc1cccc(c1N)I 34a_200000049512_100011218213 [0,2,0,0,0,0|1,0,1]=4 7629 B12R1.25 CSCOc1cccc(c1N)N 34a_100000033209_100011218213 [0,2,0,0,0,0|1,0,1]=4 7630 B12R1.25 Cc1c(cccc1NCC=O)Br 34a_100000750434_200009817547 [0,2,0,0,0,0|2,0,0]=4 7631 B12R1.25 Cc1c(cccc1NCC=O)Cl 2230a_100000210441_200015260668 [0,2,0,0,0,0|2,0,0]=4 7632 B12R1.25 Cc1c(cccc1NCC=O)Cl 34a_100000210441_200009817547 [0,2,0,0,0,0|2,0,0]=4 7633 B12R1.25 Cc1c(cccc1NCC=O)Cl 7a_100000210441_200015260668 [0,2,0,0,0,0|2,0,0]=4 7634 B12R1.25 Cc1c(cccc1NCC=O)F 34a_100000745574_200009817547 [0,2,0,0,0,0|2,0,0]=4 7635 B12R1.25 Cc1c(cccc1NCC=O)F 7a_100000745574_200015260668 [0,2,0,0,0,0|2,0,0]=4 7636 B12R1.25 Cc1c(cccc1NCC=O)I 34a_100000761887_200009817547 [0,2,0,0,0,0|2,0,0]=4 7637 B12R1.25 Cc1c(cccc1NCC=O)O 34a_100011216573_200009817547 [0,2,0,0,0,0|2,0,0]=4 7638 B12R1.25 Cc1c(cccc1NCC=O)O 7a_100011216573_200015260668 [0,2,0,0,0,0|2,0,0]=4 7639 B12R1.25 Cc1c(cccc1OCC#N)Br 7a_100012002258_100011215382 [0,2,0,0,0,0|1,0,1]=4 7640 B12R1.25 Cc1c(cccc1OCC#N)Cl 7a_100011265684_100011215382 [0,2,0,0,0,0|1,0,1]=4 7641 B12R1.25 Cc1c(cccc1OCC#N)F 7a_100011217231_100011215382 [0,2,0,0,0,0|1,0,1]=4 7642 B12R1.25 Cc1c(cccc1OCC#N)N 7a_100011216573_100011215382 [0,2,0,0,0,0|1,0,1]=4 7643 B12R1.25 Cc1c(cccc1OCC=O)Br 34a_100012002258_200009817547 [0,2,0,0,0,0|1,0,0]=3 7644 B12R1.25 Cc1c(cccc1OCC=O)Br 7a_100012002258_200015260668 [0,2,0,0,0,0|1,0,0]=3 7645 B12R1.25 Cc1c(cccc1OCC=O)Cl 34a_100011265684_200009817547 [0,2,0,0,0,0|1,0,0]=3 7646 B12R1.25 Cc1c(cccc1OCC=O)Cl 7a_100011265684_200015260668 [0,2,0,0,0,0|1,0,0]=3 7647 B12R1.25 Cc1c(cccc1OCC=O)F 34a_100011217231_200009817547 [0,2,0,0,0,0|1,0,0]=3 7648 B12R1.25 Cc1c(cccc1OCC=O)F 7a_100011217231_200015260668 [0,2,0,0,0,0|1,0,0]=3 7649 B12R1.25 Cc1c(cccc1OCC=O)N 34a_100011216573_200009817547 [0,2,0,0,0,0|1,0,0]=3 7650 B12R1.25 Cc1c(cccc1OCC=O)N 7a_100011216573_200015260668 [0,2,0,0,0,0|1,0,0]=3 7651 B12R1.25 Cc1c(cccc1OCCF)Br 34a_100012002258_100011217306 [0,2,0,0,0,0|1,0,1]=4 7652 B12R1.25 Cc1c(cccc1OCCF)Br 7a_100012002258_100011217306 [0,2,0,0,0,0|1,0,1]=4 7653 B12R1.25 Cc1c(cccc1OCCF)Cl 34a_100011265684_100011217306 [0,2,0,0,0,0|1,0,1]=4 7654 B12R1.25 Cc1c(cccc1OCCF)Cl 7a_100011265684_100011217306 [0,2,0,0,0,0|1,0,1]=4 7655 B12R1.25 Cc1c(cccc1OCCF)F 34a_100011217231_100011217306 [0,2,0,0,0,0|1,0,1]=4 7656 B12R1.25 Cc1c(cccc1OCCF)F 7a_100011217231_100011217306 [0,2,0,0,0,0|1,0,1]=4 7657 B12R1.25 Cc1c(cccc1OCCF)N 34a_100011216573_100011217306 [0,2,0,0,0,0|1,0,1]=4 7658 B12R1.25 Cc1c(cccc1OCCF)N 7a_100011216573_100011217306 [0,2,0,0,0,0|1,0,1]=4 7659 B12R1.25 Cc1c(cccc1OCCO)Br 34a_100012002258_100000211926 [0,2,0,0,0,0|1,0,1]=4 7660 B12R1.25 Cc1c(cccc1OCCO)Br 7a_100012002258_100000211926 [0,2,0,0,0,0|1,0,1]=4 7661 B12R1.25 Cc1c(cccc1OCCO)Cl 34a_100011265684_100000211926 [0,2,0,0,0,0|1,0,1]=4 7662 B12R1.25 Cc1c(cccc1OCCO)Cl 7a_100011265684_100000211926 [0,2,0,0,0,0|1,0,1]=4 7663 B12R1.25 Cc1c(cccc1OCCO)F 34a_100011217231_100000211926 [0,2,0,0,0,0|1,0,1]=4 7664 B12R1.25 Cc1c(cccc1OCCO)F 7a_100011217231_100000211926 [0,2,0,0,0,0|1,0,1]=4 7665 B12R1.25 Cc1c(cccc1OCCO)N 34a_100011216573_100000211926 [0,2,0,0,0,0|1,0,1]=4 7666 B12R1.25 Cc1c(cccc1OCCO)N 7a_100011216573_100000211926 [0,2,0,0,0,0|1,0,1]=4 7667 B12R1.25 Cc1c(cccc1SCC=O)Br 62a_100012353703_200015260668 [0,2,0,0,0,0|1,1,0]=4 7668 B12R1.25 Cc1c(cccc1SCC=O)Br 62a_200015260668_100012353703 [0,2,0,0,0,0|1,1,0]=4 7669 B12R1.25 Cc1c(cccc1SCC=O)Cl 62a_100000726075_200015260668 [0,2,0,0,0,0|1,1,0]=4 7670 B12R1.25 Cc1c(cccc1SCC=O)Cl 62a_200015260668_100000726075 [0,2,0,0,0,0|1,1,0]=4 7671 B12R1.25 Cc1c(cccc1SCC=O)F 62a_100011216893_200015260668 [0,2,0,0,0,0|1,1,0]=4 7672 B12R1.25 Cc1c(cccc1SCC=O)F 62a_200015260668_100011216893 [0,2,0,0,0,0|1,1,0]=4 7673 B12R1.25 Cc1c(cccc1SCC=O)N 62a_100000761887_200015260668 [0,2,0,0,0,0|1,1,0]=4 7674 B12R1.25 Cc1c(cccc1SCC=O)N 62a_200015260668_100000761887 [0,2,0,0,0,0|1,1,0]=4 7675 B12R1.25 Cc1c(cccc1SCC=O)O 62a_100012002258_200015260668 [0,2,0,0,0,0|1,1,0]=4 7676 B12R1.25 Cc1c(cccc1SCC=O)O 62a_200015260668_100012002258 [0,2,0,0,0,0|1,1,0]=4 7677 B12R1.25 Cc1c(ccnc1OCC=O)Br 34a_100009858498_200009817547 [0,2,0,0,0,0|2,0,0]=4 7678 B12R1.25 Cc1cccc(c1Br)NCC=O 34a_100000684715_200009817547 [0,2,0,0,0,0|2,0,0]=4 7679 B12R1.25 Cc1cccc(c1Br)OCC#N 7a_100000686692_100011215382 [0,2,0,0,0,0|1,0,1]=4 7680 B12R1.25 Cc1cccc(c1Br)OCC=O 34a_100000686692_200009817547 [0,2,0,0,0,0|1,0,0]=3 7681 B12R1.25 Cc1cccc(c1Br)OCC=O 7a_100000686692_200015260668 [0,2,0,0,0,0|1,0,0]=3 7682 B12R1.25 Cc1cccc(c1Br)OCCF 34a_100000686692_100011217306 [0,2,0,0,0,0|1,0,1]=4 7683 B12R1.25 Cc1cccc(c1Br)OCCF 7a_100000686692_100011217306 [0,2,0,0,0,0|1,0,1]=4 7684 B12R1.25 Cc1cccc(c1Br)OCCO 34a_100000686692_100000211926 [0,2,0,0,0,0|1,0,1]=4 7685 B12R1.25 Cc1cccc(c1Br)OCCO 7a_100000686692_100000211926 [0,2,0,0,0,0|1,0,1]=4 7686 B12R1.25 Cc1cccc(c1Br)SCC=O 62a_100012362457_200015260668 [0,2,0,0,0,0|1,1,0]=4 7687 B12R1.25 Cc1cccc(c1Br)SCC=O 62a_200015260668_100012362457 [0,2,0,0,0,0|1,1,0]=4 7688 B12R1.25 Cc1cccc(c1C)NCC=O 2230a_100000210026_200015260668 [0,2,0,0,0,0|2,0,0]=4 7689 B12R1.25 Cc1cccc(c1C)NCC=O 34a_100000210026_200009817547 [0,2,0,0,0,0|2,0,0]=4 7690 B12R1.25 Cc1cccc(c1C)NCC=O 7a_100000210026_200015260668 [0,2,0,0,0,0|2,0,0]=4 7691 B12R1.25 Cc1cccc(c1C)OCC#N 7a_100000185855_100011215382 [0,2,0,0,0,0|1,0,1]=4 7692 B12R1.25 Cc1cccc(c1C)OCC=O 34a_100000185855_200009817547 [0,2,0,0,0,0|1,0,0]=3 7693 B12R1.25 Cc1cccc(c1C)OCC=O 7a_100000185855_200015260668 [0,2,0,0,0,0|1,0,0]=3 7694 B12R1.25 Cc1cccc(c1C)OCCF 34a_100000185855_100011217306 [0,2,0,0,0,0|1,0,1]=4 7695 B12R1.25 Cc1cccc(c1C)OCCF 7a_100000185855_100011217306 [0,2,0,0,0,0|1,0,1]=4 7696 B12R1.25 Cc1cccc(c1C)OCCO 34a_100000185855_100000211926 [0,2,0,0,0,0|1,0,1]=4 7697 B12R1.25 Cc1cccc(c1C)OCCO 7a_100000185855_100000211926 [0,2,0,0,0,0|1,0,1]=4 7698 B12R1.25 Cc1cccc(c1C)SCC=O 62a_100011214922_200015260668 [0,2,0,0,0,0|1,1,0]=4 7699 B12R1.25 Cc1cccc(c1C)SCC=O 62a_200015260668_100011214922 [0,2,0,0,0,0|1,1,0]=4 7700 B12R1.25 Cc1cccc(c1Cl)NCC=O 34a_100000765562_200009817547 [0,2,0,0,0,0|2,0,0]=4 7701 B12R1.25 Cc1cccc(c1Cl)NCC=O 7a_100000765562_200015260668 [0,2,0,0,0,0|2,0,0]=4 7702 B12R1.25 Cc1cccc(c1Cl)OCC#N 7a_100000695629_100011215382 [0,2,0,0,0,0|1,0,1]=4 7703 B12R1.25 Cc1cccc(c1Cl)OCC=O 34a_100000695629_200009817547 [0,2,0,0,0,0|1,0,0]=3 7704 B12R1.25 Cc1cccc(c1Cl)OCC=O 7a_100000695629_200015260668 [0,2,0,0,0,0|1,0,0]=3 7705 B12R1.25 Cc1cccc(c1Cl)OCCF 34a_100000695629_100011217306 [0,2,0,0,0,0|1,0,1]=4 7706 B12R1.25 Cc1cccc(c1Cl)OCCF 7a_100000695629_100011217306 [0,2,0,0,0,0|1,0,1]=4 7707 B12R1.25 Cc1cccc(c1Cl)OCCO 34a_100000695629_100000211926 [0,2,0,0,0,0|1,0,1]=4 7708 B12R1.25 Cc1cccc(c1Cl)OCCO 7a_100000695629_100000211926 [0,2,0,0,0,0|1,0,1]=4 7709 B12R1.25 Cc1cccc(c1Cl)SCC=O 62a_200012352035_200015260668 [0,2,0,0,0,0|1,1,0]=4 7710 B12R1.25 Cc1cccc(c1Cl)SCC=O 62a_200015260668_200012352035 [0,2,0,0,0,0|1,1,0]=4 7711 B12R1.25 Cc1cccc(c1F)NCC=O 2230a_100000697159_200015260668 [0,2,0,0,0,0|2,0,0]=4 7712 B12R1.25 Cc1cccc(c1F)NCC=O 34a_100000697159_200009817547 [0,2,0,0,0,0|2,0,0]=4 7713 B12R1.25 Cc1cccc(c1F)NCC=O 7a_100000697159_200015260668 [0,2,0,0,0,0|2,0,0]=4 7714 B12R1.25 Cc1cccc(c1F)OCC#N 7a_100000751311_100011215382 [0,2,0,0,0,0|1,0,1]=4 7715 B12R1.25 Cc1cccc(c1F)OCC=O 34a_100000751311_200009817547 [0,2,0,0,0,0|1,0,0]=3 7716 B12R1.25 Cc1cccc(c1F)OCC=O 7a_100000751311_200015260668 [0,2,0,0,0,0|1,0,0]=3 7717 B12R1.25 Cc1cccc(c1F)OCCF 34a_100000751311_100011217306 [0,2,0,0,0,0|1,0,1]=4 7718 B12R1.25 Cc1cccc(c1F)OCCF 7a_100000751311_100011217306 [0,2,0,0,0,0|1,0,1]=4 7719 B12R1.25 Cc1cccc(c1F)OCCO 34a_100000751311_100000211926 [0,2,0,0,0,0|1,0,1]=4 7720 B12R1.25 Cc1cccc(c1F)OCCO 7a_100000751311_100000211926 [0,2,0,0,0,0|1,0,1]=4 7721 B12R1.25 Cc1cccc(c1F)SCC=O 62a_100000717567_200015260668 [0,2,0,0,0,0|1,1,0]=4 7722 B12R1.25 Cc1cccc(c1F)SCC=O 62a_200015260668_100000717567 [0,2,0,0,0,0|1,1,0]=4 7723 B12R1.25 Cc1cccc(c1I)NCC=O 34a_100000761888_200009817547 [0,2,0,0,0,0|2,0,0]=4 7724 B12R1.25 Cc1cccc(c1I)OCC#N 7a_100010083724_100011215382 [0,2,0,0,0,0|1,0,1]=4 7725 B12R1.25 Cc1cccc(c1I)OCC=O 34a_100010083724_200009817547 [0,2,0,0,0,0|1,0,0]=3 7726 B12R1.25 Cc1cccc(c1I)OCC=O 7a_100010083724_200015260668 [0,2,0,0,0,0|1,0,0]=3 7727 B12R1.25 Cc1cccc(c1I)OCCF 34a_100010083724_100011217306 [0,2,0,0,0,0|1,0,1]=4 7728 B12R1.25 Cc1cccc(c1I)OCCF 7a_100010083724_100011217306 [0,2,0,0,0,0|1,0,1]=4 7729 B12R1.25 Cc1cccc(c1I)OCCO 34a_100010083724_100000211926 [0,2,0,0,0,0|1,0,1]=4 7730 B12R1.25 Cc1cccc(c1I)OCCO 7a_100010083724_100000211926 [0,2,0,0,0,0|1,0,1]=4 7731 B12R1.25 Cc1cccc(c1N)OCC#N 7a_100000743429_100011215382 [0,2,0,0,0,0|1,0,1]=4 7732 B12R1.25 Cc1cccc(c1N)OCC=O 34a_100000743429_200009817547 [0,2,0,0,0,0|1,0,0]=3 7733 B12R1.25 Cc1cccc(c1N)OCC=O 7a_100000743429_200015260668 [0,2,0,0,0,0|1,0,0]=3 7734 B12R1.25 Cc1cccc(c1N)OCCF 34a_100000743429_100011217306 [0,2,0,0,0,0|1,0,1]=4 7735 B12R1.25 Cc1cccc(c1N)OCCF 7a_100000743429_100011217306 [0,2,0,0,0,0|1,0,1]=4 7736 B12R1.25 Cc1cccc(c1N)OCCO 34a_100000743429_100000211926 [0,2,0,0,0,0|1,0,1]=4 7737 B12R1.25 Cc1cccc(c1N)OCCO 7a_100000743429_100000211926 [0,2,0,0,0,0|1,0,1]=4 7738 B12R1.25 Cc1cccc(c1N)SCC=O 62a_100011834072_200015260668 [0,2,0,0,0,0|1,1,0]=4 7739 B12R1.25 Cc1cccc(c1N)SCC=O 62a_200015260668_100011834072 [0,2,0,0,0,0|1,1,0]=4 7740 B12R1.25 Cc1cccc(c1O)NCC=O 34a_100000756359_200009817547 [0,2,0,0,0,0|2,0,0]=4 7741 B12R1.25 Cc1cccc(c1O)SCC=O 62a_100009817157_200015260668 [0,2,0,0,0,0|1,1,0]=4 7742 B12R1.25 Cc1cccc(c1O)SCC=O 62a_200015260668_100009817157 [0,2,0,0,0,0|1,1,0]=4 7743 B12R1.25 Cc1ccnc(c1Br)OCC=O 34a_100012000493_200009817547 [0,2,0,0,0,0|2,0,0]=4 7744 B12R1.25 Cn1cccc(c1=O)OCC=O 34a_100000117616_200009817547 [0,2,0,0,0,0|2,0,0]=4 7745 B12R1.25 Cn1cccc(c1=O)OCC=O 7a_100000117616_200015260668 [0,2,0,0,0,0|2,0,0]=4 7746 B12R1.25 FCCOc1cccc(c1Br)Br 34a_100010187966_100011217306 [0,2,0,0,0,0|1,0,1]=4 7747 B12R1.25 FCCOc1cccc(c1Br)Br 7a_100010187966_100011217306 [0,2,0,0,0,0|1,0,1]=4 7748 B12R1.25 FCCOc1cccc(c1Br)Cl 34a_100012348804_100011217306 [0,2,0,0,0,0|1,0,1]=4 7749 B12R1.25 FCCOc1cccc(c1Br)Cl 7a_100012348804_100011217306 [0,2,0,0,0,0|1,0,1]=4 7750 B12R1.25 FCCOc1cccc(c1Br)F 34a_100009820682_100011217306 [0,2,0,0,0,0|1,0,1]=4 7751 B12R1.25 FCCOc1cccc(c1Br)F 7a_100009820682_100011217306 [0,2,0,0,0,0|1,0,1]=4 7752 B12R1.25 FCCOc1cccc(c1Br)I 34a_100010187914_100011217306 [0,2,0,0,0,0|1,0,1]=4 7753 B12R1.25 FCCOc1cccc(c1Br)I 7a_100010187914_100011217306 [0,2,0,0,0,0|1,0,1]=4 7754 B12R1.25 FCCOc1cccc(c1Cl)Br 34a_100010187913_100011217306 [0,2,0,0,0,0|1,0,1]=4 7755 B12R1.25 FCCOc1cccc(c1Cl)Br 7a_100010187913_100011217306 [0,2,0,0,0,0|1,0,1]=4 7756 B12R1.25 FCCOc1cccc(c1Cl)Cl 34a_100000211076_100011217306 [0,2,0,0,0,0|1,0,1]=4 7757 B12R1.25 FCCOc1cccc(c1Cl)Cl 7a_100000211076_100011217306 [0,2,0,0,0,0|1,0,1]=4 7758 B12R1.25 FCCOc1cccc(c1Cl)F 34a_100000087408_100011217306 [0,2,0,0,0,0|1,0,1]=4 7759 B12R1.25 FCCOc1cccc(c1Cl)F 7a_100000087408_100011217306 [0,2,0,0,0,0|1,0,1]=4 7760 B12R1.25 FCCOc1cccc(c1Cl)I 34a_100000049636_100011217306 [0,2,0,0,0,0|1,0,1]=4 7761 B12R1.25 FCCOc1cccc(c1Cl)I 7a_100000049636_100011217306 [0,2,0,0,0,0|1,0,1]=4 7762 B12R1.25 FCCOc1cccc(c1F)Br 34a_100009817021_100011217306 [0,2,0,0,0,0|1,0,1]=4 7763 B12R1.25 FCCOc1cccc(c1F)Br 7a_100009817021_100011217306 [0,2,0,0,0,0|1,0,1]=4 7764 B12R1.25 FCCOc1cccc(c1F)Cl 34a_100000687438_100011217306 [0,2,0,0,0,0|1,0,1]=4 7765 B12R1.25 FCCOc1cccc(c1F)Cl 7a_100000687438_100011217306 [0,2,0,0,0,0|1,0,1]=4 7766 B12R1.25 FCCOc1cccc(c1F)F 34a_100000751161_100011217306 [0,2,0,0,0,0|1,0,1]=4 7767 B12R1.25 FCCOc1cccc(c1F)F 7a_100000751161_100011217306 [0,2,0,0,0,0|1,0,1]=4 7768 B12R1.25 FCCOc1cccc(c1I)Br 34a_100010187912_100011217306 [0,2,0,0,0,0|1,0,1]=4 7769 B12R1.25 FCCOc1cccc(c1I)Br 7a_100010187912_100011217306 [0,2,0,0,0,0|1,0,1]=4 7770 B12R1.25 FCCOc1cccc(c1I)Cl 34a_100000050174_100011217306 [0,2,0,0,0,0|1,0,1]=4 7771 B12R1.25 FCCOc1cccc(c1I)Cl 7a_100000050174_100011217306 [0,2,0,0,0,0|1,0,1]=4 7772 B12R1.25 FCCOc1cccc(c1I)F 34a_100000690913_100011217306 [0,2,0,0,0,0|1,0,1]=4 7773 B12R1.25 FCCOc1cccc(c1I)F 7a_100000690913_100011217306 [0,2,0,0,0,0|1,0,1]=4 7774 B12R1.25 N#CCOc1cccc(c1Br)Br 7a_100010187966_100011215382 [0,2,0,0,0,0|1,0,1]=4 7775 B12R1.25 N#CCOc1cccc(c1Br)Cl 7a_100012348804_100011215382 [0,2,0,0,0,0|1,0,1]=4 7776 B12R1.25 N#CCOc1cccc(c1Br)F 7a_100009820682_100011215382 [0,2,0,0,0,0|1,0,1]=4 7777 B12R1.25 N#CCOc1cccc(c1Br)I 7a_100010187914_100011215382 [0,2,0,0,0,0|1,0,1]=4 7778 B12R1.25 N#CCOc1cccc(c1Br)N 7a_100012183704_100011215382 [0,2,0,0,0,0|1,0,1]=4 7779 B12R1.25 N#CCOc1cccc(c1Cl)Br 7a_100010187913_100011215382 [0,2,0,0,0,0|1,0,1]=4 7780 B12R1.25 N#CCOc1cccc(c1Cl)Cl 7a_100000211076_100011215382 [0,2,0,0,0,0|1,0,1]=4 7781 B12R1.25 N#CCOc1cccc(c1Cl)F 7a_100000087408_100011215382 [0,2,0,0,0,0|1,0,1]=4 7782 B12R1.25 N#CCOc1cccc(c1Cl)I 7a_100000049636_100011215382 [0,2,0,0,0,0|1,0,1]=4 7783 B12R1.25 N#CCOc1cccc(c1Cl)N 7a_100012002038_100011215382 [0,2,0,0,0,0|1,0,1]=4 7784 B12R1.25 N#CCOc1cccc(c1F)Br 7a_100009817021_100011215382 [0,2,0,0,0,0|1,0,1]=4 7785 B12R1.25 N#CCOc1cccc(c1F)Cl 7a_100000687438_100011215382 [0,2,0,0,0,0|1,0,1]=4 7786 B12R1.25 N#CCOc1cccc(c1F)F 7a_100000751161_100011215382 [0,2,0,0,0,0|1,0,1]=4 7787 B12R1.25 N#CCOc1cccc(c1I)Br 7a_100010187912_100011215382 [0,2,0,0,0,0|1,0,1]=4 7788 B12R1.25 N#CCOc1cccc(c1I)Cl 7a_100000050174_100011215382 [0,2,0,0,0,0|1,0,1]=4 7789 B12R1.25 N#CCOc1cccc(c1I)F 7a_100000690913_100011215382 [0,2,0,0,0,0|1,0,1]=4 7790 B12R1.25 N#CCOc1cccc(c1N)Br 7a_100011934926_100011215382 [0,2,0,0,0,0|1,0,1]=4 7791 B12R1.25 N#CCOc1cccc(c1N)Cl 7a_100012022510_100011215382 [0,2,0,0,0,0|1,0,1]=4 7792 B12R1.25 N#CCOc1cccc(c1N)F 7a_100020591140_100011215382 [0,2,0,0,0,0|1,0,1]=4 7793 B12R1.25 N#CCOc1cccc(c1N)I 7a_200000049512_100011215382 [0,2,0,0,0,0|1,0,1]=4 7794 B12R1.25 Nc1c(cccc1OCC=O)Br 34a_100011934926_200009817547 [0,2,0,0,0,0|1,0,0]=3 7795 B12R1.25 Nc1c(cccc1OCC=O)Br 7a_100011934926_200015260668 [0,2,0,0,0,0|1,0,0]=3 7796 B12R1.25 Nc1c(cccc1OCC=O)Cl 34a_100012022510_200009817547 [0,2,0,0,0,0|1,0,0]=3 7797 B12R1.25 Nc1c(cccc1OCC=O)Cl 7a_100012022510_200015260668 [0,2,0,0,0,0|1,0,0]=3 7798 B12R1.25 Nc1c(cccc1OCC=O)F 34a_100020591140_200009817547 [0,2,0,0,0,0|1,0,0]=3 7799 B12R1.25 Nc1c(cccc1OCC=O)F 7a_100020591140_200015260668 [0,2,0,0,0,0|1,0,0]=3 7800 B12R1.25 Nc1c(cccc1OCC=O)I 34a_200000049512_200009817547 [0,2,0,0,0,0|1,0,0]=3 7801 B12R1.25 Nc1c(cccc1OCC=O)I 7a_200000049512_200015260668 [0,2,0,0,0,0|1,0,0]=3 7802 B12R1.25 Nc1c(cccc1OCCF)Br 34a_100011934926_100011217306 [0,2,0,0,0,0|1,0,1]=4 7803 B12R1.25 Nc1c(cccc1OCCF)Br 7a_100011934926_100011217306 [0,2,0,0,0,0|1,0,1]=4 7804 B12R1.25 Nc1c(cccc1OCCF)Cl 34a_100012022510_100011217306 [0,2,0,0,0,0|1,0,1]=4 7805 B12R1.25 Nc1c(cccc1OCCF)Cl 7a_100012022510_100011217306 [0,2,0,0,0,0|1,0,1]=4 7806 B12R1.25 Nc1c(cccc1OCCF)F 34a_100020591140_100011217306 [0,2,0,0,0,0|1,0,1]=4 7807 B12R1.25 Nc1c(cccc1OCCF)F 7a_100020591140_100011217306 [0,2,0,0,0,0|1,0,1]=4 7808 B12R1.25 Nc1c(cccc1OCCF)I 34a_200000049512_100011217306 [0,2,0,0,0,0|1,0,1]=4 7809 B12R1.25 Nc1c(cccc1OCCF)I 7a_200000049512_100011217306 [0,2,0,0,0,0|1,0,1]=4 7810 B12R1.25 Nc1c(cccc1OCCO)Br 34a_100011934926_100000211926 [0,2,0,0,0,0|1,0,1]=4 7811 B12R1.25 Nc1c(cccc1OCCO)Br 7a_100011934926_100000211926 [0,2,0,0,0,0|1,0,1]=4 7812 B12R1.25 Nc1c(cccc1OCCO)Cl 34a_100012022510_100000211926 [0,2,0,0,0,0|1,0,1]=4 7813 B12R1.25 Nc1c(cccc1OCCO)Cl 7a_100012022510_100000211926 [0,2,0,0,0,0|1,0,1]=4 7814 B12R1.25 Nc1c(cccc1OCCO)F 34a_100020591140_100000211926 [0,2,0,0,0,0|1,0,1]=4 7815 B12R1.25 Nc1c(cccc1OCCO)F 7a_100020591140_100000211926 [0,2,0,0,0,0|1,0,1]=4 7816 B12R1.25 Nc1c(cccc1OCCO)I 34a_200000049512_100000211926 [0,2,0,0,0,0|1,0,1]=4 7817 B12R1.25 Nc1c(cccc1OCCO)I 7a_200000049512_100000211926 [0,2,0,0,0,0|1,0,1]=4 7818 B12R1.25 Nc1c(cccc1SCC=O)Br 62a_100010146558_200015260668 [0,2,0,0,0,0|1,1,0]=4 7819 B12R1.25 Nc1c(cccc1SCC=O)Br 62a_200015260668_100010146558 [0,2,0,0,0,0|1,1,0]=4 7820 B12R1.25 Nc1c(cccc1SCC=O)Cl 62a_100010190421_200015260668 [0,2,0,0,0,0|1,1,0]=4 7821 B12R1.25 Nc1c(cccc1SCC=O)Cl 62a_200015260668_100010190421 [0,2,0,0,0,0|1,1,0]=4 7822 B12R1.25 Nc1c(cccc1SCC=O)F 62a_100000042321_200015260668 [0,2,0,0,0,0|1,1,0]=4 7823 B12R1.25 Nc1c(cccc1SCC=O)F 62a_200015260668_100000042321 [0,2,0,0,0,0|1,1,0]=4 7824 B12R1.25 Nc1c(cccc1SCC=O)O 62a_200015260668_100011934926 [0,2,0,0,0,0|1,1,0]=4 7825 B12R1.25 Nc1c(ccnc1Cl)OCC=O 34a_100000128729_200009817547 [0,2,0,0,0,0|2,0,0]=4 7826 B12R1.25 Nc1cccc(c1Br)OCC=O 34a_100012183704_200009817547 [0,2,0,0,0,0|1,0,0]=3 7827 B12R1.25 Nc1cccc(c1Br)OCC=O 7a_100012183704_200015260668 [0,2,0,0,0,0|1,0,0]=3 7828 B12R1.25 Nc1cccc(c1Br)OCCF 34a_100012183704_100011217306 [0,2,0,0,0,0|1,0,1]=4 7829 B12R1.25 Nc1cccc(c1Br)OCCF 7a_100012183704_100011217306 [0,2,0,0,0,0|1,0,1]=4 7830 B12R1.25 Nc1cccc(c1Br)OCCO 34a_100012183704_100000211926 [0,2,0,0,0,0|1,0,1]=4 7831 B12R1.25 Nc1cccc(c1Br)OCCO 7a_100012183704_100000211926 [0,2,0,0,0,0|1,0,1]=4 7832 B12R1.25 Nc1cccc(c1Cl)OCC=O 34a_100012002038_200009817547 [0,2,0,0,0,0|1,0,0]=3 7833 B12R1.25 Nc1cccc(c1Cl)OCC=O 7a_100012002038_200015260668 [0,2,0,0,0,0|1,0,0]=3 7834 B12R1.25 Nc1cccc(c1Cl)OCCF 34a_100012002038_100011217306 [0,2,0,0,0,0|1,0,1]=4 7835 B12R1.25 Nc1cccc(c1Cl)OCCF 7a_100012002038_100011217306 [0,2,0,0,0,0|1,0,1]=4 7836 B12R1.25 Nc1cccc(c1Cl)OCCO 34a_100012002038_100000211926 [0,2,0,0,0,0|1,0,1]=4 7837 B12R1.25 Nc1cccc(c1Cl)OCCO 7a_100012002038_100000211926 [0,2,0,0,0,0|1,0,1]=4 7838 B12R1.25 Nc1cccc(c1F)SCC=O 62a_100011935091_200015260668 [0,2,0,0,0,0|1,1,0]=4 7839 B12R1.25 Nc1cccc(c1F)SCC=O 62a_200015260668_100011935091 [0,2,0,0,0,0|1,1,0]=4 7840 B12R1.25 Nc1cccc(c1N)OCC=O 34a_100000033209_200009817547 [0,2,0,0,0,0|1,0,0]=3 7841 B12R1.25 Nc1cccc(c1N)OCCF 34a_100000033209_100011217306 [0,2,0,0,0,0|1,0,1]=4 7842 B12R1.25 Nc1cccc(c1N)OCCO 34a_100000033209_100000211926 [0,2,0,0,0,0|1,0,1]=4 7843 B12R1.25 Nc1cccc(c1N)SCC=O 62a_100015191791_200015260668 [0,2,0,0,0,0|1,1,0]=4 7844 B12R1.25 Nc1cccc(c1O)SCC=O 62a_100011934915_200015260668 [0,2,0,0,0,0|1,1,0]=4 7845 B12R1.25 Nc1cccc(c1O)SCC=O 62a_200015260668_100010084371 [0,2,0,0,0,0|1,1,0]=4 7846 B12R1.25 Nc1ccnc(c1Cl)OCC=O 34a_200000093555_200009817547 [0,2,0,0,0,0|2,0,0]=4 7847 B12R1.25 O=CCNc1cccc(c1Br)Cl 34a_100000687072_200009817547 [0,2,0,0,0,0|2,0,0]=4 7848 B12R1.25 O=CCNc1cccc(c1Br)F 34a_100011934729_200009817547 [0,2,0,0,0,0|2,0,0]=4 7849 B12R1.25 O=CCNc1cccc(c1Br)O 34a_100012183704_200009817547 [0,2,0,0,0,0|2,0,0]=4 7850 B12R1.25 O=CCNc1cccc(c1Br)O 7a_100012183704_200015260668 [0,2,0,0,0,0|2,0,0]=4 7851 B12R1.25 O=CCNc1cccc(c1Cl)Br 34a_100000687075_200009817547 [0,2,0,0,0,0|2,0,0]=4 7852 B12R1.25 O=CCNc1cccc(c1Cl)Cl 34a_100000185733_200009817547 [0,2,0,0,0,0|2,0,0]=4 7853 B12R1.25 O=CCNc1cccc(c1Cl)F 34a_100000692321_200009817547 [0,2,0,0,0,0|2,0,0]=4 7854 B12R1.25 O=CCNc1cccc(c1Cl)O 34a_100012002038_200009817547 [0,2,0,0,0,0|2,0,0]=4 7855 B12R1.25 O=CCNc1cccc(c1Cl)O 7a_100012002038_200015260668 [0,2,0,0,0,0|2,0,0]=4 7856 B12R1.25 O=CCNc1cccc(c1F)Br 2230a_100011935091_200015260668 [0,2,0,0,0,0|2,0,0]=4 7857 B12R1.25 O=CCNc1cccc(c1F)Br 34a_100011935091_200009817547 [0,2,0,0,0,0|2,0,0]=4 7858 B12R1.25 O=CCNc1cccc(c1F)Cl 2230a_100000199060_200015260668 [0,2,0,0,0,0|2,0,0]=4 7859 B12R1.25 O=CCNc1cccc(c1F)Cl 34a_100000199060_200009817547 [0,2,0,0,0,0|2,0,0]=4 7860 B12R1.25 O=CCNc1cccc(c1F)F 34a_100000743855_200009817547 [0,2,0,0,0,0|2,0,0]=4 7861 B12R1.25 O=CCNc1cccc(c1I)Br 34a_100020590159_200009817547 [0,2,0,0,0,0|2,0,0]=4 7862 B12R1.25 O=CCNc1cccc(c1I)Cl 34a_100000049713_200009817547 [0,2,0,0,0,0|2,0,0]=4 7863 B12R1.25 O=CCNc1cccc(c1I)F 34a_100000690935_200009817547 [0,2,0,0,0,0|2,0,0]=4 7864 B12R1.25 O=CCNc1cccc(c1O)Br 34a_100011934915_200009817547 [0,2,0,0,0,0|2,0,0]=4 7865 B12R1.25 O=CCNc1cccc(c1O)Cl 34a_100000754742_200009817547 [0,2,0,0,0,0|2,0,0]=4 7866 B12R1.25 O=CCNc1cccc(c1O)F 34a_100011934987_200009817547 [0,2,0,0,0,0|2,0,0]=4 7867 B12R1.25 O=CCOc1cccc(c1Br)Br 34a_100010187966_200009817547 [0,2,0,0,0,0|1,0,0]=3 7868 B12R1.25 O=CCOc1cccc(c1Br)Br 7a_100010187966_200015260668 [0,2,0,0,0,0|1,0,0]=3 7869 B12R1.25 O=CCOc1cccc(c1Br)Cl 34a_100012348804_200009817547 [0,2,0,0,0,0|1,0,0]=3 7870 B12R1.25 O=CCOc1cccc(c1Br)Cl 7a_100012348804_200015260668 [0,2,0,0,0,0|1,0,0]=3 7871 B12R1.25 O=CCOc1cccc(c1Br)F 34a_100009820682_200009817547 [0,2,0,0,0,0|1,0,0]=3 7872 B12R1.25 O=CCOc1cccc(c1Br)F 7a_100009820682_200015260668 [0,2,0,0,0,0|1,0,0]=3 7873 B12R1.25 O=CCOc1cccc(c1Br)I 34a_100010187914_200009817547 [0,2,0,0,0,0|1,0,0]=3 7874 B12R1.25 O=CCOc1cccc(c1Br)I 7a_100010187914_200015260668 [0,2,0,0,0,0|1,0,0]=3 7875 B12R1.25 O=CCOc1cccc(c1Cl)Br 34a_100010187913_200009817547 [0,2,0,0,0,0|1,0,0]=3 7876 B12R1.25 O=CCOc1cccc(c1Cl)Br 7a_100010187913_200015260668 [0,2,0,0,0,0|1,0,0]=3 7877 B12R1.25 O=CCOc1cccc(c1Cl)Cl 34a_100000211076_200009817547 [0,2,0,0,0,0|1,0,0]=3 7878 B12R1.25 O=CCOc1cccc(c1Cl)Cl 7a_100000211076_200015260668 [0,2,0,0,0,0|1,0,0]=3 7879 B12R1.25 O=CCOc1cccc(c1Cl)F 34a_100000087408_200009817547 [0,2,0,0,0,0|1,0,0]=3 7880 B12R1.25 O=CCOc1cccc(c1Cl)F 7a_100000087408_200015260668 [0,2,0,0,0,0|1,0,0]=3 7881 B12R1.25 O=CCOc1cccc(c1Cl)I 34a_100000049636_200009817547 [0,2,0,0,0,0|1,0,0]=3 7882 B12R1.25 O=CCOc1cccc(c1Cl)I 7a_100000049636_200015260668 [0,2,0,0,0,0|1,0,0]=3 7883 B12R1.25 O=CCOc1cccc(c1F)Br 34a_100009817021_200009817547 [0,2,0,0,0,0|1,0,0]=3 7884 B12R1.25 O=CCOc1cccc(c1F)Br 7a_100009817021_200015260668 [0,2,0,0,0,0|1,0,0]=3 7885 B12R1.25 O=CCOc1cccc(c1F)Cl 34a_100000687438_200009817547 [0,2,0,0,0,0|1,0,0]=3 7886 B12R1.25 O=CCOc1cccc(c1F)Cl 7a_100000687438_200015260668 [0,2,0,0,0,0|1,0,0]=3 7887 B12R1.25 O=CCOc1cccc(c1F)F 34a_100000751161_200009817547 [0,2,0,0,0,0|1,0,0]=3 7888 B12R1.25 O=CCOc1cccc(c1F)F 7a_100000751161_200015260668 [0,2,0,0,0,0|1,0,0]=3 7889 B12R1.25 O=CCOc1cccc(c1I)Br 34a_100010187912_200009817547 [0,2,0,0,0,0|1,0,0]=3 7890 B12R1.25 O=CCOc1cccc(c1I)Br 7a_100010187912_200015260668 [0,2,0,0,0,0|1,0,0]=3 7891 B12R1.25 O=CCOc1cccc(c1I)Cl 34a_100000050174_200009817547 [0,2,0,0,0,0|1,0,0]=3 7892 B12R1.25 O=CCOc1cccc(c1I)Cl 7a_100000050174_200015260668 [0,2,0,0,0,0|1,0,0]=3 7893 B12R1.25 O=CCOc1cccc(c1I)F 34a_100000690913_200009817547 [0,2,0,0,0,0|1,0,0]=3 7894 B12R1.25 O=CCOc1cccc(c1I)F 7a_100000690913_200015260668 [0,2,0,0,0,0|1,0,0]=3 7895 B12R1.25 O=CCOc1ccnc(c1Br)Cl 34a_100010136240_200009817547 [0,2,0,0,0,0|2,0,0]=4 7896 B12R1.25 O=CCOc1ccnc(c1Cl)Cl 34a_100009860235_200009817547 [0,2,0,0,0,0|2,0,0]=4 7897 B12R1.25 O=CCOc1ccnc(c1F)Br 34a_100009876375_200009817547 [0,2,0,0,0,0|2,0,0]=4 7898 B12R1.25 O=CCOc1ccnc(c1F)Cl 34a_100009856406_200009817547 [0,2,0,0,0,0|2,0,0]=4 7899 B12R1.25 O=CCSc1cccc(c1Br)Br 62a_100010175083_200015260668 [0,2,0,0,0,0|1,1,0]=4 7900 B12R1.25 O=CCSc1cccc(c1Br)Br 62a_200015260668_100010175083 [0,2,0,0,0,0|1,1,0]=4 7901 B12R1.25 O=CCSc1cccc(c1Br)Cl 62a_100014021842_200015260668 [0,2,0,0,0,0|1,1,0]=4 7902 B12R1.25 O=CCSc1cccc(c1Br)Cl 62a_200015260668_100014021842 [0,2,0,0,0,0|1,1,0]=4 7903 B12R1.25 O=CCSc1cccc(c1Br)F 62a_100010202630_200015260668 [0,2,0,0,0,0|1,1,0]=4 7904 B12R1.25 O=CCSc1cccc(c1Br)F 62a_200015260668_100010202630 [0,2,0,0,0,0|1,1,0]=4 7905 B12R1.25 O=CCSc1cccc(c1Br)O 62a_100010187914_200015260668 [0,2,0,0,0,0|1,1,0]=4 7906 B12R1.25 O=CCSc1cccc(c1Br)O 62a_200015260668_100010187914 [0,2,0,0,0,0|1,1,0]=4 7907 B12R1.25 O=CCSc1cccc(c1Cl)Br 62a_100010142854_200015260668 [0,2,0,0,0,0|1,1,0]=4 7908 B12R1.25 O=CCSc1cccc(c1Cl)Br 62a_200015260668_100010142854 [0,2,0,0,0,0|1,1,0]=4 7909 B12R1.25 O=CCSc1cccc(c1Cl)Cl 62a_100011215384_200015260668 [0,2,0,0,0,0|1,1,0]=4 7910 B12R1.25 O=CCSc1cccc(c1Cl)Cl 62a_200015260668_100011215384 [0,2,0,0,0,0|1,1,0]=4 7911 B12R1.25 O=CCSc1cccc(c1Cl)F 62a_200010234923_200015260668 [0,2,0,0,0,0|1,1,0]=4 7912 B12R1.25 O=CCSc1cccc(c1Cl)F 62a_200015260668_200010234923 [0,2,0,0,0,0|1,1,0]=4 7913 B12R1.25 O=CCSc1cccc(c1Cl)O 62a_200015260668_100000049636 [0,2,0,0,0,0|1,1,0]=4 7914 B12R1.25 O=CCSc1cccc(c1F)Br 62a_100000702267_200015260668 [0,2,0,0,0,0|1,1,0]=4 7915 B12R1.25 O=CCSc1cccc(c1F)Br 62a_200015260668_100000702267 [0,2,0,0,0,0|1,1,0]=4 7916 B12R1.25 O=CCSc1cccc(c1F)Cl 62a_100011217346_200015260668 [0,2,0,0,0,0|1,1,0]=4 7917 B12R1.25 O=CCSc1cccc(c1F)Cl 62a_200015260668_100011217346 [0,2,0,0,0,0|1,1,0]=4 7918 B12R1.25 O=CCSc1cccc(c1F)F 62a_100000694657_200015260668 [0,2,0,0,0,0|1,1,0]=4 7919 B12R1.25 O=CCSc1cccc(c1F)F 62a_200015260668_100000694657 [0,2,0,0,0,0|1,1,0]=4 7920 B12R1.25 O=CCSc1cccc(c1F)O 62a_100009817021_200015260668 [0,2,0,0,0,0|1,1,0]=4 7921 B12R1.25 O=CCSc1cccc(c1F)O 62a_200015260668_100009817021 [0,2,0,0,0,0|1,1,0]=4 7922 B12R1.25 O=CCSc1cccc(c1O)Br 62a_100010084509_200015260668 [0,2,0,0,0,0|1,1,0]=4 7923 B12R1.25 O=CCSc1cccc(c1O)Br 62a_200015260668_100010084509 [0,2,0,0,0,0|1,1,0]=4 7924 B12R1.25 O=CCSc1cccc(c1O)Cl 62a_100010202889_200015260668 [0,2,0,0,0,0|1,1,0]=4 7925 B12R1.25 O=CCSc1cccc(c1O)Cl 62a_200015260668_100010202889 [0,2,0,0,0,0|1,1,0]=4 7926 B12R1.25 O=CCSc1cccc(c1O)F 62a_100009813666_200015260668 [0,2,0,0,0,0|1,1,0]=4 7927 B12R1.25 O=CCSc1cccc(c1O)F 62a_200015260668_100009813666 [0,2,0,0,0,0|1,1,0]=4 7928 B12R1.25 O=CCSc1cccc(c1O)O 62a_200015260668_100009815950 [0,2,0,0,0,0|1,1,0]=4 7929 B12R1.25 OCCOc1cccc(c1Br)Br 34a_100010187966_100000211926 [0,2,0,0,0,0|1,0,1]=4 7930 B12R1.25 OCCOc1cccc(c1Br)Br 7a_100010187966_100000211926 [0,2,0,0,0,0|1,0,1]=4 7931 B12R1.25 OCCOc1cccc(c1Br)Cl 34a_100012348804_100000211926 [0,2,0,0,0,0|1,0,1]=4 7932 B12R1.25 OCCOc1cccc(c1Br)Cl 7a_100012348804_100000211926 [0,2,0,0,0,0|1,0,1]=4 7933 B12R1.25 OCCOc1cccc(c1Br)F 34a_100009820682_100000211926 [0,2,0,0,0,0|1,0,1]=4 7934 B12R1.25 OCCOc1cccc(c1Br)F 7a_100009820682_100000211926 [0,2,0,0,0,0|1,0,1]=4 7935 B12R1.25 OCCOc1cccc(c1Br)I 34a_100010187914_100000211926 [0,2,0,0,0,0|1,0,1]=4 7936 B12R1.25 OCCOc1cccc(c1Br)I 7a_100010187914_100000211926 [0,2,0,0,0,0|1,0,1]=4 7937 B12R1.25 OCCOc1cccc(c1Cl)Br 34a_100010187913_100000211926 [0,2,0,0,0,0|1,0,1]=4 7938 B12R1.25 OCCOc1cccc(c1Cl)Br 7a_100010187913_100000211926 [0,2,0,0,0,0|1,0,1]=4 7939 B12R1.25 OCCOc1cccc(c1Cl)Cl 34a_100000211076_100000211926 [0,2,0,0,0,0|1,0,1]=4 7940 B12R1.25 OCCOc1cccc(c1Cl)Cl 7a_100000211076_100000211926 [0,2,0,0,0,0|1,0,1]=4 7941 B12R1.25 OCCOc1cccc(c1Cl)F 34a_100000087408_100000211926 [0,2,0,0,0,0|1,0,1]=4 7942 B12R1.25 OCCOc1cccc(c1Cl)F 7a_100000087408_100000211926 [0,2,0,0,0,0|1,0,1]=4 7943 B12R1.25 OCCOc1cccc(c1Cl)I 34a_100000049636_100000211926 [0,2,0,0,0,0|1,0,1]=4 7944 B12R1.25 OCCOc1cccc(c1Cl)I 7a_100000049636_100000211926 [0,2,0,0,0,0|1,0,1]=4 7945 B12R1.25 OCCOc1cccc(c1F)Br 34a_100009817021_100000211926 [0,2,0,0,0,0|1,0,1]=4 7946 B12R1.25 OCCOc1cccc(c1F)Br 7a_100009817021_100000211926 [0,2,0,0,0,0|1,0,1]=4 7947 B12R1.25 OCCOc1cccc(c1F)Cl 34a_100000687438_100000211926 [0,2,0,0,0,0|1,0,1]=4 7948 B12R1.25 OCCOc1cccc(c1F)Cl 7a_100000687438_100000211926 [0,2,0,0,0,0|1,0,1]=4 7949 B12R1.25 OCCOc1cccc(c1F)F 34a_100000751161_100000211926 [0,2,0,0,0,0|1,0,1]=4 7950 B12R1.25 OCCOc1cccc(c1F)F 7a_100000751161_100000211926 [0,2,0,0,0,0|1,0,1]=4 7951 B12R1.25 OCCOc1cccc(c1I)Br 34a_100010187912_100000211926 [0,2,0,0,0,0|1,0,1]=4 7952 B12R1.25 OCCOc1cccc(c1I)Br 7a_100010187912_100000211926 [0,2,0,0,0,0|1,0,1]=4 7953 B12R1.25 OCCOc1cccc(c1I)Cl 34a_100000050174_100000211926 [0,2,0,0,0,0|1,0,1]=4 7954 B12R1.25 OCCOc1cccc(c1I)Cl 7a_100000050174_100000211926 [0,2,0,0,0,0|1,0,1]=4 7955 B12R1.25 OCCOc1cccc(c1I)F 34a_100000690913_100000211926 [0,2,0,0,0,0|1,0,1]=4 7956 B12R1.25 OCCOc1cccc(c1I)F 7a_100000690913_100000211926 [0,2,0,0,0,0|1,0,1]=4 7957 B12R1.121 C#CCOc1ccccc1C#C 34a_200011470546_100000184674 [0,2,0,0,0,0|0,0,2]=4 7958 B12R1.121 C#CCOc1ccccc1C#C 7a_200011470546_100000038162 [0,2,0,0,0,0|0,0,2]=4 7959 B12R1.121 C#CCOc1ccccc1C#N 34a_100000211048_100000184674 [0,2,0,0,0,0|0,0,2]=4 7960 B12R1.121 C#CCOc1ccccc1C#N 7a_100000211048_100000038162 [0,2,0,0,0,0|0,0,2]=4 7961 B12R1.121 C#CCOc1ccccc1CC 34a_100000210936_100000184674 [0,2,0,0,0,0|0,0,2]=4 7962 B12R1.121 C#CCOc1ccccc1CC 7a_100000210936_100000038162 [0,2,0,0,0,0|0,0,2]=4 7963 B12R1.121 C#CCOc1ccccc1CN 34a_100000185550_100000184674 [0,2,0,0,0,0|0,0,2]=4 7964 B12R1.121 C#CCOc1ccccc1CO 34a_100011216872_100000184674 [0,2,0,0,0,0|0,0,2]=4 7965 B12R1.121 C#CCOc1ccccc1NC 34a_100000033821_100000184674 [0,2,0,0,0,0|0,0,2]=4 7966 B12R1.121 C#CCOc1ccccc1NC 34a_100000707309_200000210301 [0,2,0,0,0,0|0,0,2]=4 7967 B12R1.121 C#CCOc1ccccc1N[13CH3] 34a_100000707309_200025704644 [0,2,0,0,0,0|0,0,2]=4 7968 B12R1.121 C#CCOc1ccccc1OC 34a_100000210385_100000184674 [0,2,0,0,0,0|0,0,2]=4 7969 B12R1.121 C#CCOc1ccccc1SC 34a_100011216402_100000184674 [0,2,0,0,0,0|0,0,2]=4 7970 B12R1.121 C#Cc1ccccc1NCC=C 34a_100011470550_100015514636 [0,2,0,0,0,0|1,0,0]=3 7971 B12R1.121 C#Cc1ccccc1NCC=O 34a_100011470550_200009817547 [0,2,0,0,0,0|2,0,0]=4 7972 B12R1.121 C#Cc1ccccc1OCC#N 7a_200011470546_100011215382 [0,2,0,0,0,0|1,0,1]=4 7973 B12R1.121 C#Cc1ccccc1OCC=C 34a_200011470546_100015514636 [0,2,0,0,0,0|0,0,0]=2 7974 B12R1.121 C#Cc1ccccc1OCC=C 7a_200011470546_100015514636 [0,2,0,0,0,0|0,0,0]=2 7975 B12R1.121 C#Cc1ccccc1OCC=O 34a_200011470546_200009817547 [0,2,0,0,0,0|1,0,0]=3 7976 B12R1.121 C#Cc1ccccc1OCC=O 7a_200011470546_200015260668 [0,2,0,0,0,0|1,0,0]=3 7977 B12R1.121 C#Cc1ccccc1OCCC 34a_200011470546_100000210303 [0,2,0,0,0,0|0,0,2]=4 7978 B12R1.121 C#Cc1ccccc1OCCC 7a_200011470546_100000210303 [0,2,0,0,0,0|0,0,2]=4 7979 B12R1.121 C#Cc1ccccc1OCCF 34a_200011470546_100011217306 [0,2,0,0,0,0|1,0,1]=4 7980 B12R1.121 C#Cc1ccccc1OCCF 7a_200011470546_100011217306 [0,2,0,0,0,0|1,0,1]=4 7981 B12R1.121 C#Cc1ccccc1OCCO 34a_200011470546_100000211926 [0,2,0,0,0,0|1,0,1]=4 7982 B12R1.121 C#Cc1ccccc1OCCO 7a_200011470546_100000211926 [0,2,0,0,0,0|1,0,1]=4 7983 B12R1.121 C#Cc1ccccc1OCSC 34a_200011470546_100011218213 [0,2,0,0,0,0|1,0,1]=4 7984 B12R1.121 C=CCNc1ccccc1C#N 34a_100000211148_100015514636 [0,2,0,0,0,0|1,0,0]=3 7985 B12R1.121 C=CCNc1ccccc1C=C 34a_100012022501_100015514636 [0,2,0,0,0,0|1,0,0]=3 7986 B12R1.121 C=CCNc1ccccc1CC 2230a_100000212081_100000210623 [0,2,0,0,0,0|1,0,0]=3 7987 B12R1.121 C=CCNc1ccccc1CC 34a_100000212081_100015514636 [0,2,0,0,0,0|1,0,0]=3 7988 B12R1.121 C=CCNc1ccccc1CC 7a_100000212081_100015514636 [0,2,0,0,0,0|1,0,0]=3 7989 B12R1.121 C=CCNc1ccccc1CO 34a_100000212039_100015514636 [0,2,0,0,0,0|1,0,0]=3 7990 B12R1.121 C=CCNc1ccccc1OC 34a_100000210025_100015514636 [0,2,0,0,0,0|1,0,0]=3 7991 B12R1.121 C=CCNc1ccccc1SC 34a_100000211160_100015514636 [0,2,0,0,0,0|1,0,0]=3 7992 B12R1.121 C=CCNc1ccncc1C#N 27a_100020586998_100000687039 [0,2,0,0,0,0|2,0,0]=4 7993 B12R1.121 C=CCNc1ccncc1CO 27a_100020586998_100000117392 [0,2,0,0,0,0|2,0,0]=4 7994 B12R1.121 C=CCNc1cnccc1C#N 27a_100020586998_100000684818 [0,2,0,0,0,0|2,0,0]=4 7995 B12R1.121 C=CCNc1ncccc1C#N 27a_100020586998_100000211984 [0,2,0,0,0,0|2,0,0]=4 7996 B12R1.121 C=CCOc1ccccc1C#N 34a_100000211048_100015514636 [0,2,0,0,0,0|0,0,0]=2 7997 B12R1.121 C=CCOc1ccccc1C#N 7a_100000211048_100015514636 [0,2,0,0,0,0|0,0,0]=2 7998 B12R1.121 C=CCOc1ccccc1CC 34a_100000210936_100015514636 [0,2,0,0,0,0|0,0,0]=2 7999 B12R1.121 C=CCOc1ccccc1CC 7a_100000210936_100015514636 [0,2,0,0,0,0|0,0,0]=2 8000 B12R1.121 C=CCOc1ccccc1CN 34a_100000185550_100015514636 [0,2,0,0,0,0|0,0,0]=2 8001 B12R1.121 C=CCOc1ccccc1CO 34a_100011216872_100015514636 [0,2,0,0,0,0|0,0,0]=2 8002 B12R1.121 C=CCOc1ccccc1NC 34a_100000033821_100015514636 [0,2,0,0,0,0|0,0,0]=2 8003 B12R1.121 C=CCOc1ccccc1OC 34a_100000210385_100015514636 [0,2,0,0,0,0|0,0,0]=2 8004 B12R1.121 C=CCOc1ccccc1OC 34a_200011262142_200000210301 [0,2,0,0,0,0|0,0,0]=2 8005 B12R1.121 C=CCOc1ccccc1OC 7a_200011262142_200000210301 [0,2,0,0,0,0|0,0,0]=2 8006 B12R1.121 C=CCOc1ccccc1O[13CH3] 34a_200011262142_200025704644 [0,2,0,0,0,0|0,0,0]=2 8007 B12R1.121 C=CCOc1ccccc1O[13CH3] 7a_200011262142_200025704644 [0,2,0,0,0,0|0,0,0]=2 8008 B12R1.121 C=CCOc1ccccc1SC 34a_100011216402_100015514636 [0,2,0,0,0,0|0,0,0]=2 8009 B12R1.121 C=CCOc1cccnc1C#N 34a_100000722750_100015514636 [0,2,0,0,0,0|1,0,0]=3 8010 B12R1.121 C=CCOc1cccnc1C#N 7a_100000722750_100015514636 [0,2,0,0,0,0|1,0,0]=3 8011 B12R1.121 C=CCOc1cccnc1CBr 34a_200020655725_100015514636 [0,2,0,0,0,0|1,0,0]=3 8012 B12R1.121 C=CCOc1cccnc1CBr 7a_200020655725_100015514636 [0,2,0,0,0,0|1,0,0]=3 8013 B12R1.121 C=CCOc1cccnc1CO 34a_100000731849_100015514636 [0,2,0,0,0,0|1,0,0]=3 8014 B12R1.121 C=CCOc1cccnc1OC 34a_100000698397_100015514636 [0,2,0,0,0,0|1,0,0]=3 8015 B12R1.121 C=CCOc1cccnc1OC 7a_100000698397_100015514636 [0,2,0,0,0,0|1,0,0]=3 8016 B12R1.121 C=CCOc1cnccc1C#N 7a_100012181322_100015514636 [0,2,0,0,0,0|1,0,0]=3 8017 B12R1.121 C=CCOc1cnccc1CO 34a_100000078615_100015514636 [0,2,0,0,0,0|1,0,0]=3 8018 B12R1.121 C=CCOc1cnccc1OC 34a_100000101186_100015514636 [0,2,0,0,0,0|1,0,0]=3 8019 B12R1.121 C=CCOc1ncccc1OC 34a_100025773188_100015514636 [0,2,0,0,0,0|1,0,0]=3 8020 B12R1.121 C=CCSc1ccccc1C#N 62a_100000210623_100000188569 [0,2,0,0,0,0|0,1,0]=3 8021 B12R1.121 C=CCSc1ccccc1C=C 62a_100000210623_100011218376 [0,2,0,0,0,0|0,1,0]=3 8022 B12R1.121 C=CCSc1ccccc1C=C 62a_100011218376_100000210623 [0,2,0,0,0,0|0,1,0]=3 8023 B12R1.121 C=CCSc1ccccc1C=O 62a_100000210073_100000210623 [0,2,0,0,0,0|0,1,0]=3 8024 B12R1.121 C=CCSc1ccccc1C=O 62a_100000210623_100000210073 [0,2,0,0,0,0|0,1,0]=3 8025 B12R1.121 C=CCSc1ccccc1CC 62a_100000210623_100011215823 [0,2,0,0,0,0|0,1,0]=3 8026 B12R1.121 C=CCSc1ccccc1CC 62a_100011215823_100000210623 [0,2,0,0,0,0|0,1,0]=3 8027 B12R1.121 C=CCSc1ccccc1CN 62a_100000210623_100000689332 [0,2,0,0,0,0|0,1,0]=3 8028 B12R1.121 C=CCSc1ccccc1CN 62a_100000689332_100000210623 [0,2,0,0,0,0|0,1,0]=3 8029 B12R1.121 C=CCSc1ccccc1CO 62a_100000187465_100000210623 [0,2,0,0,0,0|0,1,0]=3 8030 B12R1.121 C=CCSc1ccccc1CO 62a_100000210623_100000187465 [0,2,0,0,0,0|0,1,0]=3 8031 B12R1.121 C=CCSc1ccccc1NC 2230a_100000198565_200000210301 [0,2,0,0,0,0|0,1,0]=3 8032 B12R1.121 C=CCSc1ccccc1NC 62a_100000210623_100020606079 [0,2,0,0,0,0|0,1,0]=3 8033 B12R1.121 C=CCSc1ccccc1NC 62a_100020606079_100000210623 [0,2,0,0,0,0|0,1,0]=3 8034 B12R1.121 C=CCSc1ccccc1NC 7a_100000198565_200000210301 [0,2,0,0,0,0|0,1,0]=3 8035 B12R1.121 C=CCSc1ccccc1NN 62a_100000210623_100000241748 [0,2,0,0,0,0|0,1,0]=3 8036 B12R1.121 C=CCSc1ccccc1NN 62a_100000241748_100000210623 [0,2,0,0,0,0|0,1,0]=3 8037 B12R1.121 C=CCSc1ccccc1N[13CH3] 2230a_100000198565_200025704644 [0,2,0,0,0,0|0,1,0]=3 8038 B12R1.121 C=CCSc1ccccc1N[13CH3] 7a_100000198565_200025704644 [0,2,0,0,0,0|0,1,0]=3 8039 B12R1.121 C=CCSc1ccccc1OC 62a_100000210334_100000210623 [0,2,0,0,0,0|0,1,0]=3 8040 B12R1.121 C=CCSc1ccccc1OC 62a_100000210623_100000210334 [0,2,0,0,0,0|0,1,0]=3 8041 B12R1.121 C=CCSc1ccccc1SC 62a_100000210623_100011217816 [0,2,0,0,0,0|0,1,0]=3 8042 B12R1.121 C=CCSc1ccccc1SC 62a_100011217816_100000210623 [0,2,0,0,0,0|0,1,0]=3 8043 B12R1.121 C=CCSc1cccnc1C#N 62a_100000210623_100000685805 [0,2,0,0,0,0|1,1,0]=4 8044 B12R1.121 C=CCSc1cccnc1C=O 62a_100000210623_100011934733 [0,2,0,0,0,0|1,1,0]=4 8045 B12R1.121 C=CCSc1cccnc1C=O 62a_100011934733_100000210623 [0,2,0,0,0,0|1,1,0]=4 8046 B12R1.121 C=CCSc1cccnc1CC 62a_100000210623_100009877225 [0,2,0,0,0,0|1,1,0]=4 8047 B12R1.121 C=CCSc1cccnc1CC 62a_100009877225_100000210623 [0,2,0,0,0,0|1,1,0]=4 8048 B12R1.121 C=CCSc1cccnc1CN 62a_100000210623_100020591323 [0,2,0,0,0,0|1,1,0]=4 8049 B12R1.121 C=CCSc1cccnc1CN 62a_100020591323_100000210623 [0,2,0,0,0,0|1,1,0]=4 8050 B12R1.121 C=CCSc1cccnc1CO 62a_100000210623_100011996772 [0,2,0,0,0,0|1,1,0]=4 8051 B12R1.121 C=CCSc1cccnc1CO 62a_100011996772_100000210623 [0,2,0,0,0,0|1,1,0]=4 8052 B12R1.121 C=CCSc1cccnc1NC 62a_100000210623_100000700899 [0,2,0,0,0,0|1,1,0]=4 8053 B12R1.121 C=CCSc1cccnc1NC 62a_100000700899_100000210623 [0,2,0,0,0,0|1,1,0]=4 8054 B12R1.121 C=CCSc1cccnc1NN 62a_100000210623_100011464834 [0,2,0,0,0,0|1,1,0]=4 8055 B12R1.121 C=CCSc1cccnc1NN 62a_100011464834_100000210623 [0,2,0,0,0,0|1,1,0]=4 8056 B12R1.121 C=CCSc1cccnc1OC 62a_100000047025_100000210623 [0,2,0,0,0,0|1,1,0]=4 8057 B12R1.121 C=CCSc1cccnc1OC 62a_100000210623_100000047025 [0,2,0,0,0,0|1,1,0]=4 8058 B12R1.121 C=CCSc1cccnc1SC 62a_100000210623_100011465278 [0,2,0,0,0,0|1,1,0]=4 8059 B12R1.121 C=CCSc1cccnc1SC 62a_100011465278_100000210623 [0,2,0,0,0,0|1,1,0]=4 8060 B12R1.121 C=CCSc1ccncc1C#N 62a_100000210623_100000687039 [0,2,0,0,0,0|1,1,0]=4 8061 B12R1.121 C=CCSc1ccncc1C=O 62a_100000050567_100000210623 [0,2,0,0,0,0|1,1,0]=4 8062 B12R1.121 C=CCSc1ccncc1C=O 62a_100000210623_100000050567 [0,2,0,0,0,0|1,1,0]=4 8063 B12R1.121 C=CCSc1ccncc1CC 62a_100000210623_100025704421 [0,2,0,0,0,0|1,1,0]=4 8064 B12R1.121 C=CCSc1ccncc1CC 62a_100025704421_100000210623 [0,2,0,0,0,0|1,1,0]=4 8065 B12R1.121 C=CCSc1ccncc1CO 62a_100000117392_100000210623 [0,2,0,0,0,0|1,1,0]=4 8066 B12R1.121 C=CCSc1ccncc1CO 62a_100000210623_100000117392 [0,2,0,0,0,0|1,1,0]=4 8067 B12R1.121 C=CCSc1ccncc1OC 62a_100000210623_100016988167 [0,2,0,0,0,0|1,1,0]=4 8068 B12R1.121 C=CCSc1ccncc1OC 62a_100016988167_100000210623 [0,2,0,0,0,0|1,1,0]=4 8069 B12R1.121 C=CCSc1cnccc1C#N 62a_100000210623_100000684818 [0,2,0,0,0,0|1,1,0]=4 8070 B12R1.121 C=CCSc1cnccc1C=O 62a_100000210623_100011934409 [0,2,0,0,0,0|1,1,0]=4 8071 B12R1.121 C=CCSc1cnccc1C=O 62a_100011934409_100000210623 [0,2,0,0,0,0|1,1,0]=4 8072 B12R1.121 C=CCSc1cnccc1CC 62a_100000210623_100009819861 [0,2,0,0,0,0|1,1,0]=4 8073 B12R1.121 C=CCSc1cnccc1CC 62a_100009819861_100000210623 [0,2,0,0,0,0|1,1,0]=4 8074 B12R1.121 C=CCSc1cnccc1CN 62a_100000210623_100020640021 [0,2,0,0,0,0|1,1,0]=4 8075 B12R1.121 C=CCSc1cnccc1CN 62a_100020640021_100000210623 [0,2,0,0,0,0|1,1,0]=4 8076 B12R1.121 C=CCSc1cnccc1CO 62a_100000210623_100009873359 [0,2,0,0,0,0|1,1,0]=4 8077 B12R1.121 C=CCSc1cnccc1CO 62a_100009873359_100000210623 [0,2,0,0,0,0|1,1,0]=4 8078 B12R1.121 C=CCSc1cnccc1NC 62a_100000210623_100010069531 [0,2,0,0,0,0|1,1,0]=4 8079 B12R1.121 C=CCSc1cnccc1NC 62a_100010069531_100000210623 [0,2,0,0,0,0|1,1,0]=4 8080 B12R1.121 C=CCSc1cnccc1NN 62a_100000210623_100013404636 [0,2,0,0,0,0|1,1,0]=4 8081 B12R1.121 C=CCSc1cnccc1NN 62a_100013404636_100000210623 [0,2,0,0,0,0|1,1,0]=4 8082 B12R1.121 C=CCSc1cnccc1OC 62a_100000210623_100011997281 [0,2,0,0,0,0|1,1,0]=4 8083 B12R1.121 C=CCSc1cnccc1OC 62a_100011997281_100000210623 [0,2,0,0,0,0|1,1,0]=4 8084 B12R1.121 C=CCSc1ncccc1C#N 62a_100000210623_100000211984 [0,2,0,0,0,0|1,1,0]=4 8085 B12R1.121 C=CCSc1ncccc1C=O 62a_100000210623_100009816751 [0,2,0,0,0,0|1,1,0]=4 8086 B12R1.121 C=CCSc1ncccc1C=O 62a_100009816751_100000210623 [0,2,0,0,0,0|1,1,0]=4 8087 B12R1.121 C=CCSc1ncccc1CN 62a_100000210623_100015189234 [0,2,0,0,0,0|1,1,0]=4 8088 B12R1.121 C=CCSc1ncccc1CN 62a_100015189234_100000210623 [0,2,0,0,0,0|1,1,0]=4 8089 B12R1.121 C=CCSc1ncccc1CO 62a_100000210623_100000748726 [0,2,0,0,0,0|1,1,0]=4 8090 B12R1.121 C=CCSc1ncccc1CO 62a_100000748726_100000210623 [0,2,0,0,0,0|1,1,0]=4 8091 B12R1.121 C=CCSc1ncccc1NC 62a_100000210623_200011806188 [0,2,0,0,0,0|1,1,0]=4 8092 B12R1.121 C=CCSc1ncccc1OC 62a_100000210623_100000690851 [0,2,0,0,0,0|1,1,0]=4 8093 B12R1.121 C=CCSc1ncccc1OC 62a_100000767102_100000210623 [0,2,0,0,0,0|1,1,0]=4 8094 B12R1.121 C=Cc1ccccc1CCC=O 271570a_100011290941_100011713448 [0,2,0,0,0,0|2,0,0]=4 8095 B12R1.121 C=Cc1ccccc1NCC=O 34a_100012022501_200009817547 [0,2,0,0,0,0|2,0,0]=4 8096 B12R1.121 C=Cc1ccccc1OCC#N 271570a_100011290941_200000173881 [0,2,0,0,0,0|1,0,1]=4 8097 B12R1.121 C=Cc1ccccc1OCCC 271570a_100011290941_100000174042 [0,2,0,0,0,0|0,0,2]=4 8098 B12R1.121 C=Cc1ccccc1OCCN 271570a_100011290941_100000744007 [0,2,0,0,0,0|1,0,1]=4 8099 B12R1.121 C=Cc1ccccc1OCCO 271570a_100011290941_100000230753 [0,2,0,0,0,0|1,0,1]=4 8100 B12R1.121 C=Cc1ccccc1OCOC 271570a_100011290941_200000230759 [0,2,0,0,0,0|1,0,1]=4 8101 B12R1.121 C=Cc1ccccc1SCC=O 62a_100011218376_200015260668 [0,2,0,0,0,0|1,1,0]=4 8102 B12R1.121 C=Cc1ccccc1SCC=O 62a_200015260668_100011218376 [0,2,0,0,0,0|1,1,0]=4 8103 B12R1.121 CCCOc1ccccc1C#N 34a_100000211048_100000210303 [0,2,0,0,0,0|0,0,2]=4 8104 B12R1.121 CCCOc1ccccc1C#N 7a_100000211048_100000210303 [0,2,0,0,0,0|0,0,2]=4 8105 B12R1.121 CCCOc1ccccc1CC 34a_100000210936_100000210303 [0,2,0,0,0,0|0,0,2]=4 8106 B12R1.121 CCCOc1ccccc1CC 7a_100000210936_100000210303 [0,2,0,0,0,0|0,0,2]=4 8107 B12R1.121 CCCOc1ccccc1CN 34a_100000185550_100000210303 [0,2,0,0,0,0|0,0,2]=4 8108 B12R1.121 CCCOc1ccccc1CO 34a_100011216872_100000210303 [0,2,0,0,0,0|0,0,2]=4 8109 B12R1.121 CCCOc1ccccc1NC 27a_100102657272_100000174042 [0,2,0,0,0,0|0,0,2]=4 8110 B12R1.121 CCCOc1ccccc1NC 34a_100000033821_100000210303 [0,2,0,0,0,0|0,0,2]=4 8111 B12R1.121 CCCOc1ccccc1NC 34a_100000683936_200000210301 [0,2,0,0,0,0|0,0,2]=4 8112 B12R1.121 CCCOc1ccccc1N[13CH3] 34a_100000683936_200025704644 [0,2,0,0,0,0|0,0,2]=4 8113 B12R1.121 CCCOc1ccccc1OC 34a_100000180214_200000210301 [0,2,0,0,0,0|0,0,2]=4 8114 B12R1.121 CCCOc1ccccc1OC 34a_100000210385_100000210303 [0,2,0,0,0,0|0,0,2]=4 8115 B12R1.121 CCCOc1ccccc1OC 7a_100000180214_200000210301 [0,2,0,0,0,0|0,0,2]=4 8116 B12R1.121 CCCOc1ccccc1O[13CH3] 34a_100000180214_200025704644 [0,2,0,0,0,0|0,0,2]=4 8117 B12R1.121 CCCOc1ccccc1O[13CH3] 7a_100000180214_200025704644 [0,2,0,0,0,0|0,0,2]=4 8118 B12R1.121 CCCOc1ccccc1SC 34a_100011216402_100000210303 [0,2,0,0,0,0|0,0,2]=4 8119 B12R1.121 CCCOc1ccccc1SC 62a_100000174042_200000210301 [0,2,0,0,0,0|0,0,2]=4 8120 B12R1.121 CCCOc1ccccc1SC 62a_200000210301_100000174042 [0,2,0,0,0,0|0,0,2]=4 8121 B12R1.121 CCCOc1ccccc1S[13CH3] 62a_100000174042_200025704644 [0,2,0,0,0,0|0,0,2]=4 8122 B12R1.121 CCCOc1ccccc1S[13CH3] 62a_200025704644_100000174042 [0,2,0,0,0,0|0,0,2]=4 8123 B12R1.121 CCc1ccccc1NCC=O 2230a_100000212081_200015260668 [0,2,0,0,0,0|2,0,0]=4 8124 B12R1.121 CCc1ccccc1NCC=O 34a_100000212081_200009817547 [0,2,0,0,0,0|2,0,0]=4 8125 B12R1.121 CCc1ccccc1NCC=O 7a_100000212081_200015260668 [0,2,0,0,0,0|2,0,0]=4 8126 B12R1.121 CCc1ccccc1OCC#N 7a_100000210936_100011215382 [0,2,0,0,0,0|1,0,1]=4 8127 B12R1.121 CCc1ccccc1OCC=O 34a_100000210936_200009817547 [0,2,0,0,0,0|1,0,0]=3 8128 B12R1.121 CCc1ccccc1OCC=O 7a_100000210936_200015260668 [0,2,0,0,0,0|1,0,0]=3 8129 B12R1.121 CCc1ccccc1OCCF 34a_100000210936_100011217306 [0,2,0,0,0,0|1,0,1]=4 8130 B12R1.121 CCc1ccccc1OCCF 7a_100000210936_100011217306 [0,2,0,0,0,0|1,0,1]=4 8131 B12R1.121 CCc1ccccc1OCCO 34a_100000210936_100000211926 [0,2,0,0,0,0|1,0,1]=4 8132 B12R1.121 CCc1ccccc1OCCO 7a_100000210936_100000211926 [0,2,0,0,0,0|1,0,1]=4 8133 B12R1.121 CCc1ccccc1OCSC 34a_100000210936_100011218213 [0,2,0,0,0,0|1,0,1]=4 8134 B12R1.121 CCc1ccccc1SCC=O 62a_100011215823_200015260668 [0,2,0,0,0,0|1,1,0]=4 8135 B12R1.121 CCc1ccccc1SCC=O 62a_200015260668_100011215823 [0,2,0,0,0,0|1,1,0]=4 8136 B12R1.121 CNc1ccccc1OCC=O 34a_100000033821_200009817547 [0,2,0,0,0,0|1,0,0]=3 8137 B12R1.121 CNc1ccccc1OCCF 34a_100000033821_100011217306 [0,2,0,0,0,0|1,0,1]=4 8138 B12R1.121 CNc1ccccc1OCCF 34a_100012000959_200000210301 [0,2,0,0,0,0|1,0,1]=4 8139 B12R1.121 CNc1ccccc1OCCO 34a_100000033821_100000211926 [0,2,0,0,0,0|1,0,1]=4 8140 B12R1.121 CNc1ccccc1OCCO 34a_100132302172_200000210301 [0,2,0,0,0,0|1,0,1]=4 8141 B12R1.121 CNc1ccccc1OCSC 34a_100000033821_100011218213 [0,2,0,0,0,0|1,0,1]=4 8142 B12R1.121 CNc1ccccc1SCC=O 62a_100020606079_200015260668 [0,2,0,0,0,0|1,1,0]=4 8143 B12R1.121 CNc1ccccc1SCC=O 62a_200015260668_100020606079 [0,2,0,0,0,0|1,1,0]=4 8144 B12R1.121 COCOc1ccccc1SC 62a_200000210301_200000230759 [0,2,0,0,0,0|1,0,1]=4 8145 B12R1.121 COCOc1ccccc1SC 62a_200000230759_200000210301 [0,2,0,0,0,0|1,0,1]=4 8146 B12R1.121 COCOc1ccccc1S[13CH3] 62a_200000230759_200025704644 [0,2,0,0,0,0|1,0,1]=4 8147 B12R1.121 COCOc1ccccc1S[13CH3] 62a_200025704644_200000230759 [0,2,0,0,0,0|1,0,1]=4 8148 B12R1.121 COc1ccccc1NCC=O 34a_100000210025_200009817547 [0,2,0,0,0,0|2,0,0]=4 8149 B12R1.121 COc1ccccc1OCC=O 34a_100000210385_200009817547 [0,2,0,0,0,0|1,0,0]=3 8150 B12R1.121 COc1ccccc1OCCF 34a_100000210385_100011217306 [0,2,0,0,0,0|1,0,1]=4 8151 B12R1.121 COc1ccccc1OCCO 34a_100000181789_200000210301 [0,2,0,0,0,0|1,0,1]=4 8152 B12R1.121 COc1ccccc1OCCO 34a_100000210385_100000211926 [0,2,0,0,0,0|1,0,1]=4 8153 B12R1.121 COc1ccccc1OCCO 7a_100000181789_200000210301 [0,2,0,0,0,0|1,0,1]=4 8154 B12R1.121 COc1ccccc1OCSC 34a_100000210385_100011218213 [0,2,0,0,0,0|1,0,1]=4 8155 B12R1.121 COc1ccccc1SCC=O 62a_100000210334_200015260668 [0,2,0,0,0,0|1,1,0]=4 8156 B12R1.121 COc1ccccc1SCC=O 62a_200015260668_100000210334 [0,2,0,0,0,0|1,1,0]=4 8157 B12R1.121 COc1cccnc1OCC=O 34a_100025773188_200009817547 [0,2,0,0,0,0|2,0,0]=4 8158 B12R1.121 COc1ccncc1OCC=O 34a_100000101186_200009817547 [0,2,0,0,0,0|2,0,0]=4 8159 B12R1.121 COc1ncccc1OCC=O 34a_100000698397_200009817547 [0,2,0,0,0,0|2,0,0]=4 8160 B12R1.121 COc1ncccc1OCC=O 7a_100000698397_200015260668 [0,2,0,0,0,0|2,0,0]=4 8161 B12R1.121 CSCOc1ccccc1C#N 34a_100000211048_100011218213 [0,2,0,0,0,0|1,0,1]=4 8162 B12R1.121 CSCOc1ccccc1CN 34a_100000185550_100011218213 [0,2,0,0,0,0|1,0,1]=4 8163 B12R1.121 CSCOc1ccccc1CO 34a_100011216872_100011218213 [0,2,0,0,0,0|1,0,1]=4 8164 B12R1.121 CSCOc1ccccc1SC 34a_100011216402_100011218213 [0,2,0,0,0,0|1,0,1]=4 8165 B12R1.121 CSc1ccccc1CCC=O 62a_100011713448_200000210301 [0,2,0,0,0,0|2,0,0]=4 8166 B12R1.121 CSc1ccccc1CCC=O 62a_200000210301_100011713448 [0,2,0,0,0,0|2,0,0]=4 8167 B12R1.121 CSc1ccccc1NCC=O 34a_100000211160_200009817547 [0,2,0,0,0,0|2,0,0]=4 8168 B12R1.121 CSc1ccccc1OCC#N 62a_200000173881_200000210301 [0,2,0,0,0,0|1,0,1]=4 8169 B12R1.121 CSc1ccccc1OCC#N 62a_200000210301_200000173881 [0,2,0,0,0,0|1,0,1]=4 8170 B12R1.121 CSc1ccccc1OCC=O 34a_100011216402_200009817547 [0,2,0,0,0,0|1,0,0]=3 8171 B12R1.121 CSc1ccccc1OCCF 34a_100011216402_100011217306 [0,2,0,0,0,0|1,0,1]=4 8172 B12R1.121 CSc1ccccc1OCCN 62a_100000744007_200000210301 [0,2,0,0,0,0|1,0,1]=4 8173 B12R1.121 CSc1ccccc1OCCN 62a_200000210301_100000744007 [0,2,0,0,0,0|1,0,1]=4 8174 B12R1.121 CSc1ccccc1OCCO 34a_100011216402_100000211926 [0,2,0,0,0,0|1,0,1]=4 8175 B12R1.121 CSc1ccccc1OCCO 62a_100000230753_200000210301 [0,2,0,0,0,0|1,0,1]=4 8176 B12R1.121 CSc1ccccc1OCCO 62a_200000210301_100000230753 [0,2,0,0,0,0|1,0,1]=4 8177 B12R1.121 CSc1ccccc1SCC=O 62a_100011217816_200015260668 [0,2,0,0,0,0|1,1,0]=4 8178 B12R1.121 CSc1ccccc1SCC=O 62a_200015260668_100011217816 [0,2,0,0,0,0|1,1,0]=4 8179 B12R1.121 N#CCOc1ccccc1C#N 7a_100000211048_100011215382 [0,2,0,0,0,0|1,0,1]=4 8180 B12R1.121 N#Cc1ccccc1NCC=O 34a_100000211148_200009817547 [0,2,0,0,0,0|2,0,0]=4 8181 B12R1.121 N#Cc1ccccc1OCC=O 34a_100000211048_200009817547 [0,2,0,0,0,0|1,0,0]=3 8182 B12R1.121 N#Cc1ccccc1OCC=O 7a_100000211048_200015260668 [0,2,0,0,0,0|1,0,0]=3 8183 B12R1.121 N#Cc1ccccc1OCCF 34a_100000211048_100011217306 [0,2,0,0,0,0|1,0,1]=4 8184 B12R1.121 N#Cc1ccccc1OCCF 7a_100000211048_100011217306 [0,2,0,0,0,0|1,0,1]=4 8185 B12R1.121 N#Cc1ccccc1OCCO 34a_100000211048_100000211926 [0,2,0,0,0,0|1,0,1]=4 8186 B12R1.121 N#Cc1ccccc1OCCO 7a_100000211048_100000211926 [0,2,0,0,0,0|1,0,1]=4 8187 B12R1.121 N#Cc1ccccc1SCC=O 62a_200015260668_100000188569 [0,2,0,0,0,0|1,1,0]=4 8188 B12R1.121 N#Cc1ccncc1OCC=O 7a_100012181322_200015260668 [0,2,0,0,0,0|2,0,0]=4 8189 B12R1.121 N#Cc1ncccc1OCC=O 34a_100000722750_200009817547 [0,2,0,0,0,0|2,0,0]=4 8190 B12R1.121 N#Cc1ncccc1OCC=O 7a_100000722750_200015260668 [0,2,0,0,0,0|2,0,0]=4 8191 B12R1.121 NCc1ccccc1OCC=O 34a_100000185550_200009817547 [0,2,0,0,0,0|1,0,0]=3 8192 B12R1.121 NCc1ccccc1OCCF 34a_100000185550_100011217306 [0,2,0,0,0,0|1,0,1]=4 8193 B12R1.121 NCc1ccccc1OCCO 34a_100000185550_100000211926 [0,2,0,0,0,0|1,0,1]=4 8194 B12R1.121 NCc1ccccc1SCC=O 62a_100000689332_200015260668 [0,2,0,0,0,0|1,1,0]=4 8195 B12R1.121 NCc1ccccc1SCC=O 62a_200015260668_100000689332 [0,2,0,0,0,0|1,1,0]=4 8196 B12R1.121 NNc1ccccc1SCC=O 62a_100000241748_200015260668 [0,2,0,0,0,0|1,1,0]=4 8197 B12R1.121 NNc1ccccc1SCC=O 62a_200015260668_100000241748 [0,2,0,0,0,0|1,1,0]=4 8198 B12R1.121 O=CCNc1ccccc1CO 34a_100000212039_200009817547 [0,2,0,0,0,0|2,0,0]=4 8199 B12R1.121 O=CCOc1ccccc1CO 34a_100011216872_200009817547 [0,2,0,0,0,0|1,0,0]=3 8200 B12R1.121 O=CCOc1cccnc1CBr 34a_200020655725_200009817547 [0,2,0,0,0,0|2,0,0]=4 8201 B12R1.121 O=CCOc1cccnc1CBr 7a_200020655725_200015260668 [0,2,0,0,0,0|2,0,0]=4 8202 B12R1.121 O=CCOc1cccnc1CO 34a_100000731849_200009817547 [0,2,0,0,0,0|2,0,0]=4 8203 B12R1.121 O=CCOc1cnccc1CO 34a_100000078615_200009817547 [0,2,0,0,0,0|2,0,0]=4 8204 B12R1.121 O=CCSc1ccccc1C=O 62a_100000210073_200015260668 [0,2,0,0,0,0|1,1,0]=4 8205 B12R1.121 O=CCSc1ccccc1C=O 62a_200015260668_100000210073 [0,2,0,0,0,0|1,1,0]=4 8206 B12R1.121 O=CCSc1ccccc1CO 62a_100000187465_200015260668 [0,2,0,0,0,0|1,1,0]=4 8207 B12R1.121 O=CCSc1ccccc1CO 62a_200015260668_100000187465 [0,2,0,0,0,0|1,1,0]=4 8208 B12R1.121 OCCOc1ccccc1CO 34a_100011216872_100000211926 [0,2,0,0,0,0|1,0,1]=4 8209 B12R1.121 OCc1ccccc1OCCF 34a_100011216872_100011217306 [0,2,0,0,0,0|1,0,1]=4 8210 B12R1.121 [13CH3]Nc1ccccc1OCCF 34a_100012000959_200025704644 [0,2,0,0,0,0|1,0,1]=4 8211 B12R1.121 [13CH3]Nc1ccccc1OCCO 34a_100132302172_200025704644 [0,2,0,0,0,0|1,0,1]=4 8212 B12R1.121 [13CH3]Oc1ccccc1OCCO 34a_100000181789_200025704644 [0,2,0,0,0,0|1,0,1]=4 8213 B12R1.121 [13CH3]Oc1ccccc1OCCO 7a_100000181789_200025704644 [0,2,0,0,0,0|1,0,1]=4 8214 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_100011713448_200025704644 [0,2,0,0,0,0|2,0,0]=4 8215 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_200025704644_100011713448 [0,2,0,0,0,0|2,0,0]=4 8216 B12R1.121 [13CH3]Sc1ccccc1OCC#N 62a_200000173881_200025704644 [0,2,0,0,0,0|1,0,1]=4 8217 B12R1.121 [13CH3]Sc1ccccc1OCC#N 62a_200025704644_200000173881 [0,2,0,0,0,0|1,0,1]=4 8218 B12R1.121 [13CH3]Sc1ccccc1OCCN 62a_100000744007_200025704644 [0,2,0,0,0,0|1,0,1]=4 8219 B12R1.121 [13CH3]Sc1ccccc1OCCN 62a_200025704644_100000744007 [0,2,0,0,0,0|1,0,1]=4 8220 B12R1.121 [13CH3]Sc1ccccc1OCCO 62a_100000230753_200025704644 [0,2,0,0,0,0|1,0,1]=4 8221 B12R1.121 [13CH3]Sc1ccccc1OCCO 62a_200025704644_100000230753 [0,2,0,0,0,0|1,0,1]=4 8222 B12R1.125 C=C(C)CNc1ccccc1Br 34a_100000210017_100000748629 [0,2,0,0,0,0|1,0,0]=3 8223 B12R1.125 C=C(C)CNc1ccccc1C 34a_100015192222_100000748629 [0,2,0,0,0,0|1,0,0]=3 8224 B12R1.125 C=C(C)CNc1ccccc1Cl 34a_100000185783_100000748629 [0,2,0,0,0,0|1,0,0]=3 8225 B12R1.125 C=C(C)CNc1ccccc1F 34a_100000210422_100000748629 [0,2,0,0,0,0|1,0,0]=3 8226 B12R1.125 C=C(C)CNc1ccccc1I 34a_100000210053_100000748629 [0,2,0,0,0,0|1,0,0]=3 8227 B12R1.125 C=C(C)CNc1ccccc1O 34a_100000185747_100000748629 [0,2,0,0,0,0|1,0,0]=3 8228 B12R1.125 C=C(C)CNc1ccncc1Br 27a_100000765925_100000726257 [0,2,0,0,0,0|2,0,0]=4 8229 B12R1.125 C=C(C)CNc1ccncc1C 27a_100000765925_100000765111 [0,2,0,0,0,0|2,0,0]=4 8230 B12R1.125 C=C(C)CNc1ccncc1F 27a_100000765925_100000035921 [0,2,0,0,0,0|2,0,0]=4 8231 B12R1.125 C=C(C)CNc1ncccc1Br 27a_100000765925_100000696092 [0,2,0,0,0,0|2,0,0]=4 8232 B12R1.125 C=C(C)COc1cccc[n+]1[O-] 7a_100000211761_100000748629 [0,2,0,0,0,0|1,0,0]=3 8233 B12R1.125 C=C(C)COc1ccccc1Br 34a_100000181306_100000748629 [0,2,0,0,0,0|0,0,0]=2 8234 B12R1.125 C=C(C)COc1ccccc1Br 7a_100000181306_100000748629 [0,2,0,0,0,0|0,0,0]=2 8235 B12R1.125 C=C(C)COc1ccccc1C 34a_100000210338_100000748629 [0,2,0,0,0,0|0,0,0]=2 8236 B12R1.125 C=C(C)COc1ccccc1C 7a_100000210338_100000748629 [0,2,0,0,0,0|0,0,0]=2 8237 B12R1.125 C=C(C)COc1ccccc1Cl 34a_100000210172_100000748629 [0,2,0,0,0,0|0,0,0]=2 8238 B12R1.125 C=C(C)COc1ccccc1Cl 7a_100000210172_100000748629 [0,2,0,0,0,0|0,0,0]=2 8239 B12R1.125 C=C(C)COc1ccccc1F 34a_100000210171_100000748629 [0,2,0,0,0,0|0,0,0]=2 8240 B12R1.125 C=C(C)COc1ccccc1F 7a_100000210171_100000748629 [0,2,0,0,0,0|0,0,0]=2 8241 B12R1.125 C=C(C)COc1ccccc1I 34a_100000739446_100000748629 [0,2,0,0,0,0|0,0,0]=2 8242 B12R1.125 C=C(C)COc1ccccc1I 7a_100000739446_100000748629 [0,2,0,0,0,0|0,0,0]=2 8243 B12R1.125 C=C(C)COc1ccccc1N 34a_100000185747_100000748629 [0,2,0,0,0,0|0,0,0]=2 8244 B12R1.125 C=C(C)COc1ccccc1N 7a_100000185747_100000748629 [0,2,0,0,0,0|0,0,0]=2 8245 B12R1.125 C=C(C)COc1cccnc1Br 34a_100000744436_100000748629 [0,2,0,0,0,0|1,0,0]=3 8246 B12R1.125 C=C(C)COc1cccnc1Br 7a_100000744436_100000748629 [0,2,0,0,0,0|1,0,0]=3 8247 B12R1.125 C=C(C)COc1cccnc1C 34a_100000745507_100000748629 [0,2,0,0,0,0|1,0,0]=3 8248 B12R1.125 C=C(C)COc1cccnc1C 7a_100000745507_100000748629 [0,2,0,0,0,0|1,0,0]=3 8249 B12R1.125 C=C(C)COc1cccnc1Cl 34a_100000757616_100000748629 [0,2,0,0,0,0|1,0,0]=3 8250 B12R1.125 C=C(C)COc1cccnc1Cl 7a_100000757616_100000748629 [0,2,0,0,0,0|1,0,0]=3 8251 B12R1.125 C=C(C)COc1cccnc1F 34a_100000061740_100000748629 [0,2,0,0,0,0|1,0,0]=3 8252 B12R1.125 C=C(C)COc1cccnc1F 7a_100000061740_100000748629 [0,2,0,0,0,0|1,0,0]=3 8253 B12R1.125 C=C(C)COc1cccnc1I 34a_100000034122_100000748629 [0,2,0,0,0,0|1,0,0]=3 8254 B12R1.125 C=C(C)COc1cccnc1I 7a_100000034122_100000748629 [0,2,0,0,0,0|1,0,0]=3 8255 B12R1.125 C=C(C)COc1cccnc1N 34a_100000211975_100000748629 [0,2,0,0,0,0|1,0,0]=3 8256 B12R1.125 C=C(C)COc1cccnc1N 7a_100000211975_100000748629 [0,2,0,0,0,0|1,0,0]=3 8257 B12R1.125 C=C(C)COc1cccoc1=O 34a_100000077404_100000748629 [0,2,0,0,0,0|1,0,0]=3 8258 B12R1.125 C=C(C)COc1cccoc1=O 7a_100000077404_100000748629 [0,2,0,0,0,0|1,0,0]=3 8259 B12R1.125 C=C(C)COc1ccncc1Br 34a_100011996408_100000748629 [0,2,0,0,0,0|1,0,0]=3 8260 B12R1.125 C=C(C)COc1ccncc1C 34a_100000694293_100000748629 [0,2,0,0,0,0|1,0,0]=3 8261 B12R1.125 C=C(C)COc1ccncc1Cl 34a_100011997054_100000748629 [0,2,0,0,0,0|1,0,0]=3 8262 B12R1.125 C=C(C)COc1ccncc1F 34a_200000081243_100000748629 [0,2,0,0,0,0|1,0,0]=3 8263 B12R1.125 C=C(C)COc1cnccc1C 34a_100011997053_100000748629 [0,2,0,0,0,0|1,0,0]=3 8264 B12R1.125 C=C(C)COc1cnccc1C 7a_100011997053_100000748629 [0,2,0,0,0,0|1,0,0]=3 8265 B12R1.125 C=C(C)COc1cnccc1Cl 34a_100011996695_100000748629 [0,2,0,0,0,0|1,0,0]=3 8266 B12R1.125 C=C(C)COc1cnccc1I 34a_100000050107_100000748629 [0,2,0,0,0,0|1,0,0]=3 8267 B12R1.125 C=C(C)COc1cnccc1N 34a_100000753702_100000748629 [0,2,0,0,0,0|1,0,0]=3 8268 B12R1.125 C=C(C)COc1cncnc1N 7a_100000112926_100000748629 [0,2,0,0,0,0|2,0,0]=4 8269 B12R1.125 C=C(C)COc1coccc1=O 34a_100000060831_100000748629 [0,2,0,0,0,0|1,0,0]=3 8270 B12R1.125 C=C(C)COc1ncccc1Cl 34a_100011290957_100000748629 [0,2,0,0,0,0|1,0,0]=3 8271 B12R1.125 C=C(C)COc1ncccc1F 34a_100011219419_100000748629 [0,2,0,0,0,0|1,0,0]=3 8272 B12R1.125 C=C(C)COc1ncccc1N 34a_100000746358_100000748629 [0,2,0,0,0,0|1,0,0]=3 8273 B12R1.125 C=C(C)COc1nccnc1C 34a_100000766352_100000748629 [0,2,0,0,0,0|2,0,0]=4 8274 B12R1.125 C=C(C)CSc1c[nH]ccc1=O 62a_100000748629_100009998708 [0,2,0,0,0,0|1,1,0]=4 8275 B12R1.125 C=C(C)CSc1c[nH]ccc1=O 62a_100009998708_100000211660 [0,2,0,0,0,0|1,1,0]=4 8276 B12R1.125 C=C(C)CSc1c[nH]ccc1=S 62a_100000748629_200012280681 [0,2,0,0,0,0|1,1,0]=4 8277 B12R1.125 C=C(C)CSc1c[nH]ccc1=S 62a_200012280681_100000211660 [0,2,0,0,0,0|1,1,0]=4 8278 B12R1.125 C=C(C)CSc1cccc[n+]1C 62a_100000748629_100000212160 [0,2,0,0,0,0|1,1,0]=4 8279 B12R1.125 C=C(C)CSc1cccc[n+]1[O-] 62a_100000748629_200000042595 [0,2,0,0,0,0|1,1,0]=4 8280 B12R1.125 C=C(C)CSc1ccccc1Br 62a_100000695589_100000211660 [0,2,0,0,0,0|0,1,0]=3 8281 B12R1.125 C=C(C)CSc1ccccc1Br 62a_100000748629_100000695589 [0,2,0,0,0,0|0,1,0]=3 8282 B12R1.125 C=C(C)CSc1ccccc1C 62a_100000210755_100000211660 [0,2,0,0,0,0|0,1,0]=3 8283 B12R1.125 C=C(C)CSc1ccccc1C 62a_100000748629_100000210755 [0,2,0,0,0,0|0,1,0]=3 8284 B12R1.125 C=C(C)CSc1ccccc1Cl 62a_100000748629_100000764095 [0,2,0,0,0,0|0,1,0]=3 8285 B12R1.125 C=C(C)CSc1ccccc1Cl 62a_100000764095_100000211660 [0,2,0,0,0,0|0,1,0]=3 8286 B12R1.125 C=C(C)CSc1ccccc1F 62a_100000748629_100011215700 [0,2,0,0,0,0|0,1,0]=3 8287 B12R1.125 C=C(C)CSc1ccccc1F 62a_100011215700_100000211660 [0,2,0,0,0,0|0,1,0]=3 8288 B12R1.125 C=C(C)CSc1ccccc1N 62a_100000210017_100000211660 [0,2,0,0,0,0|0,1,0]=3 8289 B12R1.125 C=C(C)CSc1ccccc1N 62a_100000748629_100000210017 [0,2,0,0,0,0|0,1,0]=3 8290 B12R1.125 C=C(C)CSc1ccccc1O 62a_100000739446_100000211660 [0,2,0,0,0,0|0,1,0]=3 8291 B12R1.125 C=C(C)CSc1ccccc1O 62a_100000748629_100000739446 [0,2,0,0,0,0|0,1,0]=3 8292 B12R1.125 C=C(C)CSc1cccnc1Br 62a_100000748629_100010202626 [0,2,0,0,0,0|1,1,0]=4 8293 B12R1.125 C=C(C)CSc1cccnc1Br 62a_100010202626_100000211660 [0,2,0,0,0,0|1,1,0]=4 8294 B12R1.125 C=C(C)CSc1cccnc1C 62a_100000748629_100000751574 [0,2,0,0,0,0|1,1,0]=4 8295 B12R1.125 C=C(C)CSc1cccnc1C 62a_100000751574_100000211660 [0,2,0,0,0,0|1,1,0]=4 8296 B12R1.125 C=C(C)CSc1cccnc1Cl 62a_100000036424_100000211660 [0,2,0,0,0,0|1,1,0]=4 8297 B12R1.125 C=C(C)CSc1cccnc1Cl 62a_100000748629_100000036424 [0,2,0,0,0,0|1,1,0]=4 8298 B12R1.125 C=C(C)CSc1cccnc1F 62a_100000748629_100009816115 [0,2,0,0,0,0|1,1,0]=4 8299 B12R1.125 C=C(C)CSc1cccnc1F 62a_100009816115_100000211660 [0,2,0,0,0,0|1,1,0]=4 8300 B12R1.125 C=C(C)CSc1cccnc1N 62a_100000045569_100000211660 [0,2,0,0,0,0|1,1,0]=4 8301 B12R1.125 C=C(C)CSc1cccnc1N 62a_100000748629_100000045569 [0,2,0,0,0,0|1,1,0]=4 8302 B12R1.125 C=C(C)CSc1cccnc1O 62a_100000748629_100000760158 [0,2,0,0,0,0|1,1,0]=4 8303 B12R1.125 C=C(C)CSc1cccnc1O 62a_100000760158_100000211660 [0,2,0,0,0,0|1,1,0]=4 8304 B12R1.125 C=C(C)CSc1ccncc1Br 62a_100000726257_100000211660 [0,2,0,0,0,0|1,1,0]=4 8305 B12R1.125 C=C(C)CSc1ccncc1Br 62a_100000748629_100000726257 [0,2,0,0,0,0|1,1,0]=4 8306 B12R1.125 C=C(C)CSc1ccncc1C 62a_100000748629_100000765111 [0,2,0,0,0,0|1,1,0]=4 8307 B12R1.125 C=C(C)CSc1ccncc1C 62a_100000765111_100000211660 [0,2,0,0,0,0|1,1,0]=4 8308 B12R1.125 C=C(C)CSc1ccncc1Cl 62a_100000708259_100000211660 [0,2,0,0,0,0|1,1,0]=4 8309 B12R1.125 C=C(C)CSc1ccncc1Cl 62a_100000748629_100000708259 [0,2,0,0,0,0|1,1,0]=4 8310 B12R1.125 C=C(C)CSc1ccncc1F 62a_100000047030_100000211660 [0,2,0,0,0,0|1,1,0]=4 8311 B12R1.125 C=C(C)CSc1ccncc1F 62a_100000748629_100000047030 [0,2,0,0,0,0|1,1,0]=4 8312 B12R1.125 C=C(C)CSc1ccncc1N 62a_100000748629_100000756074 [0,2,0,0,0,0|1,1,0]=4 8313 B12R1.125 C=C(C)CSc1ccncc1N 62a_100000756074_100000211660 [0,2,0,0,0,0|1,1,0]=4 8314 B12R1.125 C=C(C)CSc1ccncc1O 62a_100000748629_100009817591 [0,2,0,0,0,0|1,1,0]=4 8315 B12R1.125 C=C(C)CSc1ccncc1O 62a_100009817591_100000211660 [0,2,0,0,0,0|1,1,0]=4 8316 B12R1.125 C=C(C)CSc1cnccc1Br 62a_100000748629_100010138639 [0,2,0,0,0,0|1,1,0]=4 8317 B12R1.125 C=C(C)CSc1cnccc1Br 62a_100010138639_100000211660 [0,2,0,0,0,0|1,1,0]=4 8318 B12R1.125 C=C(C)CSc1cnccc1C 62a_100000748629_100000761580 [0,2,0,0,0,0|1,1,0]=4 8319 B12R1.125 C=C(C)CSc1cnccc1C 62a_100000761580_100000211660 [0,2,0,0,0,0|1,1,0]=4 8320 B12R1.125 C=C(C)CSc1cnccc1Cl 62a_100000748629_100009995489 [0,2,0,0,0,0|1,1,0]=4 8321 B12R1.125 C=C(C)CSc1cnccc1Cl 62a_100009995489_100000211660 [0,2,0,0,0,0|1,1,0]=4 8322 B12R1.125 C=C(C)CSc1cnccc1F 62a_100000748629_100009820683 [0,2,0,0,0,0|1,1,0]=4 8323 B12R1.125 C=C(C)CSc1cnccc1F 62a_100009820683_100000211660 [0,2,0,0,0,0|1,1,0]=4 8324 B12R1.125 C=C(C)CSc1cnccc1N 62a_100000047001_100000211660 [0,2,0,0,0,0|1,1,0]=4 8325 B12R1.125 C=C(C)CSc1cnccc1N 62a_100000748629_100000047001 [0,2,0,0,0,0|1,1,0]=4 8326 B12R1.125 C=C(C)CSc1ncccc1Br 62a_100000696092_100000211660 [0,2,0,0,0,0|1,1,0]=4 8327 B12R1.125 C=C(C)CSc1ncccc1Br 62a_100000748629_100000696092 [0,2,0,0,0,0|1,1,0]=4 8328 B12R1.125 C=C(C)CSc1ncccc1C 62a_100000748629_100000751373 [0,2,0,0,0,0|1,1,0]=4 8329 B12R1.125 C=C(C)CSc1ncccc1C 62a_100000751373_100000211660 [0,2,0,0,0,0|1,1,0]=4 8330 B12R1.125 C=C(C)CSc1ncccc1Cl 62a_100000748629_100011356963 [0,2,0,0,0,0|1,1,0]=4 8331 B12R1.125 C=C(C)CSc1ncccc1Cl 62a_100011356963_100000211660 [0,2,0,0,0,0|1,1,0]=4 8332 B12R1.125 C=C(C)CSc1ncccc1F 62a_100000685392_100000211660 [0,2,0,0,0,0|1,1,0]=4 8333 B12R1.125 C=C(C)CSc1ncccc1F 62a_100000748629_100000685392 [0,2,0,0,0,0|1,1,0]=4 8334 B12R1.125 C=C(C)CSc1ncccc1N 62a_100000688686_100000211660 [0,2,0,0,0,0|1,1,0]=4 8335 B12R1.125 C=C(C)CSc1ncccc1N 62a_100000748629_100000688686 [0,2,0,0,0,0|1,1,0]=4 8336 B12R1.125 C=C(C)CSc1ncccc1O 62a_100000034122_100000211660 [0,2,0,0,0,0|1,1,0]=4 8337 B12R1.125 C=C(C)CSc1ncccc1O 62a_100000748629_100000034122 [0,2,0,0,0,0|1,1,0]=4 8338 B12R1.125 C=C(F)CNc1ccccc1Br 34a_100000210017_100009893438 [0,2,0,0,0,0|1,0,0]=3 8339 B12R1.125 C=C(F)CNc1ccccc1C 34a_100015192222_100009893438 [0,2,0,0,0,0|1,0,0]=3 8340 B12R1.125 C=C(F)CNc1ccccc1Cl 34a_100000185783_100009893438 [0,2,0,0,0,0|1,0,0]=3 8341 B12R1.125 C=C(F)CNc1ccccc1F 34a_100000210422_100009893438 [0,2,0,0,0,0|1,0,0]=3 8342 B12R1.125 C=C(F)CNc1ccccc1I 34a_100000210053_100009893438 [0,2,0,0,0,0|1,0,0]=3 8343 B12R1.125 C=C(F)CNc1ccccc1O 34a_100000185747_100009893438 [0,2,0,0,0,0|1,0,0]=3 8344 B12R1.125 C=C(F)COc1cccc[n+]1[O-] 7a_100000211761_100000042424 [0,2,0,0,0,0|1,0,0]=3 8345 B12R1.125 C=C(F)COc1ccccc1Br 34a_100000181306_100009893438 [0,2,0,0,0,0|0,0,0]=2 8346 B12R1.125 C=C(F)COc1ccccc1Br 7a_100000181306_100000042424 [0,2,0,0,0,0|0,0,0]=2 8347 B12R1.125 C=C(F)COc1ccccc1C 34a_100000210338_100009893438 [0,2,0,0,0,0|0,0,0]=2 8348 B12R1.125 C=C(F)COc1ccccc1C 7a_100000210338_100000042424 [0,2,0,0,0,0|0,0,0]=2 8349 B12R1.125 C=C(F)COc1ccccc1Cl 34a_100000210172_100009893438 [0,2,0,0,0,0|0,0,0]=2 8350 B12R1.125 C=C(F)COc1ccccc1Cl 7a_100000210172_100000042424 [0,2,0,0,0,0|0,0,0]=2 8351 B12R1.125 C=C(F)COc1ccccc1F 34a_100000210171_100009893438 [0,2,0,0,0,0|0,0,0]=2 8352 B12R1.125 C=C(F)COc1ccccc1F 7a_100000210171_100000042424 [0,2,0,0,0,0|0,0,0]=2 8353 B12R1.125 C=C(F)COc1ccccc1I 34a_100000739446_100009893438 [0,2,0,0,0,0|0,0,0]=2 8354 B12R1.125 C=C(F)COc1ccccc1I 7a_100000739446_100000042424 [0,2,0,0,0,0|0,0,0]=2 8355 B12R1.125 C=C(F)COc1ccccc1N 34a_100000185747_100009893438 [0,2,0,0,0,0|0,0,0]=2 8356 B12R1.125 C=C(F)COc1ccccc1N 7a_100000185747_100000042424 [0,2,0,0,0,0|0,0,0]=2 8357 B12R1.125 C=C(F)COc1cccnc1Br 34a_100000744436_100009893438 [0,2,0,0,0,0|1,0,0]=3 8358 B12R1.125 C=C(F)COc1cccnc1Br 7a_100000744436_100000042424 [0,2,0,0,0,0|1,0,0]=3 8359 B12R1.125 C=C(F)COc1cccnc1C 34a_100000745507_100009893438 [0,2,0,0,0,0|1,0,0]=3 8360 B12R1.125 C=C(F)COc1cccnc1C 7a_100000745507_100000042424 [0,2,0,0,0,0|1,0,0]=3 8361 B12R1.125 C=C(F)COc1cccnc1Cl 34a_100000757616_100009893438 [0,2,0,0,0,0|1,0,0]=3 8362 B12R1.125 C=C(F)COc1cccnc1Cl 7a_100000757616_100000042424 [0,2,0,0,0,0|1,0,0]=3 8363 B12R1.125 C=C(F)COc1cccnc1F 34a_100000061740_100009893438 [0,2,0,0,0,0|1,0,0]=3 8364 B12R1.125 C=C(F)COc1cccnc1F 7a_100000061740_100000042424 [0,2,0,0,0,0|1,0,0]=3 8365 B12R1.125 C=C(F)COc1cccnc1I 34a_100000034122_100009893438 [0,2,0,0,0,0|1,0,0]=3 8366 B12R1.125 C=C(F)COc1cccnc1I 7a_100000034122_100000042424 [0,2,0,0,0,0|1,0,0]=3 8367 B12R1.125 C=C(F)COc1cccnc1N 34a_100000211975_100009893438 [0,2,0,0,0,0|1,0,0]=3 8368 B12R1.125 C=C(F)COc1cccnc1N 7a_100000211975_100000042424 [0,2,0,0,0,0|1,0,0]=3 8369 B12R1.125 C=C(F)COc1cccoc1=O 34a_100000077404_100009893438 [0,2,0,0,0,0|1,0,0]=3 8370 B12R1.125 C=C(F)COc1cccoc1=O 7a_100000077404_100000042424 [0,2,0,0,0,0|1,0,0]=3 8371 B12R1.125 C=C(F)COc1ccncc1Br 34a_100011996408_100009893438 [0,2,0,0,0,0|1,0,0]=3 8372 B12R1.125 C=C(F)COc1ccncc1C 34a_100000694293_100009893438 [0,2,0,0,0,0|1,0,0]=3 8373 B12R1.125 C=C(F)COc1ccncc1Cl 34a_100011997054_100009893438 [0,2,0,0,0,0|1,0,0]=3 8374 B12R1.125 C=C(F)COc1ccncc1F 34a_200000081243_100009893438 [0,2,0,0,0,0|1,0,0]=3 8375 B12R1.125 C=C(F)COc1cnccc1C 34a_100011997053_100009893438 [0,2,0,0,0,0|1,0,0]=3 8376 B12R1.125 C=C(F)COc1cnccc1C 7a_100011997053_100000042424 [0,2,0,0,0,0|1,0,0]=3 8377 B12R1.125 C=C(F)COc1cnccc1Cl 34a_100011996695_100009893438 [0,2,0,0,0,0|1,0,0]=3 8378 B12R1.125 C=C(F)COc1cnccc1I 34a_100000050107_100009893438 [0,2,0,0,0,0|1,0,0]=3 8379 B12R1.125 C=C(F)COc1cnccc1N 34a_100000753702_100009893438 [0,2,0,0,0,0|1,0,0]=3 8380 B12R1.125 C=C(F)COc1cncnc1N 7a_100000112926_100000042424 [0,2,0,0,0,0|2,0,0]=4 8381 B12R1.125 C=C(F)COc1coccc1=O 34a_100000060831_100009893438 [0,2,0,0,0,0|1,0,0]=3 8382 B12R1.125 C=C(F)COc1ncccc1Cl 34a_100011290957_100009893438 [0,2,0,0,0,0|1,0,0]=3 8383 B12R1.125 C=C(F)COc1ncccc1F 34a_100011219419_100009893438 [0,2,0,0,0,0|1,0,0]=3 8384 B12R1.125 C=C(F)COc1ncccc1N 34a_100000746358_100009893438 [0,2,0,0,0,0|1,0,0]=3 8385 B12R1.125 C=C(F)COc1nccnc1C 34a_100000766352_100009893438 [0,2,0,0,0,0|2,0,0]=4 8386 B12R1.125 C=C(F)CSc1c[nH]ccc1=O 62a_100000042424_100009998708 [0,2,0,0,0,0|1,1,0]=4 8387 B12R1.125 C=C(F)CSc1c[nH]ccc1=O 62a_100009998708_100000042424 [0,2,0,0,0,0|1,1,0]=4 8388 B12R1.125 C=C(F)CSc1c[nH]ccc1=S 62a_100000042424_200012280681 [0,2,0,0,0,0|1,1,0]=4 8389 B12R1.125 C=C(F)CSc1c[nH]ccc1=S 62a_200012280681_100000042424 [0,2,0,0,0,0|1,1,0]=4 8390 B12R1.125 C=C(F)CSc1cccc[n+]1C 62a_100000042424_100000212160 [0,2,0,0,0,0|1,1,0]=4 8391 B12R1.125 C=C(F)CSc1cccc[n+]1[O-] 62a_100000042424_200000042595 [0,2,0,0,0,0|1,1,0]=4 8392 B12R1.125 C=C(F)CSc1ccccc1Br 62a_100000042424_100000695589 [0,2,0,0,0,0|0,1,0]=3 8393 B12R1.125 C=C(F)CSc1ccccc1Br 62a_100000695589_100000042424 [0,2,0,0,0,0|0,1,0]=3 8394 B12R1.125 C=C(F)CSc1ccccc1C 62a_100000042424_100000210755 [0,2,0,0,0,0|0,1,0]=3 8395 B12R1.125 C=C(F)CSc1ccccc1C 62a_100000210755_100000042424 [0,2,0,0,0,0|0,1,0]=3 8396 B12R1.125 C=C(F)CSc1ccccc1Cl 62a_100000042424_100000764095 [0,2,0,0,0,0|0,1,0]=3 8397 B12R1.125 C=C(F)CSc1ccccc1Cl 62a_100000764095_100000042424 [0,2,0,0,0,0|0,1,0]=3 8398 B12R1.125 C=C(F)CSc1ccccc1F 62a_100000042424_100011215700 [0,2,0,0,0,0|0,1,0]=3 8399 B12R1.125 C=C(F)CSc1ccccc1F 62a_100011215700_100000042424 [0,2,0,0,0,0|0,1,0]=3 8400 B12R1.125 C=C(F)CSc1ccccc1N 62a_100000042424_100000210017 [0,2,0,0,0,0|0,1,0]=3 8401 B12R1.125 C=C(F)CSc1ccccc1N 62a_100000210017_100000042424 [0,2,0,0,0,0|0,1,0]=3 8402 B12R1.125 C=C(F)CSc1ccccc1O 62a_100000042424_100000739446 [0,2,0,0,0,0|0,1,0]=3 8403 B12R1.125 C=C(F)CSc1ccccc1O 62a_100000739446_100000042424 [0,2,0,0,0,0|0,1,0]=3 8404 B12R1.125 C=C(F)CSc1cccnc1Br 62a_100000042424_100010202626 [0,2,0,0,0,0|1,1,0]=4 8405 B12R1.125 C=C(F)CSc1cccnc1Br 62a_100010202626_100000042424 [0,2,0,0,0,0|1,1,0]=4 8406 B12R1.125 C=C(F)CSc1cccnc1C 62a_100000042424_100000751574 [0,2,0,0,0,0|1,1,0]=4 8407 B12R1.125 C=C(F)CSc1cccnc1C 62a_100000751574_100000042424 [0,2,0,0,0,0|1,1,0]=4 8408 B12R1.125 C=C(F)CSc1cccnc1Cl 62a_100000036424_100000042424 [0,2,0,0,0,0|1,1,0]=4 8409 B12R1.125 C=C(F)CSc1cccnc1Cl 62a_100000042424_100000036424 [0,2,0,0,0,0|1,1,0]=4 8410 B12R1.125 C=C(F)CSc1cccnc1F 62a_100000042424_100009816115 [0,2,0,0,0,0|1,1,0]=4 8411 B12R1.125 C=C(F)CSc1cccnc1F 62a_100009816115_100000042424 [0,2,0,0,0,0|1,1,0]=4 8412 B12R1.125 C=C(F)CSc1cccnc1N 62a_100000042424_100000045569 [0,2,0,0,0,0|1,1,0]=4 8413 B12R1.125 C=C(F)CSc1cccnc1N 62a_100000045569_100000042424 [0,2,0,0,0,0|1,1,0]=4 8414 B12R1.125 C=C(F)CSc1cccnc1O 62a_100000042424_100000760158 [0,2,0,0,0,0|1,1,0]=4 8415 B12R1.125 C=C(F)CSc1cccnc1O 62a_100000760158_100000042424 [0,2,0,0,0,0|1,1,0]=4 8416 B12R1.125 C=C(F)CSc1ccncc1Br 62a_100000042424_100000726257 [0,2,0,0,0,0|1,1,0]=4 8417 B12R1.125 C=C(F)CSc1ccncc1Br 62a_100000726257_100000042424 [0,2,0,0,0,0|1,1,0]=4 8418 B12R1.125 C=C(F)CSc1ccncc1C 62a_100000042424_100000765111 [0,2,0,0,0,0|1,1,0]=4 8419 B12R1.125 C=C(F)CSc1ccncc1C 62a_100000765111_100000042424 [0,2,0,0,0,0|1,1,0]=4 8420 B12R1.125 C=C(F)CSc1ccncc1Cl 62a_100000042424_100000708259 [0,2,0,0,0,0|1,1,0]=4 8421 B12R1.125 C=C(F)CSc1ccncc1Cl 62a_100000708259_100000042424 [0,2,0,0,0,0|1,1,0]=4 8422 B12R1.125 C=C(F)CSc1ccncc1F 62a_100000042424_100000047030 [0,2,0,0,0,0|1,1,0]=4 8423 B12R1.125 C=C(F)CSc1ccncc1F 62a_100000047030_100000042424 [0,2,0,0,0,0|1,1,0]=4 8424 B12R1.125 C=C(F)CSc1ccncc1N 62a_100000042424_100000756074 [0,2,0,0,0,0|1,1,0]=4 8425 B12R1.125 C=C(F)CSc1ccncc1N 62a_100000756074_100000042424 [0,2,0,0,0,0|1,1,0]=4 8426 B12R1.125 C=C(F)CSc1ccncc1O 62a_100000042424_100009817591 [0,2,0,0,0,0|1,1,0]=4 8427 B12R1.125 C=C(F)CSc1ccncc1O 62a_100009817591_100000042424 [0,2,0,0,0,0|1,1,0]=4 8428 B12R1.125 C=C(F)CSc1cnccc1Br 62a_100000042424_100010138639 [0,2,0,0,0,0|1,1,0]=4 8429 B12R1.125 C=C(F)CSc1cnccc1Br 62a_100010138639_100000042424 [0,2,0,0,0,0|1,1,0]=4 8430 B12R1.125 C=C(F)CSc1cnccc1C 62a_100000042424_100000761580 [0,2,0,0,0,0|1,1,0]=4 8431 B12R1.125 C=C(F)CSc1cnccc1C 62a_100000761580_100000042424 [0,2,0,0,0,0|1,1,0]=4 8432 B12R1.125 C=C(F)CSc1cnccc1Cl 62a_100000042424_100009995489 [0,2,0,0,0,0|1,1,0]=4 8433 B12R1.125 C=C(F)CSc1cnccc1Cl 62a_100009995489_100000042424 [0,2,0,0,0,0|1,1,0]=4 8434 B12R1.125 C=C(F)CSc1cnccc1F 62a_100000042424_100009820683 [0,2,0,0,0,0|1,1,0]=4 8435 B12R1.125 C=C(F)CSc1cnccc1F 62a_100009820683_100000042424 [0,2,0,0,0,0|1,1,0]=4 8436 B12R1.125 C=C(F)CSc1cnccc1N 62a_100000042424_100000047001 [0,2,0,0,0,0|1,1,0]=4 8437 B12R1.125 C=C(F)CSc1cnccc1N 62a_100000047001_100000042424 [0,2,0,0,0,0|1,1,0]=4 8438 B12R1.125 C=C(F)CSc1ncccc1Br 62a_100000042424_100000696092 [0,2,0,0,0,0|1,1,0]=4 8439 B12R1.125 C=C(F)CSc1ncccc1Br 62a_100000696092_100000042424 [0,2,0,0,0,0|1,1,0]=4 8440 B12R1.125 C=C(F)CSc1ncccc1C 62a_100000042424_100000751373 [0,2,0,0,0,0|1,1,0]=4 8441 B12R1.125 C=C(F)CSc1ncccc1C 62a_100000751373_100000042424 [0,2,0,0,0,0|1,1,0]=4 8442 B12R1.125 C=C(F)CSc1ncccc1Cl 62a_100000042424_100011356963 [0,2,0,0,0,0|1,1,0]=4 8443 B12R1.125 C=C(F)CSc1ncccc1Cl 62a_100011356963_100000042424 [0,2,0,0,0,0|1,1,0]=4 8444 B12R1.125 C=C(F)CSc1ncccc1F 62a_100000042424_100000685392 [0,2,0,0,0,0|1,1,0]=4 8445 B12R1.125 C=C(F)CSc1ncccc1F 62a_100000685392_100000042424 [0,2,0,0,0,0|1,1,0]=4 8446 B12R1.125 C=C(F)CSc1ncccc1N 62a_100000042424_100000688686 [0,2,0,0,0,0|1,1,0]=4 8447 B12R1.125 C=C(F)CSc1ncccc1N 62a_100000688686_100000042424 [0,2,0,0,0,0|1,1,0]=4 8448 B12R1.125 C=C(F)CSc1ncccc1O 62a_100000034122_100000042424 [0,2,0,0,0,0|1,1,0]=4 8449 B12R1.125 C=C(F)CSc1ncccc1O 62a_100000042424_100000034122 [0,2,0,0,0,0|1,1,0]=4 8450 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [0,2,0,0,0,0|1,0,1]=4 8451 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [0,2,0,0,0,0|1,0,1]=4 8452 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [0,2,0,0,0,0|1,0,1]=4 8453 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [0,2,0,0,0,0|1,0,1]=4 8454 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [0,2,0,0,0,0|1,0,1]=4 8455 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [0,2,0,0,0,0|1,0,1]=4 8456 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [0,2,0,0,0,0|1,0,1]=4 8457 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [0,2,0,0,0,0|1,0,1]=4 8458 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [0,2,0,0,0,0|1,0,1]=4 8459 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [0,2,0,0,0,0|1,0,1]=4 8460 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [0,2,0,0,0,0|1,0,1]=4 8461 B12R1.125 CC(=O)COc1ccccc1Br 1458a_100000216496_200000210301 [0,2,0,0,0,0|0,0,1]=3 8462 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [0,2,0,0,0,0|0,0,1]=3 8463 B12R1.125 CC(=O)COc1ccccc1Cl 1458a_100000185159_200000210301 [0,2,0,0,0,0|0,0,1]=3 8464 B12R1.125 CC(=O)COc1ccccc1F 1458a_100000182486_200000210301 [0,2,0,0,0,0|0,0,1]=3 8465 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [0,2,0,0,0,0|0,0,1]=3 8466 B12R1.125 CC(=O)CSc1ccccc1C 1458a_100000183026_200000210301 [0,2,0,0,0,0|0,1,1]=4 8467 B12R1.125 CC(=O)CSc1ccccc1F 1458a_100000179528_200000210301 [0,2,0,0,0,0|0,1,1]=4 8468 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [0,2,0,0,0,0|0,1,1]=4 8469 B12R1.125 CC(C)COc1ccccc1Br 34a_100000181306_100000210624 [0,2,0,0,0,0|0,0,2]=4 8470 B12R1.125 CC(C)COc1ccccc1Br 7a_100000181306_100000210760 [0,2,0,0,0,0|0,0,2]=4 8471 B12R1.125 CC(C)COc1ccccc1Cl 34a_100000210172_100000210624 [0,2,0,0,0,0|0,0,2]=4 8472 B12R1.125 CC(C)COc1ccccc1Cl 7a_100000210172_100000210760 [0,2,0,0,0,0|0,0,2]=4 8473 B12R1.125 CC(C)COc1ccccc1F 34a_100000210171_100000210624 [0,2,0,0,0,0|0,0,2]=4 8474 B12R1.125 CC(C)COc1ccccc1F 7a_100000210171_100000210760 [0,2,0,0,0,0|0,0,2]=4 8475 B12R1.125 CC(C)COc1ccccc1I 34a_100000739446_100000210624 [0,2,0,0,0,0|0,0,2]=4 8476 B12R1.125 CC(C)COc1ccccc1I 7a_100000739446_100000210760 [0,2,0,0,0,0|0,0,2]=4 8477 B12R1.125 CC(C)COc1ccccc1N 34a_100000185747_100000210624 [0,2,0,0,0,0|0,0,2]=4 8478 B12R1.125 CC(C)COc1ccccc1N 7a_100000185747_100000210760 [0,2,0,0,0,0|0,0,2]=4 8479 B12R1.125 CC(O)COc1ccccc1Br 34a_100000181306_100011218427 [0,2,0,0,0,0|0,0,2]=4 8480 B12R1.125 CC(O)COc1ccccc1Br 7a_100000181306_100011218427 [0,2,0,0,0,0|0,0,2]=4 8481 B12R1.125 CC(O)COc1ccccc1Cl 34a_100000210172_100011218427 [0,2,0,0,0,0|0,0,2]=4 8482 B12R1.125 CC(O)COc1ccccc1Cl 7a_100000210172_100011218427 [0,2,0,0,0,0|0,0,2]=4 8483 B12R1.125 CC(O)COc1ccccc1F 34a_100000210171_100011218427 [0,2,0,0,0,0|0,0,2]=4 8484 B12R1.125 CC(O)COc1ccccc1F 7a_100000210171_100011218427 [0,2,0,0,0,0|0,0,2]=4 8485 B12R1.125 CC(O)COc1ccccc1I 34a_100000739446_100011218427 [0,2,0,0,0,0|0,0,2]=4 8486 B12R1.125 CC(O)COc1ccccc1I 7a_100000739446_100011218427 [0,2,0,0,0,0|0,0,2]=4 8487 B12R1.125 CC(O)COc1ccccc1N 34a_100000185747_100011218427 [0,2,0,0,0,0|0,0,2]=4 8488 B12R1.125 CC(O)COc1ccccc1N 7a_100000185747_100011218427 [0,2,0,0,0,0|0,0,2]=4 8489 B12R1.125 C[C@@H](O)COc1ccccc1Br 34a_100000181306_100009817552 [0,2,0,0,0,0|0,0,2]=4 8490 B12R1.125 C[C@@H](O)COc1ccccc1Br 7a_100000181306_100009817552 [0,2,0,0,0,0|0,0,2]=4 8491 B12R1.125 C[C@@H](O)COc1ccccc1Cl 34a_100000210172_100009817552 [0,2,0,0,0,0|0,0,2]=4 8492 B12R1.125 C[C@@H](O)COc1ccccc1Cl 7a_100000210172_100009817552 [0,2,0,0,0,0|0,0,2]=4 8493 B12R1.125 C[C@@H](O)COc1ccccc1F 34a_100000210171_100009817552 [0,2,0,0,0,0|0,0,2]=4 8494 B12R1.125 C[C@@H](O)COc1ccccc1F 7a_100000210171_100009817552 [0,2,0,0,0,0|0,0,2]=4 8495 B12R1.125 C[C@@H](O)COc1ccccc1I 34a_100000739446_100009817552 [0,2,0,0,0,0|0,0,2]=4 8496 B12R1.125 C[C@@H](O)COc1ccccc1I 7a_100000739446_100009817552 [0,2,0,0,0,0|0,0,2]=4 8497 B12R1.125 C[C@@H](O)COc1ccccc1N 34a_100000185747_100009817552 [0,2,0,0,0,0|0,0,2]=4 8498 B12R1.125 C[C@@H](O)COc1ccccc1N 7a_100000185747_100009817552 [0,2,0,0,0,0|0,0,2]=4 8499 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [0,2,0,0,0,0|1,0,1]=4 8500 B12R1.125 Cc1ccccc1NCC(=O)N 34a_100015192222_100000187820 [0,2,0,0,0,0|2,0,0]=4 8501 B12R1.125 Cc1ccccc1NCC(=O)[O-] 34a_100015192222_100020667443 [0,2,0,0,0,0|2,0,0]=4 8502 B12R1.125 Cc1ccccc1OCC(=O)N 34a_100000210338_100000187820 [0,2,0,0,0,0|1,0,0]=3 8503 B12R1.125 Cc1ccccc1OCC(=O)N 7a_100000210338_100000187820 [0,2,0,0,0,0|1,0,0]=3 8504 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [0,2,0,0,0,0|0,0,1]=3 8505 B12R1.125 Cc1ccccc1OCC(=O)[O-] 34a_100000210338_100020667443 [0,2,0,0,0,0|1,0,0]=3 8506 B12R1.125 Cc1ccccc1OCC(C)C 34a_100000210338_100000210624 [0,2,0,0,0,0|0,0,2]=4 8507 B12R1.125 Cc1ccccc1OCC(C)C 7a_100000210338_100000210760 [0,2,0,0,0,0|0,0,2]=4 8508 B12R1.125 Cc1ccccc1OCC(C)O 34a_100000210338_100011218427 [0,2,0,0,0,0|0,0,2]=4 8509 B12R1.125 Cc1ccccc1OCC(C)O 7a_100000210338_100011218427 [0,2,0,0,0,0|0,0,2]=4 8510 B12R1.125 Cc1ccccc1OCC(F)F 34a_100000210338_100011934356 [0,2,0,0,0,0|1,0,1]=4 8511 B12R1.125 Cc1ccccc1OCC(F)F 7a_100000210338_100011934356 [0,2,0,0,0,0|1,0,1]=4 8512 B12R1.125 Cc1ccccc1OC[C@@H](C)O 34a_100000210338_100009817552 [0,2,0,0,0,0|0,0,2]=4 8513 B12R1.125 Cc1ccccc1OC[C@@H](C)O 7a_100000210338_100009817552 [0,2,0,0,0,0|0,0,2]=4 8514 B12R1.125 Cc1ccccc1OC[N+](=O)[O-] 34a_100000210338_100000761209 [0,2,0,0,0,0|2,0,0]=4 8515 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000210755_100000747473 [0,2,0,0,0,0|1,1,0]=4 8516 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000747473_100000210755 [0,2,0,0,0,0|1,1,0]=4 8517 B12R1.125 Cc1ccccc1SCC(=O)[13CH3] 1458a_100000183026_200025704644 [0,2,0,0,0,0|0,1,1]=4 8518 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100000210755_100020667443 [0,2,0,0,0,0|1,1,0]=4 8519 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210755 [0,2,0,0,0,0|1,1,0]=4 8520 B12R1.125 Cc1ccncc1OCC(=O)N 34a_100011997053_100000187820 [0,2,0,0,0,0|2,0,0]=4 8521 B12R1.125 Cc1ccncc1OCC(=O)N 7a_100011997053_100000187820 [0,2,0,0,0,0|2,0,0]=4 8522 B12R1.125 Cc1ccncc1OCC(=O)[O-] 34a_100011997053_100020667443 [0,2,0,0,0,0|2,0,0]=4 8523 B12R1.125 Cc1cnccc1OCC(=O)N 34a_100000694293_100000187820 [0,2,0,0,0,0|2,0,0]=4 8524 B12R1.125 Cc1cnccc1OCC(=O)[O-] 34a_100000694293_100020667443 [0,2,0,0,0,0|2,0,0]=4 8525 B12R1.125 Cc1ncccc1OCC(=O)N 34a_100000745507_100000187820 [0,2,0,0,0,0|2,0,0]=4 8526 B12R1.125 Cc1ncccc1OCC(=O)N 7a_100000745507_100000187820 [0,2,0,0,0,0|2,0,0]=4 8527 B12R1.125 Cc1ncccc1OCC(=O)[O-] 34a_100000745507_100020667443 [0,2,0,0,0,0|2,0,0]=4 8528 B12R1.125 FC(F)COc1ccccc1Br 34a_100000181306_100011934356 [0,2,0,0,0,0|1,0,1]=4 8529 B12R1.125 FC(F)COc1ccccc1Br 7a_100000181306_100011934356 [0,2,0,0,0,0|1,0,1]=4 8530 B12R1.125 FC(F)COc1ccccc1Cl 34a_100000210172_100011934356 [0,2,0,0,0,0|1,0,1]=4 8531 B12R1.125 FC(F)COc1ccccc1Cl 7a_100000210172_100011934356 [0,2,0,0,0,0|1,0,1]=4 8532 B12R1.125 FC(F)COc1ccccc1I 34a_100000739446_100011934356 [0,2,0,0,0,0|1,0,1]=4 8533 B12R1.125 FC(F)COc1ccccc1I 7a_100000739446_100011934356 [0,2,0,0,0,0|1,0,1]=4 8534 B12R1.125 Fc1ccccc1OCC(F)F 34a_100000210171_100011934356 [0,2,0,0,0,0|1,0,1]=4 8535 B12R1.125 Fc1ccccc1OCC(F)F 7a_100000210171_100011934356 [0,2,0,0,0,0|1,0,1]=4 8536 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [0,2,0,0,0,0|2,0,0]=4 8537 B12R1.125 NC(=O)CNc1ccccc1Br 34a_100000210017_100000187820 [0,2,0,0,0,0|2,0,0]=4 8538 B12R1.125 NC(=O)CNc1ccccc1Cl 34a_100000185783_100000187820 [0,2,0,0,0,0|2,0,0]=4 8539 B12R1.125 NC(=O)CNc1ccccc1F 34a_100000210422_100000187820 [0,2,0,0,0,0|2,0,0]=4 8540 B12R1.125 NC(=O)CNc1ccccc1I 34a_100000210053_100000187820 [0,2,0,0,0,0|2,0,0]=4 8541 B12R1.125 NC(=O)CNc1ccccc1O 34a_100000185747_100000187820 [0,2,0,0,0,0|2,0,0]=4 8542 B12R1.125 NC(=O)COc1cccc[n+]1[O-] 7a_100000211761_100000187820 [0,2,0,0,0,0|2,0,0]=4 8543 B12R1.125 NC(=O)COc1ccccc1Br 34a_100000181306_100000187820 [0,2,0,0,0,0|1,0,0]=3 8544 B12R1.125 NC(=O)COc1ccccc1Br 7a_100000181306_100000187820 [0,2,0,0,0,0|1,0,0]=3 8545 B12R1.125 NC(=O)COc1ccccc1Cl 34a_100000210172_100000187820 [0,2,0,0,0,0|1,0,0]=3 8546 B12R1.125 NC(=O)COc1ccccc1Cl 7a_100000210172_100000187820 [0,2,0,0,0,0|1,0,0]=3 8547 B12R1.125 NC(=O)COc1ccccc1F 34a_100000210171_100000187820 [0,2,0,0,0,0|1,0,0]=3 8548 B12R1.125 NC(=O)COc1ccccc1F 7a_100000210171_100000187820 [0,2,0,0,0,0|1,0,0]=3 8549 B12R1.125 NC(=O)COc1ccccc1I 34a_100000739446_100000187820 [0,2,0,0,0,0|1,0,0]=3 8550 B12R1.125 NC(=O)COc1ccccc1I 7a_100000739446_100000187820 [0,2,0,0,0,0|1,0,0]=3 8551 B12R1.125 NC(=O)COc1ccccc1N 34a_100000185747_100000187820 [0,2,0,0,0,0|1,0,0]=3 8552 B12R1.125 NC(=O)COc1ccccc1N 7a_100000185747_100000187820 [0,2,0,0,0,0|1,0,0]=3 8553 B12R1.125 NC(=O)COc1ccccc1O 271570a_203496583355_200000148491 [0,2,0,0,0,0|1,0,0]=3 8554 B12R1.125 NC(=O)COc1cccnc1Br 34a_100000744436_100000187820 [0,2,0,0,0,0|2,0,0]=4 8555 B12R1.125 NC(=O)COc1cccnc1Br 7a_100000744436_100000187820 [0,2,0,0,0,0|2,0,0]=4 8556 B12R1.125 NC(=O)COc1cccnc1Cl 34a_100000757616_100000187820 [0,2,0,0,0,0|2,0,0]=4 8557 B12R1.125 NC(=O)COc1cccnc1Cl 7a_100000757616_100000187820 [0,2,0,0,0,0|2,0,0]=4 8558 B12R1.125 NC(=O)COc1cccnc1F 34a_100000061740_100000187820 [0,2,0,0,0,0|2,0,0]=4 8559 B12R1.125 NC(=O)COc1cccnc1F 7a_100000061740_100000187820 [0,2,0,0,0,0|2,0,0]=4 8560 B12R1.125 NC(=O)COc1cccnc1I 34a_100000034122_100000187820 [0,2,0,0,0,0|2,0,0]=4 8561 B12R1.125 NC(=O)COc1cccnc1I 7a_100000034122_100000187820 [0,2,0,0,0,0|2,0,0]=4 8562 B12R1.125 NC(=O)COc1cccnc1N 34a_100000211975_100000187820 [0,2,0,0,0,0|2,0,0]=4 8563 B12R1.125 NC(=O)COc1cccnc1N 7a_100000211975_100000187820 [0,2,0,0,0,0|2,0,0]=4 8564 B12R1.125 NC(=O)COc1cccoc1=O 34a_100000077404_100000187820 [0,2,0,0,0,0|2,0,0]=4 8565 B12R1.125 NC(=O)COc1cccoc1=O 7a_100000077404_100000187820 [0,2,0,0,0,0|2,0,0]=4 8566 B12R1.125 NC(=O)COc1ccncc1Br 34a_100011996408_100000187820 [0,2,0,0,0,0|2,0,0]=4 8567 B12R1.125 NC(=O)COc1ccncc1Cl 34a_100011997054_100000187820 [0,2,0,0,0,0|2,0,0]=4 8568 B12R1.125 NC(=O)COc1ccncc1F 34a_200000081243_100000187820 [0,2,0,0,0,0|2,0,0]=4 8569 B12R1.125 NC(=O)COc1cnccc1Cl 34a_100011996695_100000187820 [0,2,0,0,0,0|2,0,0]=4 8570 B12R1.125 NC(=O)COc1cnccc1I 34a_100000050107_100000187820 [0,2,0,0,0,0|2,0,0]=4 8571 B12R1.125 NC(=O)COc1cnccc1N 34a_100000753702_100000187820 [0,2,0,0,0,0|2,0,0]=4 8572 B12R1.125 NC(=O)COc1coccc1=O 34a_100000060831_100000187820 [0,2,0,0,0,0|2,0,0]=4 8573 B12R1.125 NC(=O)COc1ncccc1Cl 34a_100011290957_100000187820 [0,2,0,0,0,0|2,0,0]=4 8574 B12R1.125 NC(=O)COc1ncccc1F 34a_100011219419_100000187820 [0,2,0,0,0,0|2,0,0]=4 8575 B12R1.125 NC(=O)COc1ncccc1N 34a_100000746358_100000187820 [0,2,0,0,0,0|2,0,0]=4 8576 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000695589_100000747473 [0,2,0,0,0,0|1,1,0]=4 8577 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000747473_100000695589 [0,2,0,0,0,0|1,1,0]=4 8578 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000747473_100000764095 [0,2,0,0,0,0|1,1,0]=4 8579 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000764095_100000747473 [0,2,0,0,0,0|1,1,0]=4 8580 B12R1.125 NC(=O)CSc1ccccc1F 62a_100000747473_100011215700 [0,2,0,0,0,0|1,1,0]=4 8581 B12R1.125 NC(=O)CSc1ccccc1F 62a_100011215700_100000747473 [0,2,0,0,0,0|1,1,0]=4 8582 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000210017_100000747473 [0,2,0,0,0,0|1,1,0]=4 8583 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000747473_100000210017 [0,2,0,0,0,0|1,1,0]=4 8584 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000739446_100000747473 [0,2,0,0,0,0|1,1,0]=4 8585 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000747473_100000739446 [0,2,0,0,0,0|1,1,0]=4 8586 B12R1.125 Nc1ccccc1OCC(=O)[O-] 34a_100000185747_100020667443 [0,2,0,0,0,0|1,0,0]=3 8587 B12R1.125 Nc1ccccc1OCC(F)F 34a_100000185747_100011934356 [0,2,0,0,0,0|1,0,1]=4 8588 B12R1.125 Nc1ccccc1OCC(F)F 7a_100000185747_100011934356 [0,2,0,0,0,0|1,0,1]=4 8589 B12R1.125 Nc1ccccc1OC[N+](=O)[O-] 34a_100000185747_100000761209 [0,2,0,0,0,0|2,0,0]=4 8590 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100000210017_100020667443 [0,2,0,0,0,0|1,1,0]=4 8591 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210017 [0,2,0,0,0,0|1,1,0]=4 8592 B12R1.125 Nc1cccnc1OCC(=O)[O-] 34a_100000746358_100020667443 [0,2,0,0,0,0|2,0,0]=4 8593 B12R1.125 Nc1ccncc1OCC(=O)[O-] 34a_100000753702_100020667443 [0,2,0,0,0,0|2,0,0]=4 8594 B12R1.125 Nc1ncccc1OCC(=O)[O-] 34a_100000211975_100020667443 [0,2,0,0,0,0|2,0,0]=4 8595 B12R1.125 O=C([O-])CNc1ccccc1Br 34a_100000210017_100020667443 [0,2,0,0,0,0|2,0,0]=4 8596 B12R1.125 O=C([O-])CNc1ccccc1Cl 34a_100000185783_100020667443 [0,2,0,0,0,0|2,0,0]=4 8597 B12R1.125 O=C([O-])CNc1ccccc1F 34a_100000210422_100020667443 [0,2,0,0,0,0|2,0,0]=4 8598 B12R1.125 O=C([O-])CNc1ccccc1I 34a_100000210053_100020667443 [0,2,0,0,0,0|2,0,0]=4 8599 B12R1.125 O=C([O-])CNc1ccccc1O 34a_100000185747_100020667443 [0,2,0,0,0,0|2,0,0]=4 8600 B12R1.125 O=C([O-])COc1ccccc1Br 34a_100000181306_100020667443 [0,2,0,0,0,0|1,0,0]=3 8601 B12R1.125 O=C([O-])COc1ccccc1Cl 34a_100000210172_100020667443 [0,2,0,0,0,0|1,0,0]=3 8602 B12R1.125 O=C([O-])COc1ccccc1F 34a_100000210171_100020667443 [0,2,0,0,0,0|1,0,0]=3 8603 B12R1.125 O=C([O-])COc1ccccc1I 34a_100000739446_100020667443 [0,2,0,0,0,0|1,0,0]=3 8604 B12R1.125 O=C([O-])COc1cccnc1Br 34a_100000744436_100020667443 [0,2,0,0,0,0|2,0,0]=4 8605 B12R1.125 O=C([O-])COc1cccnc1Cl 34a_100000757616_100020667443 [0,2,0,0,0,0|2,0,0]=4 8606 B12R1.125 O=C([O-])COc1cccnc1F 34a_100000061740_100020667443 [0,2,0,0,0,0|2,0,0]=4 8607 B12R1.125 O=C([O-])COc1cccnc1I 34a_100000034122_100020667443 [0,2,0,0,0,0|2,0,0]=4 8608 B12R1.125 O=C([O-])COc1cccoc1=O 34a_100000077404_100020667443 [0,2,0,0,0,0|2,0,0]=4 8609 B12R1.125 O=C([O-])COc1ccncc1Br 34a_100011996408_100020667443 [0,2,0,0,0,0|2,0,0]=4 8610 B12R1.125 O=C([O-])COc1ccncc1Cl 34a_100011997054_100020667443 [0,2,0,0,0,0|2,0,0]=4 8611 B12R1.125 O=C([O-])COc1ccncc1F 34a_200000081243_100020667443 [0,2,0,0,0,0|2,0,0]=4 8612 B12R1.125 O=C([O-])COc1cnccc1Cl 34a_100011996695_100020667443 [0,2,0,0,0,0|2,0,0]=4 8613 B12R1.125 O=C([O-])COc1cnccc1I 34a_100000050107_100020667443 [0,2,0,0,0,0|2,0,0]=4 8614 B12R1.125 O=C([O-])COc1coccc1=O 34a_100000060831_100020667443 [0,2,0,0,0,0|2,0,0]=4 8615 B12R1.125 O=C([O-])COc1ncccc1Cl 34a_100011290957_100020667443 [0,2,0,0,0,0|2,0,0]=4 8616 B12R1.125 O=C([O-])COc1ncccc1F 34a_100011219419_100020667443 [0,2,0,0,0,0|2,0,0]=4 8617 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100000695589_100020667443 [0,2,0,0,0,0|1,1,0]=4 8618 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100020667443_100000695589 [0,2,0,0,0,0|1,1,0]=4 8619 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100000764095_100020667443 [0,2,0,0,0,0|1,1,0]=4 8620 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100020667443_100000764095 [0,2,0,0,0,0|1,1,0]=4 8621 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100011215700_100020667443 [0,2,0,0,0,0|1,1,0]=4 8622 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100020667443_100011215700 [0,2,0,0,0,0|1,1,0]=4 8623 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100000739446_100020667443 [0,2,0,0,0,0|1,1,0]=4 8624 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100020667443_100000739446 [0,2,0,0,0,0|1,1,0]=4 8625 B12R1.125 O=[N+]([O-])COc1ccccc1Br 34a_100000181306_100000761209 [0,2,0,0,0,0|2,0,0]=4 8626 B12R1.125 O=[N+]([O-])COc1ccccc1Cl 34a_100000210172_100000761209 [0,2,0,0,0,0|2,0,0]=4 8627 B12R1.125 O=[N+]([O-])COc1ccccc1F 34a_100000210171_100000761209 [0,2,0,0,0,0|2,0,0]=4 8628 B12R1.125 O=[N+]([O-])COc1ccccc1I 34a_100000739446_100000761209 [0,2,0,0,0,0|2,0,0]=4 8629 B12R1.125 Oc1ccccc1OCC(F)F 271570a_203496583355_100000692002 [0,2,0,0,0,0|1,0,1]=4 8630 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [0,2,0,0,0,0|1,0,1]=4 8631 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [0,2,0,0,0,0|1,0,1]=4 8632 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [0,2,0,0,0,0|1,0,1]=4 8633 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [0,2,0,0,0,0|1,0,1]=4 8634 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [0,2,0,0,0,0|1,0,1]=4 8635 B12R1.125 [13CH3]C(=O)COc1ccccc1Br 1458a_100000216496_200025704644 [0,2,0,0,0,0|0,0,1]=3 8636 B12R1.125 [13CH3]C(=O)COc1ccccc1Cl 1458a_100000185159_200025704644 [0,2,0,0,0,0|0,0,1]=3 8637 B12R1.125 [13CH3]C(=O)COc1ccccc1F 1458a_100000182486_200025704644 [0,2,0,0,0,0|0,0,1]=3 8638 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [0,2,0,0,0,0|0,0,1]=3 8639 B12R1.125 [13CH3]C(=O)CSc1ccccc1F 1458a_100000179528_200025704644 [0,2,0,0,0,0|0,1,1]=4 8640 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [0,2,0,0,0,0|0,1,1]=4 8641 B12R1.267 BrCCOCc1ccccc1Br 34a_100000211926_100000184730 [0,2,0,0,0,0|1,0,1]=4 8642 B12R1.267 BrCCOCc1ccccc1I 34a_100000211926_100011215278 [0,2,0,0,0,0|1,0,1]=4 8643 B12R1.267 C#CCCOc1ccccc1Br 34a_100000181306_100000688953 [0,2,0,0,0,0|0,0,2]=4 8644 B12R1.267 C#CCCOc1ccccc1Br 7a_100000181306_100000688953 [0,2,0,0,0,0|0,0,2]=4 8645 B12R1.267 C#CCCOc1ccccc1C 34a_100000210338_100000688953 [0,2,0,0,0,0|0,0,2]=4 8646 B12R1.267 C#CCCOc1ccccc1C 7a_100000210338_100000688953 [0,2,0,0,0,0|0,0,2]=4 8647 B12R1.267 C#CCCOc1ccccc1Cl 34a_100000210172_100000688953 [0,2,0,0,0,0|0,0,2]=4 8648 B12R1.267 C#CCCOc1ccccc1Cl 7a_100000210172_100000688953 [0,2,0,0,0,0|0,0,2]=4 8649 B12R1.267 C#CCCOc1ccccc1F 34a_100000210171_100000688953 [0,2,0,0,0,0|0,0,2]=4 8650 B12R1.267 C#CCCOc1ccccc1F 7a_100000210171_100000688953 [0,2,0,0,0,0|0,0,2]=4 8651 B12R1.267 C#CCCOc1ccccc1I 34a_100000739446_100000688953 [0,2,0,0,0,0|0,0,2]=4 8652 B12R1.267 C#CCCOc1ccccc1I 7a_100000739446_100000688953 [0,2,0,0,0,0|0,0,2]=4 8653 B12R1.267 C#CCCOc1ccccc1N 34a_100000185747_100000688953 [0,2,0,0,0,0|0,0,2]=4 8654 B12R1.267 C#CCCOc1ccccc1N 7a_100000185747_100000688953 [0,2,0,0,0,0|0,0,2]=4 8655 B12R1.267 C#CCOCc1ccccc1Br 34a_100000210247_100000184730 [0,2,0,0,0,0|0,0,2]=4 8656 B12R1.267 C#CCOCc1ccccc1Br 34a_100000756307_100000184674 [0,2,0,0,0,0|0,0,2]=4 8657 B12R1.267 C#CCOCc1ccccc1Br 7a_100000756307_100000038162 [0,2,0,0,0,0|0,0,2]=4 8658 B12R1.267 C#CCOCc1ccccc1C 34a_100000210247_100000211839 [0,2,0,0,0,0|0,0,2]=4 8659 B12R1.267 C#CCOCc1ccccc1C 34a_100000698903_100000184674 [0,2,0,0,0,0|0,0,2]=4 8660 B12R1.267 C#CCOCc1ccccc1C 7a_100000698903_100000038162 [0,2,0,0,0,0|0,0,2]=4 8661 B12R1.267 C#CCOCc1ccccc1Cl 34a_100000210247_100000187162 [0,2,0,0,0,0|0,0,2]=4 8662 B12R1.267 C#CCOCc1ccccc1Cl 34a_100000210847_100000184674 [0,2,0,0,0,0|0,0,2]=4 8663 B12R1.267 C#CCOCc1ccccc1Cl 7a_100000210847_100000038162 [0,2,0,0,0,0|0,0,2]=4 8664 B12R1.267 C#CCOCc1ccccc1F 34a_100000210247_100000211605 [0,2,0,0,0,0|0,0,2]=4 8665 B12R1.267 C#CCOCc1ccccc1F 34a_100000211962_100000184674 [0,2,0,0,0,0|0,0,2]=4 8666 B12R1.267 C#CCOCc1ccccc1F 7a_100000211962_100000038162 [0,2,0,0,0,0|0,0,2]=4 8667 B12R1.267 C#CCOCc1ccccc1I 34a_100000187465_100000184674 [0,2,0,0,0,0|0,0,2]=4 8668 B12R1.267 C#CCOCc1ccccc1I 34a_100000210247_100011215278 [0,2,0,0,0,0|0,0,2]=4 8669 B12R1.267 C#CCOCc1ccccc1I 7a_100000187465_100000038162 [0,2,0,0,0,0|0,0,2]=4 8670 B12R1.267 C#CCOCc1ccccc1N 34a_100000212039_100000184674 [0,2,0,0,0,0|0,0,2]=4 8671 B12R1.267 C/C=C/CNc1ccccc1Br 34a_100000210017_100102629194 [0,2,0,0,0,0|1,0,0]=3 8672 B12R1.267 C/C=C/CNc1ccccc1C 34a_100015192222_100102629194 [0,2,0,0,0,0|1,0,0]=3 8673 B12R1.267 C/C=C/CNc1ccccc1Cl 34a_100000185783_100102629194 [0,2,0,0,0,0|1,0,0]=3 8674 B12R1.267 C/C=C/CNc1ccccc1F 34a_100000210422_100102629194 [0,2,0,0,0,0|1,0,0]=3 8675 B12R1.267 C/C=C/CNc1ccccc1I 34a_100000210053_100102629194 [0,2,0,0,0,0|1,0,0]=3 8676 B12R1.267 C/C=C/CNc1ccccc1O 34a_100000185747_100102629194 [0,2,0,0,0,0|1,0,0]=3 8677 B12R1.267 C/C=C/COc1cccc[n+]1[O-] 7a_100000211761_100102629194 [0,2,0,0,0,0|1,0,0]=3 8678 B12R1.267 C/C=C/COc1ccccc1Br 34a_100000181306_100102629194 [0,2,0,0,0,0|0,0,0]=2 8679 B12R1.267 C/C=C/COc1ccccc1Br 7a_100000181306_100102629194 [0,2,0,0,0,0|0,0,0]=2 8680 B12R1.267 C/C=C/COc1ccccc1C 34a_100000210338_100102629194 [0,2,0,0,0,0|0,0,0]=2 8681 B12R1.267 C/C=C/COc1ccccc1C 7a_100000210338_100102629194 [0,2,0,0,0,0|0,0,0]=2 8682 B12R1.267 C/C=C/COc1ccccc1Cl 34a_100000210172_100102629194 [0,2,0,0,0,0|0,0,0]=2 8683 B12R1.267 C/C=C/COc1ccccc1Cl 7a_100000210172_100102629194 [0,2,0,0,0,0|0,0,0]=2 8684 B12R1.267 C/C=C/COc1ccccc1F 34a_100000210171_100102629194 [0,2,0,0,0,0|0,0,0]=2 8685 B12R1.267 C/C=C/COc1ccccc1F 7a_100000210171_100102629194 [0,2,0,0,0,0|0,0,0]=2 8686 B12R1.267 C/C=C/COc1ccccc1I 34a_100000739446_100102629194 [0,2,0,0,0,0|0,0,0]=2 8687 B12R1.267 C/C=C/COc1ccccc1I 7a_100000739446_100102629194 [0,2,0,0,0,0|0,0,0]=2 8688 B12R1.267 C/C=C/COc1ccccc1N 34a_100000185747_100102629194 [0,2,0,0,0,0|0,0,0]=2 8689 B12R1.267 C/C=C/COc1ccccc1N 7a_100000185747_100102629194 [0,2,0,0,0,0|0,0,0]=2 8690 B12R1.267 C/C=C/COc1cccnc1Br 34a_100000744436_100102629194 [0,2,0,0,0,0|1,0,0]=3 8691 B12R1.267 C/C=C/COc1cccnc1Br 7a_100000744436_100102629194 [0,2,0,0,0,0|1,0,0]=3 8692 B12R1.267 C/C=C/COc1cccnc1C 34a_100000745507_100102629194 [0,2,0,0,0,0|1,0,0]=3 8693 B12R1.267 C/C=C/COc1cccnc1C 7a_100000745507_100102629194 [0,2,0,0,0,0|1,0,0]=3 8694 B12R1.267 C/C=C/COc1cccnc1Cl 34a_100000757616_100102629194 [0,2,0,0,0,0|1,0,0]=3 8695 B12R1.267 C/C=C/COc1cccnc1Cl 7a_100000757616_100102629194 [0,2,0,0,0,0|1,0,0]=3 8696 B12R1.267 C/C=C/COc1cccnc1F 34a_100000061740_100102629194 [0,2,0,0,0,0|1,0,0]=3 8697 B12R1.267 C/C=C/COc1cccnc1F 7a_100000061740_100102629194 [0,2,0,0,0,0|1,0,0]=3 8698 B12R1.267 C/C=C/COc1cccnc1I 34a_100000034122_100102629194 [0,2,0,0,0,0|1,0,0]=3 8699 B12R1.267 C/C=C/COc1cccnc1I 7a_100000034122_100102629194 [0,2,0,0,0,0|1,0,0]=3 8700 B12R1.267 C/C=C/COc1cccnc1N 34a_100000211975_100102629194 [0,2,0,0,0,0|1,0,0]=3 8701 B12R1.267 C/C=C/COc1cccnc1N 7a_100000211975_100102629194 [0,2,0,0,0,0|1,0,0]=3 8702 B12R1.267 C/C=C/COc1cccoc1=O 34a_100000077404_100102629194 [0,2,0,0,0,0|1,0,0]=3 8703 B12R1.267 C/C=C/COc1cccoc1=O 7a_100000077404_100102629194 [0,2,0,0,0,0|1,0,0]=3 8704 B12R1.267 C/C=C/COc1ccncc1Br 34a_100011996408_100102629194 [0,2,0,0,0,0|1,0,0]=3 8705 B12R1.267 C/C=C/COc1ccncc1C 34a_100000694293_100102629194 [0,2,0,0,0,0|1,0,0]=3 8706 B12R1.267 C/C=C/COc1ccncc1Cl 34a_100011997054_100102629194 [0,2,0,0,0,0|1,0,0]=3 8707 B12R1.267 C/C=C/COc1ccncc1F 34a_200000081243_100102629194 [0,2,0,0,0,0|1,0,0]=3 8708 B12R1.267 C/C=C/COc1cnccc1C 34a_100011997053_100102629194 [0,2,0,0,0,0|1,0,0]=3 8709 B12R1.267 C/C=C/COc1cnccc1C 7a_100011997053_100102629194 [0,2,0,0,0,0|1,0,0]=3 8710 B12R1.267 C/C=C/COc1cnccc1Cl 34a_100011996695_100102629194 [0,2,0,0,0,0|1,0,0]=3 8711 B12R1.267 C/C=C/COc1cnccc1I 34a_100000050107_100102629194 [0,2,0,0,0,0|1,0,0]=3 8712 B12R1.267 C/C=C/COc1cnccc1N 34a_100000753702_100102629194 [0,2,0,0,0,0|1,0,0]=3 8713 B12R1.267 C/C=C/COc1cncnc1N 7a_100000112926_100102629194 [0,2,0,0,0,0|2,0,0]=4 8714 B12R1.267 C/C=C/COc1coccc1=O 34a_100000060831_100102629194 [0,2,0,0,0,0|1,0,0]=3 8715 B12R1.267 C/C=C/COc1ncccc1Cl 34a_100011290957_100102629194 [0,2,0,0,0,0|1,0,0]=3 8716 B12R1.267 C/C=C/COc1ncccc1F 34a_100011219419_100102629194 [0,2,0,0,0,0|1,0,0]=3 8717 B12R1.267 C/C=C/COc1ncccc1N 34a_100000746358_100102629194 [0,2,0,0,0,0|1,0,0]=3 8718 B12R1.267 C/C=C/COc1nccnc1C 34a_100000766352_100102629194 [0,2,0,0,0,0|2,0,0]=4 8719 B12R1.267 C/C=C/CSc1c[nH]ccc1=O 62a_100009998708_100102629194 [0,2,0,0,0,0|1,1,0]=4 8720 B12R1.267 C/C=C/CSc1c[nH]ccc1=O 62a_100102629194_100009998708 [0,2,0,0,0,0|1,1,0]=4 8721 B12R1.267 C/C=C/CSc1c[nH]ccc1=S 62a_100102629194_200012280681 [0,2,0,0,0,0|1,1,0]=4 8722 B12R1.267 C/C=C/CSc1c[nH]ccc1=S 62a_200012280681_100102629194 [0,2,0,0,0,0|1,1,0]=4 8723 B12R1.267 C/C=C/CSc1cccc[n+]1C 62a_100102629194_100000212160 [0,2,0,0,0,0|1,1,0]=4 8724 B12R1.267 C/C=C/CSc1cccc[n+]1[O-] 62a_100102629194_200000042595 [0,2,0,0,0,0|1,1,0]=4 8725 B12R1.267 C/C=C/CSc1ccccc1Br 62a_100000695589_100102629194 [0,2,0,0,0,0|0,1,0]=3 8726 B12R1.267 C/C=C/CSc1ccccc1Br 62a_100102629194_100000695589 [0,2,0,0,0,0|0,1,0]=3 8727 B12R1.267 C/C=C/CSc1ccccc1C 62a_100000210755_100102629194 [0,2,0,0,0,0|0,1,0]=3 8728 B12R1.267 C/C=C/CSc1ccccc1C 62a_100102629194_100000210755 [0,2,0,0,0,0|0,1,0]=3 8729 B12R1.267 C/C=C/CSc1ccccc1Cl 62a_100000764095_100102629194 [0,2,0,0,0,0|0,1,0]=3 8730 B12R1.267 C/C=C/CSc1ccccc1Cl 62a_100102629194_100000764095 [0,2,0,0,0,0|0,1,0]=3 8731 B12R1.267 C/C=C/CSc1ccccc1F 62a_100011215700_100102629194 [0,2,0,0,0,0|0,1,0]=3 8732 B12R1.267 C/C=C/CSc1ccccc1F 62a_100102629194_100011215700 [0,2,0,0,0,0|0,1,0]=3 8733 B12R1.267 C/C=C/CSc1ccccc1N 62a_100000210017_100102629194 [0,2,0,0,0,0|0,1,0]=3 8734 B12R1.267 C/C=C/CSc1ccccc1N 62a_100102629194_100000210017 [0,2,0,0,0,0|0,1,0]=3 8735 B12R1.267 C/C=C/CSc1ccccc1O 62a_100000739446_100102629194 [0,2,0,0,0,0|0,1,0]=3 8736 B12R1.267 C/C=C/CSc1ccccc1O 62a_100102629194_100000739446 [0,2,0,0,0,0|0,1,0]=3 8737 B12R1.267 C/C=C/CSc1cccnc1Br 62a_100010202626_100102629194 [0,2,0,0,0,0|1,1,0]=4 8738 B12R1.267 C/C=C/CSc1cccnc1Br 62a_100102629194_100010202626 [0,2,0,0,0,0|1,1,0]=4 8739 B12R1.267 C/C=C/CSc1cccnc1C 62a_100000751574_100102629194 [0,2,0,0,0,0|1,1,0]=4 8740 B12R1.267 C/C=C/CSc1cccnc1C 62a_100102629194_100000751574 [0,2,0,0,0,0|1,1,0]=4 8741 B12R1.267 C/C=C/CSc1cccnc1Cl 62a_100000036424_100102629194 [0,2,0,0,0,0|1,1,0]=4 8742 B12R1.267 C/C=C/CSc1cccnc1Cl 62a_100102629194_100000036424 [0,2,0,0,0,0|1,1,0]=4 8743 B12R1.267 C/C=C/CSc1cccnc1F 62a_100009816115_100102629194 [0,2,0,0,0,0|1,1,0]=4 8744 B12R1.267 C/C=C/CSc1cccnc1F 62a_100102629194_100009816115 [0,2,0,0,0,0|1,1,0]=4 8745 B12R1.267 C/C=C/CSc1cccnc1N 62a_100000045569_100102629194 [0,2,0,0,0,0|1,1,0]=4 8746 B12R1.267 C/C=C/CSc1cccnc1N 62a_100102629194_100000045569 [0,2,0,0,0,0|1,1,0]=4 8747 B12R1.267 C/C=C/CSc1cccnc1O 62a_100000760158_100102629194 [0,2,0,0,0,0|1,1,0]=4 8748 B12R1.267 C/C=C/CSc1cccnc1O 62a_100102629194_100000760158 [0,2,0,0,0,0|1,1,0]=4 8749 B12R1.267 C/C=C/CSc1ccncc1Br 62a_100000726257_100102629194 [0,2,0,0,0,0|1,1,0]=4 8750 B12R1.267 C/C=C/CSc1ccncc1Br 62a_100102629194_100000726257 [0,2,0,0,0,0|1,1,0]=4 8751 B12R1.267 C/C=C/CSc1ccncc1C 62a_100000765111_100102629194 [0,2,0,0,0,0|1,1,0]=4 8752 B12R1.267 C/C=C/CSc1ccncc1C 62a_100102629194_100000765111 [0,2,0,0,0,0|1,1,0]=4 8753 B12R1.267 C/C=C/CSc1ccncc1Cl 62a_100000708259_100102629194 [0,2,0,0,0,0|1,1,0]=4 8754 B12R1.267 C/C=C/CSc1ccncc1Cl 62a_100102629194_100000708259 [0,2,0,0,0,0|1,1,0]=4 8755 B12R1.267 C/C=C/CSc1ccncc1F 62a_100000047030_100102629194 [0,2,0,0,0,0|1,1,0]=4 8756 B12R1.267 C/C=C/CSc1ccncc1F 62a_100102629194_100000047030 [0,2,0,0,0,0|1,1,0]=4 8757 B12R1.267 C/C=C/CSc1ccncc1N 62a_100000756074_100102629194 [0,2,0,0,0,0|1,1,0]=4 8758 B12R1.267 C/C=C/CSc1ccncc1N 62a_100102629194_100000756074 [0,2,0,0,0,0|1,1,0]=4 8759 B12R1.267 C/C=C/CSc1ccncc1O 62a_100009817591_100102629194 [0,2,0,0,0,0|1,1,0]=4 8760 B12R1.267 C/C=C/CSc1ccncc1O 62a_100102629194_100009817591 [0,2,0,0,0,0|1,1,0]=4 8761 B12R1.267 C/C=C/CSc1cnccc1Br 62a_100010138639_100102629194 [0,2,0,0,0,0|1,1,0]=4 8762 B12R1.267 C/C=C/CSc1cnccc1Br 62a_100102629194_100010138639 [0,2,0,0,0,0|1,1,0]=4 8763 B12R1.267 C/C=C/CSc1cnccc1C 62a_100000761580_100102629194 [0,2,0,0,0,0|1,1,0]=4 8764 B12R1.267 C/C=C/CSc1cnccc1C 62a_100102629194_100000761580 [0,2,0,0,0,0|1,1,0]=4 8765 B12R1.267 C/C=C/CSc1cnccc1Cl 62a_100009995489_100102629194 [0,2,0,0,0,0|1,1,0]=4 8766 B12R1.267 C/C=C/CSc1cnccc1Cl 62a_100102629194_100009995489 [0,2,0,0,0,0|1,1,0]=4 8767 B12R1.267 C/C=C/CSc1cnccc1F 62a_100009820683_100102629194 [0,2,0,0,0,0|1,1,0]=4 8768 B12R1.267 C/C=C/CSc1cnccc1F 62a_100102629194_100009820683 [0,2,0,0,0,0|1,1,0]=4 8769 B12R1.267 C/C=C/CSc1cnccc1N 62a_100000047001_100102629194 [0,2,0,0,0,0|1,1,0]=4 8770 B12R1.267 C/C=C/CSc1cnccc1N 62a_100102629194_100000047001 [0,2,0,0,0,0|1,1,0]=4 8771 B12R1.267 C/C=C/CSc1ncccc1Br 62a_100000696092_100102629194 [0,2,0,0,0,0|1,1,0]=4 8772 B12R1.267 C/C=C/CSc1ncccc1Br 62a_100102629194_100000696092 [0,2,0,0,0,0|1,1,0]=4 8773 B12R1.267 C/C=C/CSc1ncccc1C 62a_100000751373_100102629194 [0,2,0,0,0,0|1,1,0]=4 8774 B12R1.267 C/C=C/CSc1ncccc1C 62a_100102629194_100000751373 [0,2,0,0,0,0|1,1,0]=4 8775 B12R1.267 C/C=C/CSc1ncccc1Cl 62a_100011356963_100102629194 [0,2,0,0,0,0|1,1,0]=4 8776 B12R1.267 C/C=C/CSc1ncccc1Cl 62a_100102629194_100011356963 [0,2,0,0,0,0|1,1,0]=4 8777 B12R1.267 C/C=C/CSc1ncccc1F 62a_100000685392_100102629194 [0,2,0,0,0,0|1,1,0]=4 8778 B12R1.267 C/C=C/CSc1ncccc1F 62a_100102629194_100000685392 [0,2,0,0,0,0|1,1,0]=4 8779 B12R1.267 C/C=C/CSc1ncccc1N 62a_100000688686_100102629194 [0,2,0,0,0,0|1,1,0]=4 8780 B12R1.267 C/C=C/CSc1ncccc1N 62a_100102629194_100000688686 [0,2,0,0,0,0|1,1,0]=4 8781 B12R1.267 C/C=C/CSc1ncccc1O 62a_100000034122_100102629194 [0,2,0,0,0,0|1,1,0]=4 8782 B12R1.267 C/C=C/CSc1ncccc1O 62a_100102629194_100000034122 [0,2,0,0,0,0|1,1,0]=4 8783 B12R1.267 C=CCCNc1ccccc1Br 34a_100000210017_100000754431 [0,2,0,0,0,0|1,0,0]=3 8784 B12R1.267 C=CCCNc1ccccc1C 34a_100015192222_100000754431 [0,2,0,0,0,0|1,0,0]=3 8785 B12R1.267 C=CCCNc1ccccc1Cl 34a_100000185783_100000754431 [0,2,0,0,0,0|1,0,0]=3 8786 B12R1.267 C=CCCNc1ccccc1F 34a_100000210422_100000754431 [0,2,0,0,0,0|1,0,0]=3 8787 B12R1.267 C=CCCNc1ccccc1I 34a_100000210053_100000754431 [0,2,0,0,0,0|1,0,0]=3 8788 B12R1.267 C=CCCNc1ccccc1O 34a_100000185747_100000754431 [0,2,0,0,0,0|1,0,0]=3 8789 B12R1.267 C=CCCNc1ccncc1Br 27a_100015191253_100000726257 [0,2,0,0,0,0|2,0,0]=4 8790 B12R1.267 C=CCCNc1ccncc1C 27a_100015191253_100000765111 [0,2,0,0,0,0|2,0,0]=4 8791 B12R1.267 C=CCCNc1ccncc1F 27a_100015191253_100000035921 [0,2,0,0,0,0|2,0,0]=4 8792 B12R1.267 C=CCCNc1ncccc1Br 27a_100015191253_100000696092 [0,2,0,0,0,0|2,0,0]=4 8793 B12R1.267 C=CCCOc1cccc[n+]1[O-] 7a_100000211761_100000754431 [0,2,0,0,0,0|1,0,0]=3 8794 B12R1.267 C=CCCOc1ccccc1Br 34a_100000181306_100000754431 [0,2,0,0,0,0|0,0,0]=2 8795 B12R1.267 C=CCCOc1ccccc1Br 7a_100000181306_100000754431 [0,2,0,0,0,0|0,0,0]=2 8796 B12R1.267 C=CCCOc1ccccc1C 34a_100000210338_100000754431 [0,2,0,0,0,0|0,0,0]=2 8797 B12R1.267 C=CCCOc1ccccc1C 7a_100000210338_100000754431 [0,2,0,0,0,0|0,0,0]=2 8798 B12R1.267 C=CCCOc1ccccc1Cl 34a_100000210172_100000754431 [0,2,0,0,0,0|0,0,0]=2 8799 B12R1.267 C=CCCOc1ccccc1Cl 7a_100000210172_100000754431 [0,2,0,0,0,0|0,0,0]=2 8800 B12R1.267 C=CCCOc1ccccc1F 34a_100000210171_100000754431 [0,2,0,0,0,0|0,0,0]=2 8801 B12R1.267 C=CCCOc1ccccc1F 7a_100000210171_100000754431 [0,2,0,0,0,0|0,0,0]=2 8802 B12R1.267 C=CCCOc1ccccc1I 34a_100000739446_100000754431 [0,2,0,0,0,0|0,0,0]=2 8803 B12R1.267 C=CCCOc1ccccc1I 7a_100000739446_100000754431 [0,2,0,0,0,0|0,0,0]=2 8804 B12R1.267 C=CCCOc1ccccc1N 34a_100000185747_100000754431 [0,2,0,0,0,0|0,0,0]=2 8805 B12R1.267 C=CCCOc1ccccc1N 7a_100000185747_100000754431 [0,2,0,0,0,0|0,0,0]=2 8806 B12R1.267 C=CCCOc1cccnc1Br 34a_100000744436_100000754431 [0,2,0,0,0,0|1,0,0]=3 8807 B12R1.267 C=CCCOc1cccnc1Br 7a_100000744436_100000754431 [0,2,0,0,0,0|1,0,0]=3 8808 B12R1.267 C=CCCOc1cccnc1C 34a_100000745507_100000754431 [0,2,0,0,0,0|1,0,0]=3 8809 B12R1.267 C=CCCOc1cccnc1C 7a_100000745507_100000754431 [0,2,0,0,0,0|1,0,0]=3 8810 B12R1.267 C=CCCOc1cccnc1Cl 34a_100000757616_100000754431 [0,2,0,0,0,0|1,0,0]=3 8811 B12R1.267 C=CCCOc1cccnc1Cl 7a_100000757616_100000754431 [0,2,0,0,0,0|1,0,0]=3 8812 B12R1.267 C=CCCOc1cccnc1F 34a_100000061740_100000754431 [0,2,0,0,0,0|1,0,0]=3 8813 B12R1.267 C=CCCOc1cccnc1F 7a_100000061740_100000754431 [0,2,0,0,0,0|1,0,0]=3 8814 B12R1.267 C=CCCOc1cccnc1I 34a_100000034122_100000754431 [0,2,0,0,0,0|1,0,0]=3 8815 B12R1.267 C=CCCOc1cccnc1I 7a_100000034122_100000754431 [0,2,0,0,0,0|1,0,0]=3 8816 B12R1.267 C=CCCOc1cccnc1N 34a_100000211975_100000754431 [0,2,0,0,0,0|1,0,0]=3 8817 B12R1.267 C=CCCOc1cccnc1N 7a_100000211975_100000754431 [0,2,0,0,0,0|1,0,0]=3 8818 B12R1.267 C=CCCOc1cccoc1=O 34a_100000077404_100000754431 [0,2,0,0,0,0|1,0,0]=3 8819 B12R1.267 C=CCCOc1cccoc1=O 7a_100000077404_100000754431 [0,2,0,0,0,0|1,0,0]=3 8820 B12R1.267 C=CCCOc1ccncc1Br 34a_100011996408_100000754431 [0,2,0,0,0,0|1,0,0]=3 8821 B12R1.267 C=CCCOc1ccncc1C 34a_100000694293_100000754431 [0,2,0,0,0,0|1,0,0]=3 8822 B12R1.267 C=CCCOc1ccncc1Cl 34a_100011997054_100000754431 [0,2,0,0,0,0|1,0,0]=3 8823 B12R1.267 C=CCCOc1ccncc1F 34a_200000081243_100000754431 [0,2,0,0,0,0|1,0,0]=3 8824 B12R1.267 C=CCCOc1cnccc1C 34a_100011997053_100000754431 [0,2,0,0,0,0|1,0,0]=3 8825 B12R1.267 C=CCCOc1cnccc1C 7a_100011997053_100000754431 [0,2,0,0,0,0|1,0,0]=3 8826 B12R1.267 C=CCCOc1cnccc1Cl 34a_100011996695_100000754431 [0,2,0,0,0,0|1,0,0]=3 8827 B12R1.267 C=CCCOc1cnccc1I 34a_100000050107_100000754431 [0,2,0,0,0,0|1,0,0]=3 8828 B12R1.267 C=CCCOc1cnccc1N 34a_100000753702_100000754431 [0,2,0,0,0,0|1,0,0]=3 8829 B12R1.267 C=CCCOc1cncnc1N 7a_100000112926_100000754431 [0,2,0,0,0,0|2,0,0]=4 8830 B12R1.267 C=CCCOc1coccc1=O 34a_100000060831_100000754431 [0,2,0,0,0,0|1,0,0]=3 8831 B12R1.267 C=CCCOc1ncccc1Cl 34a_100011290957_100000754431 [0,2,0,0,0,0|1,0,0]=3 8832 B12R1.267 C=CCCOc1ncccc1F 34a_100011219419_100000754431 [0,2,0,0,0,0|1,0,0]=3 8833 B12R1.267 C=CCCOc1ncccc1N 34a_100000746358_100000754431 [0,2,0,0,0,0|1,0,0]=3 8834 B12R1.267 C=CCCOc1nccnc1C 34a_100000766352_100000754431 [0,2,0,0,0,0|2,0,0]=4 8835 B12R1.267 C=CCCSc1c[nH]ccc1=O 62a_100000754431_100009998708 [0,2,0,0,0,0|1,1,0]=4 8836 B12R1.267 C=CCCSc1c[nH]ccc1=O 62a_100009998708_100000754431 [0,2,0,0,0,0|1,1,0]=4 8837 B12R1.267 C=CCCSc1c[nH]ccc1=S 62a_100000754431_200012280681 [0,2,0,0,0,0|1,1,0]=4 8838 B12R1.267 C=CCCSc1c[nH]ccc1=S 62a_200012280681_100000754431 [0,2,0,0,0,0|1,1,0]=4 8839 B12R1.267 C=CCCSc1cccc[n+]1C 62a_100000754431_100000212160 [0,2,0,0,0,0|1,1,0]=4 8840 B12R1.267 C=CCCSc1cccc[n+]1[O-] 62a_100000754431_200000042595 [0,2,0,0,0,0|1,1,0]=4 8841 B12R1.267 C=CCCSc1ccccc1Br 62a_100000695589_100000754431 [0,2,0,0,0,0|0,1,0]=3 8842 B12R1.267 C=CCCSc1ccccc1Br 62a_100000754431_100000695589 [0,2,0,0,0,0|0,1,0]=3 8843 B12R1.267 C=CCCSc1ccccc1C 62a_100000210755_100000754431 [0,2,0,0,0,0|0,1,0]=3 8844 B12R1.267 C=CCCSc1ccccc1C 62a_100000754431_100000210755 [0,2,0,0,0,0|0,1,0]=3 8845 B12R1.267 C=CCCSc1ccccc1Cl 62a_100000754431_100000764095 [0,2,0,0,0,0|0,1,0]=3 8846 B12R1.267 C=CCCSc1ccccc1Cl 62a_100000764095_100000754431 [0,2,0,0,0,0|0,1,0]=3 8847 B12R1.267 C=CCCSc1ccccc1F 62a_100000754431_100011215700 [0,2,0,0,0,0|0,1,0]=3 8848 B12R1.267 C=CCCSc1ccccc1F 62a_100011215700_100000754431 [0,2,0,0,0,0|0,1,0]=3 8849 B12R1.267 C=CCCSc1ccccc1N 62a_100000210017_100000754431 [0,2,0,0,0,0|0,1,0]=3 8850 B12R1.267 C=CCCSc1ccccc1N 62a_100000754431_100000210017 [0,2,0,0,0,0|0,1,0]=3 8851 B12R1.267 C=CCCSc1ccccc1O 62a_100000739446_100000754431 [0,2,0,0,0,0|0,1,0]=3 8852 B12R1.267 C=CCCSc1ccccc1O 62a_100000754431_100000739446 [0,2,0,0,0,0|0,1,0]=3 8853 B12R1.267 C=CCCSc1cccnc1Br 62a_100000754431_100010202626 [0,2,0,0,0,0|1,1,0]=4 8854 B12R1.267 C=CCCSc1cccnc1Br 62a_100010202626_100000754431 [0,2,0,0,0,0|1,1,0]=4 8855 B12R1.267 C=CCCSc1cccnc1C 62a_100000751574_100000754431 [0,2,0,0,0,0|1,1,0]=4 8856 B12R1.267 C=CCCSc1cccnc1C 62a_100000754431_100000751574 [0,2,0,0,0,0|1,1,0]=4 8857 B12R1.267 C=CCCSc1cccnc1Cl 62a_100000036424_100000754431 [0,2,0,0,0,0|1,1,0]=4 8858 B12R1.267 C=CCCSc1cccnc1Cl 62a_100000754431_100000036424 [0,2,0,0,0,0|1,1,0]=4 8859 B12R1.267 C=CCCSc1cccnc1F 62a_100000754431_100009816115 [0,2,0,0,0,0|1,1,0]=4 8860 B12R1.267 C=CCCSc1cccnc1F 62a_100009816115_100000754431 [0,2,0,0,0,0|1,1,0]=4 8861 B12R1.267 C=CCCSc1cccnc1N 62a_100000045569_100000754431 [0,2,0,0,0,0|1,1,0]=4 8862 B12R1.267 C=CCCSc1cccnc1N 62a_100000754431_100000045569 [0,2,0,0,0,0|1,1,0]=4 8863 B12R1.267 C=CCCSc1cccnc1O 62a_100000754431_100000760158 [0,2,0,0,0,0|1,1,0]=4 8864 B12R1.267 C=CCCSc1cccnc1O 62a_100000760158_100000754431 [0,2,0,0,0,0|1,1,0]=4 8865 B12R1.267 C=CCCSc1ccncc1Br 62a_100000726257_100000754431 [0,2,0,0,0,0|1,1,0]=4 8866 B12R1.267 C=CCCSc1ccncc1Br 62a_100000754431_100000726257 [0,2,0,0,0,0|1,1,0]=4 8867 B12R1.267 C=CCCSc1ccncc1C 62a_100000754431_100000765111 [0,2,0,0,0,0|1,1,0]=4 8868 B12R1.267 C=CCCSc1ccncc1C 62a_100000765111_100000754431 [0,2,0,0,0,0|1,1,0]=4 8869 B12R1.267 C=CCCSc1ccncc1Cl 62a_100000708259_100000754431 [0,2,0,0,0,0|1,1,0]=4 8870 B12R1.267 C=CCCSc1ccncc1Cl 62a_100000754431_100000708259 [0,2,0,0,0,0|1,1,0]=4 8871 B12R1.267 C=CCCSc1ccncc1F 62a_100000047030_100000754431 [0,2,0,0,0,0|1,1,0]=4 8872 B12R1.267 C=CCCSc1ccncc1F 62a_100000754431_100000047030 [0,2,0,0,0,0|1,1,0]=4 8873 B12R1.267 C=CCCSc1ccncc1N 62a_100000754431_100000756074 [0,2,0,0,0,0|1,1,0]=4 8874 B12R1.267 C=CCCSc1ccncc1N 62a_100000756074_100000754431 [0,2,0,0,0,0|1,1,0]=4 8875 B12R1.267 C=CCCSc1ccncc1O 62a_100000754431_100009817591 [0,2,0,0,0,0|1,1,0]=4 8876 B12R1.267 C=CCCSc1ccncc1O 62a_100009817591_100000754431 [0,2,0,0,0,0|1,1,0]=4 8877 B12R1.267 C=CCCSc1cnccc1Br 62a_100000754431_100010138639 [0,2,0,0,0,0|1,1,0]=4 8878 B12R1.267 C=CCCSc1cnccc1Br 62a_100010138639_100000754431 [0,2,0,0,0,0|1,1,0]=4 8879 B12R1.267 C=CCCSc1cnccc1C 62a_100000754431_100000761580 [0,2,0,0,0,0|1,1,0]=4 8880 B12R1.267 C=CCCSc1cnccc1C 62a_100000761580_100000754431 [0,2,0,0,0,0|1,1,0]=4 8881 B12R1.267 C=CCCSc1cnccc1Cl 62a_100000754431_100009995489 [0,2,0,0,0,0|1,1,0]=4 8882 B12R1.267 C=CCCSc1cnccc1Cl 62a_100009995489_100000754431 [0,2,0,0,0,0|1,1,0]=4 8883 B12R1.267 C=CCCSc1cnccc1F 62a_100000754431_100009820683 [0,2,0,0,0,0|1,1,0]=4 8884 B12R1.267 C=CCCSc1cnccc1F 62a_100009820683_100000754431 [0,2,0,0,0,0|1,1,0]=4 8885 B12R1.267 C=CCCSc1cnccc1N 62a_100000047001_100000754431 [0,2,0,0,0,0|1,1,0]=4 8886 B12R1.267 C=CCCSc1cnccc1N 62a_100000754431_100000047001 [0,2,0,0,0,0|1,1,0]=4 8887 B12R1.267 C=CCCSc1ncccc1Br 62a_100000696092_100000754431 [0,2,0,0,0,0|1,1,0]=4 8888 B12R1.267 C=CCCSc1ncccc1Br 62a_100000754431_100000696092 [0,2,0,0,0,0|1,1,0]=4 8889 B12R1.267 C=CCCSc1ncccc1C 62a_100000751373_100000754431 [0,2,0,0,0,0|1,1,0]=4 8890 B12R1.267 C=CCCSc1ncccc1C 62a_100000754431_100000751373 [0,2,0,0,0,0|1,1,0]=4 8891 B12R1.267 C=CCCSc1ncccc1Cl 62a_100000754431_100011356963 [0,2,0,0,0,0|1,1,0]=4 8892 B12R1.267 C=CCCSc1ncccc1Cl 62a_100011356963_100000754431 [0,2,0,0,0,0|1,1,0]=4 8893 B12R1.267 C=CCCSc1ncccc1F 62a_100000685392_100000754431 [0,2,0,0,0,0|1,1,0]=4 8894 B12R1.267 C=CCCSc1ncccc1F 62a_100000754431_100000685392 [0,2,0,0,0,0|1,1,0]=4 8895 B12R1.267 C=CCCSc1ncccc1N 62a_100000688686_100000754431 [0,2,0,0,0,0|1,1,0]=4 8896 B12R1.267 C=CCCSc1ncccc1N 62a_100000754431_100000688686 [0,2,0,0,0,0|1,1,0]=4 8897 B12R1.267 C=CCCSc1ncccc1O 62a_100000034122_100000754431 [0,2,0,0,0,0|1,1,0]=4 8898 B12R1.267 C=CCCSc1ncccc1O 62a_100000754431_100000034122 [0,2,0,0,0,0|1,1,0]=4 8899 B12R1.267 C=CCNCc1ccccc1Br 2230a_100000689332_100000210623 [0,2,0,0,0,0|1,0,0]=3 8900 B12R1.267 C=CCNCc1ccccc1Br 2230a_100020586998_100000184730 [0,2,0,0,0,0|1,0,0]=3 8901 B12R1.267 C=CCNCc1ccccc1Br 270004a_100020586998_100000211189 [0,2,0,0,0,0|1,0,0]=3 8902 B12R1.267 C=CCNCc1ccccc1Br 34a_100000689332_100015514636 [0,2,0,0,0,0|1,0,0]=3 8903 B12R1.267 C=CCNCc1ccccc1C 2230a_100020586998_100000211839 [0,2,0,0,0,0|1,0,0]=3 8904 B12R1.267 C=CCNCc1ccccc1C 270004a_100020586998_100000211143 [0,2,0,0,0,0|1,0,0]=3 8905 B12R1.267 C=CCNCc1ccccc1C 34a_100000174972_100015514636 [0,2,0,0,0,0|1,0,0]=3 8906 B12R1.267 C=CCNCc1ccccc1Cl 2230a_100000174879_100000210623 [0,2,0,0,0,0|1,0,0]=3 8907 B12R1.267 C=CCNCc1ccccc1Cl 2230a_100020586998_100000187162 [0,2,0,0,0,0|1,0,0]=3 8908 B12R1.267 C=CCNCc1ccccc1Cl 270004a_100020586998_100000210073 [0,2,0,0,0,0|1,0,0]=3 8909 B12R1.267 C=CCNCc1ccccc1Cl 34a_100000174879_100015514636 [0,2,0,0,0,0|1,0,0]=3 8910 B12R1.267 C=CCNCc1ccccc1F 2230a_100020586998_100000211605 [0,2,0,0,0,0|1,0,0]=3 8911 B12R1.267 C=CCNCc1ccccc1F 270004a_100020586998_100000210811 [0,2,0,0,0,0|1,0,0]=3 8912 B12R1.267 C=CCNCc1ccccc1F 34a_100000174869_100015514636 [0,2,0,0,0,0|1,0,0]=3 8913 B12R1.267 C=CCNCc1ccccc1I 2230a_100020586998_100011215278 [0,2,0,0,0,0|1,0,0]=3 8914 B12R1.267 C=CCNCc1ccccc1I 270004a_100020586998_100000010305 [0,2,0,0,0,0|1,0,0]=3 8915 B12R1.267 C=CCNCc1ccccc1O 34a_100000185550_100015514636 [0,2,0,0,0,0|1,0,0]=3 8916 B12R1.267 C=CCNCc1cccnc1Br 2230a_100009818023_100000210623 [0,2,0,0,0,0|2,0,0]=4 8917 B12R1.267 C=CCNCc1cccnc1Br 2230a_100020586998_100010140945 [0,2,0,0,0,0|2,0,0]=4 8918 B12R1.267 C=CCNCc1cccnc1Br 34a_100009818023_100015514636 [0,2,0,0,0,0|2,0,0]=4 8919 B12R1.267 C=CCNCc1cccnc1C 2230a_100020586998_100000732876 [0,2,0,0,0,0|2,0,0]=4 8920 B12R1.267 C=CCNCc1cccnc1C 270004a_100020586998_100000751968 [0,2,0,0,0,0|2,0,0]=4 8921 B12R1.267 C=CCNCc1cccnc1Cl 2230a_100015189234_100000210623 [0,2,0,0,0,0|2,0,0]=4 8922 B12R1.267 C=CCNCc1cccnc1Cl 2230a_100020586998_100000045678 [0,2,0,0,0,0|2,0,0]=4 8923 B12R1.267 C=CCNCc1cccnc1Cl 34a_100015189234_100015514636 [0,2,0,0,0,0|2,0,0]=4 8924 B12R1.267 C=CCNCc1cccnc1F 2230a_100020586998_100000099810 [0,2,0,0,0,0|2,0,0]=4 8925 B12R1.267 C=CCNCc1cccnc1F 34a_100000724633_100015514636 [0,2,0,0,0,0|2,0,0]=4 8926 B12R1.267 C=CCNCc1cccnc1O 270004a_100020586998_100011998315 [0,2,0,0,0,0|2,0,0]=4 8927 B12R1.267 C=CCNCc1ccncc1Br 270004a_100020586998_100000755692 [0,2,0,0,0,0|2,0,0]=4 8928 B12R1.267 C=CCNCc1ccncc1C 2230a_100020586998_100020672808 [0,2,0,0,0,0|2,0,0]=4 8929 B12R1.267 C=CCNCc1ccncc1Cl 2230a_100020586998_100000763264 [0,2,0,0,0,0|2,0,0]=4 8930 B12R1.267 C=CCNCc1ccncc1Cl 270004a_100020586998_100011934409 [0,2,0,0,0,0|2,0,0]=4 8931 B12R1.267 C=CCNCc1ccncc1F 34a_100011935246_100015514636 [0,2,0,0,0,0|2,0,0]=4 8932 B12R1.267 C=CCNCc1cnccc1Br 270004a_100020586998_100009816821 [0,2,0,0,0,0|2,0,0]=4 8933 B12R1.267 C=CCNCc1cnccc1C 2230a_100020586998_100000690890 [0,2,0,0,0,0|2,0,0]=4 8934 B12R1.267 C=CCNCc1cnccc1C 270004a_100020586998_100000685662 [0,2,0,0,0,0|2,0,0]=4 8935 B12R1.267 C=CCNCc1cnccc1Cl 270004a_100020586998_100000050567 [0,2,0,0,0,0|2,0,0]=4 8936 B12R1.267 C=CCNCc1ncccc1Br 2230a_100020586998_100025702911 [0,2,0,0,0,0|2,0,0]=4 8937 B12R1.267 C=CCNCc1ncccc1Br 270004a_100020586998_100011934733 [0,2,0,0,0,0|2,0,0]=4 8938 B12R1.267 C=CCNCc1ncccc1C 2230a_100020586998_100000696600 [0,2,0,0,0,0|2,0,0]=4 8939 B12R1.267 C=CCNCc1ncccc1C 270004a_100020586998_100000698913 [0,2,0,0,0,0|2,0,0]=4 8940 B12R1.267 C=CCNCc1ncccc1C 34a_100011223789_100015514636 [0,2,0,0,0,0|2,0,0]=4 8941 B12R1.267 C=CCNCc1ncccc1Cl 2230a_100015189233_100000210623 [0,2,0,0,0,0|2,0,0]=4 8942 B12R1.267 C=CCNCc1ncccc1Cl 2230a_100020586998_100000099807 [0,2,0,0,0,0|2,0,0]=4 8943 B12R1.267 C=CCNCc1ncccc1Cl 270004a_100020586998_100012001307 [0,2,0,0,0,0|2,0,0]=4 8944 B12R1.267 C=CCNCc1ncccc1F 2230a_100020586998_100000104219 [0,2,0,0,0,0|2,0,0]=4 8945 B12R1.267 C=CCNCc1ncccc1F 270004a_100020586998_100011934734 [0,2,0,0,0,0|2,0,0]=4 8946 B12R1.267 C=CCNCc1ncccc1F 34a_100000690088_100015514636 [0,2,0,0,0,0|2,0,0]=4 8947 B12R1.267 C=CCOCc1ccccc1Br 34a_100000756307_100015514636 [0,2,0,0,0,0|0,0,0]=2 8948 B12R1.267 C=CCOCc1ccccc1Br 34a_200000210373_100000184730 [0,2,0,0,0,0|0,0,0]=2 8949 B12R1.267 C=CCOCc1ccccc1Br 7a_100000756307_100015514636 [0,2,0,0,0,0|0,0,0]=2 8950 B12R1.267 C=CCOCc1ccccc1C 34a_100000698903_100015514636 [0,2,0,0,0,0|0,0,0]=2 8951 B12R1.267 C=CCOCc1ccccc1C 34a_200000210373_100000211839 [0,2,0,0,0,0|0,0,0]=2 8952 B12R1.267 C=CCOCc1ccccc1C 7a_100000698903_100015514636 [0,2,0,0,0,0|0,0,0]=2 8953 B12R1.267 C=CCOCc1ccccc1Cl 34a_100000210847_100015514636 [0,2,0,0,0,0|0,0,0]=2 8954 B12R1.267 C=CCOCc1ccccc1Cl 34a_200000210373_100000187162 [0,2,0,0,0,0|0,0,0]=2 8955 B12R1.267 C=CCOCc1ccccc1Cl 7a_100000210847_100015514636 [0,2,0,0,0,0|0,0,0]=2 8956 B12R1.267 C=CCOCc1ccccc1F 34a_100000211962_100015514636 [0,2,0,0,0,0|0,0,0]=2 8957 B12R1.267 C=CCOCc1ccccc1F 34a_200000210373_100000211605 [0,2,0,0,0,0|0,0,0]=2 8958 B12R1.267 C=CCOCc1ccccc1F 7a_100000211962_100015514636 [0,2,0,0,0,0|0,0,0]=2 8959 B12R1.267 C=CCOCc1ccccc1I 34a_100000187465_100015514636 [0,2,0,0,0,0|0,0,0]=2 8960 B12R1.267 C=CCOCc1ccccc1I 34a_200000210373_100011215278 [0,2,0,0,0,0|0,0,0]=2 8961 B12R1.267 C=CCOCc1ccccc1I 7a_100000187465_100015514636 [0,2,0,0,0,0|0,0,0]=2 8962 B12R1.267 C=CCOCc1ccccc1N 34a_100000212039_100015514636 [0,2,0,0,0,0|0,0,0]=2 8963 B12R1.267 C=CCOCc1cccnc1Br 34a_100000719692_100015514636 [0,2,0,0,0,0|1,0,0]=3 8964 B12R1.267 C=CCOCc1cccnc1Br 34a_200000210373_100010140945 [0,2,0,0,0,0|1,0,0]=3 8965 B12R1.267 C=CCOCc1cccnc1Br 7a_100000719692_100015514636 [0,2,0,0,0,0|1,0,0]=3 8966 B12R1.267 C=CCOCc1cccnc1C 34a_100000729262_100015514636 [0,2,0,0,0,0|1,0,0]=3 8967 B12R1.267 C=CCOCc1cccnc1C 34a_200000210373_100000732876 [0,2,0,0,0,0|1,0,0]=3 8968 B12R1.267 C=CCOCc1cccnc1C 7a_100000729262_100015514636 [0,2,0,0,0,0|1,0,0]=3 8969 B12R1.267 C=CCOCc1cccnc1Cl 34a_100000748726_100015514636 [0,2,0,0,0,0|1,0,0]=3 8970 B12R1.267 C=CCOCc1cccnc1Cl 34a_200000210373_100000045678 [0,2,0,0,0,0|1,0,0]=3 8971 B12R1.267 C=CCOCc1cccnc1Cl 7a_100000748726_100015514636 [0,2,0,0,0,0|1,0,0]=3 8972 B12R1.267 C=CCOCc1cccnc1F 34a_100000079888_100015514636 [0,2,0,0,0,0|1,0,0]=3 8973 B12R1.267 C=CCOCc1cccnc1F 34a_200000210373_100000099810 [0,2,0,0,0,0|1,0,0]=3 8974 B12R1.267 C=CCOCc1cccnc1F 7a_100000079888_100015514636 [0,2,0,0,0,0|1,0,0]=3 8975 B12R1.267 C=CCOCc1ccncc1C 34a_100011997032_100015514636 [0,2,0,0,0,0|1,0,0]=3 8976 B12R1.267 C=CCOCc1ccncc1C 34a_200000210373_100020672809 [0,2,0,0,0,0|1,0,0]=3 8977 B12R1.267 C=CCOCc1ccncc1F 34a_100012172863_100015514636 [0,2,0,0,0,0|1,0,0]=3 8978 B12R1.267 C=CCOCc1cnccc1C 34a_100011996381_100015514636 [0,2,0,0,0,0|1,0,0]=3 8979 B12R1.267 C=CCOCc1cnccc1C 34a_200000210373_100000690890 [0,2,0,0,0,0|1,0,0]=3 8980 B12R1.267 C=CCOCc1cnccc1Cl 34a_100000117392_100015514636 [0,2,0,0,0,0|1,0,0]=3 8981 B12R1.267 C=CCOCc1ncccc1Br 34a_100011996772_100015514636 [0,2,0,0,0,0|1,0,0]=3 8982 B12R1.267 C=CCOCc1ncccc1Br 34a_200000210373_100025702911 [0,2,0,0,0,0|1,0,0]=3 8983 B12R1.267 C=CCOCc1ncccc1C 34a_100000698912_100015514636 [0,2,0,0,0,0|1,0,0]=3 8984 B12R1.267 C=CCOCc1ncccc1C 34a_200000210373_100000696600 [0,2,0,0,0,0|1,0,0]=3 8985 B12R1.267 C=CCOCc1ncccc1Cl 34a_100012002383_100015514636 [0,2,0,0,0,0|1,0,0]=3 8986 B12R1.267 C=CCOCc1ncccc1F 34a_100011934865_100015514636 [0,2,0,0,0,0|1,0,0]=3 8987 B12R1.267 C=CCOCc1ncccc1F 34a_200000210373_100000104219 [0,2,0,0,0,0|1,0,0]=3 8988 B12R1.267 C=CCOCc1ncccc1N 34a_114873767017_100015514636 [0,2,0,0,0,0|1,0,0]=3 8989 B12R1.267 C=CCOCc1ncccc1O 34a_200000210373_200020655725 [0,2,0,0,0,0|1,0,0]=3 8990 B12R1.267 C=CCOCc1nccnc1Cl 34a_100000057004_100015514636 [0,2,0,0,0,0|2,0,0]=4 8991 B12R1.267 C=CCSCc1ccccc1Br 62a_100000184730_100000210623 [0,2,0,0,0,0|0,1,0]=3 8992 B12R1.267 C=CCSCc1ccccc1Br 62a_100000210623_100000184730 [0,2,0,0,0,0|0,1,0]=3 8993 B12R1.267 C=CCSCc1ccccc1C 62a_100000210623_100000211839 [0,2,0,0,0,0|0,1,0]=3 8994 B12R1.267 C=CCSCc1ccccc1C 62a_100000211839_100000210623 [0,2,0,0,0,0|0,1,0]=3 8995 B12R1.267 C=CCSCc1ccccc1Cl 62a_100000187162_100000210623 [0,2,0,0,0,0|0,1,0]=3 8996 B12R1.267 C=CCSCc1ccccc1Cl 62a_100000210623_100000187162 [0,2,0,0,0,0|0,1,0]=3 8997 B12R1.267 C=CCSCc1ccccc1F 62a_100000210623_100000211605 [0,2,0,0,0,0|0,1,0]=3 8998 B12R1.267 C=CCSCc1ccccc1F 62a_100000211605_100000210623 [0,2,0,0,0,0|0,1,0]=3 8999 B12R1.267 C=CCSCc1ccccc1I 62a_100000210623_100011216222 [0,2,0,0,0,0|0,1,0]=3 9000 B12R1.267 C=CCSCc1ccccc1I 62a_100011216222_100000210623 [0,2,0,0,0,0|0,1,0]=3 9001 B12R1.267 C=CCSCc1cccnc1Br 62a_100000210623_100010140945 [0,2,0,0,0,0|1,1,0]=4 9002 B12R1.267 C=CCSCc1cccnc1Br 62a_100010140945_100000210623 [0,2,0,0,0,0|1,1,0]=4 9003 B12R1.267 C=CCSCc1cccnc1C 62a_100000210623_100000732876 [0,2,0,0,0,0|1,1,0]=4 9004 B12R1.267 C=CCSCc1cccnc1C 62a_100000732876_100000210623 [0,2,0,0,0,0|1,1,0]=4 9005 B12R1.267 C=CCSCc1cccnc1Cl 62a_100000045678_100000210623 [0,2,0,0,0,0|1,1,0]=4 9006 B12R1.267 C=CCSCc1cccnc1Cl 62a_100000210623_100000045678 [0,2,0,0,0,0|1,1,0]=4 9007 B12R1.267 C=CCSCc1cccnc1F 62a_100000099810_100000210623 [0,2,0,0,0,0|1,1,0]=4 9008 B12R1.267 C=CCSCc1cccnc1F 62a_100000210623_100000099810 [0,2,0,0,0,0|1,1,0]=4 9009 B12R1.267 C=CCSCc1ccncc1C 62a_100000210623_100020672808 [0,2,0,0,0,0|1,1,0]=4 9010 B12R1.267 C=CCSCc1ccncc1C 62a_100020672808_100000210623 [0,2,0,0,0,0|1,1,0]=4 9011 B12R1.267 C=CCSCc1ccncc1Cl 62a_100000210623_100000763264 [0,2,0,0,0,0|1,1,0]=4 9012 B12R1.267 C=CCSCc1ccncc1Cl 62a_100000763264_100000210623 [0,2,0,0,0,0|1,1,0]=4 9013 B12R1.267 C=CCSCc1cnccc1C 62a_100000210623_100000690890 [0,2,0,0,0,0|1,1,0]=4 9014 B12R1.267 C=CCSCc1cnccc1C 62a_100000690890_100000210623 [0,2,0,0,0,0|1,1,0]=4 9015 B12R1.267 C=CCSCc1ncccc1Br 62a_100000210623_100025702911 [0,2,0,0,0,0|1,1,0]=4 9016 B12R1.267 C=CCSCc1ncccc1Br 62a_100025702911_100000210623 [0,2,0,0,0,0|1,1,0]=4 9017 B12R1.267 C=CCSCc1ncccc1C 62a_100000210623_100000696600 [0,2,0,0,0,0|1,1,0]=4 9018 B12R1.267 C=CCSCc1ncccc1C 62a_100000696600_100000210623 [0,2,0,0,0,0|1,1,0]=4 9019 B12R1.267 C=CCSCc1ncccc1Cl 62a_100000099807_100000210623 [0,2,0,0,0,0|1,1,0]=4 9020 B12R1.267 C=CCSCc1ncccc1Cl 62a_100000210623_100000099807 [0,2,0,0,0,0|1,1,0]=4 9021 B12R1.267 C=CCSCc1ncccc1F 62a_100000104219_100000210623 [0,2,0,0,0,0|1,1,0]=4 9022 B12R1.267 C=CCSCc1ncccc1F 62a_100000210623_100000104219 [0,2,0,0,0,0|1,1,0]=4 9023 B12R1.267 C=CCSCc1ncccc1O 62a_100000210623_200020655725 [0,2,0,0,0,0|1,1,0]=4 9024 B12R1.267 C=CCSCc1ncccc1O 62a_200020655725_100000210623 [0,2,0,0,0,0|1,1,0]=4 9025 B12R1.267 CC#CCOc1ccccc1Br 34a_100000181306_100000748600 [0,2,0,0,0,0|0,0,2]=4 9026 B12R1.267 CC#CCOc1ccccc1Br 7a_100000181306_100000748600 [0,2,0,0,0,0|0,0,2]=4 9027 B12R1.267 CC#CCOc1ccccc1C 34a_100000210338_100000748600 [0,2,0,0,0,0|0,0,2]=4 9028 B12R1.267 CC#CCOc1ccccc1C 7a_100000210338_100000748600 [0,2,0,0,0,0|0,0,2]=4 9029 B12R1.267 CC#CCOc1ccccc1Cl 34a_100000210172_100000748600 [0,2,0,0,0,0|0,0,2]=4 9030 B12R1.267 CC#CCOc1ccccc1Cl 7a_100000210172_100000748600 [0,2,0,0,0,0|0,0,2]=4 9031 B12R1.267 CC#CCOc1ccccc1F 34a_100000210171_100000748600 [0,2,0,0,0,0|0,0,2]=4 9032 B12R1.267 CC#CCOc1ccccc1F 7a_100000210171_100000748600 [0,2,0,0,0,0|0,0,2]=4 9033 B12R1.267 CC#CCOc1ccccc1I 34a_100000739446_100000748600 [0,2,0,0,0,0|0,0,2]=4 9034 B12R1.267 CC#CCOc1ccccc1I 7a_100000739446_100000748600 [0,2,0,0,0,0|0,0,2]=4 9035 B12R1.267 CC#CCOc1ccccc1N 34a_100000185747_100000748600 [0,2,0,0,0,0|0,0,2]=4 9036 B12R1.267 CC#CCOc1ccccc1N 7a_100000185747_100000748600 [0,2,0,0,0,0|0,0,2]=4 9037 B12R1.267 CC=CCNc1ccccc1Br 34a_100000210017_100000070051 [0,2,0,0,0,0|1,0,0]=3 9038 B12R1.267 CC=CCNc1ccccc1C 34a_100015192222_100000070051 [0,2,0,0,0,0|1,0,0]=3 9039 B12R1.267 CC=CCNc1ccccc1Cl 34a_100000185783_100000070051 [0,2,0,0,0,0|1,0,0]=3 9040 B12R1.267 CC=CCNc1ccccc1F 34a_100000210422_100000070051 [0,2,0,0,0,0|1,0,0]=3 9041 B12R1.267 CC=CCNc1ccccc1I 34a_100000210053_100000070051 [0,2,0,0,0,0|1,0,0]=3 9042 B12R1.267 CC=CCNc1ccccc1O 34a_100000185747_100000070051 [0,2,0,0,0,0|1,0,0]=3 9043 B12R1.267 CC=CCOc1cccc[n+]1[O-] 7a_100000211761_100000070051 [0,2,0,0,0,0|1,0,0]=3 9044 B12R1.267 CC=CCOc1ccccc1Br 34a_100000181306_100000070051 [0,2,0,0,0,0|0,0,0]=2 9045 B12R1.267 CC=CCOc1ccccc1Br 7a_100000181306_100000070051 [0,2,0,0,0,0|0,0,0]=2 9046 B12R1.267 CC=CCOc1ccccc1C 34a_100000210338_100000070051 [0,2,0,0,0,0|0,0,0]=2 9047 B12R1.267 CC=CCOc1ccccc1C 7a_100000210338_100000070051 [0,2,0,0,0,0|0,0,0]=2 9048 B12R1.267 CC=CCOc1ccccc1Cl 34a_100000210172_100000070051 [0,2,0,0,0,0|0,0,0]=2 9049 B12R1.267 CC=CCOc1ccccc1Cl 7a_100000210172_100000070051 [0,2,0,0,0,0|0,0,0]=2 9050 B12R1.267 CC=CCOc1ccccc1F 34a_100000210171_100000070051 [0,2,0,0,0,0|0,0,0]=2 9051 B12R1.267 CC=CCOc1ccccc1F 7a_100000210171_100000070051 [0,2,0,0,0,0|0,0,0]=2 9052 B12R1.267 CC=CCOc1ccccc1I 34a_100000739446_100000070051 [0,2,0,0,0,0|0,0,0]=2 9053 B12R1.267 CC=CCOc1ccccc1I 7a_100000739446_100000070051 [0,2,0,0,0,0|0,0,0]=2 9054 B12R1.267 CC=CCOc1ccccc1N 34a_100000185747_100000070051 [0,2,0,0,0,0|0,0,0]=2 9055 B12R1.267 CC=CCOc1ccccc1N 7a_100000185747_100000070051 [0,2,0,0,0,0|0,0,0]=2 9056 B12R1.267 CC=CCOc1cccnc1Br 34a_100000744436_100000070051 [0,2,0,0,0,0|1,0,0]=3 9057 B12R1.267 CC=CCOc1cccnc1Br 7a_100000744436_100000070051 [0,2,0,0,0,0|1,0,0]=3 9058 B12R1.267 CC=CCOc1cccnc1C 34a_100000745507_100000070051 [0,2,0,0,0,0|1,0,0]=3 9059 B12R1.267 CC=CCOc1cccnc1C 7a_100000745507_100000070051 [0,2,0,0,0,0|1,0,0]=3 9060 B12R1.267 CC=CCOc1cccnc1Cl 34a_100000757616_100000070051 [0,2,0,0,0,0|1,0,0]=3 9061 B12R1.267 CC=CCOc1cccnc1Cl 7a_100000757616_100000070051 [0,2,0,0,0,0|1,0,0]=3 9062 B12R1.267 CC=CCOc1cccnc1F 34a_100000061740_100000070051 [0,2,0,0,0,0|1,0,0]=3 9063 B12R1.267 CC=CCOc1cccnc1F 7a_100000061740_100000070051 [0,2,0,0,0,0|1,0,0]=3 9064 B12R1.267 CC=CCOc1cccnc1I 34a_100000034122_100000070051 [0,2,0,0,0,0|1,0,0]=3 9065 B12R1.267 CC=CCOc1cccnc1I 7a_100000034122_100000070051 [0,2,0,0,0,0|1,0,0]=3 9066 B12R1.267 CC=CCOc1cccnc1N 34a_100000211975_100000070051 [0,2,0,0,0,0|1,0,0]=3 9067 B12R1.267 CC=CCOc1cccnc1N 7a_100000211975_100000070051 [0,2,0,0,0,0|1,0,0]=3 9068 B12R1.267 CC=CCOc1cccoc1=O 34a_100000077404_100000070051 [0,2,0,0,0,0|1,0,0]=3 9069 B12R1.267 CC=CCOc1cccoc1=O 7a_100000077404_100000070051 [0,2,0,0,0,0|1,0,0]=3 9070 B12R1.267 CC=CCOc1ccncc1Br 34a_100011996408_100000070051 [0,2,0,0,0,0|1,0,0]=3 9071 B12R1.267 CC=CCOc1ccncc1C 34a_100000694293_100000070051 [0,2,0,0,0,0|1,0,0]=3 9072 B12R1.267 CC=CCOc1ccncc1Cl 34a_100011997054_100000070051 [0,2,0,0,0,0|1,0,0]=3 9073 B12R1.267 CC=CCOc1ccncc1F 34a_200000081243_100000070051 [0,2,0,0,0,0|1,0,0]=3 9074 B12R1.267 CC=CCOc1cnccc1C 34a_100011997053_100000070051 [0,2,0,0,0,0|1,0,0]=3 9075 B12R1.267 CC=CCOc1cnccc1C 7a_100011997053_100000070051 [0,2,0,0,0,0|1,0,0]=3 9076 B12R1.267 CC=CCOc1cnccc1Cl 34a_100011996695_100000070051 [0,2,0,0,0,0|1,0,0]=3 9077 B12R1.267 CC=CCOc1cnccc1I 34a_100000050107_100000070051 [0,2,0,0,0,0|1,0,0]=3 9078 B12R1.267 CC=CCOc1cnccc1N 34a_100000753702_100000070051 [0,2,0,0,0,0|1,0,0]=3 9079 B12R1.267 CC=CCOc1cncnc1N 7a_100000112926_100000070051 [0,2,0,0,0,0|2,0,0]=4 9080 B12R1.267 CC=CCOc1coccc1=O 34a_100000060831_100000070051 [0,2,0,0,0,0|1,0,0]=3 9081 B12R1.267 CC=CCOc1ncccc1Cl 34a_100011290957_100000070051 [0,2,0,0,0,0|1,0,0]=3 9082 B12R1.267 CC=CCOc1ncccc1F 34a_100011219419_100000070051 [0,2,0,0,0,0|1,0,0]=3 9083 B12R1.267 CC=CCOc1ncccc1N 34a_100000746358_100000070051 [0,2,0,0,0,0|1,0,0]=3 9084 B12R1.267 CC=CCOc1nccnc1C 34a_100000766352_100000070051 [0,2,0,0,0,0|2,0,0]=4 9085 B12R1.267 CC=CCSc1c[nH]ccc1=O 62a_100000070051_100009998708 [0,2,0,0,0,0|1,1,0]=4 9086 B12R1.267 CC=CCSc1c[nH]ccc1=O 62a_100009998708_100000070051 [0,2,0,0,0,0|1,1,0]=4 9087 B12R1.267 CC=CCSc1c[nH]ccc1=S 62a_100000070051_200012280681 [0,2,0,0,0,0|1,1,0]=4 9088 B12R1.267 CC=CCSc1c[nH]ccc1=S 62a_200012280681_100000070051 [0,2,0,0,0,0|1,1,0]=4 9089 B12R1.267 CC=CCSc1cccc[n+]1C 62a_100000070051_100000212160 [0,2,0,0,0,0|1,1,0]=4 9090 B12R1.267 CC=CCSc1cccc[n+]1[O-] 62a_100000070051_200000042595 [0,2,0,0,0,0|1,1,0]=4 9091 B12R1.267 CC=CCSc1ccccc1Br 62a_100000070051_100000695589 [0,2,0,0,0,0|0,1,0]=3 9092 B12R1.267 CC=CCSc1ccccc1Br 62a_100000695589_100000070051 [0,2,0,0,0,0|0,1,0]=3 9093 B12R1.267 CC=CCSc1ccccc1C 62a_100000070051_100000210755 [0,2,0,0,0,0|0,1,0]=3 9094 B12R1.267 CC=CCSc1ccccc1C 62a_100000210755_100000070051 [0,2,0,0,0,0|0,1,0]=3 9095 B12R1.267 CC=CCSc1ccccc1Cl 62a_100000070051_100000764095 [0,2,0,0,0,0|0,1,0]=3 9096 B12R1.267 CC=CCSc1ccccc1Cl 62a_100000764095_100000070051 [0,2,0,0,0,0|0,1,0]=3 9097 B12R1.267 CC=CCSc1ccccc1F 62a_100000070051_100011215700 [0,2,0,0,0,0|0,1,0]=3 9098 B12R1.267 CC=CCSc1ccccc1F 62a_100011215700_100000070051 [0,2,0,0,0,0|0,1,0]=3 9099 B12R1.267 CC=CCSc1ccccc1N 62a_100000070051_100000210017 [0,2,0,0,0,0|0,1,0]=3 9100 B12R1.267 CC=CCSc1ccccc1N 62a_100000210017_100000070051 [0,2,0,0,0,0|0,1,0]=3 9101 B12R1.267 CC=CCSc1ccccc1O 62a_100000070051_100000739446 [0,2,0,0,0,0|0,1,0]=3 9102 B12R1.267 CC=CCSc1ccccc1O 62a_100000739446_100000070051 [0,2,0,0,0,0|0,1,0]=3 9103 B12R1.267 CC=CCSc1cccnc1Br 62a_100000070051_100010202626 [0,2,0,0,0,0|1,1,0]=4 9104 B12R1.267 CC=CCSc1cccnc1Br 62a_100010202626_100000070051 [0,2,0,0,0,0|1,1,0]=4 9105 B12R1.267 CC=CCSc1cccnc1C 62a_100000070051_100000751574 [0,2,0,0,0,0|1,1,0]=4 9106 B12R1.267 CC=CCSc1cccnc1C 62a_100000751574_100000070051 [0,2,0,0,0,0|1,1,0]=4 9107 B12R1.267 CC=CCSc1cccnc1Cl 62a_100000036424_100000070051 [0,2,0,0,0,0|1,1,0]=4 9108 B12R1.267 CC=CCSc1cccnc1Cl 62a_100000070051_100000036424 [0,2,0,0,0,0|1,1,0]=4 9109 B12R1.267 CC=CCSc1cccnc1F 62a_100000070051_100009816115 [0,2,0,0,0,0|1,1,0]=4 9110 B12R1.267 CC=CCSc1cccnc1F 62a_100009816115_100000070051 [0,2,0,0,0,0|1,1,0]=4 9111 B12R1.267 CC=CCSc1cccnc1N 62a_100000045569_100000070051 [0,2,0,0,0,0|1,1,0]=4 9112 B12R1.267 CC=CCSc1cccnc1N 62a_100000070051_100000045569 [0,2,0,0,0,0|1,1,0]=4 9113 B12R1.267 CC=CCSc1cccnc1O 62a_100000070051_100000760158 [0,2,0,0,0,0|1,1,0]=4 9114 B12R1.267 CC=CCSc1cccnc1O 62a_100000760158_100000070051 [0,2,0,0,0,0|1,1,0]=4 9115 B12R1.267 CC=CCSc1ccncc1Br 62a_100000070051_100000726257 [0,2,0,0,0,0|1,1,0]=4 9116 B12R1.267 CC=CCSc1ccncc1Br 62a_100000726257_100000070051 [0,2,0,0,0,0|1,1,0]=4 9117 B12R1.267 CC=CCSc1ccncc1C 62a_100000070051_100000765111 [0,2,0,0,0,0|1,1,0]=4 9118 B12R1.267 CC=CCSc1ccncc1C 62a_100000765111_100000070051 [0,2,0,0,0,0|1,1,0]=4 9119 B12R1.267 CC=CCSc1ccncc1Cl 62a_100000070051_100000708259 [0,2,0,0,0,0|1,1,0]=4 9120 B12R1.267 CC=CCSc1ccncc1Cl 62a_100000708259_100000070051 [0,2,0,0,0,0|1,1,0]=4 9121 B12R1.267 CC=CCSc1ccncc1F 62a_100000047030_100000070051 [0,2,0,0,0,0|1,1,0]=4 9122 B12R1.267 CC=CCSc1ccncc1F 62a_100000070051_100000047030 [0,2,0,0,0,0|1,1,0]=4 9123 B12R1.267 CC=CCSc1ccncc1N 62a_100000070051_100000756074 [0,2,0,0,0,0|1,1,0]=4 9124 B12R1.267 CC=CCSc1ccncc1N 62a_100000756074_100000070051 [0,2,0,0,0,0|1,1,0]=4 9125 B12R1.267 CC=CCSc1ccncc1O 62a_100000070051_100009817591 [0,2,0,0,0,0|1,1,0]=4 9126 B12R1.267 CC=CCSc1ccncc1O 62a_100009817591_100000070051 [0,2,0,0,0,0|1,1,0]=4 9127 B12R1.267 CC=CCSc1cnccc1Br 62a_100000070051_100010138639 [0,2,0,0,0,0|1,1,0]=4 9128 B12R1.267 CC=CCSc1cnccc1Br 62a_100010138639_100000070051 [0,2,0,0,0,0|1,1,0]=4 9129 B12R1.267 CC=CCSc1cnccc1C 62a_100000070051_100000761580 [0,2,0,0,0,0|1,1,0]=4 9130 B12R1.267 CC=CCSc1cnccc1C 62a_100000761580_100000070051 [0,2,0,0,0,0|1,1,0]=4 9131 B12R1.267 CC=CCSc1cnccc1Cl 62a_100000070051_100009995489 [0,2,0,0,0,0|1,1,0]=4 9132 B12R1.267 CC=CCSc1cnccc1Cl 62a_100009995489_100000070051 [0,2,0,0,0,0|1,1,0]=4 9133 B12R1.267 CC=CCSc1cnccc1F 62a_100000070051_100009820683 [0,2,0,0,0,0|1,1,0]=4 9134 B12R1.267 CC=CCSc1cnccc1F 62a_100009820683_100000070051 [0,2,0,0,0,0|1,1,0]=4 9135 B12R1.267 CC=CCSc1cnccc1N 62a_100000047001_100000070051 [0,2,0,0,0,0|1,1,0]=4 9136 B12R1.267 CC=CCSc1cnccc1N 62a_100000070051_100000047001 [0,2,0,0,0,0|1,1,0]=4 9137 B12R1.267 CC=CCSc1ncccc1Br 62a_100000070051_100000696092 [0,2,0,0,0,0|1,1,0]=4 9138 B12R1.267 CC=CCSc1ncccc1Br 62a_100000696092_100000070051 [0,2,0,0,0,0|1,1,0]=4 9139 B12R1.267 CC=CCSc1ncccc1C 62a_100000070051_100000751373 [0,2,0,0,0,0|1,1,0]=4 9140 B12R1.267 CC=CCSc1ncccc1C 62a_100000751373_100000070051 [0,2,0,0,0,0|1,1,0]=4 9141 B12R1.267 CC=CCSc1ncccc1Cl 62a_100000070051_100011356963 [0,2,0,0,0,0|1,1,0]=4 9142 B12R1.267 CC=CCSc1ncccc1Cl 62a_100011356963_100000070051 [0,2,0,0,0,0|1,1,0]=4 9143 B12R1.267 CC=CCSc1ncccc1F 62a_100000070051_100000685392 [0,2,0,0,0,0|1,1,0]=4 9144 B12R1.267 CC=CCSc1ncccc1F 62a_100000685392_100000070051 [0,2,0,0,0,0|1,1,0]=4 9145 B12R1.267 CC=CCSc1ncccc1N 62a_100000070051_100000688686 [0,2,0,0,0,0|1,1,0]=4 9146 B12R1.267 CC=CCSc1ncccc1N 62a_100000688686_100000070051 [0,2,0,0,0,0|1,1,0]=4 9147 B12R1.267 CC=CCSc1ncccc1O 62a_100000034122_100000070051 [0,2,0,0,0,0|1,1,0]=4 9148 B12R1.267 CC=CCSc1ncccc1O 62a_100000070051_100000034122 [0,2,0,0,0,0|1,1,0]=4 9149 B12R1.267 CCCCOc1ccccc1Br 34a_100000181306_100000210210 [0,2,0,0,0,0|0,0,2]=4 9150 B12R1.267 CCCCOc1ccccc1Br 7a_100000181306_100000210211 [0,2,0,0,0,0|0,0,2]=4 9151 B12R1.267 CCCCOc1ccccc1C 34a_100000210338_100000210210 [0,2,0,0,0,0|0,0,2]=4 9152 B12R1.267 CCCCOc1ccccc1C 7a_100000210338_100000210211 [0,2,0,0,0,0|0,0,2]=4 9153 B12R1.267 CCCCOc1ccccc1Cl 34a_100000210172_100000210210 [0,2,0,0,0,0|0,0,2]=4 9154 B12R1.267 CCCCOc1ccccc1Cl 7a_100000210172_100000210211 [0,2,0,0,0,0|0,0,2]=4 9155 B12R1.267 CCCCOc1ccccc1F 34a_100000210171_100000210210 [0,2,0,0,0,0|0,0,2]=4 9156 B12R1.267 CCCCOc1ccccc1F 7a_100000210171_100000210211 [0,2,0,0,0,0|0,0,2]=4 9157 B12R1.267 CCCCOc1ccccc1I 34a_100000739446_100000210210 [0,2,0,0,0,0|0,0,2]=4 9158 B12R1.267 CCCCOc1ccccc1I 7a_100000739446_100000210211 [0,2,0,0,0,0|0,0,2]=4 9159 B12R1.267 CCCCOc1ccccc1N 34a_100000185747_100000210210 [0,2,0,0,0,0|0,0,2]=4 9160 B12R1.267 CCCCOc1ccccc1N 7a_100000185747_100000210211 [0,2,0,0,0,0|0,0,2]=4 9161 B12R1.267 CCCCOc1ccccc1O 271570a_203496583355_100000230755 [0,2,0,0,0,0|0,0,2]=4 9162 B12R1.267 CCCOCc1ccccc1Br 34a_100000210258_100000184730 [0,2,0,0,0,0|0,0,2]=4 9163 B12R1.267 CCCOCc1ccccc1Br 34a_100000756307_100000210303 [0,2,0,0,0,0|0,0,2]=4 9164 B12R1.267 CCCOCc1ccccc1Br 7a_100000756307_100000210303 [0,2,0,0,0,0|0,0,2]=4 9165 B12R1.267 CCCOCc1ccccc1C 34a_100000210258_100000211839 [0,2,0,0,0,0|0,0,2]=4 9166 B12R1.267 CCCOCc1ccccc1C 34a_100000698903_100000210303 [0,2,0,0,0,0|0,0,2]=4 9167 B12R1.267 CCCOCc1ccccc1C 7a_100000698903_100000210303 [0,2,0,0,0,0|0,0,2]=4 9168 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210258_100000187162 [0,2,0,0,0,0|0,0,2]=4 9169 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210847_100000210303 [0,2,0,0,0,0|0,0,2]=4 9170 B12R1.267 CCCOCc1ccccc1Cl 7a_100000210847_100000210303 [0,2,0,0,0,0|0,0,2]=4 9171 B12R1.267 CCCOCc1ccccc1F 34a_100000210258_100000211605 [0,2,0,0,0,0|0,0,2]=4 9172 B12R1.267 CCCOCc1ccccc1F 34a_100000211962_100000210303 [0,2,0,0,0,0|0,0,2]=4 9173 B12R1.267 CCCOCc1ccccc1F 7a_100000211962_100000210303 [0,2,0,0,0,0|0,0,2]=4 9174 B12R1.267 CCCOCc1ccccc1I 34a_100000187465_100000210303 [0,2,0,0,0,0|0,0,2]=4 9175 B12R1.267 CCCOCc1ccccc1I 34a_100000210258_100011215278 [0,2,0,0,0,0|0,0,2]=4 9176 B12R1.267 CCCOCc1ccccc1I 7a_100000187465_100000210303 [0,2,0,0,0,0|0,0,2]=4 9177 B12R1.267 CCCOCc1ccccc1N 34a_100000212039_100000210303 [0,2,0,0,0,0|0,0,2]=4 9178 B12R1.267 CNCCOc1ccccc1Br 2230a_100000744007_200000210301 [0,2,0,0,0,0|0,0,2]=4 9179 B12R1.267 CNCCOc1ccccc1Br 2230a_106832991635_100000695877 [0,2,0,0,0,0|0,0,2]=4 9180 B12R1.267 CNCCOc1ccccc1Br 34a_100000744007_200000210301 [0,2,0,0,0,0|0,0,2]=4 9181 B12R1.267 CNCCOc1ccccc1Br 34a_100102657272_100000695877 [0,2,0,0,0,0|0,0,2]=4 9182 B12R1.267 CNCCOc1ccccc1Br 7a_106832991635_100000695877 [0,2,0,0,0,0|0,0,2]=4 9183 B12R1.267 CNCCOc1ccccc1C 2230a_100000743344_200000210301 [0,2,0,0,0,0|0,0,2]=4 9184 B12R1.267 CNCCOc1ccccc1C 2230a_106832991635_100000184434 [0,2,0,0,0,0|0,0,2]=4 9185 B12R1.267 CNCCOc1ccccc1C 34a_100000743344_200000210301 [0,2,0,0,0,0|0,0,2]=4 9186 B12R1.267 CNCCOc1ccccc1C 34a_100102657272_100000184434 [0,2,0,0,0,0|0,0,2]=4 9187 B12R1.267 CNCCOc1ccccc1C 7a_106832991635_100000184434 [0,2,0,0,0,0|0,0,2]=4 9188 B12R1.267 CNCCOc1ccccc1Cl 2230a_100000174932_200000210301 [0,2,0,0,0,0|0,0,2]=4 9189 B12R1.267 CNCCOc1ccccc1Cl 34a_100000174932_200000210301 [0,2,0,0,0,0|0,0,2]=4 9190 B12R1.267 CNCCOc1ccccc1F 2230a_100000683764_200000210301 [0,2,0,0,0,0|0,0,2]=4 9191 B12R1.267 CNCCOc1ccccc1F 2230a_106832991635_100000183290 [0,2,0,0,0,0|0,0,2]=4 9192 B12R1.267 CNCCOc1ccccc1F 34a_100000683764_200000210301 [0,2,0,0,0,0|0,0,2]=4 9193 B12R1.267 CNCCOc1ccccc1F 34a_100102657272_100000183290 [0,2,0,0,0,0|0,0,2]=4 9194 B12R1.267 CNCCOc1ccccc1F 7a_106832991635_100000183290 [0,2,0,0,0,0|0,0,2]=4 9195 B12R1.267 COCCOc1ccccc1Br 34a_100000181306_100011201679 [0,2,0,0,0,0|0,0,2]=4 9196 B12R1.267 COCCOc1ccccc1Br 34a_100000230753_200000210301 [0,2,0,0,0,0|0,0,2]=4 9197 B12R1.267 COCCOc1ccccc1Br 34a_100138415774_100000695877 [0,2,0,0,0,0|0,0,2]=4 9198 B12R1.267 COCCOc1ccccc1Br 7a_100000181306_100000233755 [0,2,0,0,0,0|0,0,2]=4 9199 B12R1.267 COCCOc1ccccc1Br 7a_100000230753_200000210301 [0,2,0,0,0,0|0,0,2]=4 9200 B12R1.267 COCCOc1ccccc1C 34a_100000210338_100011201679 [0,2,0,0,0,0|0,0,2]=4 9201 B12R1.267 COCCOc1ccccc1C 34a_100138415774_100000184434 [0,2,0,0,0,0|0,0,2]=4 9202 B12R1.267 COCCOc1ccccc1C 7a_100000210338_100000233755 [0,2,0,0,0,0|0,0,2]=4 9203 B12R1.267 COCCOc1ccccc1Cl 34a_100000210172_100011201679 [0,2,0,0,0,0|0,0,2]=4 9204 B12R1.267 COCCOc1ccccc1Cl 34a_200000230518_200000210301 [0,2,0,0,0,0|0,0,2]=4 9205 B12R1.267 COCCOc1ccccc1Cl 7a_100000210172_100000233755 [0,2,0,0,0,0|0,0,2]=4 9206 B12R1.267 COCCOc1ccccc1Cl 7a_200000230518_200000210301 [0,2,0,0,0,0|0,0,2]=4 9207 B12R1.267 COCCOc1ccccc1F 34a_100000210171_100011201679 [0,2,0,0,0,0|0,0,2]=4 9208 B12R1.267 COCCOc1ccccc1F 34a_100000756447_200000210301 [0,2,0,0,0,0|0,0,2]=4 9209 B12R1.267 COCCOc1ccccc1F 34a_100138415774_100000183290 [0,2,0,0,0,0|0,0,2]=4 9210 B12R1.267 COCCOc1ccccc1F 7a_100000210171_100000233755 [0,2,0,0,0,0|0,0,2]=4 9211 B12R1.267 COCCOc1ccccc1F 7a_100000756447_200000210301 [0,2,0,0,0,0|0,0,2]=4 9212 B12R1.267 COCCOc1ccccc1I 34a_100000739446_100011201679 [0,2,0,0,0,0|0,0,2]=4 9213 B12R1.267 COCCOc1ccccc1I 7a_100000739446_100000233755 [0,2,0,0,0,0|0,0,2]=4 9214 B12R1.267 COCCOc1ccccc1N 34a_100000185747_100011201679 [0,2,0,0,0,0|0,0,2]=4 9215 B12R1.267 COCCOc1ccccc1N 34a_100132302172_200000210301 [0,2,0,0,0,0|0,0,2]=4 9216 B12R1.267 COCCOc1ccccc1N 7a_100000185747_100000233755 [0,2,0,0,0,0|0,0,2]=4 9217 B12R1.267 COCCOc1ccccc1O 271570a_203496583355_100000234100 [0,2,0,0,0,0|0,0,2]=4 9218 B12R1.267 CSCCOc1ccccc1Br 34a_100000181306_100000212216 [0,2,0,0,0,0|0,0,2]=4 9219 B12R1.267 CSCCOc1ccccc1Br 62a_100000695877_200000210301 [0,2,0,0,0,0|0,0,2]=4 9220 B12R1.267 CSCCOc1ccccc1Br 62a_200000210301_100000695877 [0,2,0,0,0,0|0,0,2]=4 9221 B12R1.267 CSCCOc1ccccc1Br 7a_100000181306_100000212216 [0,2,0,0,0,0|0,0,2]=4 9222 B12R1.267 CSCCOc1ccccc1C 34a_100000210338_100000212216 [0,2,0,0,0,0|0,0,2]=4 9223 B12R1.267 CSCCOc1ccccc1C 62a_100000184434_200000210301 [0,2,0,0,0,0|0,0,2]=4 9224 B12R1.267 CSCCOc1ccccc1C 62a_200000210301_100000184434 [0,2,0,0,0,0|0,0,2]=4 9225 B12R1.267 CSCCOc1ccccc1C 7a_100000210338_100000212216 [0,2,0,0,0,0|0,0,2]=4 9226 B12R1.267 CSCCOc1ccccc1Cl 34a_100000210172_100000212216 [0,2,0,0,0,0|0,0,2]=4 9227 B12R1.267 CSCCOc1ccccc1Cl 7a_100000210172_100000212216 [0,2,0,0,0,0|0,0,2]=4 9228 B12R1.267 CSCCOc1ccccc1F 34a_100000210171_100000212216 [0,2,0,0,0,0|0,0,2]=4 9229 B12R1.267 CSCCOc1ccccc1F 62a_100000183290_200000210301 [0,2,0,0,0,0|0,0,2]=4 9230 B12R1.267 CSCCOc1ccccc1F 62a_200000210301_100000183290 [0,2,0,0,0,0|0,0,2]=4 9231 B12R1.267 CSCCOc1ccccc1F 7a_100000210171_100000212216 [0,2,0,0,0,0|0,0,2]=4 9232 B12R1.267 CSCCOc1ccccc1I 34a_100000739446_100000212216 [0,2,0,0,0,0|0,0,2]=4 9233 B12R1.267 CSCCOc1ccccc1I 7a_100000739446_100000212216 [0,2,0,0,0,0|0,0,2]=4 9234 B12R1.267 CSCCOc1ccccc1N 34a_100000185747_100000212216 [0,2,0,0,0,0|0,0,2]=4 9235 B12R1.267 CSCCOc1ccccc1N 7a_100000185747_100000212216 [0,2,0,0,0,0|0,0,2]=4 9236 B12R1.267 CSCOCc1ccccc1Br 34a_100000756307_100011218213 [0,2,0,0,0,0|1,0,1]=4 9237 B12R1.267 CSCOCc1ccccc1C 34a_100000698903_100011218213 [0,2,0,0,0,0|1,0,1]=4 9238 B12R1.267 CSCOCc1ccccc1Cl 34a_100000210847_100011218213 [0,2,0,0,0,0|1,0,1]=4 9239 B12R1.267 CSCOCc1ccccc1F 34a_100000211962_100011218213 [0,2,0,0,0,0|1,0,1]=4 9240 B12R1.267 CSCOCc1ccccc1I 34a_100000187465_100011218213 [0,2,0,0,0,0|1,0,1]=4 9241 B12R1.267 CSCOCc1ccccc1N 34a_100000212039_100011218213 [0,2,0,0,0,0|1,0,1]=4 9242 B12R1.267 Cc1ccccc1CNCC=O 34a_100000174972_200009817547 [0,2,0,0,0,0|2,0,0]=4 9243 B12R1.267 Cc1ccccc1COCC#N 7a_100000698903_100011215382 [0,2,0,0,0,0|1,0,1]=4 9244 B12R1.267 Cc1ccccc1COCC=O 34a_100000698903_200009817547 [0,2,0,0,0,0|1,0,0]=3 9245 B12R1.267 Cc1ccccc1COCC=O 7a_100000698903_200015260668 [0,2,0,0,0,0|1,0,0]=3 9246 B12R1.267 Cc1ccccc1COCCBr 34a_100000211926_100000211839 [0,2,0,0,0,0|1,0,1]=4 9247 B12R1.267 Cc1ccccc1COCCF 34a_100000698903_100011217306 [0,2,0,0,0,0|1,0,1]=4 9248 B12R1.267 Cc1ccccc1COCCF 7a_100000698903_100011217306 [0,2,0,0,0,0|1,0,1]=4 9249 B12R1.267 Cc1ccccc1COCCN 34a_100000210304_100000211839 [0,2,0,0,0,0|1,0,1]=4 9250 B12R1.267 Cc1ccccc1COCCO 34a_100000698903_100000211926 [0,2,0,0,0,0|1,0,1]=4 9251 B12R1.267 Cc1ccccc1COCCO 7a_100000698903_100000211926 [0,2,0,0,0,0|1,0,1]=4 9252 B12R1.267 Cc1ccccc1CSCC=O 62a_100000211839_200015260668 [0,2,0,0,0,0|1,1,0]=4 9253 B12R1.267 Cc1ccccc1CSCC=O 62a_200015260668_100000211839 [0,2,0,0,0,0|1,1,0]=4 9254 B12R1.267 Cc1ccccc1OCCC#N 7a_100000210338_100000184422 [0,2,0,0,0,0|0,0,2]=4 9255 B12R1.267 Cc1ccccc1OCCCF 34a_100000210338_100011934791 [0,2,0,0,0,0|0,0,2]=4 9256 B12R1.267 Cc1ccccc1OCCCF 7a_100000210338_100011934791 [0,2,0,0,0,0|0,0,2]=4 9257 B12R1.267 Cc1ccccc1OCCCO 34a_100000210338_100000230001 [0,2,0,0,0,0|0,0,2]=4 9258 B12R1.267 Cc1ccccc1OCCCO 7a_100000210338_100011215043 [0,2,0,0,0,0|0,0,2]=4 9259 B12R1.267 Cc1ccccc1OCCN[13CH3] 2230a_100000743344_200025704644 [0,2,0,0,0,0|0,0,2]=4 9260 B12R1.267 Cc1ccccc1OCCN[13CH3] 34a_100000743344_200025704644 [0,2,0,0,0,0|0,0,2]=4 9261 B12R1.267 Cc1ccccc1OCCS[13CH3] 62a_100000184434_200025704644 [0,2,0,0,0,0|0,0,2]=4 9262 B12R1.267 Cc1ccccc1OCCS[13CH3] 62a_200025704644_100000184434 [0,2,0,0,0,0|0,0,2]=4 9263 B12R1.267 Cc1cccnc1COCC=O 34a_100000698912_200009817547 [0,2,0,0,0,0|2,0,0]=4 9264 B12R1.267 Cc1ccncc1COCC=O 34a_100011996381_200009817547 [0,2,0,0,0,0|2,0,0]=4 9265 B12R1.267 Cc1cnccc1COCC=O 34a_100011997032_200009817547 [0,2,0,0,0,0|2,0,0]=4 9266 B12R1.267 Cc1ncccc1COCC=O 34a_100000729262_200009817547 [0,2,0,0,0,0|2,0,0]=4 9267 B12R1.267 Cc1ncccc1COCC=O 7a_100000729262_200015260668 [0,2,0,0,0,0|2,0,0]=4 9268 B12R1.267 Clc1ccccc1COCCBr 34a_100000211926_100000187162 [0,2,0,0,0,0|1,0,1]=4 9269 B12R1.267 FCCCOc1ccccc1Br 34a_100000181306_100011934791 [0,2,0,0,0,0|0,0,2]=4 9270 B12R1.267 FCCCOc1ccccc1Br 7a_100000181306_100011934791 [0,2,0,0,0,0|0,0,2]=4 9271 B12R1.267 FCCCOc1ccccc1Cl 34a_100000210172_100011934791 [0,2,0,0,0,0|0,0,2]=4 9272 B12R1.267 FCCCOc1ccccc1Cl 7a_100000210172_100011934791 [0,2,0,0,0,0|0,0,2]=4 9273 B12R1.267 FCCCOc1ccccc1F 34a_100000210171_100011934791 [0,2,0,0,0,0|0,0,2]=4 9274 B12R1.267 FCCCOc1ccccc1F 7a_100000210171_100011934791 [0,2,0,0,0,0|0,0,2]=4 9275 B12R1.267 FCCCOc1ccccc1I 34a_100000739446_100011934791 [0,2,0,0,0,0|0,0,2]=4 9276 B12R1.267 FCCCOc1ccccc1I 7a_100000739446_100011934791 [0,2,0,0,0,0|0,0,2]=4 9277 B12R1.267 FCCOCc1ccccc1Br 34a_100000756307_100011217306 [0,2,0,0,0,0|1,0,1]=4 9278 B12R1.267 FCCOCc1ccccc1Br 7a_100000756307_100011217306 [0,2,0,0,0,0|1,0,1]=4 9279 B12R1.267 FCCOCc1ccccc1Cl 34a_100000210847_100011217306 [0,2,0,0,0,0|1,0,1]=4 9280 B12R1.267 FCCOCc1ccccc1Cl 7a_100000210847_100011217306 [0,2,0,0,0,0|1,0,1]=4 9281 B12R1.267 FCCOCc1ccccc1F 34a_100000211962_100011217306 [0,2,0,0,0,0|1,0,1]=4 9282 B12R1.267 FCCOCc1ccccc1F 7a_100000211962_100011217306 [0,2,0,0,0,0|1,0,1]=4 9283 B12R1.267 FCCOCc1ccccc1I 34a_100000187465_100011217306 [0,2,0,0,0,0|1,0,1]=4 9284 B12R1.267 FCCOCc1ccccc1I 7a_100000187465_100011217306 [0,2,0,0,0,0|1,0,1]=4 9285 B12R1.267 Fc1ccccc1COCCBr 34a_100000211926_100000211605 [0,2,0,0,0,0|1,0,1]=4 9286 B12R1.267 N#CCCOc1ccccc1Br 7a_100000181306_100000184422 [0,2,0,0,0,0|0,0,2]=4 9287 B12R1.267 N#CCCOc1ccccc1Cl 7a_100000210172_100000184422 [0,2,0,0,0,0|0,0,2]=4 9288 B12R1.267 N#CCCOc1ccccc1F 7a_100000210171_100000184422 [0,2,0,0,0,0|0,0,2]=4 9289 B12R1.267 N#CCCOc1ccccc1I 7a_100000739446_100000184422 [0,2,0,0,0,0|0,0,2]=4 9290 B12R1.267 N#CCCOc1ccccc1N 7a_100000185747_100000184422 [0,2,0,0,0,0|0,0,2]=4 9291 B12R1.267 N#CCOCc1ccccc1Br 7a_100000756307_100011215382 [0,2,0,0,0,0|1,0,1]=4 9292 B12R1.267 N#CCOCc1ccccc1Cl 7a_100000210847_100011215382 [0,2,0,0,0,0|1,0,1]=4 9293 B12R1.267 N#CCOCc1ccccc1F 7a_100000211962_100011215382 [0,2,0,0,0,0|1,0,1]=4 9294 B12R1.267 N#CCOCc1ccccc1I 7a_100000187465_100011215382 [0,2,0,0,0,0|1,0,1]=4 9295 B12R1.267 NCCOCc1ccccc1Br 34a_100000210304_100000184730 [0,2,0,0,0,0|1,0,1]=4 9296 B12R1.267 NCCOCc1ccccc1Cl 34a_100000210304_100000187162 [0,2,0,0,0,0|1,0,1]=4 9297 B12R1.267 NCCOCc1ccccc1F 34a_100000210304_100000211605 [0,2,0,0,0,0|1,0,1]=4 9298 B12R1.267 NCCOCc1ccccc1I 34a_100000210304_100011215278 [0,2,0,0,0,0|1,0,1]=4 9299 B12R1.267 Nc1ccccc1COCC=O 34a_100000212039_200009817547 [0,2,0,0,0,0|1,0,0]=3 9300 B12R1.267 Nc1ccccc1COCCF 34a_100000212039_100011217306 [0,2,0,0,0,0|1,0,1]=4 9301 B12R1.267 Nc1ccccc1COCCO 34a_100000212039_100000211926 [0,2,0,0,0,0|1,0,1]=4 9302 B12R1.267 Nc1ccccc1OCCCF 34a_100000185747_100011934791 [0,2,0,0,0,0|0,0,2]=4 9303 B12R1.267 Nc1ccccc1OCCCF 7a_100000185747_100011934791 [0,2,0,0,0,0|0,0,2]=4 9304 B12R1.267 Nc1ccccc1OCCCO 34a_100000185747_100000230001 [0,2,0,0,0,0|0,0,2]=4 9305 B12R1.267 Nc1ccccc1OCCCO 7a_100000185747_100011215043 [0,2,0,0,0,0|0,0,2]=4 9306 B12R1.267 Nc1cccnc1COCC=O 34a_114873767017_200009817547 [0,2,0,0,0,0|2,0,0]=4 9307 B12R1.267 O=CCNCc1ccccc1Br 2230a_100000689332_200015260668 [0,2,0,0,0,0|2,0,0]=4 9308 B12R1.267 O=CCNCc1ccccc1Br 34a_100000689332_200009817547 [0,2,0,0,0,0|2,0,0]=4 9309 B12R1.267 O=CCNCc1ccccc1Cl 2230a_100000174879_200015260668 [0,2,0,0,0,0|2,0,0]=4 9310 B12R1.267 O=CCNCc1ccccc1Cl 34a_100000174879_200009817547 [0,2,0,0,0,0|2,0,0]=4 9311 B12R1.267 O=CCNCc1ccccc1F 34a_100000174869_200009817547 [0,2,0,0,0,0|2,0,0]=4 9312 B12R1.267 O=CCNCc1ccccc1O 34a_100000185550_200009817547 [0,2,0,0,0,0|2,0,0]=4 9313 B12R1.267 O=CCOCc1ccccc1Br 34a_100000756307_200009817547 [0,2,0,0,0,0|1,0,0]=3 9314 B12R1.267 O=CCOCc1ccccc1Br 7a_100000756307_200015260668 [0,2,0,0,0,0|1,0,0]=3 9315 B12R1.267 O=CCOCc1ccccc1Cl 34a_100000210847_200009817547 [0,2,0,0,0,0|1,0,0]=3 9316 B12R1.267 O=CCOCc1ccccc1Cl 7a_100000210847_200015260668 [0,2,0,0,0,0|1,0,0]=3 9317 B12R1.267 O=CCOCc1ccccc1F 34a_100000211962_200009817547 [0,2,0,0,0,0|1,0,0]=3 9318 B12R1.267 O=CCOCc1ccccc1F 7a_100000211962_200015260668 [0,2,0,0,0,0|1,0,0]=3 9319 B12R1.267 O=CCOCc1ccccc1I 34a_100000187465_200009817547 [0,2,0,0,0,0|1,0,0]=3 9320 B12R1.267 O=CCOCc1ccccc1I 7a_100000187465_200015260668 [0,2,0,0,0,0|1,0,0]=3 9321 B12R1.267 O=CCOCc1cccnc1Br 34a_100000719692_200009817547 [0,2,0,0,0,0|2,0,0]=4 9322 B12R1.267 O=CCOCc1cccnc1Br 7a_100000719692_200015260668 [0,2,0,0,0,0|2,0,0]=4 9323 B12R1.267 O=CCOCc1cccnc1Cl 34a_100000748726_200009817547 [0,2,0,0,0,0|2,0,0]=4 9324 B12R1.267 O=CCOCc1cccnc1Cl 7a_100000748726_200015260668 [0,2,0,0,0,0|2,0,0]=4 9325 B12R1.267 O=CCOCc1cccnc1F 34a_100000079888_200009817547 [0,2,0,0,0,0|2,0,0]=4 9326 B12R1.267 O=CCOCc1cccnc1F 7a_100000079888_200015260668 [0,2,0,0,0,0|2,0,0]=4 9327 B12R1.267 O=CCOCc1ccncc1F 34a_100012172863_200009817547 [0,2,0,0,0,0|2,0,0]=4 9328 B12R1.267 O=CCOCc1cnccc1Cl 34a_100000117392_200009817547 [0,2,0,0,0,0|2,0,0]=4 9329 B12R1.267 O=CCOCc1ncccc1Br 34a_100011996772_200009817547 [0,2,0,0,0,0|2,0,0]=4 9330 B12R1.267 O=CCOCc1ncccc1Cl 34a_100012002383_200009817547 [0,2,0,0,0,0|2,0,0]=4 9331 B12R1.267 O=CCOCc1ncccc1F 34a_100011934865_200009817547 [0,2,0,0,0,0|2,0,0]=4 9332 B12R1.267 O=CCSCc1ccccc1Br 62a_100000184730_200015260668 [0,2,0,0,0,0|1,1,0]=4 9333 B12R1.267 O=CCSCc1ccccc1Br 62a_200015260668_100000184730 [0,2,0,0,0,0|1,1,0]=4 9334 B12R1.267 O=CCSCc1ccccc1Cl 62a_100000187162_200015260668 [0,2,0,0,0,0|1,1,0]=4 9335 B12R1.267 O=CCSCc1ccccc1Cl 62a_200015260668_100000187162 [0,2,0,0,0,0|1,1,0]=4 9336 B12R1.267 O=CCSCc1ccccc1F 62a_100000211605_200015260668 [0,2,0,0,0,0|1,1,0]=4 9337 B12R1.267 O=CCSCc1ccccc1F 62a_200015260668_100000211605 [0,2,0,0,0,0|1,1,0]=4 9338 B12R1.267 O=CCSCc1ccccc1I 62a_100011216222_200015260668 [0,2,0,0,0,0|1,1,0]=4 9339 B12R1.267 O=CCSCc1ccccc1I 62a_200015260668_100011216222 [0,2,0,0,0,0|1,1,0]=4 9340 B12R1.267 OCCCOc1ccccc1Br 34a_100000181306_100000230001 [0,2,0,0,0,0|0,0,2]=4 9341 B12R1.267 OCCCOc1ccccc1Br 7a_100000181306_100011215043 [0,2,0,0,0,0|0,0,2]=4 9342 B12R1.267 OCCCOc1ccccc1Cl 34a_100000210172_100000230001 [0,2,0,0,0,0|0,0,2]=4 9343 B12R1.267 OCCCOc1ccccc1Cl 7a_100000210172_100011215043 [0,2,0,0,0,0|0,0,2]=4 9344 B12R1.267 OCCCOc1ccccc1F 34a_100000210171_100000230001 [0,2,0,0,0,0|0,0,2]=4 9345 B12R1.267 OCCCOc1ccccc1F 7a_100000210171_100011215043 [0,2,0,0,0,0|0,0,2]=4 9346 B12R1.267 OCCCOc1ccccc1I 34a_100000739446_100000230001 [0,2,0,0,0,0|0,0,2]=4 9347 B12R1.267 OCCCOc1ccccc1I 7a_100000739446_100011215043 [0,2,0,0,0,0|0,0,2]=4 9348 B12R1.267 OCCOCc1ccccc1Br 34a_100000756307_100000211926 [0,2,0,0,0,0|1,0,1]=4 9349 B12R1.267 OCCOCc1ccccc1Br 7a_100000756307_100000211926 [0,2,0,0,0,0|1,0,1]=4 9350 B12R1.267 OCCOCc1ccccc1Cl 34a_100000210847_100000211926 [0,2,0,0,0,0|1,0,1]=4 9351 B12R1.267 OCCOCc1ccccc1Cl 7a_100000210847_100000211926 [0,2,0,0,0,0|1,0,1]=4 9352 B12R1.267 OCCOCc1ccccc1F 34a_100000211962_100000211926 [0,2,0,0,0,0|1,0,1]=4 9353 B12R1.267 OCCOCc1ccccc1F 7a_100000211962_100000211926 [0,2,0,0,0,0|1,0,1]=4 9354 B12R1.267 OCCOCc1ccccc1I 34a_100000187465_100000211926 [0,2,0,0,0,0|1,0,1]=4 9355 B12R1.267 OCCOCc1ccccc1I 7a_100000187465_100000211926 [0,2,0,0,0,0|1,0,1]=4 9356 B12R1.267 [13CH3]NCCOc1ccccc1Br 2230a_100000744007_200025704644 [0,2,0,0,0,0|0,0,2]=4 9357 B12R1.267 [13CH3]NCCOc1ccccc1Br 34a_100000744007_200025704644 [0,2,0,0,0,0|0,0,2]=4 9358 B12R1.267 [13CH3]NCCOc1ccccc1Cl 2230a_100000174932_200025704644 [0,2,0,0,0,0|0,0,2]=4 9359 B12R1.267 [13CH3]NCCOc1ccccc1Cl 34a_100000174932_200025704644 [0,2,0,0,0,0|0,0,2]=4 9360 B12R1.267 [13CH3]NCCOc1ccccc1F 2230a_100000683764_200025704644 [0,2,0,0,0,0|0,0,2]=4 9361 B12R1.267 [13CH3]NCCOc1ccccc1F 34a_100000683764_200025704644 [0,2,0,0,0,0|0,0,2]=4 9362 B12R1.267 [13CH3]OCCOc1ccccc1Br 34a_100000230753_200025704644 [0,2,0,0,0,0|0,0,2]=4 9363 B12R1.267 [13CH3]OCCOc1ccccc1Br 7a_100000230753_200025704644 [0,2,0,0,0,0|0,0,2]=4 9364 B12R1.267 [13CH3]OCCOc1ccccc1Cl 34a_200000230518_200025704644 [0,2,0,0,0,0|0,0,2]=4 9365 B12R1.267 [13CH3]OCCOc1ccccc1Cl 7a_200000230518_200025704644 [0,2,0,0,0,0|0,0,2]=4 9366 B12R1.267 [13CH3]OCCOc1ccccc1F 34a_100000756447_200025704644 [0,2,0,0,0,0|0,0,2]=4 9367 B12R1.267 [13CH3]OCCOc1ccccc1F 7a_100000756447_200025704644 [0,2,0,0,0,0|0,0,2]=4 9368 B12R1.267 [13CH3]OCCOc1ccccc1N 34a_100132302172_200025704644 [0,2,0,0,0,0|0,0,2]=4 9369 B12R1.267 [13CH3]SCCOc1ccccc1Br 62a_100000695877_200025704644 [0,2,0,0,0,0|0,0,2]=4 9370 B12R1.267 [13CH3]SCCOc1ccccc1Br 62a_200025704644_100000695877 [0,2,0,0,0,0|0,0,2]=4 9371 B12R1.267 [13CH3]SCCOc1ccccc1F 62a_100000183290_200025704644 [0,2,0,0,0,0|0,0,2]=4 9372 B12R1.267 [13CH3]SCCOc1ccccc1F 62a_200025704644_100000183290 [0,2,0,0,0,0|0,0,2]=4 9373 B12R1.371 C#CC(C)Oc1ccccc1Br 34a_100000181306_200000035995 [0,2,0,0,0,0|0,0,2]=4 9374 B12R1.371 C#CC(C)Oc1ccccc1C 34a_100000210338_200000035995 [0,2,0,0,0,0|0,0,2]=4 9375 B12R1.371 C#CC(C)Oc1ccccc1Cl 34a_100000210172_200000035995 [0,2,0,0,0,0|0,0,2]=4 9376 B12R1.371 C#CC(C)Oc1ccccc1F 34a_100000210171_200000035995 [0,2,0,0,0,0|0,0,2]=4 9377 B12R1.371 C#CC(C)Oc1ccccc1I 34a_100000739446_200000035995 [0,2,0,0,0,0|0,0,2]=4 9378 B12R1.371 C#CC(C)Oc1ccccc1N 34a_100000185747_200000035995 [0,2,0,0,0,0|0,0,2]=4 9379 B12R1.371 C=CC(=O)Cc1ccccc1Br 1458a_100000185746_100000184730 [0,2,0,0,0,0|1,0,1]=4 9380 B12R1.371 C=CC(=O)Cc1ccccc1C 1458a_100000185746_100000211839 [0,2,0,0,0,0|1,0,1]=4 9381 B12R1.371 C=CC(=O)Cc1ccccc1Cl 1458a_100000185746_100000187162 [0,2,0,0,0,0|1,0,1]=4 9382 B12R1.371 C=CC(=O)Cc1ccccc1F 1458a_100000185746_100000187165 [0,2,0,0,0,0|1,0,1]=4 9383 B12R1.371 C=CC(=O)Cc1ccccc1I 1458a_100000185746_100011216222 [0,2,0,0,0,0|1,0,1]=4 9384 B12R1.371 C=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000185746 [0,2,0,0,0,0|1,0,1]=4 9385 B12R1.371 C=CC(=O)Nc1ccccc1C 1626a_100015192222_100000185746 [0,2,0,0,0,0|1,0,1]=4 9386 B12R1.371 C=CC(=O)Nc1ccccc1C 22a_100015192222_100000185746 [0,2,0,0,0,0|1,0,1]=4 9387 B12R1.371 C=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000185746 [0,2,0,0,0,0|1,0,1]=4 9388 B12R1.371 C=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000185746 [0,2,0,0,0,0|1,0,1]=4 9389 B12R1.371 C=CC(=O)Nc1ccccc1F 1626a_100000210422_100000185746 [0,2,0,0,0,0|1,0,1]=4 9390 B12R1.371 C=CC(=O)Nc1ccccc1F 22a_100000210422_100000185746 [0,2,0,0,0,0|1,0,1]=4 9391 B12R1.371 C=CC(=O)Nc1ccccc1I 1626a_100000210053_100000185746 [0,2,0,0,0,0|1,0,1]=4 9392 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [0,2,0,0,0,0|1,0,1]=4 9393 B12R1.371 C=CC(C)Sc1c[nH]ccc1=O 62a_100011215867_100009998708 [0,2,0,0,0,0|1,1,0]=4 9394 B12R1.371 C=CC(C)Sc1c[nH]ccc1=S 62a_100011215867_200012280681 [0,2,0,0,0,0|1,1,0]=4 9395 B12R1.371 C=CC(C)Sc1cccc[n+]1C 62a_100011215867_100000212160 [0,2,0,0,0,0|1,1,0]=4 9396 B12R1.371 C=CC(C)Sc1cccc[n+]1[O-] 62a_100011215867_200000042595 [0,2,0,0,0,0|1,1,0]=4 9397 B12R1.371 C=CC(C)Sc1ccccc1Br 62a_100011215867_100000695589 [0,2,0,0,0,0|0,1,0]=3 9398 B12R1.371 C=CC(C)Sc1ccccc1C 62a_100011215867_100000210755 [0,2,0,0,0,0|0,1,0]=3 9399 B12R1.371 C=CC(C)Sc1ccccc1Cl 62a_100011215867_100000764095 [0,2,0,0,0,0|0,1,0]=3 9400 B12R1.371 C=CC(C)Sc1ccccc1F 62a_100011215867_100011215700 [0,2,0,0,0,0|0,1,0]=3 9401 B12R1.371 C=CC(C)Sc1ccccc1N 62a_100011215867_100000210017 [0,2,0,0,0,0|0,1,0]=3 9402 B12R1.371 C=CC(C)Sc1ccccc1O 62a_100011215867_100000739446 [0,2,0,0,0,0|0,1,0]=3 9403 B12R1.371 C=CC(C)Sc1cccnc1Br 62a_100011215867_100010202626 [0,2,0,0,0,0|1,1,0]=4 9404 B12R1.371 C=CC(C)Sc1cccnc1C 62a_100011215867_100000751574 [0,2,0,0,0,0|1,1,0]=4 9405 B12R1.371 C=CC(C)Sc1cccnc1Cl 62a_100011215867_100000036424 [0,2,0,0,0,0|1,1,0]=4 9406 B12R1.371 C=CC(C)Sc1cccnc1F 62a_100011215867_100009816115 [0,2,0,0,0,0|1,1,0]=4 9407 B12R1.371 C=CC(C)Sc1cccnc1N 62a_100011215867_100000045569 [0,2,0,0,0,0|1,1,0]=4 9408 B12R1.371 C=CC(C)Sc1cccnc1O 62a_100011215867_100000760158 [0,2,0,0,0,0|1,1,0]=4 9409 B12R1.371 C=CC(C)Sc1ccncc1Br 62a_100011215867_100000726257 [0,2,0,0,0,0|1,1,0]=4 9410 B12R1.371 C=CC(C)Sc1ccncc1C 62a_100011215867_100000765111 [0,2,0,0,0,0|1,1,0]=4 9411 B12R1.371 C=CC(C)Sc1ccncc1Cl 62a_100011215867_100000708259 [0,2,0,0,0,0|1,1,0]=4 9412 B12R1.371 C=CC(C)Sc1ccncc1F 62a_100011215867_100000047030 [0,2,0,0,0,0|1,1,0]=4 9413 B12R1.371 C=CC(C)Sc1ccncc1N 62a_100011215867_100000756074 [0,2,0,0,0,0|1,1,0]=4 9414 B12R1.371 C=CC(C)Sc1ccncc1O 62a_100011215867_100009817591 [0,2,0,0,0,0|1,1,0]=4 9415 B12R1.371 C=CC(C)Sc1cnccc1Br 62a_100011215867_100010138639 [0,2,0,0,0,0|1,1,0]=4 9416 B12R1.371 C=CC(C)Sc1cnccc1C 62a_100011215867_100000761580 [0,2,0,0,0,0|1,1,0]=4 9417 B12R1.371 C=CC(C)Sc1cnccc1Cl 62a_100011215867_100009995489 [0,2,0,0,0,0|1,1,0]=4 9418 B12R1.371 C=CC(C)Sc1cnccc1F 62a_100011215867_100009820683 [0,2,0,0,0,0|1,1,0]=4 9419 B12R1.371 C=CC(C)Sc1cnccc1N 62a_100011215867_100000047001 [0,2,0,0,0,0|1,1,0]=4 9420 B12R1.371 C=CC(C)Sc1ncccc1Br 62a_100011215867_100000696092 [0,2,0,0,0,0|1,1,0]=4 9421 B12R1.371 C=CC(C)Sc1ncccc1C 62a_100011215867_100000751373 [0,2,0,0,0,0|1,1,0]=4 9422 B12R1.371 C=CC(C)Sc1ncccc1Cl 62a_100011215867_100011356963 [0,2,0,0,0,0|1,1,0]=4 9423 B12R1.371 C=CC(C)Sc1ncccc1F 62a_100011215867_100000685392 [0,2,0,0,0,0|1,1,0]=4 9424 B12R1.371 C=CC(C)Sc1ncccc1N 62a_100011215867_100000688686 [0,2,0,0,0,0|1,1,0]=4 9425 B12R1.371 C=CC(C)Sc1ncccc1O 62a_100011215867_100000034122 [0,2,0,0,0,0|1,1,0]=4 9426 B12R1.371 CC(C#N)Oc1ccccc1Br 7a_100000181306_100000703298 [0,2,0,0,0,0|1,0,1]=4 9427 B12R1.371 CC(C#N)Oc1ccccc1Cl 7a_100000210172_100000703298 [0,2,0,0,0,0|1,0,1]=4 9428 B12R1.371 CC(C#N)Oc1ccccc1F 7a_100000210171_100000703298 [0,2,0,0,0,0|1,0,1]=4 9429 B12R1.371 CC(C#N)Oc1ccccc1I 7a_100000739446_100000703298 [0,2,0,0,0,0|1,0,1]=4 9430 B12R1.371 CC(C#N)Oc1ccccc1N 7a_100000185747_100000703298 [0,2,0,0,0,0|1,0,1]=4 9431 B12R1.371 CC(CO)Oc1ccccc1Br 34a_100000181306_100012180447 [0,2,0,0,0,0|1,0,1]=4 9432 B12R1.371 CC(CO)Oc1ccccc1Br 7a_100000181306_100012180447 [0,2,0,0,0,0|1,0,1]=4 9433 B12R1.371 CC(CO)Oc1ccccc1Cl 34a_100000210172_100012180447 [0,2,0,0,0,0|1,0,1]=4 9434 B12R1.371 CC(CO)Oc1ccccc1Cl 7a_100000210172_100012180447 [0,2,0,0,0,0|1,0,1]=4 9435 B12R1.371 CC(CO)Oc1ccccc1F 34a_100000210171_100012180447 [0,2,0,0,0,0|1,0,1]=4 9436 B12R1.371 CC(CO)Oc1ccccc1F 7a_100000210171_100012180447 [0,2,0,0,0,0|1,0,1]=4 9437 B12R1.371 CC(CO)Oc1ccccc1I 34a_100000739446_100012180447 [0,2,0,0,0,0|1,0,1]=4 9438 B12R1.371 CC(CO)Oc1ccccc1I 7a_100000739446_100012180447 [0,2,0,0,0,0|1,0,1]=4 9439 B12R1.371 CC(CO)Oc1ccccc1N 34a_100000185747_100012180447 [0,2,0,0,0,0|1,0,1]=4 9440 B12R1.371 CC(CO)Oc1ccccc1N 7a_100000185747_100012180447 [0,2,0,0,0,0|1,0,1]=4 9441 B12R1.371 CCC(C)Oc1ccccc1Br 34a_100000181306_100011215416 [0,2,0,0,0,0|0,0,2]=4 9442 B12R1.371 CCC(C)Oc1ccccc1Br 7a_100000181306_100000758301 [0,2,0,0,0,0|0,0,2]=4 9443 B12R1.371 CCC(C)Oc1ccccc1C 34a_100000210338_100011215416 [0,2,0,0,0,0|0,0,2]=4 9444 B12R1.371 CCC(C)Oc1ccccc1C 7a_100000210338_100000758301 [0,2,0,0,0,0|0,0,2]=4 9445 B12R1.371 CCC(C)Oc1ccccc1Cl 34a_100000210172_100011215416 [0,2,0,0,0,0|0,0,2]=4 9446 B12R1.371 CCC(C)Oc1ccccc1Cl 7a_100000210172_100000758301 [0,2,0,0,0,0|0,0,2]=4 9447 B12R1.371 CCC(C)Oc1ccccc1F 34a_100000210171_100011215416 [0,2,0,0,0,0|0,0,2]=4 9448 B12R1.371 CCC(C)Oc1ccccc1F 7a_100000210171_100000758301 [0,2,0,0,0,0|0,0,2]=4 9449 B12R1.371 CCC(C)Oc1ccccc1I 34a_100000739446_100011215416 [0,2,0,0,0,0|0,0,2]=4 9450 B12R1.371 CCC(C)Oc1ccccc1I 7a_100000739446_100000758301 [0,2,0,0,0,0|0,0,2]=4 9451 B12R1.371 CCC(C)Oc1ccccc1N 34a_100000185747_100011215416 [0,2,0,0,0,0|0,0,2]=4 9452 B12R1.371 CCC(C)Oc1ccccc1N 7a_100000185747_100000758301 [0,2,0,0,0,0|0,0,2]=4 9453 B12R1.371 Cc1ccccc1OC(C)C#N 7a_100000210338_100000703298 [0,2,0,0,0,0|1,0,1]=4 9454 B12R1.371 Cc1ccccc1OC(C)CO 34a_100000210338_100012180447 [0,2,0,0,0,0|1,0,1]=4 9455 B12R1.371 Cc1ccccc1OC(C)CO 7a_100000210338_100012180447 [0,2,0,0,0,0|1,0,1]=4 9456 B12R1.374 C#CCOc1cc(ccc1Br)Br 34a_100011220040_100000184674 [0,2,0,0,0,0|0,0,2]=4 9457 B12R1.374 C#CCOc1cc(ccc1Br)Br 7a_100011220040_100000038162 [0,2,0,0,0,0|0,0,2]=4 9458 B12R1.374 C#CCOc1cc(ccc1Br)C 34a_100012002257_100000184674 [0,2,0,0,0,0|0,0,2]=4 9459 B12R1.374 C#CCOc1cc(ccc1Br)C 7a_100012002257_100000038162 [0,2,0,0,0,0|0,0,2]=4 9460 B12R1.374 C#CCOc1cc(ccc1Br)Cl 34a_100012339455_100000184674 [0,2,0,0,0,0|0,0,2]=4 9461 B12R1.374 C#CCOc1cc(ccc1Br)Cl 7a_100012339455_100000038162 [0,2,0,0,0,0|0,0,2]=4 9462 B12R1.374 C#CCOc1cc(ccc1Br)F 34a_100000690578_100000184674 [0,2,0,0,0,0|0,0,2]=4 9463 B12R1.374 C#CCOc1cc(ccc1Br)F 7a_100000690578_100000038162 [0,2,0,0,0,0|0,0,2]=4 9464 B12R1.374 C#CCOc1cc(ccc1Br)I 34a_100012356990_100000184674 [0,2,0,0,0,0|0,0,2]=4 9465 B12R1.374 C#CCOc1cc(ccc1Br)I 7a_100012356990_100000038162 [0,2,0,0,0,0|0,0,2]=4 9466 B12R1.374 C#CCOc1cc(ccc1C)Br 34a_100000685420_100000184674 [0,2,0,0,0,0|0,0,2]=4 9467 B12R1.374 C#CCOc1cc(ccc1C)Br 7a_100000685420_100000038162 [0,2,0,0,0,0|0,0,2]=4 9468 B12R1.374 C#CCOc1cc(ccc1C)C 34a_100000210931_100000184674 [0,2,0,0,0,0|0,0,2]=4 9469 B12R1.374 C#CCOc1cc(ccc1C)C 7a_100000210931_100000038162 [0,2,0,0,0,0|0,0,2]=4 9470 B12R1.374 C#CCOc1cc(ccc1C)Cl 34a_100000756515_100000184674 [0,2,0,0,0,0|0,0,2]=4 9471 B12R1.374 C#CCOc1cc(ccc1C)Cl 7a_100000756515_100000038162 [0,2,0,0,0,0|0,0,2]=4 9472 B12R1.374 C#CCOc1cc(ccc1C)F 34a_100000690566_100000184674 [0,2,0,0,0,0|0,0,2]=4 9473 B12R1.374 C#CCOc1cc(ccc1C)F 7a_100000690566_100000038162 [0,2,0,0,0,0|0,0,2]=4 9474 B12R1.374 C#CCOc1cc(ccc1C)I 7a_100000766334_100000038162 [0,2,0,0,0,0|0,0,2]=4 9475 B12R1.374 C#CCOc1cc(ccc1C)N 34a_100000759471_100000184674 [0,2,0,0,0,0|0,0,2]=4 9476 B12R1.374 C#CCOc1cc(ccc1C)N 7a_100000759471_100000038162 [0,2,0,0,0,0|0,0,2]=4 9477 B12R1.374 C#CCOc1cc(ccc1Cl)Br 34a_100000738945_100000184674 [0,2,0,0,0,0|0,0,2]=4 9478 B12R1.374 C#CCOc1cc(ccc1Cl)Br 7a_100000738945_100000038162 [0,2,0,0,0,0|0,0,2]=4 9479 B12R1.374 C#CCOc1cc(ccc1Cl)C 34a_100000211493_100000184674 [0,2,0,0,0,0|0,0,2]=4 9480 B12R1.374 C#CCOc1cc(ccc1Cl)C 7a_100000211493_100000038162 [0,2,0,0,0,0|0,0,2]=4 9481 B12R1.374 C#CCOc1cc(ccc1Cl)Cl 34a_100000211422_100000184674 [0,2,0,0,0,0|0,0,2]=4 9482 B12R1.374 C#CCOc1cc(ccc1Cl)Cl 7a_100000211422_100000038162 [0,2,0,0,0,0|0,0,2]=4 9483 B12R1.374 C#CCOc1cc(ccc1Cl)F 34a_100000692107_100000184674 [0,2,0,0,0,0|0,0,2]=4 9484 B12R1.374 C#CCOc1cc(ccc1Cl)F 7a_100000692107_100000038162 [0,2,0,0,0,0|0,0,2]=4 9485 B12R1.374 C#CCOc1cc(ccc1Cl)I 34a_100011356854_100000184674 [0,2,0,0,0,0|0,0,2]=4 9486 B12R1.374 C#CCOc1cc(ccc1Cl)I 7a_100011356854_100000038162 [0,2,0,0,0,0|0,0,2]=4 9487 B12R1.374 C#CCOc1cc(ccc1Cl)N 34a_100011934209_100000184674 [0,2,0,0,0,0|0,0,2]=4 9488 B12R1.374 C#CCOc1cc(ccc1F)Br 34a_100000686035_100000184674 [0,2,0,0,0,0|0,0,2]=4 9489 B12R1.374 C#CCOc1cc(ccc1F)Br 7a_100000686035_100000038162 [0,2,0,0,0,0|0,0,2]=4 9490 B12R1.374 C#CCOc1cc(ccc1F)C 34a_100000759540_100000184674 [0,2,0,0,0,0|0,0,2]=4 9491 B12R1.374 C#CCOc1cc(ccc1F)C 7a_100000759540_100000038162 [0,2,0,0,0,0|0,0,2]=4 9492 B12R1.374 C#CCOc1cc(ccc1F)Cl 34a_100000757397_100000184674 [0,2,0,0,0,0|0,0,2]=4 9493 B12R1.374 C#CCOc1cc(ccc1F)Cl 7a_100000757397_100000038162 [0,2,0,0,0,0|0,0,2]=4 9494 B12R1.374 C#CCOc1cc(ccc1F)F 34a_100000752141_100000184674 [0,2,0,0,0,0|0,0,2]=4 9495 B12R1.374 C#CCOc1cc(ccc1F)F 7a_100000752141_100000038162 [0,2,0,0,0,0|0,0,2]=4 9496 B12R1.374 C#CCOc1cc(ccc1F)I 34a_100009958187_100000184674 [0,2,0,0,0,0|0,0,2]=4 9497 B12R1.374 C#CCOc1cc(ccc1F)I 7a_100009958187_100000038162 [0,2,0,0,0,0|0,0,2]=4 9498 B12R1.374 C#CCOc1cc(ccc1F)N 34a_100012017398_100000184674 [0,2,0,0,0,0|0,0,2]=4 9499 B12R1.374 C#CCOc1cc(ccc1F)N 7a_100012017398_100000038162 [0,2,0,0,0,0|0,0,2]=4 9500 B12R1.374 C#CCOc1cc(ccc1I)Br 34a_100012344904_100000184674 [0,2,0,0,0,0|0,0,2]=4 9501 B12R1.374 C#CCOc1cc(ccc1I)Br 7a_100012344904_100000038162 [0,2,0,0,0,0|0,0,2]=4 9502 B12R1.374 C#CCOc1cc(ccc1I)Cl 34a_100000050036_100000184674 [0,2,0,0,0,0|0,0,2]=4 9503 B12R1.374 C#CCOc1cc(ccc1I)Cl 7a_100000050036_100000038162 [0,2,0,0,0,0|0,0,2]=4 9504 B12R1.374 C#CCOc1cc(ccc1I)F 34a_100010084537_100000184674 [0,2,0,0,0,0|0,0,2]=4 9505 B12R1.374 C#CCOc1cc(ccc1I)F 7a_100010084537_100000038162 [0,2,0,0,0,0|0,0,2]=4 9506 B12R1.374 C#CCOc1cc(ccc1N)Br 34a_100000739049_100000184674 [0,2,0,0,0,0|0,0,2]=4 9507 B12R1.374 C#CCOc1cc(ccc1N)Br 7a_100000739049_100000038162 [0,2,0,0,0,0|0,0,2]=4 9508 B12R1.374 C#CCOc1cc(ccc1N)C 34a_100000211527_100000184674 [0,2,0,0,0,0|0,0,2]=4 9509 B12R1.374 C#CCOc1cc(ccc1N)C 7a_100000211527_100000038162 [0,2,0,0,0,0|0,0,2]=4 9510 B12R1.374 C#CCOc1cc(ccc1N)Cl 34a_100000185728_100000184674 [0,2,0,0,0,0|0,0,2]=4 9511 B12R1.374 C#CCOc1cc(ccc1N)Cl 7a_100000185728_100000038162 [0,2,0,0,0,0|0,0,2]=4 9512 B12R1.374 C#CCOc1cc(ccc1N)F 34a_100000753323_100000184674 [0,2,0,0,0,0|0,0,2]=4 9513 B12R1.374 C#CCOc1cc(ccc1N)F 7a_100000753323_100000038162 [0,2,0,0,0,0|0,0,2]=4 9514 B12R1.374 C#CCOc1cc(ccc1N)I 34a_100000057187_100000184674 [0,2,0,0,0,0|0,0,2]=4 9515 B12R1.374 C#CCOc1cc(ccc1N)I 7a_100000057187_100000038162 [0,2,0,0,0,0|0,0,2]=4 9516 B12R1.374 C#CCOc1cc(ccc1N)N 34a_100025717382_100000184674 [0,2,0,0,0,0|0,0,2]=4 9517 B12R1.374 C=CCNc1cc(ccc1Br)Br 34a_100000737762_100015514636 [0,2,0,0,0,0|1,0,0]=3 9518 B12R1.374 C=CCNc1cc(ccc1Br)C 34a_100000745044_100015514636 [0,2,0,0,0,0|1,0,0]=3 9519 B12R1.374 C=CCNc1cc(ccc1Br)Cl 34a_100000687073_100015514636 [0,2,0,0,0,0|1,0,0]=3 9520 B12R1.374 C=CCNc1cc(ccc1Br)F 34a_100000687223_100015514636 [0,2,0,0,0,0|1,0,0]=3 9521 B12R1.374 C=CCNc1cc(ccc1Br)O 34a_100011999798_100015514636 [0,2,0,0,0,0|1,0,0]=3 9522 B12R1.374 C=CCNc1cc(ccc1C)Br 34a_100000741167_100015514636 [0,2,0,0,0,0|1,0,0]=3 9523 B12R1.374 C=CCNc1cc(ccc1C)Br 7a_100000741167_100015514636 [0,2,0,0,0,0|1,0,0]=3 9524 B12R1.374 C=CCNc1cc(ccc1C)C 2230a_100000185781_100000210623 [0,2,0,0,0,0|1,0,0]=3 9525 B12R1.374 C=CCNc1cc(ccc1C)C 34a_100000185781_100015514636 [0,2,0,0,0,0|1,0,0]=3 9526 B12R1.374 C=CCNc1cc(ccc1C)C 7a_100000185781_100015514636 [0,2,0,0,0,0|1,0,0]=3 9527 B12R1.374 C=CCNc1cc(ccc1C)Cl 34a_100000211374_100015514636 [0,2,0,0,0,0|1,0,0]=3 9528 B12R1.374 C=CCNc1cc(ccc1C)Cl 7a_100000211374_100015514636 [0,2,0,0,0,0|1,0,0]=3 9529 B12R1.374 C=CCNc1cc(ccc1C)F 34a_100000211107_100015514636 [0,2,0,0,0,0|1,0,0]=3 9530 B12R1.374 C=CCNc1cc(ccc1C)F 7a_100000211107_100015514636 [0,2,0,0,0,0|1,0,0]=3 9531 B12R1.374 C=CCNc1cc(ccc1C)I 7a_100000761890_100015514636 [0,2,0,0,0,0|1,0,0]=3 9532 B12R1.374 C=CCNc1cc(ccc1C)O 34a_100011216113_100015514636 [0,2,0,0,0,0|1,0,0]=3 9533 B12R1.374 C=CCNc1cc(ccc1Cl)Br 34a_100000750497_100015514636 [0,2,0,0,0,0|1,0,0]=3 9534 B12R1.374 C=CCNc1cc(ccc1Cl)C 34a_100011215360_100015514636 [0,2,0,0,0,0|1,0,0]=3 9535 B12R1.374 C=CCNc1cc(ccc1Cl)Cl 34a_100000184485_100015514636 [0,2,0,0,0,0|1,0,0]=3 9536 B12R1.374 C=CCNc1cc(ccc1Cl)F 34a_100000751338_100015514636 [0,2,0,0,0,0|1,0,0]=3 9537 B12R1.374 C=CCNc1cc(ccc1Cl)I 34a_200000761891_100015514636 [0,2,0,0,0,0|1,0,0]=3 9538 B12R1.374 C=CCNc1cc(ccc1Cl)O 34a_100011934297_100015514636 [0,2,0,0,0,0|1,0,0]=3 9539 B12R1.374 C=CCNc1cc(ccc1F)Br 34a_100000740924_100015514636 [0,2,0,0,0,0|1,0,0]=3 9540 B12R1.374 C=CCNc1cc(ccc1F)C 34a_100000211285_100015514636 [0,2,0,0,0,0|1,0,0]=3 9541 B12R1.374 C=CCNc1cc(ccc1F)Cl 34a_100000212115_100015514636 [0,2,0,0,0,0|1,0,0]=3 9542 B12R1.374 C=CCNc1cc(ccc1F)F 34a_100000210742_100015514636 [0,2,0,0,0,0|1,0,0]=3 9543 B12R1.374 C=CCNc1cc(ccc1F)I 34a_100011464823_100015514636 [0,2,0,0,0,0|1,0,0]=3 9544 B12R1.374 C=CCNc1cc(ccc1F)O 34a_100012017239_100015514636 [0,2,0,0,0,0|1,0,0]=3 9545 B12R1.374 C=CCNc1cc(ccc1I)Br 34a_100000743836_100015514636 [0,2,0,0,0,0|1,0,0]=3 9546 B12R1.374 C=CCNc1cc(ccc1I)C 34a_100011216686_100015514636 [0,2,0,0,0,0|1,0,0]=3 9547 B12R1.374 C=CCNc1cc(ccc1I)Cl 34a_100000761886_100015514636 [0,2,0,0,0,0|1,0,0]=3 9548 B12R1.374 C=CCNc1cc(ccc1I)F 34a_100011218093_100015514636 [0,2,0,0,0,0|1,0,0]=3 9549 B12R1.374 C=CCNc1cc(ccc1O)Br 34a_100000752626_100015514636 [0,2,0,0,0,0|1,0,0]=3 9550 B12R1.374 C=CCNc1cc(ccc1O)C 34a_100011215204_100015514636 [0,2,0,0,0,0|1,0,0]=3 9551 B12R1.374 C=CCNc1cc(ccc1O)Cl 34a_100000210500_100015514636 [0,2,0,0,0,0|1,0,0]=3 9552 B12R1.374 C=CCNc1cc(ccc1O)F 34a_100000759472_100015514636 [0,2,0,0,0,0|1,0,0]=3 9553 B12R1.374 C=CCNc1cc(cnc1F)Br 27a_100020586998_100010172738 [0,2,0,0,0,0|2,0,0]=4 9554 B12R1.374 C=CCNc1cc(cnc1F)C 27a_100020586998_100009820679 [0,2,0,0,0,0|2,0,0]=4 9555 B12R1.374 C=CCNc1cc(cnc1F)Cl 27a_100020586998_100010188783 [0,2,0,0,0,0|2,0,0]=4 9556 B12R1.374 C=CCNc1cc(ncc1Br)Br 27a_100020586998_100010171693 [0,2,0,0,0,0|2,0,0]=4 9557 B12R1.374 C=CCNc1cc(ncc1C)F 27a_100020586998_100000049870 [0,2,0,0,0,0|2,0,0]=4 9558 B12R1.374 C=CCNc1cc(ncc1Cl)F 27a_100020586998_100009892587 [0,2,0,0,0,0|2,0,0]=4 9559 B12R1.374 C=CCNc1cc(ncc1F)C 27a_100020586998_100009867690 [0,2,0,0,0,0|2,0,0]=4 9560 B12R1.374 C=CCNc1cc(ncc1F)F 27a_100020586998_100010233071 [0,2,0,0,0,0|2,0,0]=4 9561 B12R1.374 C=CCNc1nc(ccc1F)F 27a_100020586998_100010997973 [0,2,0,0,0,0|2,0,0]=4 9562 B12R1.374 C=CCNc1nc(ccc1N)F 27a_100020586998_100009879877 [0,2,0,0,0,0|2,0,0]=4 9563 B12R1.374 C=CCOc1cc(=O)[nH]cc1Cl 34a_100000069390_100015514636 [0,2,0,0,0,0|1,0,0]=3 9564 B12R1.374 C=CCOc1cc(ccc1Br)Br 34a_100011220040_100015514636 [0,2,0,0,0,0|0,0,0]=2 9565 B12R1.374 C=CCOc1cc(ccc1Br)Br 7a_100011220040_100015514636 [0,2,0,0,0,0|0,0,0]=2 9566 B12R1.374 C=CCOc1cc(ccc1Br)C 34a_100012002257_100015514636 [0,2,0,0,0,0|0,0,0]=2 9567 B12R1.374 C=CCOc1cc(ccc1Br)C 7a_100012002257_100015514636 [0,2,0,0,0,0|0,0,0]=2 9568 B12R1.374 C=CCOc1cc(ccc1Br)Cl 34a_100012339455_100015514636 [0,2,0,0,0,0|0,0,0]=2 9569 B12R1.374 C=CCOc1cc(ccc1Br)Cl 7a_100012339455_100015514636 [0,2,0,0,0,0|0,0,0]=2 9570 B12R1.374 C=CCOc1cc(ccc1Br)F 34a_100000690578_100015514636 [0,2,0,0,0,0|0,0,0]=2 9571 B12R1.374 C=CCOc1cc(ccc1Br)F 7a_100000690578_100015514636 [0,2,0,0,0,0|0,0,0]=2 9572 B12R1.374 C=CCOc1cc(ccc1Br)I 34a_100012356990_100015514636 [0,2,0,0,0,0|0,0,0]=2 9573 B12R1.374 C=CCOc1cc(ccc1Br)I 7a_100012356990_100015514636 [0,2,0,0,0,0|0,0,0]=2 9574 B12R1.374 C=CCOc1cc(ccc1C)Br 34a_100000685420_100015514636 [0,2,0,0,0,0|0,0,0]=2 9575 B12R1.374 C=CCOc1cc(ccc1C)Br 7a_100000685420_100015514636 [0,2,0,0,0,0|0,0,0]=2 9576 B12R1.374 C=CCOc1cc(ccc1C)C 34a_100000210931_100015514636 [0,2,0,0,0,0|0,0,0]=2 9577 B12R1.374 C=CCOc1cc(ccc1C)C 7a_100000210931_100015514636 [0,2,0,0,0,0|0,0,0]=2 9578 B12R1.374 C=CCOc1cc(ccc1C)Cl 34a_100000756515_100015514636 [0,2,0,0,0,0|0,0,0]=2 9579 B12R1.374 C=CCOc1cc(ccc1C)Cl 7a_100000756515_100015514636 [0,2,0,0,0,0|0,0,0]=2 9580 B12R1.374 C=CCOc1cc(ccc1C)F 34a_100000690566_100015514636 [0,2,0,0,0,0|0,0,0]=2 9581 B12R1.374 C=CCOc1cc(ccc1C)F 7a_100000690566_100015514636 [0,2,0,0,0,0|0,0,0]=2 9582 B12R1.374 C=CCOc1cc(ccc1C)I 7a_100000766334_100015514636 [0,2,0,0,0,0|0,0,0]=2 9583 B12R1.374 C=CCOc1cc(ccc1C)N 34a_100000759471_100015514636 [0,2,0,0,0,0|0,0,0]=2 9584 B12R1.374 C=CCOc1cc(ccc1C)N 7a_100000759471_100015514636 [0,2,0,0,0,0|0,0,0]=2 9585 B12R1.374 C=CCOc1cc(ccc1Cl)Br 34a_100000738945_100015514636 [0,2,0,0,0,0|0,0,0]=2 9586 B12R1.374 C=CCOc1cc(ccc1Cl)Br 7a_100000738945_100015514636 [0,2,0,0,0,0|0,0,0]=2 9587 B12R1.374 C=CCOc1cc(ccc1Cl)C 34a_100000211493_100015514636 [0,2,0,0,0,0|0,0,0]=2 9588 B12R1.374 C=CCOc1cc(ccc1Cl)C 7a_100000211493_100015514636 [0,2,0,0,0,0|0,0,0]=2 9589 B12R1.374 C=CCOc1cc(ccc1Cl)Cl 34a_100000211422_100015514636 [0,2,0,0,0,0|0,0,0]=2 9590 B12R1.374 C=CCOc1cc(ccc1Cl)Cl 7a_100000211422_100015514636 [0,2,0,0,0,0|0,0,0]=2 9591 B12R1.374 C=CCOc1cc(ccc1Cl)F 34a_100000692107_100015514636 [0,2,0,0,0,0|0,0,0]=2 9592 B12R1.374 C=CCOc1cc(ccc1Cl)F 7a_100000692107_100015514636 [0,2,0,0,0,0|0,0,0]=2 9593 B12R1.374 C=CCOc1cc(ccc1Cl)I 34a_100011356854_100015514636 [0,2,0,0,0,0|0,0,0]=2 9594 B12R1.374 C=CCOc1cc(ccc1Cl)I 7a_100011356854_100015514636 [0,2,0,0,0,0|0,0,0]=2 9595 B12R1.374 C=CCOc1cc(ccc1Cl)N 34a_100011934209_100015514636 [0,2,0,0,0,0|0,0,0]=2 9596 B12R1.374 C=CCOc1cc(ccc1F)Br 34a_100000686035_100015514636 [0,2,0,0,0,0|0,0,0]=2 9597 B12R1.374 C=CCOc1cc(ccc1F)Br 7a_100000686035_100015514636 [0,2,0,0,0,0|0,0,0]=2 9598 B12R1.374 C=CCOc1cc(ccc1F)C 34a_100000759540_100015514636 [0,2,0,0,0,0|0,0,0]=2 9599 B12R1.374 C=CCOc1cc(ccc1F)C 7a_100000759540_100015514636 [0,2,0,0,0,0|0,0,0]=2 9600 B12R1.374 C=CCOc1cc(ccc1F)Cl 34a_100000757397_100015514636 [0,2,0,0,0,0|0,0,0]=2 9601 B12R1.374 C=CCOc1cc(ccc1F)Cl 7a_100000757397_100015514636 [0,2,0,0,0,0|0,0,0]=2 9602 B12R1.374 C=CCOc1cc(ccc1F)F 34a_100000752141_100015514636 [0,2,0,0,0,0|0,0,0]=2 9603 B12R1.374 C=CCOc1cc(ccc1F)F 7a_100000752141_100015514636 [0,2,0,0,0,0|0,0,0]=2 9604 B12R1.374 C=CCOc1cc(ccc1F)I 34a_100009958187_100015514636 [0,2,0,0,0,0|0,0,0]=2 9605 B12R1.374 C=CCOc1cc(ccc1F)I 7a_100009958187_100015514636 [0,2,0,0,0,0|0,0,0]=2 9606 B12R1.374 C=CCOc1cc(ccc1F)N 34a_100012017398_100015514636 [0,2,0,0,0,0|0,0,0]=2 9607 B12R1.374 C=CCOc1cc(ccc1F)N 7a_100012017398_100015514636 [0,2,0,0,0,0|0,0,0]=2 9608 B12R1.374 C=CCOc1cc(ccc1I)Br 34a_100012344904_100015514636 [0,2,0,0,0,0|0,0,0]=2 9609 B12R1.374 C=CCOc1cc(ccc1I)Br 7a_100012344904_100015514636 [0,2,0,0,0,0|0,0,0]=2 9610 B12R1.374 C=CCOc1cc(ccc1I)Cl 34a_100000050036_100015514636 [0,2,0,0,0,0|0,0,0]=2 9611 B12R1.374 C=CCOc1cc(ccc1I)Cl 7a_100000050036_100015514636 [0,2,0,0,0,0|0,0,0]=2 9612 B12R1.374 C=CCOc1cc(ccc1I)F 34a_100010084537_100015514636 [0,2,0,0,0,0|0,0,0]=2 9613 B12R1.374 C=CCOc1cc(ccc1I)F 7a_100010084537_100015514636 [0,2,0,0,0,0|0,0,0]=2 9614 B12R1.374 C=CCOc1cc(ccc1N)Br 34a_100000739049_100015514636 [0,2,0,0,0,0|0,0,0]=2 9615 B12R1.374 C=CCOc1cc(ccc1N)Br 7a_100000739049_100015514636 [0,2,0,0,0,0|0,0,0]=2 9616 B12R1.374 C=CCOc1cc(ccc1N)C 34a_100000211527_100015514636 [0,2,0,0,0,0|0,0,0]=2 9617 B12R1.374 C=CCOc1cc(ccc1N)C 7a_100000211527_100015514636 [0,2,0,0,0,0|0,0,0]=2 9618 B12R1.374 C=CCOc1cc(ccc1N)Cl 34a_100000185728_100015514636 [0,2,0,0,0,0|0,0,0]=2 9619 B12R1.374 C=CCOc1cc(ccc1N)Cl 7a_100000185728_100015514636 [0,2,0,0,0,0|0,0,0]=2 9620 B12R1.374 C=CCOc1cc(ccc1N)F 34a_100000753323_100015514636 [0,2,0,0,0,0|0,0,0]=2 9621 B12R1.374 C=CCOc1cc(ccc1N)F 7a_100000753323_100015514636 [0,2,0,0,0,0|0,0,0]=2 9622 B12R1.374 C=CCOc1cc(ccc1N)I 34a_100000057187_100015514636 [0,2,0,0,0,0|0,0,0]=2 9623 B12R1.374 C=CCOc1cc(ccc1N)I 7a_100000057187_100015514636 [0,2,0,0,0,0|0,0,0]=2 9624 B12R1.374 C=CCOc1cc(ccc1N)N 34a_100025717382_100015514636 [0,2,0,0,0,0|0,0,0]=2 9625 B12R1.374 C=CCOc1cc(cnc1Br)Cl 34a_100000697010_100015514636 [0,2,0,0,0,0|1,0,0]=3 9626 B12R1.374 C=CCOc1cc(cnc1Br)Cl 7a_100000697010_100015514636 [0,2,0,0,0,0|1,0,0]=3 9627 B12R1.374 C=CCOc1cc(cnc1Br)F 34a_100009820119_100015514636 [0,2,0,0,0,0|1,0,0]=3 9628 B12R1.374 C=CCOc1cc(cnc1Br)F 7a_100009820119_100015514636 [0,2,0,0,0,0|1,0,0]=3 9629 B12R1.374 C=CCOc1cc(cnc1C)Br 34a_100009864810_100015514636 [0,2,0,0,0,0|1,0,0]=3 9630 B12R1.374 C=CCOc1cc(cnc1C)Br 7a_100009864810_100015514636 [0,2,0,0,0,0|1,0,0]=3 9631 B12R1.374 C=CCOc1cc(cnc1Cl)Br 34a_100012354860_100015514636 [0,2,0,0,0,0|1,0,0]=3 9632 B12R1.374 C=CCOc1cc(cnc1Cl)Br 7a_100012354860_100015514636 [0,2,0,0,0,0|1,0,0]=3 9633 B12R1.374 C=CCOc1cc(cnc1Cl)C 34a_100012000487_100015514636 [0,2,0,0,0,0|1,0,0]=3 9634 B12R1.374 C=CCOc1cc(cnc1Cl)C 7a_100012000487_100015514636 [0,2,0,0,0,0|1,0,0]=3 9635 B12R1.374 C=CCOc1cc(cnc1Cl)F 34a_100000079967_100015514636 [0,2,0,0,0,0|1,0,0]=3 9636 B12R1.374 C=CCOc1cc(cnc1Cl)F 7a_100000079967_100015514636 [0,2,0,0,0,0|1,0,0]=3 9637 B12R1.374 C=CCOc1cc(cnc1F)Br 34a_100009819871_100015514636 [0,2,0,0,0,0|1,0,0]=3 9638 B12R1.374 C=CCOc1cc(cnc1F)Br 7a_100009819871_100015514636 [0,2,0,0,0,0|1,0,0]=3 9639 B12R1.374 C=CCOc1cc(cnc1F)C 34a_100009849810_100015514636 [0,2,0,0,0,0|1,0,0]=3 9640 B12R1.374 C=CCOc1cc(cnc1F)C 7a_100009849810_100015514636 [0,2,0,0,0,0|1,0,0]=3 9641 B12R1.374 C=CCOc1cc(cnc1F)Cl 34a_100000094372_100015514636 [0,2,0,0,0,0|1,0,0]=3 9642 B12R1.374 C=CCOc1cc(cnc1F)Cl 7a_100000094372_100015514636 [0,2,0,0,0,0|1,0,0]=3 9643 B12R1.374 C=CCOc1cc(cnc1I)Br 34a_100010210634_100015514636 [0,2,0,0,0,0|1,0,0]=3 9644 B12R1.374 C=CCOc1cc(cnc1I)Br 7a_100010210634_100015514636 [0,2,0,0,0,0|1,0,0]=3 9645 B12R1.374 C=CCOc1cc(cnc1I)Cl 34a_100010233512_100015514636 [0,2,0,0,0,0|1,0,0]=3 9646 B12R1.374 C=CCOc1cc(cnc1I)Cl 7a_100010233512_100015514636 [0,2,0,0,0,0|1,0,0]=3 9647 B12R1.374 C=CCOc1cc(cnc1I)F 34a_100015624800_100015514636 [0,2,0,0,0,0|1,0,0]=3 9648 B12R1.374 C=CCOc1cc(cnc1I)F 7a_100015624800_100015514636 [0,2,0,0,0,0|1,0,0]=3 9649 B12R1.374 C=CCOc1cc(cnc1N)Br 34a_100009819042_100015514636 [0,2,0,0,0,0|1,0,0]=3 9650 B12R1.374 C=CCOc1cc(cnc1N)Br 7a_100009819042_100015514636 [0,2,0,0,0,0|1,0,0]=3 9651 B12R1.374 C=CCOc1cc(cnc1N)Cl 34a_100000123674_100015514636 [0,2,0,0,0,0|1,0,0]=3 9652 B12R1.374 C=CCOc1cc(cnc1N)Cl 7a_100000123674_100015514636 [0,2,0,0,0,0|1,0,0]=3 9653 B12R1.374 C=CCOc1cc(cnc1N)F 34a_100000094369_100015514636 [0,2,0,0,0,0|1,0,0]=3 9654 B12R1.374 C=CCOc1cc(cnc1N)F 7a_100000094369_100015514636 [0,2,0,0,0,0|1,0,0]=3 9655 B12R1.374 C=CCOc1cc(ncc1Br)Br 34a_100010235016_100015514636 [0,2,0,0,0,0|1,0,0]=3 9656 B12R1.374 C=CCOc1cc(ncc1Br)C 34a_100011016184_100015514636 [0,2,0,0,0,0|1,0,0]=3 9657 B12R1.374 C=CCOc1cc(ncc1Br)Cl 34a_100010173860_100015514636 [0,2,0,0,0,0|1,0,0]=3 9658 B12R1.374 C=CCOc1cc(ncc1C)Br 34a_100000704368_100015514636 [0,2,0,0,0,0|1,0,0]=3 9659 B12R1.374 C=CCOc1cc(ncc1C)Br 7a_100000704368_100015514636 [0,2,0,0,0,0|1,0,0]=3 9660 B12R1.374 C=CCOc1cc(ncc1Cl)Br 34a_100010173861_100015514636 [0,2,0,0,0,0|1,0,0]=3 9661 B12R1.374 C=CCOc1cc(ncc1F)Br 34a_100009854642_100015514636 [0,2,0,0,0,0|1,0,0]=3 9662 B12R1.374 C=CCOc1cc(ncc1F)Cl 34a_100009851168_100015514636 [0,2,0,0,0,0|1,0,0]=3 9663 B12R1.374 C=CCOc1cc(nnc1Cl)Cl 34a_100011997201_100015514636 [0,2,0,0,0,0|2,0,0]=4 9664 B12R1.374 C=CCOc1nc(ccc1Br)C 34a_100009817604_100015514636 [0,2,0,0,0,0|1,0,0]=3 9665 B12R1.374 C=CCOc1nc(ccc1F)Cl 34a_100010729010_100015514636 [0,2,0,0,0,0|1,0,0]=3 9666 B12R1.374 C=CCOc1nc(ccc1N)C 34a_100000687486_100015514636 [0,2,0,0,0,0|1,0,0]=3 9667 B12R1.374 C=CCOc1nc(ncc1F)Cl 34a_100011995740_100015514636 [0,2,0,0,0,0|2,0,0]=4 9668 B12R1.374 C=CCSc1cc(=O)[nH]cc1F 62a_100000210623_100009817642 [0,2,0,0,0,0|1,1,0]=4 9669 B12R1.374 C=CCSc1cc(=O)[nH]cc1F 62a_100009817642_100000210623 [0,2,0,0,0,0|1,1,0]=4 9670 B12R1.374 C=CCSc1cc(c[nH]c1=O)F 62a_100000210623_100009817720 [0,2,0,0,0,0|1,1,0]=4 9671 B12R1.374 C=CCSc1cc(c[nH]c1=O)F 62a_100009817720_100000210623 [0,2,0,0,0,0|1,1,0]=4 9672 B12R1.374 C=CCSc1cc(ccc1Br)Br 62a_100000210623_100011483371 [0,2,0,0,0,0|0,1,0]=3 9673 B12R1.374 C=CCSc1cc(ccc1Br)Br 62a_100011483371_100000210623 [0,2,0,0,0,0|0,1,0]=3 9674 B12R1.374 C=CCSc1cc(ccc1Br)C 62a_100000210623_100012353751 [0,2,0,0,0,0|0,1,0]=3 9675 B12R1.374 C=CCSc1cc(ccc1Br)C 62a_100012353751_100000210623 [0,2,0,0,0,0|0,1,0]=3 9676 B12R1.374 C=CCSc1cc(ccc1Br)Cl 62a_100000210623_100012339723 [0,2,0,0,0,0|0,1,0]=3 9677 B12R1.374 C=CCSc1cc(ccc1Br)Cl 62a_100012339723_100000210623 [0,2,0,0,0,0|0,1,0]=3 9678 B12R1.374 C=CCSc1cc(ccc1Br)F 62a_100000210623_100011217576 [0,2,0,0,0,0|0,1,0]=3 9679 B12R1.374 C=CCSc1cc(ccc1Br)F 62a_100011217576_100000210623 [0,2,0,0,0,0|0,1,0]=3 9680 B12R1.374 C=CCSc1cc(ccc1Br)N 62a_100000210623_100000750459 [0,2,0,0,0,0|0,1,0]=3 9681 B12R1.374 C=CCSc1cc(ccc1Br)N 62a_100000750459_100000210623 [0,2,0,0,0,0|0,1,0]=3 9682 B12R1.374 C=CCSc1cc(ccc1Br)O 62a_100000210623_100012339312 [0,2,0,0,0,0|0,1,0]=3 9683 B12R1.374 C=CCSc1cc(ccc1Br)O 62a_100012339312_100000210623 [0,2,0,0,0,0|0,1,0]=3 9684 B12R1.374 C=CCSc1cc(ccc1C)Br 62a_100000210623_100011344865 [0,2,0,0,0,0|0,1,0]=3 9685 B12R1.374 C=CCSc1cc(ccc1C)Br 62a_100011344865_100000210623 [0,2,0,0,0,0|0,1,0]=3 9686 B12R1.374 C=CCSc1cc(ccc1C)C 62a_100000210623_100000210833 [0,2,0,0,0,0|0,1,0]=3 9687 B12R1.374 C=CCSc1cc(ccc1C)C 62a_100000210833_100000210623 [0,2,0,0,0,0|0,1,0]=3 9688 B12R1.374 C=CCSc1cc(ccc1C)Cl 62a_100000210623_100011263213 [0,2,0,0,0,0|0,1,0]=3 9689 B12R1.374 C=CCSc1cc(ccc1C)Cl 62a_100011263213_100000210623 [0,2,0,0,0,0|0,1,0]=3 9690 B12R1.374 C=CCSc1cc(ccc1C)F 62a_100000210623_100011218078 [0,2,0,0,0,0|0,1,0]=3 9691 B12R1.374 C=CCSc1cc(ccc1C)F 62a_100011218078_100000210623 [0,2,0,0,0,0|0,1,0]=3 9692 B12R1.374 C=CCSc1cc(ccc1C)N 62a_100000210623_100000736455 [0,2,0,0,0,0|0,1,0]=3 9693 B12R1.374 C=CCSc1cc(ccc1C)N 62a_100000736455_100000210623 [0,2,0,0,0,0|0,1,0]=3 9694 B12R1.374 C=CCSc1cc(ccc1C)O 62a_100000210623_100011380479 [0,2,0,0,0,0|0,1,0]=3 9695 B12R1.374 C=CCSc1cc(ccc1C)O 62a_100011380479_100000210623 [0,2,0,0,0,0|0,1,0]=3 9696 B12R1.374 C=CCSc1cc(ccc1Cl)Br 62a_100000210623_100011772130 [0,2,0,0,0,0|0,1,0]=3 9697 B12R1.374 C=CCSc1cc(ccc1Cl)Br 62a_100011772130_100000210623 [0,2,0,0,0,0|0,1,0]=3 9698 B12R1.374 C=CCSc1cc(ccc1Cl)C 62a_100000210623_100012356289 [0,2,0,0,0,0|0,1,0]=3 9699 B12R1.374 C=CCSc1cc(ccc1Cl)C 62a_100012356289_100000210623 [0,2,0,0,0,0|0,1,0]=3 9700 B12R1.374 C=CCSc1cc(ccc1Cl)Cl 62a_100000210623_100000707729 [0,2,0,0,0,0|0,1,0]=3 9701 B12R1.374 C=CCSc1cc(ccc1Cl)Cl 62a_100000707729_100000210623 [0,2,0,0,0,0|0,1,0]=3 9702 B12R1.374 C=CCSc1cc(ccc1Cl)F 62a_100000210623_100011217299 [0,2,0,0,0,0|0,1,0]=3 9703 B12R1.374 C=CCSc1cc(ccc1Cl)F 62a_100011217299_100000210623 [0,2,0,0,0,0|0,1,0]=3 9704 B12R1.374 C=CCSc1cc(ccc1Cl)N 62a_100000210623_100012360549 [0,2,0,0,0,0|0,1,0]=3 9705 B12R1.374 C=CCSc1cc(ccc1Cl)N 62a_100012360549_100000210623 [0,2,0,0,0,0|0,1,0]=3 9706 B12R1.374 C=CCSc1cc(ccc1Cl)O 62a_100000049588_100000210623 [0,2,0,0,0,0|0,1,0]=3 9707 B12R1.374 C=CCSc1cc(ccc1Cl)O 62a_100000210623_100000049588 [0,2,0,0,0,0|0,1,0]=3 9708 B12R1.374 C=CCSc1cc(ccc1F)Br 62a_100000210623_100011217312 [0,2,0,0,0,0|0,1,0]=3 9709 B12R1.374 C=CCSc1cc(ccc1F)Br 62a_100011217312_100000210623 [0,2,0,0,0,0|0,1,0]=3 9710 B12R1.374 C=CCSc1cc(ccc1F)C 62a_100000210623_100000736223 [0,2,0,0,0,0|0,1,0]=3 9711 B12R1.374 C=CCSc1cc(ccc1F)C 62a_100000736223_100000210623 [0,2,0,0,0,0|0,1,0]=3 9712 B12R1.374 C=CCSc1cc(ccc1F)Cl 62a_100000210623_100011218116 [0,2,0,0,0,0|0,1,0]=3 9713 B12R1.374 C=CCSc1cc(ccc1F)Cl 62a_100011218116_100000210623 [0,2,0,0,0,0|0,1,0]=3 9714 B12R1.374 C=CCSc1cc(ccc1F)F 62a_100000210623_100011219198 [0,2,0,0,0,0|0,1,0]=3 9715 B12R1.374 C=CCSc1cc(ccc1F)F 62a_100011219198_100000210623 [0,2,0,0,0,0|0,1,0]=3 9716 B12R1.374 C=CCSc1cc(ccc1F)N 62a_100000210623_100000760356 [0,2,0,0,0,0|0,1,0]=3 9717 B12R1.374 C=CCSc1cc(ccc1F)N 62a_100000760356_100000210623 [0,2,0,0,0,0|0,1,0]=3 9718 B12R1.374 C=CCSc1cc(ccc1F)O 62a_100000210623_100000693481 [0,2,0,0,0,0|0,1,0]=3 9719 B12R1.374 C=CCSc1cc(ccc1F)O 62a_100000693481_100000210623 [0,2,0,0,0,0|0,1,0]=3 9720 B12R1.374 C=CCSc1cc(ccc1N)Br 62a_100000187925_100000210623 [0,2,0,0,0,0|0,1,0]=3 9721 B12R1.374 C=CCSc1cc(ccc1N)Br 62a_100000210623_100000187925 [0,2,0,0,0,0|0,1,0]=3 9722 B12R1.374 C=CCSc1cc(ccc1N)C 62a_100000210623_100011356834 [0,2,0,0,0,0|0,1,0]=3 9723 B12R1.374 C=CCSc1cc(ccc1N)C 62a_100011356834_100000210623 [0,2,0,0,0,0|0,1,0]=3 9724 B12R1.374 C=CCSc1cc(ccc1N)Cl 62a_100000210623_100000761889 [0,2,0,0,0,0|0,1,0]=3 9725 B12R1.374 C=CCSc1cc(ccc1N)Cl 62a_100000761889_100000210623 [0,2,0,0,0,0|0,1,0]=3 9726 B12R1.374 C=CCSc1cc(ccc1N)F 62a_100000210623_100000760547 [0,2,0,0,0,0|0,1,0]=3 9727 B12R1.374 C=CCSc1cc(ccc1N)F 62a_100000760547_100000210623 [0,2,0,0,0,0|0,1,0]=3 9728 B12R1.374 C=CCSc1cc(ccc1N)N 62a_100000210623_100011534242 [0,2,0,0,0,0|0,1,0]=3 9729 B12R1.374 C=CCSc1cc(ccc1N)N 62a_100011534242_100000210623 [0,2,0,0,0,0|0,1,0]=3 9730 B12R1.374 C=CCSc1cc(ccc1N)O 62a_100000210623_100012001276 [0,2,0,0,0,0|0,1,0]=3 9731 B12R1.374 C=CCSc1cc(ccc1N)O 62a_100012001276_100000210623 [0,2,0,0,0,0|0,1,0]=3 9732 B12R1.374 C=CCSc1cc(ccc1O)Br 62a_100000210623_100012355227 [0,2,0,0,0,0|0,1,0]=3 9733 B12R1.374 C=CCSc1cc(ccc1O)Br 62a_100012355227_100000210623 [0,2,0,0,0,0|0,1,0]=3 9734 B12R1.374 C=CCSc1cc(ccc1O)C 62a_100000210623_100000765521 [0,2,0,0,0,0|0,1,0]=3 9735 B12R1.374 C=CCSc1cc(ccc1O)C 62a_100000765521_100000210623 [0,2,0,0,0,0|0,1,0]=3 9736 B12R1.374 C=CCSc1cc(ccc1O)Cl 62a_100000210623_100011356953 [0,2,0,0,0,0|0,1,0]=3 9737 B12R1.374 C=CCSc1cc(ccc1O)Cl 62a_100011356953_100000210623 [0,2,0,0,0,0|0,1,0]=3 9738 B12R1.374 C=CCSc1cc(ccc1O)F 62a_100000210623_100000211999 [0,2,0,0,0,0|0,1,0]=3 9739 B12R1.374 C=CCSc1cc(ccc1O)F 62a_100000211999_100000210623 [0,2,0,0,0,0|0,1,0]=3 9740 B12R1.374 C=CCSc1cc(ccc1O)N 62a_100000210623_100011534360 [0,2,0,0,0,0|0,1,0]=3 9741 B12R1.374 C=CCSc1cc(ccc1O)N 62a_100011534360_100000210623 [0,2,0,0,0,0|0,1,0]=3 9742 B12R1.374 C=CCSc1cc(ccc1O)O 62a_100000210623_100009813629 [0,2,0,0,0,0|0,1,0]=3 9743 B12R1.374 C=CCSc1cc(cnc1Br)N 62a_100000210623_100010201102 [0,2,0,0,0,0|1,1,0]=4 9744 B12R1.374 C=CCSc1cc(cnc1Br)N 62a_100010201102_100000210623 [0,2,0,0,0,0|1,1,0]=4 9745 B12R1.374 C=CCSc1cc(cnc1C)Br 62a_100000210623_200010090566 [0,2,0,0,0,0|1,1,0]=4 9746 B12R1.374 C=CCSc1cc(cnc1C)Br 62a_200010090566_100000210623 [0,2,0,0,0,0|1,1,0]=4 9747 B12R1.374 C=CCSc1cc(cnc1C)C 62a_100000210623_100009817436 [0,2,0,0,0,0|1,1,0]=4 9748 B12R1.374 C=CCSc1cc(cnc1C)C 62a_100009817436_100000210623 [0,2,0,0,0,0|1,1,0]=4 9749 B12R1.374 C=CCSc1cc(cnc1C)F 62a_100000210623_100009860710 [0,2,0,0,0,0|1,1,0]=4 9750 B12R1.374 C=CCSc1cc(cnc1C)F 62a_100009860710_100000210623 [0,2,0,0,0,0|1,1,0]=4 9751 B12R1.374 C=CCSc1cc(cnc1C)N 62a_100000210623_100011998591 [0,2,0,0,0,0|1,1,0]=4 9752 B12R1.374 C=CCSc1cc(cnc1C)N 62a_100011998591_100000210623 [0,2,0,0,0,0|1,1,0]=4 9753 B12R1.374 C=CCSc1cc(cnc1C)O 62a_100000210623_100009819603 [0,2,0,0,0,0|1,1,0]=4 9754 B12R1.374 C=CCSc1cc(cnc1C)O 62a_100009819603_100000210623 [0,2,0,0,0,0|1,1,0]=4 9755 B12R1.374 C=CCSc1cc(cnc1Cl)Br 62a_100000210623_100009814771 [0,2,0,0,0,0|1,1,0]=4 9756 B12R1.374 C=CCSc1cc(cnc1Cl)Br 62a_100009814771_100000210623 [0,2,0,0,0,0|1,1,0]=4 9757 B12R1.374 C=CCSc1cc(cnc1Cl)C 62a_100000210623_100010210167 [0,2,0,0,0,0|1,1,0]=4 9758 B12R1.374 C=CCSc1cc(cnc1Cl)C 62a_100010210167_100000210623 [0,2,0,0,0,0|1,1,0]=4 9759 B12R1.374 C=CCSc1cc(cnc1Cl)Cl 62a_100000210623_200000062399 [0,2,0,0,0,0|1,1,0]=4 9760 B12R1.374 C=CCSc1cc(cnc1Cl)Cl 62a_200000062399_100000210623 [0,2,0,0,0,0|1,1,0]=4 9761 B12R1.374 C=CCSc1cc(cnc1Cl)N 62a_100000210623_100010253917 [0,2,0,0,0,0|1,1,0]=4 9762 B12R1.374 C=CCSc1cc(cnc1Cl)N 62a_100010253917_100000210623 [0,2,0,0,0,0|1,1,0]=4 9763 B12R1.374 C=CCSc1cc(cnc1F)Br 62a_100000210623_100010172738 [0,2,0,0,0,0|1,1,0]=4 9764 B12R1.374 C=CCSc1cc(cnc1F)Br 62a_100010172738_100000210623 [0,2,0,0,0,0|1,1,0]=4 9765 B12R1.374 C=CCSc1cc(cnc1F)C 62a_100000049784_100000210623 [0,2,0,0,0,0|1,1,0]=4 9766 B12R1.374 C=CCSc1cc(cnc1F)C 62a_100000210623_100000049784 [0,2,0,0,0,0|1,1,0]=4 9767 B12R1.374 C=CCSc1cc(cnc1F)Cl 62a_100000210623_100010188783 [0,2,0,0,0,0|1,1,0]=4 9768 B12R1.374 C=CCSc1cc(cnc1F)Cl 62a_100010188783_100000210623 [0,2,0,0,0,0|1,1,0]=4 9769 B12R1.374 C=CCSc1cc(cnc1F)F 62a_100000210623_100009820768 [0,2,0,0,0,0|1,1,0]=4 9770 B12R1.374 C=CCSc1cc(cnc1F)F 62a_100009820768_100000210623 [0,2,0,0,0,0|1,1,0]=4 9771 B12R1.374 C=CCSc1cc(cnc1F)N 62a_100000210623_100009840397 [0,2,0,0,0,0|1,1,0]=4 9772 B12R1.374 C=CCSc1cc(cnc1F)N 62a_100009840397_100000210623 [0,2,0,0,0,0|1,1,0]=4 9773 B12R1.374 C=CCSc1cc(cnc1F)O 62a_100000210623_100009817267 [0,2,0,0,0,0|1,1,0]=4 9774 B12R1.374 C=CCSc1cc(cnc1F)O 62a_100009817267_100000210623 [0,2,0,0,0,0|1,1,0]=4 9775 B12R1.374 C=CCSc1cc(cnc1N)Br 62a_100000210623_100000760472 [0,2,0,0,0,0|1,1,0]=4 9776 B12R1.374 C=CCSc1cc(cnc1N)Br 62a_100000760472_100000210623 [0,2,0,0,0,0|1,1,0]=4 9777 B12R1.374 C=CCSc1cc(cnc1N)C 62a_100000049664_100000210623 [0,2,0,0,0,0|1,1,0]=4 9778 B12R1.374 C=CCSc1cc(cnc1N)C 62a_100000210623_100000049664 [0,2,0,0,0,0|1,1,0]=4 9779 B12R1.374 C=CCSc1cc(cnc1N)Cl 62a_100000050159_100000210623 [0,2,0,0,0,0|1,1,0]=4 9780 B12R1.374 C=CCSc1cc(cnc1N)Cl 62a_100000210623_100000050159 [0,2,0,0,0,0|1,1,0]=4 9781 B12R1.374 C=CCSc1cc(cnc1N)F 62a_100000210623_100009814671 [0,2,0,0,0,0|1,1,0]=4 9782 B12R1.374 C=CCSc1cc(cnc1N)F 62a_100009814671_100000210623 [0,2,0,0,0,0|1,1,0]=4 9783 B12R1.374 C=CCSc1cc(cnc1N)N 62a_100000210623_200011934315 [0,2,0,0,0,0|1,1,0]=4 9784 B12R1.374 C=CCSc1cc(cnc1N)N 62a_200011934315_100000210623 [0,2,0,0,0,0|1,1,0]=4 9785 B12R1.374 C=CCSc1cc(cnc1O)Br 62a_100000210623_100010197142 [0,2,0,0,0,0|1,1,0]=4 9786 B12R1.374 C=CCSc1cc(cnc1O)Br 62a_100010197142_100000210623 [0,2,0,0,0,0|1,1,0]=4 9787 B12R1.374 C=CCSc1cc(cnc1O)C 62a_100000210623_100000719714 [0,2,0,0,0,0|1,1,0]=4 9788 B12R1.374 C=CCSc1cc(cnc1O)C 62a_100000719714_100000210623 [0,2,0,0,0,0|1,1,0]=4 9789 B12R1.374 C=CCSc1cc(cnc1O)Cl 62a_100000210623_100010188700 [0,2,0,0,0,0|1,1,0]=4 9790 B12R1.374 C=CCSc1cc(cnc1O)Cl 62a_100010188700_100000210623 [0,2,0,0,0,0|1,1,0]=4 9791 B12R1.374 C=CCSc1cc(ncc1Br)Br 62a_100000210623_100010171693 [0,2,0,0,0,0|1,1,0]=4 9792 B12R1.374 C=CCSc1cc(ncc1Br)Br 62a_100010171693_100000210623 [0,2,0,0,0,0|1,1,0]=4 9793 B12R1.374 C=CCSc1cc(ncc1Br)Cl 62a_100000210623_100009815598 [0,2,0,0,0,0|1,1,0]=4 9794 B12R1.374 C=CCSc1cc(ncc1Br)Cl 62a_100009815598_100000210623 [0,2,0,0,0,0|1,1,0]=4 9795 B12R1.374 C=CCSc1cc(ncc1C)Br 62a_100000210623_100010067628 [0,2,0,0,0,0|1,1,0]=4 9796 B12R1.374 C=CCSc1cc(ncc1C)Br 62a_100010067628_100000210623 [0,2,0,0,0,0|1,1,0]=4 9797 B12R1.374 C=CCSc1cc(ncc1C)C 62a_100000210623_100009862788 [0,2,0,0,0,0|1,1,0]=4 9798 B12R1.374 C=CCSc1cc(ncc1C)C 62a_100009862788_100000210623 [0,2,0,0,0,0|1,1,0]=4 9799 B12R1.374 C=CCSc1cc(ncc1C)Cl 62a_100000210623_100010068021 [0,2,0,0,0,0|1,1,0]=4 9800 B12R1.374 C=CCSc1cc(ncc1C)Cl 62a_100010068021_100000210623 [0,2,0,0,0,0|1,1,0]=4 9801 B12R1.374 C=CCSc1cc(ncc1C)F 62a_100000049870_100000210623 [0,2,0,0,0,0|1,1,0]=4 9802 B12R1.374 C=CCSc1cc(ncc1C)F 62a_100000210623_100000049870 [0,2,0,0,0,0|1,1,0]=4 9803 B12R1.374 C=CCSc1cc(ncc1C)N 62a_100000210623_100009819938 [0,2,0,0,0,0|1,1,0]=4 9804 B12R1.374 C=CCSc1cc(ncc1C)N 62a_100009819938_100000210623 [0,2,0,0,0,0|1,1,0]=4 9805 B12R1.374 C=CCSc1cc(ncc1C)O 62a_100000210623_100009831917 [0,2,0,0,0,0|1,1,0]=4 9806 B12R1.374 C=CCSc1cc(ncc1C)O 62a_100009831917_100000210623 [0,2,0,0,0,0|1,1,0]=4 9807 B12R1.374 C=CCSc1cc(ncc1Cl)Br 62a_100000210623_100010223331 [0,2,0,0,0,0|1,1,0]=4 9808 B12R1.374 C=CCSc1cc(ncc1Cl)Br 62a_100010223331_100000210623 [0,2,0,0,0,0|1,1,0]=4 9809 B12R1.374 C=CCSc1cc(ncc1Cl)Cl 62a_100000210623_100010172835 [0,2,0,0,0,0|1,1,0]=4 9810 B12R1.374 C=CCSc1cc(ncc1Cl)Cl 62a_100010172835_100000210623 [0,2,0,0,0,0|1,1,0]=4 9811 B12R1.374 C=CCSc1cc(ncc1Cl)F 62a_100000210623_100009892587 [0,2,0,0,0,0|1,1,0]=4 9812 B12R1.374 C=CCSc1cc(ncc1Cl)F 62a_100009892587_100000210623 [0,2,0,0,0,0|1,1,0]=4 9813 B12R1.374 C=CCSc1cc(ncc1Cl)N 62a_100000210623_100010134119 [0,2,0,0,0,0|1,1,0]=4 9814 B12R1.374 C=CCSc1cc(ncc1Cl)N 62a_100010134119_100000210623 [0,2,0,0,0,0|1,1,0]=4 9815 B12R1.374 C=CCSc1cc(ncc1F)Br 62a_100000210623_100010193852 [0,2,0,0,0,0|1,1,0]=4 9816 B12R1.374 C=CCSc1cc(ncc1F)Br 62a_100010193852_100000210623 [0,2,0,0,0,0|1,1,0]=4 9817 B12R1.374 C=CCSc1cc(ncc1F)C 62a_100000210623_100009867690 [0,2,0,0,0,0|1,1,0]=4 9818 B12R1.374 C=CCSc1cc(ncc1F)C 62a_100009867690_100000210623 [0,2,0,0,0,0|1,1,0]=4 9819 B12R1.374 C=CCSc1cc(ncc1F)Cl 62a_100000210623_100000708277 [0,2,0,0,0,0|1,1,0]=4 9820 B12R1.374 C=CCSc1cc(ncc1F)Cl 62a_100000708277_100000210623 [0,2,0,0,0,0|1,1,0]=4 9821 B12R1.374 C=CCSc1cc(ncc1F)F 62a_100000210623_100010233071 [0,2,0,0,0,0|1,1,0]=4 9822 B12R1.374 C=CCSc1cc(ncc1F)F 62a_100010233071_100000210623 [0,2,0,0,0,0|1,1,0]=4 9823 B12R1.374 C=CCSc1cc(ncc1F)N 62a_100000210623_100015713587 [0,2,0,0,0,0|1,1,0]=4 9824 B12R1.374 C=CCSc1cc(ncc1F)N 62a_100015713587_100000210623 [0,2,0,0,0,0|1,1,0]=4 9825 B12R1.374 C=CCSc1cc(ncc1N)Cl 62a_100000050123_100000210623 [0,2,0,0,0,0|1,1,0]=4 9826 B12R1.374 C=CCSc1cc(ncc1N)Cl 62a_100000210623_100000050123 [0,2,0,0,0,0|1,1,0]=4 9827 B12R1.374 C=CCSc1cc(ncc1O)C 62a_100000210623_100009843476 [0,2,0,0,0,0|1,1,0]=4 9828 B12R1.374 C=CCSc1cc(ncc1O)C 62a_100009843476_100000210623 [0,2,0,0,0,0|1,1,0]=4 9829 B12R1.374 C=CCSc1cc(ncc1O)Cl 62a_100000210623_100000698892 [0,2,0,0,0,0|1,1,0]=4 9830 B12R1.374 C=CCSc1cc(ncc1O)Cl 62a_100000698892_100000210623 [0,2,0,0,0,0|1,1,0]=4 9831 B12R1.374 C=CCSc1cn(ccc1=O)C 62a_100000210623_100010750718 [0,2,0,0,0,0|1,1,0]=4 9832 B12R1.374 C=CCSc1cn(ccc1=O)C 62a_100010750718_100000210623 [0,2,0,0,0,0|1,1,0]=4 9833 B12R1.374 C=CCSc1nc(ccc1Br)N 62a_100000210623_100010192275 [0,2,0,0,0,0|1,1,0]=4 9834 B12R1.374 C=CCSc1nc(ccc1Br)N 62a_100010192275_100000210623 [0,2,0,0,0,0|1,1,0]=4 9835 B12R1.374 C=CCSc1nc(ccc1C)C 62a_100000210623_100009854376 [0,2,0,0,0,0|1,1,0]=4 9836 B12R1.374 C=CCSc1nc(ccc1C)C 62a_100009854376_100000210623 [0,2,0,0,0,0|1,1,0]=4 9837 B12R1.374 C=CCSc1nc(ccc1C)N 62a_100000126722_100000210623 [0,2,0,0,0,0|1,1,0]=4 9838 B12R1.374 C=CCSc1nc(ccc1C)N 62a_100000210623_100000126722 [0,2,0,0,0,0|1,1,0]=4 9839 B12R1.374 C=CCSc1nc(ccc1F)C 62a_100000210623_100009817602 [0,2,0,0,0,0|1,1,0]=4 9840 B12R1.374 C=CCSc1nc(ccc1F)C 62a_100009817602_100000210623 [0,2,0,0,0,0|1,1,0]=4 9841 B12R1.374 C=CCSc1nc(ccc1F)Cl 62a_100000210623_100010136221 [0,2,0,0,0,0|1,1,0]=4 9842 B12R1.374 C=CCSc1nc(ccc1F)Cl 62a_100010136221_100000210623 [0,2,0,0,0,0|1,1,0]=4 9843 B12R1.374 C=CCSc1nc(ccc1F)F 62a_100000210623_100010997973 [0,2,0,0,0,0|1,1,0]=4 9844 B12R1.374 C=CCSc1nc(ccc1F)F 62a_100010997973_100000210623 [0,2,0,0,0,0|1,1,0]=4 9845 B12R1.374 C=CCSc1nc(ccc1F)N 62a_100000210623_100010892222 [0,2,0,0,0,0|1,1,0]=4 9846 B12R1.374 C=CCSc1nc(ccc1F)N 62a_100010892222_100000210623 [0,2,0,0,0,0|1,1,0]=4 9847 B12R1.374 C=CCSc1nc(ccc1N)Br 62a_100000210623_100010168765 [0,2,0,0,0,0|1,1,0]=4 9848 B12R1.374 C=CCSc1nc(ccc1N)Br 62a_100010168765_100000210623 [0,2,0,0,0,0|1,1,0]=4 9849 B12R1.374 C=CCSc1nc(ccc1N)C 62a_100000210623_100000685570 [0,2,0,0,0,0|1,1,0]=4 9850 B12R1.374 C=CCSc1nc(ccc1N)C 62a_100000685570_100000210623 [0,2,0,0,0,0|1,1,0]=4 9851 B12R1.374 C=CCSc1nc(ccc1N)Cl 62a_100000210623_100010233647 [0,2,0,0,0,0|1,1,0]=4 9852 B12R1.374 C=CCSc1nc(ccc1N)Cl 62a_100010233647_100000210623 [0,2,0,0,0,0|1,1,0]=4 9853 B12R1.374 C=CCSc1nc(ccc1N)F 62a_100000210623_100009879877 [0,2,0,0,0,0|1,1,0]=4 9854 B12R1.374 C=CCSc1nc(ccc1N)F 62a_100009879877_100000210623 [0,2,0,0,0,0|1,1,0]=4 9855 B12R1.374 C=CCSc1nc(ccc1N)N 62a_100000210623_200009884323 [0,2,0,0,0,0|1,1,0]=4 9856 B12R1.374 C=CCSc1nc(ccc1N)N 62a_200009884323_100000210623 [0,2,0,0,0,0|1,1,0]=4 9857 B12R1.374 C=CCSc1nc(ccc1O)Br 62a_100000210623_100010253912 [0,2,0,0,0,0|1,1,0]=4 9858 B12R1.374 C=CCSc1nc(ccc1O)Br 62a_100010253912_100000210623 [0,2,0,0,0,0|1,1,0]=4 9859 B12R1.374 C=CCSc1nc(ccc1O)C 62a_100000210623_100000702858 [0,2,0,0,0,0|1,1,0]=4 9860 B12R1.374 C=CCSc1nc(ccc1O)C 62a_100000702858_100000210623 [0,2,0,0,0,0|1,1,0]=4 9861 B12R1.374 C=CCSc1nc(ccc1O)Cl 62a_100000210623_100000696390 [0,2,0,0,0,0|1,1,0]=4 9862 B12R1.374 C=CCSc1nc(ccc1O)F 62a_100000210623_100010382442 [0,2,0,0,0,0|1,1,0]=4 9863 B12R1.374 C=CCSc1nc(ccc1O)F 62a_100010382442_100000210623 [0,2,0,0,0,0|1,1,0]=4 9864 B12R1.374 CCCOc1cc(ccc1Br)Br 34a_100011220040_100000210303 [0,2,0,0,0,0|0,0,2]=4 9865 B12R1.374 CCCOc1cc(ccc1Br)Br 7a_100011220040_100000210303 [0,2,0,0,0,0|0,0,2]=4 9866 B12R1.374 CCCOc1cc(ccc1Br)C 34a_100012002257_100000210303 [0,2,0,0,0,0|0,0,2]=4 9867 B12R1.374 CCCOc1cc(ccc1Br)C 7a_100012002257_100000210303 [0,2,0,0,0,0|0,0,2]=4 9868 B12R1.374 CCCOc1cc(ccc1Br)Cl 34a_100012339455_100000210303 [0,2,0,0,0,0|0,0,2]=4 9869 B12R1.374 CCCOc1cc(ccc1Br)Cl 7a_100012339455_100000210303 [0,2,0,0,0,0|0,0,2]=4 9870 B12R1.374 CCCOc1cc(ccc1Br)F 34a_100000690578_100000210303 [0,2,0,0,0,0|0,0,2]=4 9871 B12R1.374 CCCOc1cc(ccc1Br)F 7a_100000690578_100000210303 [0,2,0,0,0,0|0,0,2]=4 9872 B12R1.374 CCCOc1cc(ccc1Br)I 34a_100012356990_100000210303 [0,2,0,0,0,0|0,0,2]=4 9873 B12R1.374 CCCOc1cc(ccc1Br)I 7a_100012356990_100000210303 [0,2,0,0,0,0|0,0,2]=4 9874 B12R1.374 CCCOc1cc(ccc1C)Br 34a_100000685420_100000210303 [0,2,0,0,0,0|0,0,2]=4 9875 B12R1.374 CCCOc1cc(ccc1C)Br 7a_100000685420_100000210303 [0,2,0,0,0,0|0,0,2]=4 9876 B12R1.374 CCCOc1cc(ccc1C)C 34a_100000210931_100000210303 [0,2,0,0,0,0|0,0,2]=4 9877 B12R1.374 CCCOc1cc(ccc1C)C 7a_100000210931_100000210303 [0,2,0,0,0,0|0,0,2]=4 9878 B12R1.374 CCCOc1cc(ccc1C)Cl 34a_100000756515_100000210303 [0,2,0,0,0,0|0,0,2]=4 9879 B12R1.374 CCCOc1cc(ccc1C)Cl 7a_100000756515_100000210303 [0,2,0,0,0,0|0,0,2]=4 9880 B12R1.374 CCCOc1cc(ccc1C)F 34a_100000690566_100000210303 [0,2,0,0,0,0|0,0,2]=4 9881 B12R1.374 CCCOc1cc(ccc1C)F 7a_100000690566_100000210303 [0,2,0,0,0,0|0,0,2]=4 9882 B12R1.374 CCCOc1cc(ccc1C)I 7a_100000766334_100000210303 [0,2,0,0,0,0|0,0,2]=4 9883 B12R1.374 CCCOc1cc(ccc1C)N 34a_100000759471_100000210303 [0,2,0,0,0,0|0,0,2]=4 9884 B12R1.374 CCCOc1cc(ccc1C)N 7a_100000759471_100000210303 [0,2,0,0,0,0|0,0,2]=4 9885 B12R1.374 CCCOc1cc(ccc1Cl)Br 34a_100000738945_100000210303 [0,2,0,0,0,0|0,0,2]=4 9886 B12R1.374 CCCOc1cc(ccc1Cl)Br 7a_100000738945_100000210303 [0,2,0,0,0,0|0,0,2]=4 9887 B12R1.374 CCCOc1cc(ccc1Cl)C 34a_100000211493_100000210303 [0,2,0,0,0,0|0,0,2]=4 9888 B12R1.374 CCCOc1cc(ccc1Cl)C 7a_100000211493_100000210303 [0,2,0,0,0,0|0,0,2]=4 9889 B12R1.374 CCCOc1cc(ccc1Cl)Cl 34a_100000211422_100000210303 [0,2,0,0,0,0|0,0,2]=4 9890 B12R1.374 CCCOc1cc(ccc1Cl)Cl 7a_100000211422_100000210303 [0,2,0,0,0,0|0,0,2]=4 9891 B12R1.374 CCCOc1cc(ccc1Cl)F 34a_100000692107_100000210303 [0,2,0,0,0,0|0,0,2]=4 9892 B12R1.374 CCCOc1cc(ccc1Cl)F 7a_100000692107_100000210303 [0,2,0,0,0,0|0,0,2]=4 9893 B12R1.374 CCCOc1cc(ccc1Cl)I 34a_100011356854_100000210303 [0,2,0,0,0,0|0,0,2]=4 9894 B12R1.374 CCCOc1cc(ccc1Cl)I 7a_100011356854_100000210303 [0,2,0,0,0,0|0,0,2]=4 9895 B12R1.374 CCCOc1cc(ccc1Cl)N 34a_100011934209_100000210303 [0,2,0,0,0,0|0,0,2]=4 9896 B12R1.374 CCCOc1cc(ccc1F)Br 34a_100000686035_100000210303 [0,2,0,0,0,0|0,0,2]=4 9897 B12R1.374 CCCOc1cc(ccc1F)Br 7a_100000686035_100000210303 [0,2,0,0,0,0|0,0,2]=4 9898 B12R1.374 CCCOc1cc(ccc1F)C 34a_100000759540_100000210303 [0,2,0,0,0,0|0,0,2]=4 9899 B12R1.374 CCCOc1cc(ccc1F)C 7a_100000759540_100000210303 [0,2,0,0,0,0|0,0,2]=4 9900 B12R1.374 CCCOc1cc(ccc1F)Cl 34a_100000757397_100000210303 [0,2,0,0,0,0|0,0,2]=4 9901 B12R1.374 CCCOc1cc(ccc1F)Cl 7a_100000757397_100000210303 [0,2,0,0,0,0|0,0,2]=4 9902 B12R1.374 CCCOc1cc(ccc1F)F 34a_100000752141_100000210303 [0,2,0,0,0,0|0,0,2]=4 9903 B12R1.374 CCCOc1cc(ccc1F)F 7a_100000752141_100000210303 [0,2,0,0,0,0|0,0,2]=4 9904 B12R1.374 CCCOc1cc(ccc1F)I 34a_100009958187_100000210303 [0,2,0,0,0,0|0,0,2]=4 9905 B12R1.374 CCCOc1cc(ccc1F)I 7a_100009958187_100000210303 [0,2,0,0,0,0|0,0,2]=4 9906 B12R1.374 CCCOc1cc(ccc1F)N 34a_100012017398_100000210303 [0,2,0,0,0,0|0,0,2]=4 9907 B12R1.374 CCCOc1cc(ccc1F)N 7a_100012017398_100000210303 [0,2,0,0,0,0|0,0,2]=4 9908 B12R1.374 CCCOc1cc(ccc1I)Br 34a_100012344904_100000210303 [0,2,0,0,0,0|0,0,2]=4 9909 B12R1.374 CCCOc1cc(ccc1I)Br 7a_100012344904_100000210303 [0,2,0,0,0,0|0,0,2]=4 9910 B12R1.374 CCCOc1cc(ccc1I)Cl 34a_100000050036_100000210303 [0,2,0,0,0,0|0,0,2]=4 9911 B12R1.374 CCCOc1cc(ccc1I)Cl 7a_100000050036_100000210303 [0,2,0,0,0,0|0,0,2]=4 9912 B12R1.374 CCCOc1cc(ccc1I)F 34a_100010084537_100000210303 [0,2,0,0,0,0|0,0,2]=4 9913 B12R1.374 CCCOc1cc(ccc1I)F 7a_100010084537_100000210303 [0,2,0,0,0,0|0,0,2]=4 9914 B12R1.374 CCCOc1cc(ccc1N)Br 34a_100000739049_100000210303 [0,2,0,0,0,0|0,0,2]=4 9915 B12R1.374 CCCOc1cc(ccc1N)Br 7a_100000739049_100000210303 [0,2,0,0,0,0|0,0,2]=4 9916 B12R1.374 CCCOc1cc(ccc1N)C 34a_100000211527_100000210303 [0,2,0,0,0,0|0,0,2]=4 9917 B12R1.374 CCCOc1cc(ccc1N)C 7a_100000211527_100000210303 [0,2,0,0,0,0|0,0,2]=4 9918 B12R1.374 CCCOc1cc(ccc1N)Cl 34a_100000185728_100000210303 [0,2,0,0,0,0|0,0,2]=4 9919 B12R1.374 CCCOc1cc(ccc1N)Cl 7a_100000185728_100000210303 [0,2,0,0,0,0|0,0,2]=4 9920 B12R1.374 CCCOc1cc(ccc1N)F 34a_100000753323_100000210303 [0,2,0,0,0,0|0,0,2]=4 9921 B12R1.374 CCCOc1cc(ccc1N)F 7a_100000753323_100000210303 [0,2,0,0,0,0|0,0,2]=4 9922 B12R1.374 CCCOc1cc(ccc1N)I 34a_100000057187_100000210303 [0,2,0,0,0,0|0,0,2]=4 9923 B12R1.374 CCCOc1cc(ccc1N)I 7a_100000057187_100000210303 [0,2,0,0,0,0|0,0,2]=4 9924 B12R1.374 CCCOc1cc(ccc1N)N 34a_100025717382_100000210303 [0,2,0,0,0,0|0,0,2]=4 9925 B12R1.374 CCCOc1cc(ccc1O)F 271570a_203496583355_200012344540 [0,2,0,0,0,0|0,0,2]=4 9926 B12R1.374 COCOc1cc(ccc1O)C 271570a_203496583355_200023989289 [0,2,0,0,0,0|1,0,1]=4 9927 B12R1.374 COCOc1cc(ccc1O)F 271570a_203496583355_200012568746 [0,2,0,0,0,0|1,0,1]=4 9928 B12R1.374 CSCOc1cc(ccc1Br)Br 34a_100011220040_100011218213 [0,2,0,0,0,0|1,0,1]=4 9929 B12R1.374 CSCOc1cc(ccc1Br)C 34a_100012002257_100011218213 [0,2,0,0,0,0|1,0,1]=4 9930 B12R1.374 CSCOc1cc(ccc1Br)Cl 34a_100012339455_100011218213 [0,2,0,0,0,0|1,0,1]=4 9931 B12R1.374 CSCOc1cc(ccc1Br)F 34a_100000690578_100011218213 [0,2,0,0,0,0|1,0,1]=4 9932 B12R1.374 CSCOc1cc(ccc1Br)I 34a_100012356990_100011218213 [0,2,0,0,0,0|1,0,1]=4 9933 B12R1.374 CSCOc1cc(ccc1C)Br 34a_100000685420_100011218213 [0,2,0,0,0,0|1,0,1]=4 9934 B12R1.374 CSCOc1cc(ccc1C)C 34a_100000210931_100011218213 [0,2,0,0,0,0|1,0,1]=4 9935 B12R1.374 CSCOc1cc(ccc1C)Cl 34a_100000756515_100011218213 [0,2,0,0,0,0|1,0,1]=4 9936 B12R1.374 CSCOc1cc(ccc1C)F 34a_100000690566_100011218213 [0,2,0,0,0,0|1,0,1]=4 9937 B12R1.374 CSCOc1cc(ccc1C)N 34a_100000759471_100011218213 [0,2,0,0,0,0|1,0,1]=4 9938 B12R1.374 CSCOc1cc(ccc1Cl)Br 34a_100000738945_100011218213 [0,2,0,0,0,0|1,0,1]=4 9939 B12R1.374 CSCOc1cc(ccc1Cl)C 34a_100000211493_100011218213 [0,2,0,0,0,0|1,0,1]=4 9940 B12R1.374 CSCOc1cc(ccc1Cl)Cl 34a_100000211422_100011218213 [0,2,0,0,0,0|1,0,1]=4 9941 B12R1.374 CSCOc1cc(ccc1Cl)F 34a_100000692107_100011218213 [0,2,0,0,0,0|1,0,1]=4 9942 B12R1.374 CSCOc1cc(ccc1Cl)I 34a_100011356854_100011218213 [0,2,0,0,0,0|1,0,1]=4 9943 B12R1.374 CSCOc1cc(ccc1Cl)N 34a_100011934209_100011218213 [0,2,0,0,0,0|1,0,1]=4 9944 B12R1.374 CSCOc1cc(ccc1F)Br 34a_100000686035_100011218213 [0,2,0,0,0,0|1,0,1]=4 9945 B12R1.374 CSCOc1cc(ccc1F)C 34a_100000759540_100011218213 [0,2,0,0,0,0|1,0,1]=4 9946 B12R1.374 CSCOc1cc(ccc1F)Cl 34a_100000757397_100011218213 [0,2,0,0,0,0|1,0,1]=4 9947 B12R1.374 CSCOc1cc(ccc1F)F 34a_100000752141_100011218213 [0,2,0,0,0,0|1,0,1]=4 9948 B12R1.374 CSCOc1cc(ccc1F)I 34a_100009958187_100011218213 [0,2,0,0,0,0|1,0,1]=4 9949 B12R1.374 CSCOc1cc(ccc1F)N 34a_100012017398_100011218213 [0,2,0,0,0,0|1,0,1]=4 9950 B12R1.374 CSCOc1cc(ccc1I)Br 34a_100012344904_100011218213 [0,2,0,0,0,0|1,0,1]=4 9951 B12R1.374 CSCOc1cc(ccc1I)Cl 34a_100000050036_100011218213 [0,2,0,0,0,0|1,0,1]=4 9952 B12R1.374 CSCOc1cc(ccc1I)F 34a_100010084537_100011218213 [0,2,0,0,0,0|1,0,1]=4 9953 B12R1.374 CSCOc1cc(ccc1N)Br 34a_100000739049_100011218213 [0,2,0,0,0,0|1,0,1]=4 9954 B12R1.374 CSCOc1cc(ccc1N)C 34a_100000211527_100011218213 [0,2,0,0,0,0|1,0,1]=4 9955 B12R1.374 CSCOc1cc(ccc1N)Cl 34a_100000185728_100011218213 [0,2,0,0,0,0|1,0,1]=4 9956 B12R1.374 CSCOc1cc(ccc1N)F 34a_100000753323_100011218213 [0,2,0,0,0,0|1,0,1]=4 9957 B12R1.374 CSCOc1cc(ccc1N)I 34a_100000057187_100011218213 [0,2,0,0,0,0|1,0,1]=4 9958 B12R1.374 CSCOc1cc(ccc1N)N 34a_100025717382_100011218213 [0,2,0,0,0,0|1,0,1]=4 9959 B12R1.374 Cc1cc(c(cn1)Br)OCC=O 34a_100011016184_200009817547 [0,2,0,0,0,0|2,0,0]=4 9960 B12R1.374 Cc1ccc(c(c1)NCC=O)Br 34a_100000745044_200009817547 [0,2,0,0,0,0|2,0,0]=4 9961 B12R1.374 Cc1ccc(c(c1)NCC=O)C 2230a_100000185781_200015260668 [0,2,0,0,0,0|2,0,0]=4 9962 B12R1.374 Cc1ccc(c(c1)NCC=O)C 34a_100000185781_200009817547 [0,2,0,0,0,0|2,0,0]=4 9963 B12R1.374 Cc1ccc(c(c1)NCC=O)C 7a_100000185781_200015260668 [0,2,0,0,0,0|2,0,0]=4 9964 B12R1.374 Cc1ccc(c(c1)NCC=O)Cl 34a_100011215360_200009817547 [0,2,0,0,0,0|2,0,0]=4 9965 B12R1.374 Cc1ccc(c(c1)NCC=O)F 34a_100000211285_200009817547 [0,2,0,0,0,0|2,0,0]=4 9966 B12R1.374 Cc1ccc(c(c1)NCC=O)I 34a_100011216686_200009817547 [0,2,0,0,0,0|2,0,0]=4 9967 B12R1.374 Cc1ccc(c(c1)NCC=O)O 34a_100011215204_200009817547 [0,2,0,0,0,0|2,0,0]=4 9968 B12R1.374 Cc1ccc(c(c1)OCC#N)Br 7a_100012002257_100011215382 [0,2,0,0,0,0|1,0,1]=4 9969 B12R1.374 Cc1ccc(c(c1)OCC#N)C 7a_100000210931_100011215382 [0,2,0,0,0,0|1,0,1]=4 9970 B12R1.374 Cc1ccc(c(c1)OCC#N)Cl 7a_100000211493_100011215382 [0,2,0,0,0,0|1,0,1]=4 9971 B12R1.374 Cc1ccc(c(c1)OCC#N)F 7a_100000759540_100011215382 [0,2,0,0,0,0|1,0,1]=4 9972 B12R1.374 Cc1ccc(c(c1)OCC#N)N 7a_100000211527_100011215382 [0,2,0,0,0,0|1,0,1]=4 9973 B12R1.374 Cc1ccc(c(c1)OCC=O)Br 34a_100012002257_200009817547 [0,2,0,0,0,0|1,0,0]=3 9974 B12R1.374 Cc1ccc(c(c1)OCC=O)Br 7a_100012002257_200015260668 [0,2,0,0,0,0|1,0,0]=3 9975 B12R1.374 Cc1ccc(c(c1)OCC=O)C 34a_100000210931_200009817547 [0,2,0,0,0,0|1,0,0]=3 9976 B12R1.374 Cc1ccc(c(c1)OCC=O)C 7a_100000210931_200015260668 [0,2,0,0,0,0|1,0,0]=3 9977 B12R1.374 Cc1ccc(c(c1)OCC=O)Cl 34a_100000211493_200009817547 [0,2,0,0,0,0|1,0,0]=3 9978 B12R1.374 Cc1ccc(c(c1)OCC=O)Cl 7a_100000211493_200015260668 [0,2,0,0,0,0|1,0,0]=3 9979 B12R1.374 Cc1ccc(c(c1)OCC=O)F 34a_100000759540_200009817547 [0,2,0,0,0,0|1,0,0]=3 9980 B12R1.374 Cc1ccc(c(c1)OCC=O)F 7a_100000759540_200015260668 [0,2,0,0,0,0|1,0,0]=3 9981 B12R1.374 Cc1ccc(c(c1)OCC=O)N 34a_100000211527_200009817547 [0,2,0,0,0,0|1,0,0]=3 9982 B12R1.374 Cc1ccc(c(c1)OCC=O)N 7a_100000211527_200015260668 [0,2,0,0,0,0|1,0,0]=3 9983 B12R1.374 Cc1ccc(c(c1)OCCF)Br 34a_100012002257_100011217306 [0,2,0,0,0,0|1,0,1]=4 9984 B12R1.374 Cc1ccc(c(c1)OCCF)Br 7a_100012002257_100011217306 [0,2,0,0,0,0|1,0,1]=4 9985 B12R1.374 Cc1ccc(c(c1)OCCF)C 34a_100000210931_100011217306 [0,2,0,0,0,0|1,0,1]=4 9986 B12R1.374 Cc1ccc(c(c1)OCCF)C 7a_100000210931_100011217306 [0,2,0,0,0,0|1,0,1]=4 9987 B12R1.374 Cc1ccc(c(c1)OCCF)Cl 34a_100000211493_100011217306 [0,2,0,0,0,0|1,0,1]=4 9988 B12R1.374 Cc1ccc(c(c1)OCCF)Cl 7a_100000211493_100011217306 [0,2,0,0,0,0|1,0,1]=4 9989 B12R1.374 Cc1ccc(c(c1)OCCF)F 34a_100000759540_100011217306 [0,2,0,0,0,0|1,0,1]=4 9990 B12R1.374 Cc1ccc(c(c1)OCCF)F 7a_100000759540_100011217306 [0,2,0,0,0,0|1,0,1]=4 9991 B12R1.374 Cc1ccc(c(c1)OCCF)N 34a_100000211527_100011217306 [0,2,0,0,0,0|1,0,1]=4 9992 B12R1.374 Cc1ccc(c(c1)OCCF)N 7a_100000211527_100011217306 [0,2,0,0,0,0|1,0,1]=4 9993 B12R1.374 Cc1ccc(c(c1)OCCO)Br 34a_100012002257_100000211926 [0,2,0,0,0,0|1,0,1]=4 9994 B12R1.374 Cc1ccc(c(c1)OCCO)Br 7a_100012002257_100000211926 [0,2,0,0,0,0|1,0,1]=4 9995 B12R1.374 Cc1ccc(c(c1)OCCO)C 34a_100000210931_100000211926 [0,2,0,0,0,0|1,0,1]=4 9996 B12R1.374 Cc1ccc(c(c1)OCCO)C 7a_100000210931_100000211926 [0,2,0,0,0,0|1,0,1]=4 9997 B12R1.374 Cc1ccc(c(c1)OCCO)Cl 34a_100000211493_100000211926 [0,2,0,0,0,0|1,0,1]=4 9998 B12R1.374 Cc1ccc(c(c1)OCCO)Cl 7a_100000211493_100000211926 [0,2,0,0,0,0|1,0,1]=4 9999 B12R1.374 Cc1ccc(c(c1)OCCO)F 34a_100000759540_100000211926 [0,2,0,0,0,0|1,0,1]=4 10000 B12R1.374 Cc1ccc(c(c1)OCCO)F 7a_100000759540_100000211926 [0,2,0,0,0,0|1,0,1]=4 10001 B12R1.374 Cc1ccc(c(c1)OCCO)N 34a_100000211527_100000211926 [0,2,0,0,0,0|1,0,1]=4 10002 B12R1.374 Cc1ccc(c(c1)OCCO)N 7a_100000211527_100000211926 [0,2,0,0,0,0|1,0,1]=4 10003 B12R1.374 Cc1ccc(c(c1)SCC=O)Br 62a_100012353751_200015260668 [0,2,0,0,0,0|1,1,0]=4 10004 B12R1.374 Cc1ccc(c(c1)SCC=O)Br 62a_200015260668_100012353751 [0,2,0,0,0,0|1,1,0]=4 10005 B12R1.374 Cc1ccc(c(c1)SCC=O)C 62a_100000210833_200015260668 [0,2,0,0,0,0|1,1,0]=4 10006 B12R1.374 Cc1ccc(c(c1)SCC=O)C 62a_200015260668_100000210833 [0,2,0,0,0,0|1,1,0]=4 10007 B12R1.374 Cc1ccc(c(c1)SCC=O)Cl 62a_100012356289_200015260668 [0,2,0,0,0,0|1,1,0]=4 10008 B12R1.374 Cc1ccc(c(c1)SCC=O)Cl 62a_200015260668_100012356289 [0,2,0,0,0,0|1,1,0]=4 10009 B12R1.374 Cc1ccc(c(c1)SCC=O)F 62a_100000736223_200015260668 [0,2,0,0,0,0|1,1,0]=4 10010 B12R1.374 Cc1ccc(c(c1)SCC=O)F 62a_200015260668_100000736223 [0,2,0,0,0,0|1,1,0]=4 10011 B12R1.374 Cc1ccc(c(c1)SCC=O)N 62a_100011356834_200015260668 [0,2,0,0,0,0|1,1,0]=4 10012 B12R1.374 Cc1ccc(c(c1)SCC=O)N 62a_200015260668_100011356834 [0,2,0,0,0,0|1,1,0]=4 10013 B12R1.374 Cc1ccc(c(c1)SCC=O)O 62a_100000765521_200015260668 [0,2,0,0,0,0|1,1,0]=4 10014 B12R1.374 Cc1ccc(c(c1)SCC=O)O 62a_200015260668_100000765521 [0,2,0,0,0,0|1,1,0]=4 10015 B12R1.374 Cc1ccc(c(n1)OCC=O)Br 34a_100009817604_200009817547 [0,2,0,0,0,0|2,0,0]=4 10016 B12R1.374 Cc1ccc(c(n1)OCC=O)N 34a_100000687486_200009817547 [0,2,0,0,0,0|2,0,0]=4 10017 B12R1.374 Cc1ccc(cc1NCC=O)Br 34a_100000741167_200009817547 [0,2,0,0,0,0|2,0,0]=4 10018 B12R1.374 Cc1ccc(cc1NCC=O)Br 7a_100000741167_200015260668 [0,2,0,0,0,0|2,0,0]=4 10019 B12R1.374 Cc1ccc(cc1NCC=O)Cl 34a_100000211374_200009817547 [0,2,0,0,0,0|2,0,0]=4 10020 B12R1.374 Cc1ccc(cc1NCC=O)Cl 7a_100000211374_200015260668 [0,2,0,0,0,0|2,0,0]=4 10021 B12R1.374 Cc1ccc(cc1NCC=O)F 34a_100000211107_200009817547 [0,2,0,0,0,0|2,0,0]=4 10022 B12R1.374 Cc1ccc(cc1NCC=O)F 7a_100000211107_200015260668 [0,2,0,0,0,0|2,0,0]=4 10023 B12R1.374 Cc1ccc(cc1NCC=O)I 7a_100000761890_200015260668 [0,2,0,0,0,0|2,0,0]=4 10024 B12R1.374 Cc1ccc(cc1NCC=O)O 34a_100011216113_200009817547 [0,2,0,0,0,0|2,0,0]=4 10025 B12R1.374 Cc1ccc(cc1OCC#N)Br 7a_100000685420_100011215382 [0,2,0,0,0,0|1,0,1]=4 10026 B12R1.374 Cc1ccc(cc1OCC#N)Cl 7a_100000756515_100011215382 [0,2,0,0,0,0|1,0,1]=4 10027 B12R1.374 Cc1ccc(cc1OCC#N)F 7a_100000690566_100011215382 [0,2,0,0,0,0|1,0,1]=4 10028 B12R1.374 Cc1ccc(cc1OCC#N)I 7a_100000766334_100011215382 [0,2,0,0,0,0|1,0,1]=4 10029 B12R1.374 Cc1ccc(cc1OCC#N)N 7a_100000759471_100011215382 [0,2,0,0,0,0|1,0,1]=4 10030 B12R1.374 Cc1ccc(cc1OCC=O)Br 34a_100000685420_200009817547 [0,2,0,0,0,0|1,0,0]=3 10031 B12R1.374 Cc1ccc(cc1OCC=O)Br 7a_100000685420_200015260668 [0,2,0,0,0,0|1,0,0]=3 10032 B12R1.374 Cc1ccc(cc1OCC=O)Cl 34a_100000756515_200009817547 [0,2,0,0,0,0|1,0,0]=3 10033 B12R1.374 Cc1ccc(cc1OCC=O)Cl 7a_100000756515_200015260668 [0,2,0,0,0,0|1,0,0]=3 10034 B12R1.374 Cc1ccc(cc1OCC=O)F 34a_100000690566_200009817547 [0,2,0,0,0,0|1,0,0]=3 10035 B12R1.374 Cc1ccc(cc1OCC=O)F 7a_100000690566_200015260668 [0,2,0,0,0,0|1,0,0]=3 10036 B12R1.374 Cc1ccc(cc1OCC=O)I 7a_100000766334_200015260668 [0,2,0,0,0,0|1,0,0]=3 10037 B12R1.374 Cc1ccc(cc1OCC=O)N 34a_100000759471_200009817547 [0,2,0,0,0,0|1,0,0]=3 10038 B12R1.374 Cc1ccc(cc1OCC=O)N 7a_100000759471_200015260668 [0,2,0,0,0,0|1,0,0]=3 10039 B12R1.374 Cc1ccc(cc1OCCF)Br 34a_100000685420_100011217306 [0,2,0,0,0,0|1,0,1]=4 10040 B12R1.374 Cc1ccc(cc1OCCF)Br 7a_100000685420_100011217306 [0,2,0,0,0,0|1,0,1]=4 10041 B12R1.374 Cc1ccc(cc1OCCF)Cl 34a_100000756515_100011217306 [0,2,0,0,0,0|1,0,1]=4 10042 B12R1.374 Cc1ccc(cc1OCCF)Cl 7a_100000756515_100011217306 [0,2,0,0,0,0|1,0,1]=4 10043 B12R1.374 Cc1ccc(cc1OCCF)F 34a_100000690566_100011217306 [0,2,0,0,0,0|1,0,1]=4 10044 B12R1.374 Cc1ccc(cc1OCCF)F 7a_100000690566_100011217306 [0,2,0,0,0,0|1,0,1]=4 10045 B12R1.374 Cc1ccc(cc1OCCF)I 7a_100000766334_100011217306 [0,2,0,0,0,0|1,0,1]=4 10046 B12R1.374 Cc1ccc(cc1OCCF)N 34a_100000759471_100011217306 [0,2,0,0,0,0|1,0,1]=4 10047 B12R1.374 Cc1ccc(cc1OCCF)N 7a_100000759471_100011217306 [0,2,0,0,0,0|1,0,1]=4 10048 B12R1.374 Cc1ccc(cc1OCCO)Br 34a_100000685420_100000211926 [0,2,0,0,0,0|1,0,1]=4 10049 B12R1.374 Cc1ccc(cc1OCCO)Br 7a_100000685420_100000211926 [0,2,0,0,0,0|1,0,1]=4 10050 B12R1.374 Cc1ccc(cc1OCCO)Cl 34a_100000756515_100000211926 [0,2,0,0,0,0|1,0,1]=4 10051 B12R1.374 Cc1ccc(cc1OCCO)Cl 7a_100000756515_100000211926 [0,2,0,0,0,0|1,0,1]=4 10052 B12R1.374 Cc1ccc(cc1OCCO)F 34a_100000690566_100000211926 [0,2,0,0,0,0|1,0,1]=4 10053 B12R1.374 Cc1ccc(cc1OCCO)F 7a_100000690566_100000211926 [0,2,0,0,0,0|1,0,1]=4 10054 B12R1.374 Cc1ccc(cc1OCCO)I 7a_100000766334_100000211926 [0,2,0,0,0,0|1,0,1]=4 10055 B12R1.374 Cc1ccc(cc1OCCO)N 34a_100000759471_100000211926 [0,2,0,0,0,0|1,0,1]=4 10056 B12R1.374 Cc1ccc(cc1OCCO)N 7a_100000759471_100000211926 [0,2,0,0,0,0|1,0,1]=4 10057 B12R1.374 Cc1ccc(cc1SCC=O)Br 62a_100011344865_200015260668 [0,2,0,0,0,0|1,1,0]=4 10058 B12R1.374 Cc1ccc(cc1SCC=O)Br 62a_200015260668_100011344865 [0,2,0,0,0,0|1,1,0]=4 10059 B12R1.374 Cc1ccc(cc1SCC=O)Cl 62a_100011263213_200015260668 [0,2,0,0,0,0|1,1,0]=4 10060 B12R1.374 Cc1ccc(cc1SCC=O)Cl 62a_200015260668_100011263213 [0,2,0,0,0,0|1,1,0]=4 10061 B12R1.374 Cc1ccc(cc1SCC=O)F 62a_100011218078_200015260668 [0,2,0,0,0,0|1,1,0]=4 10062 B12R1.374 Cc1ccc(cc1SCC=O)F 62a_200015260668_100011218078 [0,2,0,0,0,0|1,1,0]=4 10063 B12R1.374 Cc1ccc(cc1SCC=O)N 62a_100000736455_200015260668 [0,2,0,0,0,0|1,1,0]=4 10064 B12R1.374 Cc1ccc(cc1SCC=O)N 62a_200015260668_100000736455 [0,2,0,0,0,0|1,1,0]=4 10065 B12R1.374 Cc1ccc(cc1SCC=O)O 62a_100011380479_200015260668 [0,2,0,0,0,0|1,1,0]=4 10066 B12R1.374 Cc1ccc(cc1SCC=O)O 62a_200015260668_100011380479 [0,2,0,0,0,0|1,1,0]=4 10067 B12R1.374 Cc1cnc(c(c1)OCC=O)Cl 34a_100012000487_200009817547 [0,2,0,0,0,0|2,0,0]=4 10068 B12R1.374 Cc1cnc(c(c1)OCC=O)Cl 7a_100012000487_200015260668 [0,2,0,0,0,0|2,0,0]=4 10069 B12R1.374 Cc1cnc(c(c1)OCC=O)F 34a_100009849810_200009817547 [0,2,0,0,0,0|2,0,0]=4 10070 B12R1.374 Cc1cnc(c(c1)OCC=O)F 7a_100009849810_200015260668 [0,2,0,0,0,0|2,0,0]=4 10071 B12R1.374 Cc1cnc(cc1OCC=O)Br 34a_100000704368_200009817547 [0,2,0,0,0,0|2,0,0]=4 10072 B12R1.374 Cc1cnc(cc1OCC=O)Br 7a_100000704368_200015260668 [0,2,0,0,0,0|2,0,0]=4 10073 B12R1.374 Cc1ncc(cc1OCC=O)Br 34a_100009864810_200009817547 [0,2,0,0,0,0|2,0,0]=4 10074 B12R1.374 Cc1ncc(cc1OCC=O)Br 7a_100009864810_200015260668 [0,2,0,0,0,0|2,0,0]=4 10075 B12R1.374 FCCOc1cc(ccc1Br)Br 34a_100011220040_100011217306 [0,2,0,0,0,0|1,0,1]=4 10076 B12R1.374 FCCOc1cc(ccc1Br)Br 7a_100011220040_100011217306 [0,2,0,0,0,0|1,0,1]=4 10077 B12R1.374 FCCOc1cc(ccc1Br)Cl 34a_100012339455_100011217306 [0,2,0,0,0,0|1,0,1]=4 10078 B12R1.374 FCCOc1cc(ccc1Br)Cl 7a_100012339455_100011217306 [0,2,0,0,0,0|1,0,1]=4 10079 B12R1.374 FCCOc1cc(ccc1Br)F 34a_100000690578_100011217306 [0,2,0,0,0,0|1,0,1]=4 10080 B12R1.374 FCCOc1cc(ccc1Br)F 7a_100000690578_100011217306 [0,2,0,0,0,0|1,0,1]=4 10081 B12R1.374 FCCOc1cc(ccc1Br)I 34a_100012356990_100011217306 [0,2,0,0,0,0|1,0,1]=4 10082 B12R1.374 FCCOc1cc(ccc1Br)I 7a_100012356990_100011217306 [0,2,0,0,0,0|1,0,1]=4 10083 B12R1.374 FCCOc1cc(ccc1Cl)Br 34a_100000738945_100011217306 [0,2,0,0,0,0|1,0,1]=4 10084 B12R1.374 FCCOc1cc(ccc1Cl)Br 7a_100000738945_100011217306 [0,2,0,0,0,0|1,0,1]=4 10085 B12R1.374 FCCOc1cc(ccc1Cl)Cl 34a_100000211422_100011217306 [0,2,0,0,0,0|1,0,1]=4 10086 B12R1.374 FCCOc1cc(ccc1Cl)Cl 7a_100000211422_100011217306 [0,2,0,0,0,0|1,0,1]=4 10087 B12R1.374 FCCOc1cc(ccc1Cl)F 34a_100000692107_100011217306 [0,2,0,0,0,0|1,0,1]=4 10088 B12R1.374 FCCOc1cc(ccc1Cl)F 7a_100000692107_100011217306 [0,2,0,0,0,0|1,0,1]=4 10089 B12R1.374 FCCOc1cc(ccc1Cl)I 34a_100011356854_100011217306 [0,2,0,0,0,0|1,0,1]=4 10090 B12R1.374 FCCOc1cc(ccc1Cl)I 7a_100011356854_100011217306 [0,2,0,0,0,0|1,0,1]=4 10091 B12R1.374 FCCOc1cc(ccc1F)Br 34a_100000686035_100011217306 [0,2,0,0,0,0|1,0,1]=4 10092 B12R1.374 FCCOc1cc(ccc1F)Br 7a_100000686035_100011217306 [0,2,0,0,0,0|1,0,1]=4 10093 B12R1.374 FCCOc1cc(ccc1F)Cl 34a_100000757397_100011217306 [0,2,0,0,0,0|1,0,1]=4 10094 B12R1.374 FCCOc1cc(ccc1F)Cl 7a_100000757397_100011217306 [0,2,0,0,0,0|1,0,1]=4 10095 B12R1.374 FCCOc1cc(ccc1F)F 34a_100000752141_100011217306 [0,2,0,0,0,0|1,0,1]=4 10096 B12R1.374 FCCOc1cc(ccc1F)F 7a_100000752141_100011217306 [0,2,0,0,0,0|1,0,1]=4 10097 B12R1.374 FCCOc1cc(ccc1F)I 34a_100009958187_100011217306 [0,2,0,0,0,0|1,0,1]=4 10098 B12R1.374 FCCOc1cc(ccc1F)I 7a_100009958187_100011217306 [0,2,0,0,0,0|1,0,1]=4 10099 B12R1.374 FCCOc1cc(ccc1I)Br 34a_100012344904_100011217306 [0,2,0,0,0,0|1,0,1]=4 10100 B12R1.374 FCCOc1cc(ccc1I)Br 7a_100012344904_100011217306 [0,2,0,0,0,0|1,0,1]=4 10101 B12R1.374 FCCOc1cc(ccc1I)Cl 34a_100000050036_100011217306 [0,2,0,0,0,0|1,0,1]=4 10102 B12R1.374 FCCOc1cc(ccc1I)Cl 7a_100000050036_100011217306 [0,2,0,0,0,0|1,0,1]=4 10103 B12R1.374 FCCOc1cc(ccc1I)F 34a_100010084537_100011217306 [0,2,0,0,0,0|1,0,1]=4 10104 B12R1.374 FCCOc1cc(ccc1I)F 7a_100010084537_100011217306 [0,2,0,0,0,0|1,0,1]=4 10105 B12R1.374 N#CCOc1cc(ccc1Br)Br 7a_100011220040_100011215382 [0,2,0,0,0,0|1,0,1]=4 10106 B12R1.374 N#CCOc1cc(ccc1Br)Cl 7a_100012339455_100011215382 [0,2,0,0,0,0|1,0,1]=4 10107 B12R1.374 N#CCOc1cc(ccc1Br)F 7a_100000690578_100011215382 [0,2,0,0,0,0|1,0,1]=4 10108 B12R1.374 N#CCOc1cc(ccc1Br)I 7a_100012356990_100011215382 [0,2,0,0,0,0|1,0,1]=4 10109 B12R1.374 N#CCOc1cc(ccc1Cl)Br 7a_100000738945_100011215382 [0,2,0,0,0,0|1,0,1]=4 10110 B12R1.374 N#CCOc1cc(ccc1Cl)Cl 7a_100000211422_100011215382 [0,2,0,0,0,0|1,0,1]=4 10111 B12R1.374 N#CCOc1cc(ccc1Cl)F 7a_100000692107_100011215382 [0,2,0,0,0,0|1,0,1]=4 10112 B12R1.374 N#CCOc1cc(ccc1Cl)I 7a_100011356854_100011215382 [0,2,0,0,0,0|1,0,1]=4 10113 B12R1.374 N#CCOc1cc(ccc1F)Br 7a_100000686035_100011215382 [0,2,0,0,0,0|1,0,1]=4 10114 B12R1.374 N#CCOc1cc(ccc1F)Cl 7a_100000757397_100011215382 [0,2,0,0,0,0|1,0,1]=4 10115 B12R1.374 N#CCOc1cc(ccc1F)F 7a_100000752141_100011215382 [0,2,0,0,0,0|1,0,1]=4 10116 B12R1.374 N#CCOc1cc(ccc1F)I 7a_100009958187_100011215382 [0,2,0,0,0,0|1,0,1]=4 10117 B12R1.374 N#CCOc1cc(ccc1F)N 7a_100012017398_100011215382 [0,2,0,0,0,0|1,0,1]=4 10118 B12R1.374 N#CCOc1cc(ccc1I)Br 7a_100012344904_100011215382 [0,2,0,0,0,0|1,0,1]=4 10119 B12R1.374 N#CCOc1cc(ccc1I)Cl 7a_100000050036_100011215382 [0,2,0,0,0,0|1,0,1]=4 10120 B12R1.374 N#CCOc1cc(ccc1I)F 7a_100010084537_100011215382 [0,2,0,0,0,0|1,0,1]=4 10121 B12R1.374 N#CCOc1cc(ccc1N)Br 7a_100000739049_100011215382 [0,2,0,0,0,0|1,0,1]=4 10122 B12R1.374 N#CCOc1cc(ccc1N)Cl 7a_100000185728_100011215382 [0,2,0,0,0,0|1,0,1]=4 10123 B12R1.374 N#CCOc1cc(ccc1N)F 7a_100000753323_100011215382 [0,2,0,0,0,0|1,0,1]=4 10124 B12R1.374 N#CCOc1cc(ccc1N)I 7a_100000057187_100011215382 [0,2,0,0,0,0|1,0,1]=4 10125 B12R1.374 Nc1ccc(c(c1)OCC=O)Cl 34a_100011934209_200009817547 [0,2,0,0,0,0|1,0,0]=3 10126 B12R1.374 Nc1ccc(c(c1)OCC=O)F 34a_100012017398_200009817547 [0,2,0,0,0,0|1,0,0]=3 10127 B12R1.374 Nc1ccc(c(c1)OCC=O)F 7a_100012017398_200015260668 [0,2,0,0,0,0|1,0,0]=3 10128 B12R1.374 Nc1ccc(c(c1)OCC=O)N 34a_100025717382_200009817547 [0,2,0,0,0,0|1,0,0]=3 10129 B12R1.374 Nc1ccc(c(c1)OCCF)Cl 34a_100011934209_100011217306 [0,2,0,0,0,0|1,0,1]=4 10130 B12R1.374 Nc1ccc(c(c1)OCCF)F 34a_100012017398_100011217306 [0,2,0,0,0,0|1,0,1]=4 10131 B12R1.374 Nc1ccc(c(c1)OCCF)F 7a_100012017398_100011217306 [0,2,0,0,0,0|1,0,1]=4 10132 B12R1.374 Nc1ccc(c(c1)OCCF)N 34a_100025717382_100011217306 [0,2,0,0,0,0|1,0,1]=4 10133 B12R1.374 Nc1ccc(c(c1)OCCO)Cl 34a_100011934209_100000211926 [0,2,0,0,0,0|1,0,1]=4 10134 B12R1.374 Nc1ccc(c(c1)OCCO)F 34a_100012017398_100000211926 [0,2,0,0,0,0|1,0,1]=4 10135 B12R1.374 Nc1ccc(c(c1)OCCO)F 7a_100012017398_100000211926 [0,2,0,0,0,0|1,0,1]=4 10136 B12R1.374 Nc1ccc(c(c1)OCCO)N 34a_100025717382_100000211926 [0,2,0,0,0,0|1,0,1]=4 10137 B12R1.374 Nc1ccc(c(c1)SCC=O)Br 62a_100000750459_200015260668 [0,2,0,0,0,0|1,1,0]=4 10138 B12R1.374 Nc1ccc(c(c1)SCC=O)Br 62a_200015260668_100000750459 [0,2,0,0,0,0|1,1,0]=4 10139 B12R1.374 Nc1ccc(c(c1)SCC=O)Cl 62a_100012360549_200015260668 [0,2,0,0,0,0|1,1,0]=4 10140 B12R1.374 Nc1ccc(c(c1)SCC=O)Cl 62a_200015260668_100012360549 [0,2,0,0,0,0|1,1,0]=4 10141 B12R1.374 Nc1ccc(c(c1)SCC=O)F 62a_100000760356_200015260668 [0,2,0,0,0,0|1,1,0]=4 10142 B12R1.374 Nc1ccc(c(c1)SCC=O)F 62a_200015260668_100000760356 [0,2,0,0,0,0|1,1,0]=4 10143 B12R1.374 Nc1ccc(c(c1)SCC=O)N 62a_100011534242_200015260668 [0,2,0,0,0,0|1,1,0]=4 10144 B12R1.374 Nc1ccc(c(c1)SCC=O)N 62a_200015260668_100011534242 [0,2,0,0,0,0|1,1,0]=4 10145 B12R1.374 Nc1ccc(c(c1)SCC=O)O 62a_100011534360_200015260668 [0,2,0,0,0,0|1,1,0]=4 10146 B12R1.374 Nc1ccc(c(c1)SCC=O)O 62a_200015260668_100011534360 [0,2,0,0,0,0|1,1,0]=4 10147 B12R1.374 Nc1ccc(cc1OCC=O)Br 34a_100000739049_200009817547 [0,2,0,0,0,0|1,0,0]=3 10148 B12R1.374 Nc1ccc(cc1OCC=O)Br 7a_100000739049_200015260668 [0,2,0,0,0,0|1,0,0]=3 10149 B12R1.374 Nc1ccc(cc1OCC=O)Cl 34a_100000185728_200009817547 [0,2,0,0,0,0|1,0,0]=3 10150 B12R1.374 Nc1ccc(cc1OCC=O)Cl 7a_100000185728_200015260668 [0,2,0,0,0,0|1,0,0]=3 10151 B12R1.374 Nc1ccc(cc1OCC=O)F 34a_100000753323_200009817547 [0,2,0,0,0,0|1,0,0]=3 10152 B12R1.374 Nc1ccc(cc1OCC=O)F 7a_100000753323_200015260668 [0,2,0,0,0,0|1,0,0]=3 10153 B12R1.374 Nc1ccc(cc1OCC=O)I 34a_100000057187_200009817547 [0,2,0,0,0,0|1,0,0]=3 10154 B12R1.374 Nc1ccc(cc1OCC=O)I 7a_100000057187_200015260668 [0,2,0,0,0,0|1,0,0]=3 10155 B12R1.374 Nc1ccc(cc1OCCF)Br 34a_100000739049_100011217306 [0,2,0,0,0,0|1,0,1]=4 10156 B12R1.374 Nc1ccc(cc1OCCF)Br 7a_100000739049_100011217306 [0,2,0,0,0,0|1,0,1]=4 10157 B12R1.374 Nc1ccc(cc1OCCF)Cl 34a_100000185728_100011217306 [0,2,0,0,0,0|1,0,1]=4 10158 B12R1.374 Nc1ccc(cc1OCCF)Cl 7a_100000185728_100011217306 [0,2,0,0,0,0|1,0,1]=4 10159 B12R1.374 Nc1ccc(cc1OCCF)F 34a_100000753323_100011217306 [0,2,0,0,0,0|1,0,1]=4 10160 B12R1.374 Nc1ccc(cc1OCCF)F 7a_100000753323_100011217306 [0,2,0,0,0,0|1,0,1]=4 10161 B12R1.374 Nc1ccc(cc1OCCF)I 34a_100000057187_100011217306 [0,2,0,0,0,0|1,0,1]=4 10162 B12R1.374 Nc1ccc(cc1OCCF)I 7a_100000057187_100011217306 [0,2,0,0,0,0|1,0,1]=4 10163 B12R1.374 Nc1ccc(cc1OCCO)Br 34a_100000739049_100000211926 [0,2,0,0,0,0|1,0,1]=4 10164 B12R1.374 Nc1ccc(cc1OCCO)Br 7a_100000739049_100000211926 [0,2,0,0,0,0|1,0,1]=4 10165 B12R1.374 Nc1ccc(cc1OCCO)Cl 34a_100000185728_100000211926 [0,2,0,0,0,0|1,0,1]=4 10166 B12R1.374 Nc1ccc(cc1OCCO)Cl 7a_100000185728_100000211926 [0,2,0,0,0,0|1,0,1]=4 10167 B12R1.374 Nc1ccc(cc1OCCO)F 34a_100000753323_100000211926 [0,2,0,0,0,0|1,0,1]=4 10168 B12R1.374 Nc1ccc(cc1OCCO)F 7a_100000753323_100000211926 [0,2,0,0,0,0|1,0,1]=4 10169 B12R1.374 Nc1ccc(cc1OCCO)I 34a_100000057187_100000211926 [0,2,0,0,0,0|1,0,1]=4 10170 B12R1.374 Nc1ccc(cc1OCCO)I 7a_100000057187_100000211926 [0,2,0,0,0,0|1,0,1]=4 10171 B12R1.374 Nc1ccc(cc1SCC=O)Br 62a_100000187925_200015260668 [0,2,0,0,0,0|1,1,0]=4 10172 B12R1.374 Nc1ccc(cc1SCC=O)Br 62a_200015260668_100000187925 [0,2,0,0,0,0|1,1,0]=4 10173 B12R1.374 Nc1ccc(cc1SCC=O)Cl 62a_100000761889_200015260668 [0,2,0,0,0,0|1,1,0]=4 10174 B12R1.374 Nc1ccc(cc1SCC=O)Cl 62a_200015260668_100000761889 [0,2,0,0,0,0|1,1,0]=4 10175 B12R1.374 Nc1ccc(cc1SCC=O)F 62a_100000760547_200015260668 [0,2,0,0,0,0|1,1,0]=4 10176 B12R1.374 Nc1ccc(cc1SCC=O)F 62a_200015260668_100000760547 [0,2,0,0,0,0|1,1,0]=4 10177 B12R1.374 Nc1ccc(cc1SCC=O)O 62a_100012001276_200015260668 [0,2,0,0,0,0|1,1,0]=4 10178 B12R1.374 Nc1ccc(cc1SCC=O)O 62a_200015260668_100012001276 [0,2,0,0,0,0|1,1,0]=4 10179 B12R1.374 Nc1ncc(cc1OCC=O)Br 34a_100009819042_200009817547 [0,2,0,0,0,0|2,0,0]=4 10180 B12R1.374 Nc1ncc(cc1OCC=O)Br 7a_100009819042_200015260668 [0,2,0,0,0,0|2,0,0]=4 10181 B12R1.374 Nc1ncc(cc1OCC=O)Cl 34a_100000123674_200009817547 [0,2,0,0,0,0|2,0,0]=4 10182 B12R1.374 Nc1ncc(cc1OCC=O)Cl 7a_100000123674_200015260668 [0,2,0,0,0,0|2,0,0]=4 10183 B12R1.374 Nc1ncc(cc1OCC=O)F 34a_100000094369_200009817547 [0,2,0,0,0,0|2,0,0]=4 10184 B12R1.374 Nc1ncc(cc1OCC=O)F 7a_100000094369_200015260668 [0,2,0,0,0,0|2,0,0]=4 10185 B12R1.374 O=CCNc1cc(ccc1Br)Br 34a_100000737762_200009817547 [0,2,0,0,0,0|2,0,0]=4 10186 B12R1.374 O=CCNc1cc(ccc1Br)Cl 34a_100000687073_200009817547 [0,2,0,0,0,0|2,0,0]=4 10187 B12R1.374 O=CCNc1cc(ccc1Br)F 34a_100000687223_200009817547 [0,2,0,0,0,0|2,0,0]=4 10188 B12R1.374 O=CCNc1cc(ccc1Br)O 34a_100011999798_200009817547 [0,2,0,0,0,0|2,0,0]=4 10189 B12R1.374 O=CCNc1cc(ccc1Cl)Br 34a_100000750497_200009817547 [0,2,0,0,0,0|2,0,0]=4 10190 B12R1.374 O=CCNc1cc(ccc1Cl)Cl 34a_100000184485_200009817547 [0,2,0,0,0,0|2,0,0]=4 10191 B12R1.374 O=CCNc1cc(ccc1Cl)F 34a_100000751338_200009817547 [0,2,0,0,0,0|2,0,0]=4 10192 B12R1.374 O=CCNc1cc(ccc1Cl)I 34a_200000761891_200009817547 [0,2,0,0,0,0|2,0,0]=4 10193 B12R1.374 O=CCNc1cc(ccc1Cl)O 34a_100011934297_200009817547 [0,2,0,0,0,0|2,0,0]=4 10194 B12R1.374 O=CCNc1cc(ccc1F)Br 34a_100000740924_200009817547 [0,2,0,0,0,0|2,0,0]=4 10195 B12R1.374 O=CCNc1cc(ccc1F)Cl 34a_100000212115_200009817547 [0,2,0,0,0,0|2,0,0]=4 10196 B12R1.374 O=CCNc1cc(ccc1F)F 34a_100000210742_200009817547 [0,2,0,0,0,0|2,0,0]=4 10197 B12R1.374 O=CCNc1cc(ccc1F)I 34a_100011464823_200009817547 [0,2,0,0,0,0|2,0,0]=4 10198 B12R1.374 O=CCNc1cc(ccc1F)O 34a_100012017239_200009817547 [0,2,0,0,0,0|2,0,0]=4 10199 B12R1.374 O=CCNc1cc(ccc1I)Br 34a_100000743836_200009817547 [0,2,0,0,0,0|2,0,0]=4 10200 B12R1.374 O=CCNc1cc(ccc1I)Cl 34a_100000761886_200009817547 [0,2,0,0,0,0|2,0,0]=4 10201 B12R1.374 O=CCNc1cc(ccc1I)F 34a_100011218093_200009817547 [0,2,0,0,0,0|2,0,0]=4 10202 B12R1.374 O=CCNc1cc(ccc1O)Br 34a_100000752626_200009817547 [0,2,0,0,0,0|2,0,0]=4 10203 B12R1.374 O=CCNc1cc(ccc1O)Cl 34a_100000210500_200009817547 [0,2,0,0,0,0|2,0,0]=4 10204 B12R1.374 O=CCNc1cc(ccc1O)F 34a_100000759472_200009817547 [0,2,0,0,0,0|2,0,0]=4 10205 B12R1.374 O=CCOc1cc(=O)[nH]cc1Cl 34a_100000069390_200009817547 [0,2,0,0,0,0|2,0,0]=4 10206 B12R1.374 O=CCOc1cc(ccc1Br)Br 34a_100011220040_200009817547 [0,2,0,0,0,0|1,0,0]=3 10207 B12R1.374 O=CCOc1cc(ccc1Br)Br 7a_100011220040_200015260668 [0,2,0,0,0,0|1,0,0]=3 10208 B12R1.374 O=CCOc1cc(ccc1Br)Cl 34a_100012339455_200009817547 [0,2,0,0,0,0|1,0,0]=3 10209 B12R1.374 O=CCOc1cc(ccc1Br)Cl 7a_100012339455_200015260668 [0,2,0,0,0,0|1,0,0]=3 10210 B12R1.374 O=CCOc1cc(ccc1Br)F 34a_100000690578_200009817547 [0,2,0,0,0,0|1,0,0]=3 10211 B12R1.374 O=CCOc1cc(ccc1Br)F 7a_100000690578_200015260668 [0,2,0,0,0,0|1,0,0]=3 10212 B12R1.374 O=CCOc1cc(ccc1Br)I 34a_100012356990_200009817547 [0,2,0,0,0,0|1,0,0]=3 10213 B12R1.374 O=CCOc1cc(ccc1Br)I 7a_100012356990_200015260668 [0,2,0,0,0,0|1,0,0]=3 10214 B12R1.374 O=CCOc1cc(ccc1Cl)Br 34a_100000738945_200009817547 [0,2,0,0,0,0|1,0,0]=3 10215 B12R1.374 O=CCOc1cc(ccc1Cl)Br 7a_100000738945_200015260668 [0,2,0,0,0,0|1,0,0]=3 10216 B12R1.374 O=CCOc1cc(ccc1Cl)Cl 34a_100000211422_200009817547 [0,2,0,0,0,0|1,0,0]=3 10217 B12R1.374 O=CCOc1cc(ccc1Cl)Cl 7a_100000211422_200015260668 [0,2,0,0,0,0|1,0,0]=3 10218 B12R1.374 O=CCOc1cc(ccc1Cl)F 34a_100000692107_200009817547 [0,2,0,0,0,0|1,0,0]=3 10219 B12R1.374 O=CCOc1cc(ccc1Cl)F 7a_100000692107_200015260668 [0,2,0,0,0,0|1,0,0]=3 10220 B12R1.374 O=CCOc1cc(ccc1Cl)I 34a_100011356854_200009817547 [0,2,0,0,0,0|1,0,0]=3 10221 B12R1.374 O=CCOc1cc(ccc1Cl)I 7a_100011356854_200015260668 [0,2,0,0,0,0|1,0,0]=3 10222 B12R1.374 O=CCOc1cc(ccc1F)Br 34a_100000686035_200009817547 [0,2,0,0,0,0|1,0,0]=3 10223 B12R1.374 O=CCOc1cc(ccc1F)Br 7a_100000686035_200015260668 [0,2,0,0,0,0|1,0,0]=3 10224 B12R1.374 O=CCOc1cc(ccc1F)Cl 34a_100000757397_200009817547 [0,2,0,0,0,0|1,0,0]=3 10225 B12R1.374 O=CCOc1cc(ccc1F)Cl 7a_100000757397_200015260668 [0,2,0,0,0,0|1,0,0]=3 10226 B12R1.374 O=CCOc1cc(ccc1F)F 34a_100000752141_200009817547 [0,2,0,0,0,0|1,0,0]=3 10227 B12R1.374 O=CCOc1cc(ccc1F)F 7a_100000752141_200015260668 [0,2,0,0,0,0|1,0,0]=3 10228 B12R1.374 O=CCOc1cc(ccc1F)I 34a_100009958187_200009817547 [0,2,0,0,0,0|1,0,0]=3 10229 B12R1.374 O=CCOc1cc(ccc1F)I 7a_100009958187_200015260668 [0,2,0,0,0,0|1,0,0]=3 10230 B12R1.374 O=CCOc1cc(ccc1I)Br 34a_100012344904_200009817547 [0,2,0,0,0,0|1,0,0]=3 10231 B12R1.374 O=CCOc1cc(ccc1I)Br 7a_100012344904_200015260668 [0,2,0,0,0,0|1,0,0]=3 10232 B12R1.374 O=CCOc1cc(ccc1I)Cl 34a_100000050036_200009817547 [0,2,0,0,0,0|1,0,0]=3 10233 B12R1.374 O=CCOc1cc(ccc1I)Cl 7a_100000050036_200015260668 [0,2,0,0,0,0|1,0,0]=3 10234 B12R1.374 O=CCOc1cc(ccc1I)F 34a_100010084537_200009817547 [0,2,0,0,0,0|1,0,0]=3 10235 B12R1.374 O=CCOc1cc(ccc1I)F 7a_100010084537_200015260668 [0,2,0,0,0,0|1,0,0]=3 10236 B12R1.374 O=CCOc1cc(cnc1Br)Cl 34a_100000697010_200009817547 [0,2,0,0,0,0|2,0,0]=4 10237 B12R1.374 O=CCOc1cc(cnc1Br)Cl 7a_100000697010_200015260668 [0,2,0,0,0,0|2,0,0]=4 10238 B12R1.374 O=CCOc1cc(cnc1Br)F 34a_100009820119_200009817547 [0,2,0,0,0,0|2,0,0]=4 10239 B12R1.374 O=CCOc1cc(cnc1Br)F 7a_100009820119_200015260668 [0,2,0,0,0,0|2,0,0]=4 10240 B12R1.374 O=CCOc1cc(cnc1Cl)Br 34a_100012354860_200009817547 [0,2,0,0,0,0|2,0,0]=4 10241 B12R1.374 O=CCOc1cc(cnc1Cl)Br 7a_100012354860_200015260668 [0,2,0,0,0,0|2,0,0]=4 10242 B12R1.374 O=CCOc1cc(cnc1Cl)F 34a_100000079967_200009817547 [0,2,0,0,0,0|2,0,0]=4 10243 B12R1.374 O=CCOc1cc(cnc1Cl)F 7a_100000079967_200015260668 [0,2,0,0,0,0|2,0,0]=4 10244 B12R1.374 O=CCOc1cc(cnc1F)Br 34a_100009819871_200009817547 [0,2,0,0,0,0|2,0,0]=4 10245 B12R1.374 O=CCOc1cc(cnc1F)Br 7a_100009819871_200015260668 [0,2,0,0,0,0|2,0,0]=4 10246 B12R1.374 O=CCOc1cc(cnc1F)Cl 34a_100000094372_200009817547 [0,2,0,0,0,0|2,0,0]=4 10247 B12R1.374 O=CCOc1cc(cnc1F)Cl 7a_100000094372_200015260668 [0,2,0,0,0,0|2,0,0]=4 10248 B12R1.374 O=CCOc1cc(cnc1I)Br 34a_100010210634_200009817547 [0,2,0,0,0,0|2,0,0]=4 10249 B12R1.374 O=CCOc1cc(cnc1I)Br 7a_100010210634_200015260668 [0,2,0,0,0,0|2,0,0]=4 10250 B12R1.374 O=CCOc1cc(cnc1I)Cl 34a_100010233512_200009817547 [0,2,0,0,0,0|2,0,0]=4 10251 B12R1.374 O=CCOc1cc(cnc1I)Cl 7a_100010233512_200015260668 [0,2,0,0,0,0|2,0,0]=4 10252 B12R1.374 O=CCOc1cc(cnc1I)F 34a_100015624800_200009817547 [0,2,0,0,0,0|2,0,0]=4 10253 B12R1.374 O=CCOc1cc(cnc1I)F 7a_100015624800_200015260668 [0,2,0,0,0,0|2,0,0]=4 10254 B12R1.374 O=CCOc1cc(ncc1Br)Br 34a_100010235016_200009817547 [0,2,0,0,0,0|2,0,0]=4 10255 B12R1.374 O=CCOc1cc(ncc1Br)Cl 34a_100010173860_200009817547 [0,2,0,0,0,0|2,0,0]=4 10256 B12R1.374 O=CCOc1cc(ncc1Cl)Br 34a_100010173861_200009817547 [0,2,0,0,0,0|2,0,0]=4 10257 B12R1.374 O=CCOc1cc(ncc1F)Br 34a_100009854642_200009817547 [0,2,0,0,0,0|2,0,0]=4 10258 B12R1.374 O=CCOc1cc(ncc1F)Cl 34a_100009851168_200009817547 [0,2,0,0,0,0|2,0,0]=4 10259 B12R1.374 O=CCOc1nc(ccc1F)Cl 34a_100010729010_200009817547 [0,2,0,0,0,0|2,0,0]=4 10260 B12R1.374 O=CCSc1cc(ccc1Br)Br 62a_100011483371_200015260668 [0,2,0,0,0,0|1,1,0]=4 10261 B12R1.374 O=CCSc1cc(ccc1Br)Br 62a_200015260668_100011483371 [0,2,0,0,0,0|1,1,0]=4 10262 B12R1.374 O=CCSc1cc(ccc1Br)Cl 62a_100012339723_200015260668 [0,2,0,0,0,0|1,1,0]=4 10263 B12R1.374 O=CCSc1cc(ccc1Br)Cl 62a_200015260668_100012339723 [0,2,0,0,0,0|1,1,0]=4 10264 B12R1.374 O=CCSc1cc(ccc1Br)F 62a_100011217576_200015260668 [0,2,0,0,0,0|1,1,0]=4 10265 B12R1.374 O=CCSc1cc(ccc1Br)F 62a_200015260668_100011217576 [0,2,0,0,0,0|1,1,0]=4 10266 B12R1.374 O=CCSc1cc(ccc1Br)O 62a_100012339312_200015260668 [0,2,0,0,0,0|1,1,0]=4 10267 B12R1.374 O=CCSc1cc(ccc1Br)O 62a_200015260668_100012339312 [0,2,0,0,0,0|1,1,0]=4 10268 B12R1.374 O=CCSc1cc(ccc1Cl)Br 62a_100011772130_200015260668 [0,2,0,0,0,0|1,1,0]=4 10269 B12R1.374 O=CCSc1cc(ccc1Cl)Br 62a_200015260668_100011772130 [0,2,0,0,0,0|1,1,0]=4 10270 B12R1.374 O=CCSc1cc(ccc1Cl)Cl 62a_100000707729_200015260668 [0,2,0,0,0,0|1,1,0]=4 10271 B12R1.374 O=CCSc1cc(ccc1Cl)Cl 62a_200015260668_100000707729 [0,2,0,0,0,0|1,1,0]=4 10272 B12R1.374 O=CCSc1cc(ccc1Cl)F 62a_100011217299_200015260668 [0,2,0,0,0,0|1,1,0]=4 10273 B12R1.374 O=CCSc1cc(ccc1Cl)F 62a_200015260668_100011217299 [0,2,0,0,0,0|1,1,0]=4 10274 B12R1.374 O=CCSc1cc(ccc1Cl)O 62a_100000049588_200015260668 [0,2,0,0,0,0|1,1,0]=4 10275 B12R1.374 O=CCSc1cc(ccc1Cl)O 62a_200015260668_100000049588 [0,2,0,0,0,0|1,1,0]=4 10276 B12R1.374 O=CCSc1cc(ccc1F)Br 62a_100011217312_200015260668 [0,2,0,0,0,0|1,1,0]=4 10277 B12R1.374 O=CCSc1cc(ccc1F)Br 62a_200015260668_100011217312 [0,2,0,0,0,0|1,1,0]=4 10278 B12R1.374 O=CCSc1cc(ccc1F)Cl 62a_100011218116_200015260668 [0,2,0,0,0,0|1,1,0]=4 10279 B12R1.374 O=CCSc1cc(ccc1F)Cl 62a_200015260668_100011218116 [0,2,0,0,0,0|1,1,0]=4 10280 B12R1.374 O=CCSc1cc(ccc1F)F 62a_100011219198_200015260668 [0,2,0,0,0,0|1,1,0]=4 10281 B12R1.374 O=CCSc1cc(ccc1F)F 62a_200015260668_100011219198 [0,2,0,0,0,0|1,1,0]=4 10282 B12R1.374 O=CCSc1cc(ccc1F)O 62a_100000693481_200015260668 [0,2,0,0,0,0|1,1,0]=4 10283 B12R1.374 O=CCSc1cc(ccc1F)O 62a_200015260668_100000693481 [0,2,0,0,0,0|1,1,0]=4 10284 B12R1.374 O=CCSc1cc(ccc1O)Br 62a_100012355227_200015260668 [0,2,0,0,0,0|1,1,0]=4 10285 B12R1.374 O=CCSc1cc(ccc1O)Br 62a_200015260668_100012355227 [0,2,0,0,0,0|1,1,0]=4 10286 B12R1.374 O=CCSc1cc(ccc1O)Cl 62a_100011356953_200015260668 [0,2,0,0,0,0|1,1,0]=4 10287 B12R1.374 O=CCSc1cc(ccc1O)Cl 62a_200015260668_100011356953 [0,2,0,0,0,0|1,1,0]=4 10288 B12R1.374 O=CCSc1cc(ccc1O)F 62a_100000211999_200015260668 [0,2,0,0,0,0|1,1,0]=4 10289 B12R1.374 O=CCSc1cc(ccc1O)F 62a_200015260668_100000211999 [0,2,0,0,0,0|1,1,0]=4 10290 B12R1.374 O=CCSc1cc(ccc1O)O 62a_200015260668_100009813629 [0,2,0,0,0,0|1,1,0]=4 10291 B12R1.374 OCCOc1cc(ccc1Br)Br 34a_100011220040_100000211926 [0,2,0,0,0,0|1,0,1]=4 10292 B12R1.374 OCCOc1cc(ccc1Br)Br 7a_100011220040_100000211926 [0,2,0,0,0,0|1,0,1]=4 10293 B12R1.374 OCCOc1cc(ccc1Br)Cl 34a_100012339455_100000211926 [0,2,0,0,0,0|1,0,1]=4 10294 B12R1.374 OCCOc1cc(ccc1Br)Cl 7a_100012339455_100000211926 [0,2,0,0,0,0|1,0,1]=4 10295 B12R1.374 OCCOc1cc(ccc1Br)F 34a_100000690578_100000211926 [0,2,0,0,0,0|1,0,1]=4 10296 B12R1.374 OCCOc1cc(ccc1Br)F 7a_100000690578_100000211926 [0,2,0,0,0,0|1,0,1]=4 10297 B12R1.374 OCCOc1cc(ccc1Br)I 34a_100012356990_100000211926 [0,2,0,0,0,0|1,0,1]=4 10298 B12R1.374 OCCOc1cc(ccc1Br)I 7a_100012356990_100000211926 [0,2,0,0,0,0|1,0,1]=4 10299 B12R1.374 OCCOc1cc(ccc1Cl)Br 34a_100000738945_100000211926 [0,2,0,0,0,0|1,0,1]=4 10300 B12R1.374 OCCOc1cc(ccc1Cl)Br 7a_100000738945_100000211926 [0,2,0,0,0,0|1,0,1]=4 10301 B12R1.374 OCCOc1cc(ccc1Cl)Cl 34a_100000211422_100000211926 [0,2,0,0,0,0|1,0,1]=4 10302 B12R1.374 OCCOc1cc(ccc1Cl)Cl 7a_100000211422_100000211926 [0,2,0,0,0,0|1,0,1]=4 10303 B12R1.374 OCCOc1cc(ccc1Cl)F 34a_100000692107_100000211926 [0,2,0,0,0,0|1,0,1]=4 10304 B12R1.374 OCCOc1cc(ccc1Cl)F 7a_100000692107_100000211926 [0,2,0,0,0,0|1,0,1]=4 10305 B12R1.374 OCCOc1cc(ccc1Cl)I 34a_100011356854_100000211926 [0,2,0,0,0,0|1,0,1]=4 10306 B12R1.374 OCCOc1cc(ccc1Cl)I 7a_100011356854_100000211926 [0,2,0,0,0,0|1,0,1]=4 10307 B12R1.374 OCCOc1cc(ccc1F)Br 34a_100000686035_100000211926 [0,2,0,0,0,0|1,0,1]=4 10308 B12R1.374 OCCOc1cc(ccc1F)Br 7a_100000686035_100000211926 [0,2,0,0,0,0|1,0,1]=4 10309 B12R1.374 OCCOc1cc(ccc1F)Cl 34a_100000757397_100000211926 [0,2,0,0,0,0|1,0,1]=4 10310 B12R1.374 OCCOc1cc(ccc1F)Cl 7a_100000757397_100000211926 [0,2,0,0,0,0|1,0,1]=4 10311 B12R1.374 OCCOc1cc(ccc1F)F 34a_100000752141_100000211926 [0,2,0,0,0,0|1,0,1]=4 10312 B12R1.374 OCCOc1cc(ccc1F)F 7a_100000752141_100000211926 [0,2,0,0,0,0|1,0,1]=4 10313 B12R1.374 OCCOc1cc(ccc1F)I 34a_100009958187_100000211926 [0,2,0,0,0,0|1,0,1]=4 10314 B12R1.374 OCCOc1cc(ccc1F)I 7a_100009958187_100000211926 [0,2,0,0,0,0|1,0,1]=4 10315 B12R1.374 OCCOc1cc(ccc1I)Br 34a_100012344904_100000211926 [0,2,0,0,0,0|1,0,1]=4 10316 B12R1.374 OCCOc1cc(ccc1I)Br 7a_100012344904_100000211926 [0,2,0,0,0,0|1,0,1]=4 10317 B12R1.374 OCCOc1cc(ccc1I)Cl 34a_100000050036_100000211926 [0,2,0,0,0,0|1,0,1]=4 10318 B12R1.374 OCCOc1cc(ccc1I)Cl 7a_100000050036_100000211926 [0,2,0,0,0,0|1,0,1]=4 10319 B12R1.374 OCCOc1cc(ccc1I)F 34a_100010084537_100000211926 [0,2,0,0,0,0|1,0,1]=4 10320 B12R1.374 OCCOc1cc(ccc1I)F 7a_100010084537_100000211926 [0,2,0,0,0,0|1,0,1]=4 10321 B12R1.1631 C#CCOc1c(cccc1Br)Br 34a_100000736428_100000184674 [0,2,0,0,0,0|0,0,2]=4 10322 B12R1.1631 C#CCOc1c(cccc1Br)Br 7a_100000736428_100000038162 [0,2,0,0,0,0|0,0,2]=4 10323 B12R1.1631 C#CCOc1c(cccc1Br)C 34a_100009817157_100000184674 [0,2,0,0,0,0|0,0,2]=4 10324 B12R1.1631 C#CCOc1c(cccc1Br)C 7a_100009817157_100000038162 [0,2,0,0,0,0|0,0,2]=4 10325 B12R1.1631 C#CCOc1c(cccc1Br)Cl 34a_100010214474_100000184674 [0,2,0,0,0,0|0,0,2]=4 10326 B12R1.1631 C#CCOc1c(cccc1Br)Cl 7a_100010214474_100000038162 [0,2,0,0,0,0|0,0,2]=4 10327 B12R1.1631 C#CCOc1c(cccc1Br)F 34a_100009813666_100000184674 [0,2,0,0,0,0|0,0,2]=4 10328 B12R1.1631 C#CCOc1c(cccc1Br)F 7a_100009813666_100000038162 [0,2,0,0,0,0|0,0,2]=4 10329 B12R1.1631 C#CCOc1c(cccc1Br)N 34a_100011934915_100000184674 [0,2,0,0,0,0|0,0,2]=4 10330 B12R1.1631 C#CCOc1c(cccc1C)C 34a_100000210341_100000184674 [0,2,0,0,0,0|0,0,2]=4 10331 B12R1.1631 C#CCOc1c(cccc1C)C 7a_100000210341_100000038162 [0,2,0,0,0,0|0,0,2]=4 10332 B12R1.1631 C#CCOc1c(cccc1Cl)C 34a_100000033731_100000184674 [0,2,0,0,0,0|0,0,2]=4 10333 B12R1.1631 C#CCOc1c(cccc1Cl)C 7a_100000033731_100000038162 [0,2,0,0,0,0|0,0,2]=4 10334 B12R1.1631 C#CCOc1c(cccc1Cl)Cl 34a_100000211709_100000184674 [0,2,0,0,0,0|0,0,2]=4 10335 B12R1.1631 C#CCOc1c(cccc1Cl)Cl 7a_100000211709_100000038162 [0,2,0,0,0,0|0,0,2]=4 10336 B12R1.1631 C#CCOc1c(cccc1Cl)F 34a_100000694953_100000184674 [0,2,0,0,0,0|0,0,2]=4 10337 B12R1.1631 C#CCOc1c(cccc1Cl)F 7a_100000694953_100000038162 [0,2,0,0,0,0|0,0,2]=4 10338 B12R1.1631 C#CCOc1c(cccc1Cl)N 34a_100000754742_100000184674 [0,2,0,0,0,0|0,0,2]=4 10339 B12R1.1631 C#CCOc1c(cccc1F)C 34a_100011659162_100000184674 [0,2,0,0,0,0|0,0,2]=4 10340 B12R1.1631 C#CCOc1c(cccc1F)C 7a_100011659162_100000038162 [0,2,0,0,0,0|0,0,2]=4 10341 B12R1.1631 C#CCOc1c(cccc1F)F 34a_100000230165_100000184674 [0,2,0,0,0,0|0,0,2]=4 10342 B12R1.1631 C#CCOc1c(cccc1F)F 7a_100000230165_100000038162 [0,2,0,0,0,0|0,0,2]=4 10343 B12R1.1631 C#CCOc1c(cccc1F)N 34a_100011934987_100000184674 [0,2,0,0,0,0|0,0,2]=4 10344 B12R1.1631 C#CCOc1c(cccc1I)Br 34a_100010084509_100000184674 [0,2,0,0,0,0|0,0,2]=4 10345 B12R1.1631 C#CCOc1c(cccc1I)Br 7a_100010084509_100000038162 [0,2,0,0,0,0|0,0,2]=4 10346 B12R1.1631 C#CCOc1c(cccc1I)Cl 34a_100010202889_100000184674 [0,2,0,0,0,0|0,0,2]=4 10347 B12R1.1631 C#CCOc1c(cccc1I)Cl 7a_100010202889_100000038162 [0,2,0,0,0,0|0,0,2]=4 10348 B12R1.1631 C#CCOc1c(cccc1I)F 34a_100010186298_100000184674 [0,2,0,0,0,0|0,0,2]=4 10349 B12R1.1631 C#CCOc1c(cccc1I)F 7a_100010186298_100000038162 [0,2,0,0,0,0|0,0,2]=4 10350 B12R1.1631 C#CCOc1c(cccc1I)N 34a_100010084371_100000184674 [0,2,0,0,0,0|0,0,2]=4 10351 B12R1.1631 C#CCOc1c(cccc1N)C 34a_100000756359_100000184674 [0,2,0,0,0,0|0,0,2]=4 10352 B12R1.1631 C#CCOc1c(cccc1N)C 7a_100000756359_100000038162 [0,2,0,0,0,0|0,0,2]=4 10353 B12R1.1631 C#CCOc1c(cccc1N)N 34a_200016994477_100000184674 [0,2,0,0,0,0|0,0,2]=4 10354 B12R1.1631 C=CCNc1c(cccc1Br)Br 34a_100000690995_100015514636 [0,2,0,0,0,0|1,0,0]=3 10355 B12R1.1631 C=CCNc1c(cccc1Br)C 34a_100011834072_100015514636 [0,2,0,0,0,0|1,0,0]=3 10356 B12R1.1631 C=CCNc1c(cccc1Br)Cl 34a_100102946385_100015514636 [0,2,0,0,0,0|1,0,0]=3 10357 B12R1.1631 C=CCNc1c(cccc1Br)F 34a_100000684712_100015514636 [0,2,0,0,0,0|1,0,0]=3 10358 B12R1.1631 C=CCNc1c(cccc1Br)O 34a_100011934926_100015514636 [0,2,0,0,0,0|1,0,0]=3 10359 B12R1.1631 C=CCNc1c(cccc1C)C 34a_100000185769_100015514636 [0,2,0,0,0,0|1,0,0]=3 10360 B12R1.1631 C=CCNc1c(cccc1Cl)C 34a_100000756524_100015514636 [0,2,0,0,0,0|1,0,0]=3 10361 B12R1.1631 C=CCNc1c(cccc1Cl)Cl 34a_100000210028_100015514636 [0,2,0,0,0,0|1,0,0]=3 10362 B12R1.1631 C=CCNc1c(cccc1Cl)F 34a_100000760031_100015514636 [0,2,0,0,0,0|1,0,0]=3 10363 B12R1.1631 C=CCNc1c(cccc1Cl)O 34a_100012022510_100015514636 [0,2,0,0,0,0|1,0,0]=3 10364 B12R1.1631 C=CCNc1c(cccc1F)C 34a_100000766463_100015514636 [0,2,0,0,0,0|1,0,0]=3 10365 B12R1.1631 C=CCNc1c(cccc1F)F 2230a_100000210704_100000210623 [0,2,0,0,0,0|1,0,0]=3 10366 B12R1.1631 C=CCNc1c(cccc1F)F 34a_100000210704_100015514636 [0,2,0,0,0,0|1,0,0]=3 10367 B12R1.1631 C=CCNc1c(cccc1F)O 34a_100020591140_100015514636 [0,2,0,0,0,0|1,0,0]=3 10368 B12R1.1631 C=CCNc1c(cccc1I)F 34a_100000042321_100015514636 [0,2,0,0,0,0|1,0,0]=3 10369 B12R1.1631 C=CCNc1c(cccc1O)C 34a_100000743429_100015514636 [0,2,0,0,0,0|1,0,0]=3 10370 B12R1.1631 C=CCNc1c(ccnc1F)C 27a_100020586998_100009818256 [0,2,0,0,0,0|2,0,0]=4 10371 B12R1.1631 C=CCNc1c(ccnc1F)F 27a_100020586998_100009874084 [0,2,0,0,0,0|2,0,0]=4 10372 B12R1.1631 C=CCOc1c(cccc1Br)Br 34a_100000736428_100015514636 [0,2,0,0,0,0|0,0,0]=2 10373 B12R1.1631 C=CCOc1c(cccc1Br)Br 7a_100000736428_100015514636 [0,2,0,0,0,0|0,0,0]=2 10374 B12R1.1631 C=CCOc1c(cccc1Br)C 34a_100009817157_100015514636 [0,2,0,0,0,0|0,0,0]=2 10375 B12R1.1631 C=CCOc1c(cccc1Br)C 7a_100009817157_100015514636 [0,2,0,0,0,0|0,0,0]=2 10376 B12R1.1631 C=CCOc1c(cccc1Br)Cl 34a_100010214474_100015514636 [0,2,0,0,0,0|0,0,0]=2 10377 B12R1.1631 C=CCOc1c(cccc1Br)Cl 7a_100010214474_100015514636 [0,2,0,0,0,0|0,0,0]=2 10378 B12R1.1631 C=CCOc1c(cccc1Br)F 34a_100009813666_100015514636 [0,2,0,0,0,0|0,0,0]=2 10379 B12R1.1631 C=CCOc1c(cccc1Br)F 7a_100009813666_100015514636 [0,2,0,0,0,0|0,0,0]=2 10380 B12R1.1631 C=CCOc1c(cccc1Br)N 34a_100011934915_100015514636 [0,2,0,0,0,0|0,0,0]=2 10381 B12R1.1631 C=CCOc1c(cccc1C)C 34a_100000210341_100015514636 [0,2,0,0,0,0|0,0,0]=2 10382 B12R1.1631 C=CCOc1c(cccc1C)C 7a_100000210341_100015514636 [0,2,0,0,0,0|0,0,0]=2 10383 B12R1.1631 C=CCOc1c(cccc1Cl)C 34a_100000033731_100015514636 [0,2,0,0,0,0|0,0,0]=2 10384 B12R1.1631 C=CCOc1c(cccc1Cl)C 7a_100000033731_100015514636 [0,2,0,0,0,0|0,0,0]=2 10385 B12R1.1631 C=CCOc1c(cccc1Cl)Cl 34a_100000211709_100015514636 [0,2,0,0,0,0|0,0,0]=2 10386 B12R1.1631 C=CCOc1c(cccc1Cl)Cl 7a_100000211709_100015514636 [0,2,0,0,0,0|0,0,0]=2 10387 B12R1.1631 C=CCOc1c(cccc1Cl)F 34a_100000694953_100015514636 [0,2,0,0,0,0|0,0,0]=2 10388 B12R1.1631 C=CCOc1c(cccc1Cl)F 7a_100000694953_100015514636 [0,2,0,0,0,0|0,0,0]=2 10389 B12R1.1631 C=CCOc1c(cccc1Cl)N 34a_100000754742_100015514636 [0,2,0,0,0,0|0,0,0]=2 10390 B12R1.1631 C=CCOc1c(cccc1F)C 34a_100011659162_100015514636 [0,2,0,0,0,0|0,0,0]=2 10391 B12R1.1631 C=CCOc1c(cccc1F)C 7a_100011659162_100015514636 [0,2,0,0,0,0|0,0,0]=2 10392 B12R1.1631 C=CCOc1c(cccc1F)F 34a_100000230165_100015514636 [0,2,0,0,0,0|0,0,0]=2 10393 B12R1.1631 C=CCOc1c(cccc1F)F 7a_100000230165_100015514636 [0,2,0,0,0,0|0,0,0]=2 10394 B12R1.1631 C=CCOc1c(cccc1F)N 34a_100011934987_100015514636 [0,2,0,0,0,0|0,0,0]=2 10395 B12R1.1631 C=CCOc1c(cccc1I)Br 34a_100010084509_100015514636 [0,2,0,0,0,0|0,0,0]=2 10396 B12R1.1631 C=CCOc1c(cccc1I)Br 7a_100010084509_100015514636 [0,2,0,0,0,0|0,0,0]=2 10397 B12R1.1631 C=CCOc1c(cccc1I)Cl 34a_100010202889_100015514636 [0,2,0,0,0,0|0,0,0]=2 10398 B12R1.1631 C=CCOc1c(cccc1I)Cl 7a_100010202889_100015514636 [0,2,0,0,0,0|0,0,0]=2 10399 B12R1.1631 C=CCOc1c(cccc1I)F 34a_100010186298_100015514636 [0,2,0,0,0,0|0,0,0]=2 10400 B12R1.1631 C=CCOc1c(cccc1I)F 7a_100010186298_100015514636 [0,2,0,0,0,0|0,0,0]=2 10401 B12R1.1631 C=CCOc1c(cccc1I)N 34a_100010084371_100015514636 [0,2,0,0,0,0|0,0,0]=2 10402 B12R1.1631 C=CCOc1c(cccc1N)C 34a_100000756359_100015514636 [0,2,0,0,0,0|0,0,0]=2 10403 B12R1.1631 C=CCOc1c(cccc1N)C 7a_100000756359_100015514636 [0,2,0,0,0,0|0,0,0]=2 10404 B12R1.1631 C=CCOc1c(cccc1N)N 34a_200016994477_100015514636 [0,2,0,0,0,0|0,0,0]=2 10405 B12R1.1631 C=CCOc1c(ccnc1C)C 34a_100011934651_100015514636 [0,2,0,0,0,0|1,0,0]=3 10406 B12R1.1631 C=CCOc1c(ccnc1C)C 7a_100011934651_100015514636 [0,2,0,0,0,0|1,0,0]=3 10407 B12R1.1631 C=CCOc1c(ccnc1Cl)C 34a_100000696282_100015514636 [0,2,0,0,0,0|1,0,0]=3 10408 B12R1.1631 C=CCOc1c(ccnc1Cl)C 7a_100000696282_100015514636 [0,2,0,0,0,0|1,0,0]=3 10409 B12R1.1631 C=CCOc1c(ccnc1Cl)Cl 34a_100000118450_100015514636 [0,2,0,0,0,0|1,0,0]=3 10410 B12R1.1631 C=CCOc1c(ccnc1Cl)Cl 7a_100000118450_100015514636 [0,2,0,0,0,0|1,0,0]=3 10411 B12R1.1631 C=CCOc1c(ccnc1Cl)F 34a_100009867227_100015514636 [0,2,0,0,0,0|1,0,0]=3 10412 B12R1.1631 C=CCOc1c(ccnc1Cl)F 7a_100009867227_100015514636 [0,2,0,0,0,0|1,0,0]=3 10413 B12R1.1631 C=CCOc1c(ccnc1Cl)I 34a_100010067911_100015514636 [0,2,0,0,0,0|1,0,0]=3 10414 B12R1.1631 C=CCOc1c(ccnc1Cl)I 7a_100010067911_100015514636 [0,2,0,0,0,0|1,0,0]=3 10415 B12R1.1631 C=CCOc1c(ccnc1Cl)N 34a_100009844647_100015514636 [0,2,0,0,0,0|1,0,0]=3 10416 B12R1.1631 C=CCOc1c(ccnc1Cl)N 7a_100009844647_100015514636 [0,2,0,0,0,0|1,0,0]=3 10417 B12R1.1631 C=CCOc1c(ncnc1C)C 34a_100009878406_100015514636 [0,2,0,0,0,0|2,0,0]=4 10418 B12R1.1631 C=CCOc1c(ncnc1C)C 7a_100009878406_100015514636 [0,2,0,0,0,0|2,0,0]=4 10419 B12R1.1631 C=CCOc1c(ncnc1Cl)Cl 34a_100009876168_100015514636 [0,2,0,0,0,0|2,0,0]=4 10420 B12R1.1631 C=CCOc1c(ncnc1Cl)Cl 7a_100009876168_100015514636 [0,2,0,0,0,0|2,0,0]=4 10421 B12R1.1631 C=CCOc1c(ncnc1Cl)N 34a_100000124137_100015514636 [0,2,0,0,0,0|2,0,0]=4 10422 B12R1.1631 C=CCOc1c(ncnc1Cl)N 7a_100000124137_100015514636 [0,2,0,0,0,0|2,0,0]=4 10423 B12R1.1631 C=CCOc1c(occc1=O)C 34a_100000031901_100015514636 [0,2,0,0,0,0|1,0,0]=3 10424 B12R1.1631 C=CCSc1c(ccc[n+]1[O-])C 62a_100000210623_100116209805 [0,2,0,0,0,0|1,1,0]=4 10425 B12R1.1631 C=CCSc1c(cccc1Br)Br 62a_100000210623_100009994525 [0,2,0,0,0,0|0,1,0]=3 10426 B12R1.1631 C=CCSc1c(cccc1Br)Br 62a_100009994525_100000210623 [0,2,0,0,0,0|0,1,0]=3 10427 B12R1.1631 C=CCSc1c(cccc1Br)C 62a_100000210623_100010141302 [0,2,0,0,0,0|0,1,0]=3 10428 B12R1.1631 C=CCSc1c(cccc1Br)C 62a_100010141302_100000210623 [0,2,0,0,0,0|0,1,0]=3 10429 B12R1.1631 C=CCSc1c(cccc1Br)Cl 62a_100000210623_100010214488 [0,2,0,0,0,0|0,1,0]=3 10430 B12R1.1631 C=CCSc1c(cccc1Br)Cl 62a_100010214488_100000210623 [0,2,0,0,0,0|0,1,0]=3 10431 B12R1.1631 C=CCSc1c(cccc1Br)F 62a_100000210623_100011219512 [0,2,0,0,0,0|0,1,0]=3 10432 B12R1.1631 C=CCSc1c(cccc1Br)F 62a_100011219512_100000210623 [0,2,0,0,0,0|0,1,0]=3 10433 B12R1.1631 C=CCSc1c(cccc1Br)N 62a_100000210623_100020590159 [0,2,0,0,0,0|0,1,0]=3 10434 B12R1.1631 C=CCSc1c(cccc1Br)N 62a_100020590159_100000210623 [0,2,0,0,0,0|0,1,0]=3 10435 B12R1.1631 C=CCSc1c(cccc1Br)O 62a_100000210623_100010187912 [0,2,0,0,0,0|0,1,0]=3 10436 B12R1.1631 C=CCSc1c(cccc1Br)O 62a_100010187912_100000210623 [0,2,0,0,0,0|0,1,0]=3 10437 B12R1.1631 C=CCSc1c(cccc1C)C 62a_100000033847_100000210623 [0,2,0,0,0,0|0,1,0]=3 10438 B12R1.1631 C=CCSc1c(cccc1C)C 62a_100000210623_100000033847 [0,2,0,0,0,0|0,1,0]=3 10439 B12R1.1631 C=CCSc1c(cccc1Cl)C 62a_100000043165_100000210623 [0,2,0,0,0,0|0,1,0]=3 10440 B12R1.1631 C=CCSc1c(cccc1Cl)C 62a_100000210623_100000043165 [0,2,0,0,0,0|0,1,0]=3 10441 B12R1.1631 C=CCSc1c(cccc1Cl)Cl 62a_100000034237_100000210623 [0,2,0,0,0,0|0,1,0]=3 10442 B12R1.1631 C=CCSc1c(cccc1Cl)Cl 62a_100000210623_100000034237 [0,2,0,0,0,0|0,1,0]=3 10443 B12R1.1631 C=CCSc1c(cccc1Cl)F 62a_100000050007_100000210623 [0,2,0,0,0,0|0,1,0]=3 10444 B12R1.1631 C=CCSc1c(cccc1Cl)F 62a_100000210623_100000050007 [0,2,0,0,0,0|0,1,0]=3 10445 B12R1.1631 C=CCSc1c(cccc1Cl)N 62a_100000049713_100000210623 [0,2,0,0,0,0|0,1,0]=3 10446 B12R1.1631 C=CCSc1c(cccc1Cl)N 62a_100000210623_100000049713 [0,2,0,0,0,0|0,1,0]=3 10447 B12R1.1631 C=CCSc1c(cccc1Cl)O 62a_100000210623_100000050174 [0,2,0,0,0,0|0,1,0]=3 10448 B12R1.1631 C=CCSc1c(cccc1F)C 62a_100000210623_100011218421 [0,2,0,0,0,0|0,1,0]=3 10449 B12R1.1631 C=CCSc1c(cccc1F)C 62a_100011218421_100000210623 [0,2,0,0,0,0|0,1,0]=3 10450 B12R1.1631 C=CCSc1c(cccc1F)F 62a_100000210623_100000693133 [0,2,0,0,0,0|0,1,0]=3 10451 B12R1.1631 C=CCSc1c(cccc1F)F 62a_100000693133_100000210623 [0,2,0,0,0,0|0,1,0]=3 10452 B12R1.1631 C=CCSc1c(cccc1F)N 62a_100000210623_100000690935 [0,2,0,0,0,0|0,1,0]=3 10453 B12R1.1631 C=CCSc1c(cccc1F)N 62a_100000690935_100000210623 [0,2,0,0,0,0|0,1,0]=3 10454 B12R1.1631 C=CCSc1c(cccc1F)O 62a_100000210623_100009820682 [0,2,0,0,0,0|0,1,0]=3 10455 B12R1.1631 C=CCSc1c(cccc1F)O 62a_100009820682_100000210623 [0,2,0,0,0,0|0,1,0]=3 10456 B12R1.1631 C=CCSc1c(cccc1N)C 62a_100000210623_100000684715 [0,2,0,0,0,0|0,1,0]=3 10457 B12R1.1631 C=CCSc1c(cccc1N)C 62a_100000684715_100000210623 [0,2,0,0,0,0|0,1,0]=3 10458 B12R1.1631 C=CCSc1c(cccc1O)C 62a_100000210623_100000686692 [0,2,0,0,0,0|0,1,0]=3 10459 B12R1.1631 C=CCSc1c(cccc1O)C 62a_100000686692_100000210623 [0,2,0,0,0,0|0,1,0]=3 10460 B12R1.1631 C=CCSc1c(cccc1O)N 62a_100000210623_100012183704 [0,2,0,0,0,0|0,1,0]=3 10461 B12R1.1631 C=CCSc1c(cccc1O)N 62a_100012183704_100000210623 [0,2,0,0,0,0|0,1,0]=3 10462 B12R1.1631 C=CCSc1c(cccc1O)O 62a_100000210623_100010205330 [0,2,0,0,0,0|0,1,0]=3 10463 B12R1.1631 C=CCSc1c(ccnc1C)C 62a_100000210623_100012000501 [0,2,0,0,0,0|1,1,0]=4 10464 B12R1.1631 C=CCSc1c(ccnc1C)C 62a_100012000501_100000210623 [0,2,0,0,0,0|1,1,0]=4 10465 B12R1.1631 C=CCSc1c(ccnc1C)N 62a_100000210623_100010243816 [0,2,0,0,0,0|1,1,0]=4 10466 B12R1.1631 C=CCSc1c(ccnc1C)N 62a_100010243816_100000210623 [0,2,0,0,0,0|1,1,0]=4 10467 B12R1.1631 C=CCSc1c(ccnc1Cl)Br 62a_100000210623_100009814607 [0,2,0,0,0,0|1,1,0]=4 10468 B12R1.1631 C=CCSc1c(ccnc1Cl)Br 62a_100009814607_100000210623 [0,2,0,0,0,0|1,1,0]=4 10469 B12R1.1631 C=CCSc1c(ccnc1Cl)C 62a_100000210623_100010248874 [0,2,0,0,0,0|1,1,0]=4 10470 B12R1.1631 C=CCSc1c(ccnc1Cl)C 62a_100010248874_100000210623 [0,2,0,0,0,0|1,1,0]=4 10471 B12R1.1631 C=CCSc1c(ccnc1Cl)Cl 62a_100000050019_100000210623 [0,2,0,0,0,0|1,1,0]=4 10472 B12R1.1631 C=CCSc1c(ccnc1Cl)Cl 62a_100000210623_100000050019 [0,2,0,0,0,0|1,1,0]=4 10473 B12R1.1631 C=CCSc1c(ccnc1Cl)F 62a_100000210623_100000716511 [0,2,0,0,0,0|1,1,0]=4 10474 B12R1.1631 C=CCSc1c(ccnc1Cl)F 62a_100000716511_100000210623 [0,2,0,0,0,0|1,1,0]=4 10475 B12R1.1631 C=CCSc1c(ccnc1Cl)N 62a_100000210623_100010208016 [0,2,0,0,0,0|1,1,0]=4 10476 B12R1.1631 C=CCSc1c(ccnc1Cl)N 62a_100010208016_100000210623 [0,2,0,0,0,0|1,1,0]=4 10477 B12R1.1631 C=CCSc1c(ccnc1F)C 62a_100000210623_100009818256 [0,2,0,0,0,0|1,1,0]=4 10478 B12R1.1631 C=CCSc1c(ccnc1F)C 62a_100009818256_100000210623 [0,2,0,0,0,0|1,1,0]=4 10479 B12R1.1631 C=CCSc1c(ccnc1F)F 62a_100000210623_100009874084 [0,2,0,0,0,0|1,1,0]=4 10480 B12R1.1631 C=CCSc1c(ccnc1F)F 62a_100009874084_100000210623 [0,2,0,0,0,0|1,1,0]=4 10481 B12R1.1631 C=CCSc1c(ccnc1F)N 62a_100000210623_100010381272 [0,2,0,0,0,0|1,1,0]=4 10482 B12R1.1631 C=CCSc1c(ccnc1F)N 62a_100010381272_100000210623 [0,2,0,0,0,0|1,1,0]=4 10483 B12R1.1631 C=CCSc1c(ccnc1N)C 62a_100000210623_100011998619 [0,2,0,0,0,0|1,1,0]=4 10484 B12R1.1631 C=CCSc1c(ccnc1N)C 62a_100011998619_100000210623 [0,2,0,0,0,0|1,1,0]=4 10485 B12R1.1631 C=CCSc1c(ccnc1N)Cl 62a_100000210623_100010199028 [0,2,0,0,0,0|1,1,0]=4 10486 B12R1.1631 C=CCSc1c(ccnc1N)Cl 62a_100010199028_100000210623 [0,2,0,0,0,0|1,1,0]=4 10487 B12R1.1631 C=CCSc1c(ccnc1O)C 62a_100000210623_100012000493 [0,2,0,0,0,0|1,1,0]=4 10488 B12R1.1631 C=CCSc1c(ccnc1O)C 62a_100012000493_100000210623 [0,2,0,0,0,0|1,1,0]=4 10489 B12R1.1631 C=CCSc1c(ccnc1O)O 62a_100000210623_200009817435 [0,2,0,0,0,0|1,1,0]=4 10490 B12R1.1631 C=CCSc1c(cncc1Br)Br 62a_100000210623_100010172828 [0,2,0,0,0,0|1,1,0]=4 10491 B12R1.1631 C=CCSc1c(cncc1Br)Br 62a_100010172828_100000210623 [0,2,0,0,0,0|1,1,0]=4 10492 B12R1.1631 C=CCSc1c(cncc1C)C 62a_100000210623_100009817138 [0,2,0,0,0,0|1,1,0]=4 10493 B12R1.1631 C=CCSc1c(cncc1C)C 62a_100009817138_100000210623 [0,2,0,0,0,0|1,1,0]=4 10494 B12R1.1631 C=CCSc1c(cncc1Cl)Cl 62a_100000036193_100000210623 [0,2,0,0,0,0|1,1,0]=4 10495 B12R1.1631 C=CCSc1c(cncc1Cl)Cl 62a_100000210623_100000036193 [0,2,0,0,0,0|1,1,0]=4 10496 B12R1.1631 C=CCSc1c(cncc1F)F 62a_100000210623_100000760538 [0,2,0,0,0,0|1,1,0]=4 10497 B12R1.1631 C=CCSc1c(cncc1F)F 62a_100000760538_100000210623 [0,2,0,0,0,0|1,1,0]=4 10498 B12R1.1631 CCCOc1c(cccc1Br)Br 34a_100000736428_100000210303 [0,2,0,0,0,0|0,0,2]=4 10499 B12R1.1631 CCCOc1c(cccc1Br)Br 7a_100000736428_100000210303 [0,2,0,0,0,0|0,0,2]=4 10500 B12R1.1631 CCCOc1c(cccc1Br)C 34a_100009817157_100000210303 [0,2,0,0,0,0|0,0,2]=4 10501 B12R1.1631 CCCOc1c(cccc1Br)C 7a_100009817157_100000210303 [0,2,0,0,0,0|0,0,2]=4 10502 B12R1.1631 CCCOc1c(cccc1Br)Cl 34a_100010214474_100000210303 [0,2,0,0,0,0|0,0,2]=4 10503 B12R1.1631 CCCOc1c(cccc1Br)Cl 7a_100010214474_100000210303 [0,2,0,0,0,0|0,0,2]=4 10504 B12R1.1631 CCCOc1c(cccc1Br)F 34a_100009813666_100000210303 [0,2,0,0,0,0|0,0,2]=4 10505 B12R1.1631 CCCOc1c(cccc1Br)F 7a_100009813666_100000210303 [0,2,0,0,0,0|0,0,2]=4 10506 B12R1.1631 CCCOc1c(cccc1Br)N 34a_100011934915_100000210303 [0,2,0,0,0,0|0,0,2]=4 10507 B12R1.1631 CCCOc1c(cccc1C)C 34a_100000210341_100000210303 [0,2,0,0,0,0|0,0,2]=4 10508 B12R1.1631 CCCOc1c(cccc1C)C 7a_100000210341_100000210303 [0,2,0,0,0,0|0,0,2]=4 10509 B12R1.1631 CCCOc1c(cccc1Cl)C 34a_100000033731_100000210303 [0,2,0,0,0,0|0,0,2]=4 10510 B12R1.1631 CCCOc1c(cccc1Cl)C 7a_100000033731_100000210303 [0,2,0,0,0,0|0,0,2]=4 10511 B12R1.1631 CCCOc1c(cccc1Cl)Cl 34a_100000211709_100000210303 [0,2,0,0,0,0|0,0,2]=4 10512 B12R1.1631 CCCOc1c(cccc1Cl)Cl 7a_100000211709_100000210303 [0,2,0,0,0,0|0,0,2]=4 10513 B12R1.1631 CCCOc1c(cccc1Cl)F 34a_100000694953_100000210303 [0,2,0,0,0,0|0,0,2]=4 10514 B12R1.1631 CCCOc1c(cccc1Cl)F 7a_100000694953_100000210303 [0,2,0,0,0,0|0,0,2]=4 10515 B12R1.1631 CCCOc1c(cccc1Cl)N 34a_100000754742_100000210303 [0,2,0,0,0,0|0,0,2]=4 10516 B12R1.1631 CCCOc1c(cccc1F)C 34a_100011659162_100000210303 [0,2,0,0,0,0|0,0,2]=4 10517 B12R1.1631 CCCOc1c(cccc1F)C 7a_100011659162_100000210303 [0,2,0,0,0,0|0,0,2]=4 10518 B12R1.1631 CCCOc1c(cccc1F)F 34a_100000230165_100000210303 [0,2,0,0,0,0|0,0,2]=4 10519 B12R1.1631 CCCOc1c(cccc1F)F 7a_100000230165_100000210303 [0,2,0,0,0,0|0,0,2]=4 10520 B12R1.1631 CCCOc1c(cccc1F)N 34a_100011934987_100000210303 [0,2,0,0,0,0|0,0,2]=4 10521 B12R1.1631 CCCOc1c(cccc1I)Br 34a_100010084509_100000210303 [0,2,0,0,0,0|0,0,2]=4 10522 B12R1.1631 CCCOc1c(cccc1I)Br 7a_100010084509_100000210303 [0,2,0,0,0,0|0,0,2]=4 10523 B12R1.1631 CCCOc1c(cccc1I)Cl 34a_100010202889_100000210303 [0,2,0,0,0,0|0,0,2]=4 10524 B12R1.1631 CCCOc1c(cccc1I)Cl 7a_100010202889_100000210303 [0,2,0,0,0,0|0,0,2]=4 10525 B12R1.1631 CCCOc1c(cccc1I)F 34a_100010186298_100000210303 [0,2,0,0,0,0|0,0,2]=4 10526 B12R1.1631 CCCOc1c(cccc1I)F 7a_100010186298_100000210303 [0,2,0,0,0,0|0,0,2]=4 10527 B12R1.1631 CCCOc1c(cccc1I)N 34a_100010084371_100000210303 [0,2,0,0,0,0|0,0,2]=4 10528 B12R1.1631 CCCOc1c(cccc1N)C 34a_100000756359_100000210303 [0,2,0,0,0,0|0,0,2]=4 10529 B12R1.1631 CCCOc1c(cccc1N)C 7a_100000756359_100000210303 [0,2,0,0,0,0|0,0,2]=4 10530 B12R1.1631 CCCOc1c(cccc1N)N 34a_200016994477_100000210303 [0,2,0,0,0,0|0,0,2]=4 10531 B12R1.1631 CSCOc1c(cccc1Br)Br 34a_100000736428_100011218213 [0,2,0,0,0,0|1,0,1]=4 10532 B12R1.1631 CSCOc1c(cccc1Br)C 34a_100009817157_100011218213 [0,2,0,0,0,0|1,0,1]=4 10533 B12R1.1631 CSCOc1c(cccc1Br)Cl 34a_100010214474_100011218213 [0,2,0,0,0,0|1,0,1]=4 10534 B12R1.1631 CSCOc1c(cccc1Br)F 34a_100009813666_100011218213 [0,2,0,0,0,0|1,0,1]=4 10535 B12R1.1631 CSCOc1c(cccc1Br)N 34a_100011934915_100011218213 [0,2,0,0,0,0|1,0,1]=4 10536 B12R1.1631 CSCOc1c(cccc1C)C 34a_100000210341_100011218213 [0,2,0,0,0,0|1,0,1]=4 10537 B12R1.1631 CSCOc1c(cccc1Cl)C 34a_100000033731_100011218213 [0,2,0,0,0,0|1,0,1]=4 10538 B12R1.1631 CSCOc1c(cccc1Cl)Cl 34a_100000211709_100011218213 [0,2,0,0,0,0|1,0,1]=4 10539 B12R1.1631 CSCOc1c(cccc1Cl)F 34a_100000694953_100011218213 [0,2,0,0,0,0|1,0,1]=4 10540 B12R1.1631 CSCOc1c(cccc1Cl)N 34a_100000754742_100011218213 [0,2,0,0,0,0|1,0,1]=4 10541 B12R1.1631 CSCOc1c(cccc1F)C 34a_100011659162_100011218213 [0,2,0,0,0,0|1,0,1]=4 10542 B12R1.1631 CSCOc1c(cccc1F)F 34a_100000230165_100011218213 [0,2,0,0,0,0|1,0,1]=4 10543 B12R1.1631 CSCOc1c(cccc1F)N 34a_100011934987_100011218213 [0,2,0,0,0,0|1,0,1]=4 10544 B12R1.1631 CSCOc1c(cccc1I)Br 34a_100010084509_100011218213 [0,2,0,0,0,0|1,0,1]=4 10545 B12R1.1631 CSCOc1c(cccc1I)Cl 34a_100010202889_100011218213 [0,2,0,0,0,0|1,0,1]=4 10546 B12R1.1631 CSCOc1c(cccc1I)F 34a_100010186298_100011218213 [0,2,0,0,0,0|1,0,1]=4 10547 B12R1.1631 CSCOc1c(cccc1I)N 34a_100010084371_100011218213 [0,2,0,0,0,0|1,0,1]=4 10548 B12R1.1631 CSCOc1c(cccc1N)C 34a_100000756359_100011218213 [0,2,0,0,0,0|1,0,1]=4 10549 B12R1.1631 CSCOc1c(cccc1N)N 34a_200016994477_100011218213 [0,2,0,0,0,0|1,0,1]=4 10550 B12R1.1631 Cc1cccc(c1NCC=O)Br 34a_100011834072_200009817547 [0,2,0,0,0,0|2,0,0]=4 10551 B12R1.1631 Cc1cccc(c1NCC=O)C 34a_100000185769_200009817547 [0,2,0,0,0,0|2,0,0]=4 10552 B12R1.1631 Cc1cccc(c1NCC=O)Cl 34a_100000756524_200009817547 [0,2,0,0,0,0|2,0,0]=4 10553 B12R1.1631 Cc1cccc(c1NCC=O)F 34a_100000766463_200009817547 [0,2,0,0,0,0|2,0,0]=4 10554 B12R1.1631 Cc1cccc(c1NCC=O)O 34a_100000743429_200009817547 [0,2,0,0,0,0|2,0,0]=4 10555 B12R1.1631 Cc1cccc(c1OCC#N)Br 7a_100009817157_100011215382 [0,2,0,0,0,0|1,0,1]=4 10556 B12R1.1631 Cc1cccc(c1OCC#N)C 7a_100000210341_100011215382 [0,2,0,0,0,0|1,0,1]=4 10557 B12R1.1631 Cc1cccc(c1OCC#N)Cl 7a_100000033731_100011215382 [0,2,0,0,0,0|1,0,1]=4 10558 B12R1.1631 Cc1cccc(c1OCC#N)F 7a_100011659162_100011215382 [0,2,0,0,0,0|1,0,1]=4 10559 B12R1.1631 Cc1cccc(c1OCC#N)N 7a_100000756359_100011215382 [0,2,0,0,0,0|1,0,1]=4 10560 B12R1.1631 Cc1cccc(c1OCC=O)Br 34a_100009817157_200009817547 [0,2,0,0,0,0|1,0,0]=3 10561 B12R1.1631 Cc1cccc(c1OCC=O)Br 7a_100009817157_200015260668 [0,2,0,0,0,0|1,0,0]=3 10562 B12R1.1631 Cc1cccc(c1OCC=O)C 34a_100000210341_200009817547 [0,2,0,0,0,0|1,0,0]=3 10563 B12R1.1631 Cc1cccc(c1OCC=O)C 7a_100000210341_200015260668 [0,2,0,0,0,0|1,0,0]=3 10564 B12R1.1631 Cc1cccc(c1OCC=O)Cl 34a_100000033731_200009817547 [0,2,0,0,0,0|1,0,0]=3 10565 B12R1.1631 Cc1cccc(c1OCC=O)Cl 7a_100000033731_200015260668 [0,2,0,0,0,0|1,0,0]=3 10566 B12R1.1631 Cc1cccc(c1OCC=O)F 34a_100011659162_200009817547 [0,2,0,0,0,0|1,0,0]=3 10567 B12R1.1631 Cc1cccc(c1OCC=O)F 7a_100011659162_200015260668 [0,2,0,0,0,0|1,0,0]=3 10568 B12R1.1631 Cc1cccc(c1OCC=O)N 34a_100000756359_200009817547 [0,2,0,0,0,0|1,0,0]=3 10569 B12R1.1631 Cc1cccc(c1OCC=O)N 7a_100000756359_200015260668 [0,2,0,0,0,0|1,0,0]=3 10570 B12R1.1631 Cc1cccc(c1OCCF)Br 34a_100009817157_100011217306 [0,2,0,0,0,0|1,0,1]=4 10571 B12R1.1631 Cc1cccc(c1OCCF)Br 7a_100009817157_100011217306 [0,2,0,0,0,0|1,0,1]=4 10572 B12R1.1631 Cc1cccc(c1OCCF)C 34a_100000210341_100011217306 [0,2,0,0,0,0|1,0,1]=4 10573 B12R1.1631 Cc1cccc(c1OCCF)C 7a_100000210341_100011217306 [0,2,0,0,0,0|1,0,1]=4 10574 B12R1.1631 Cc1cccc(c1OCCF)Cl 34a_100000033731_100011217306 [0,2,0,0,0,0|1,0,1]=4 10575 B12R1.1631 Cc1cccc(c1OCCF)Cl 7a_100000033731_100011217306 [0,2,0,0,0,0|1,0,1]=4 10576 B12R1.1631 Cc1cccc(c1OCCF)F 34a_100011659162_100011217306 [0,2,0,0,0,0|1,0,1]=4 10577 B12R1.1631 Cc1cccc(c1OCCF)F 7a_100011659162_100011217306 [0,2,0,0,0,0|1,0,1]=4 10578 B12R1.1631 Cc1cccc(c1OCCF)N 34a_100000756359_100011217306 [0,2,0,0,0,0|1,0,1]=4 10579 B12R1.1631 Cc1cccc(c1OCCF)N 7a_100000756359_100011217306 [0,2,0,0,0,0|1,0,1]=4 10580 B12R1.1631 Cc1cccc(c1OCCO)Br 34a_100009817157_100000211926 [0,2,0,0,0,0|1,0,1]=4 10581 B12R1.1631 Cc1cccc(c1OCCO)Br 7a_100009817157_100000211926 [0,2,0,0,0,0|1,0,1]=4 10582 B12R1.1631 Cc1cccc(c1OCCO)C 34a_100000210341_100000211926 [0,2,0,0,0,0|1,0,1]=4 10583 B12R1.1631 Cc1cccc(c1OCCO)C 7a_100000210341_100000211926 [0,2,0,0,0,0|1,0,1]=4 10584 B12R1.1631 Cc1cccc(c1OCCO)Cl 34a_100000033731_100000211926 [0,2,0,0,0,0|1,0,1]=4 10585 B12R1.1631 Cc1cccc(c1OCCO)Cl 7a_100000033731_100000211926 [0,2,0,0,0,0|1,0,1]=4 10586 B12R1.1631 Cc1cccc(c1OCCO)F 34a_100011659162_100000211926 [0,2,0,0,0,0|1,0,1]=4 10587 B12R1.1631 Cc1cccc(c1OCCO)F 7a_100011659162_100000211926 [0,2,0,0,0,0|1,0,1]=4 10588 B12R1.1631 Cc1cccc(c1OCCO)N 34a_100000756359_100000211926 [0,2,0,0,0,0|1,0,1]=4 10589 B12R1.1631 Cc1cccc(c1OCCO)N 7a_100000756359_100000211926 [0,2,0,0,0,0|1,0,1]=4 10590 B12R1.1631 Cc1cccc(c1SCC=O)Br 62a_100010141302_200015260668 [0,2,0,0,0,0|1,1,0]=4 10591 B12R1.1631 Cc1cccc(c1SCC=O)Br 62a_200015260668_100010141302 [0,2,0,0,0,0|1,1,0]=4 10592 B12R1.1631 Cc1cccc(c1SCC=O)C 62a_100000033847_200015260668 [0,2,0,0,0,0|1,1,0]=4 10593 B12R1.1631 Cc1cccc(c1SCC=O)C 62a_200015260668_100000033847 [0,2,0,0,0,0|1,1,0]=4 10594 B12R1.1631 Cc1cccc(c1SCC=O)Cl 62a_100000043165_200015260668 [0,2,0,0,0,0|1,1,0]=4 10595 B12R1.1631 Cc1cccc(c1SCC=O)Cl 62a_200015260668_100000043165 [0,2,0,0,0,0|1,1,0]=4 10596 B12R1.1631 Cc1cccc(c1SCC=O)F 62a_100011218421_200015260668 [0,2,0,0,0,0|1,1,0]=4 10597 B12R1.1631 Cc1cccc(c1SCC=O)F 62a_200015260668_100011218421 [0,2,0,0,0,0|1,1,0]=4 10598 B12R1.1631 Cc1cccc(c1SCC=O)N 62a_100000684715_200015260668 [0,2,0,0,0,0|1,1,0]=4 10599 B12R1.1631 Cc1cccc(c1SCC=O)N 62a_200015260668_100000684715 [0,2,0,0,0,0|1,1,0]=4 10600 B12R1.1631 Cc1cccc(c1SCC=O)O 62a_100000686692_200015260668 [0,2,0,0,0,0|1,1,0]=4 10601 B12R1.1631 Cc1cccc(c1SCC=O)O 62a_200015260668_100000686692 [0,2,0,0,0,0|1,1,0]=4 10602 B12R1.1631 Cc1ccnc(c1OCC=O)C 34a_100011934651_200009817547 [0,2,0,0,0,0|2,0,0]=4 10603 B12R1.1631 Cc1ccnc(c1OCC=O)C 7a_100011934651_200015260668 [0,2,0,0,0,0|2,0,0]=4 10604 B12R1.1631 Cc1ccnc(c1OCC=O)Cl 34a_100000696282_200009817547 [0,2,0,0,0,0|2,0,0]=4 10605 B12R1.1631 Cc1ccnc(c1OCC=O)Cl 7a_100000696282_200015260668 [0,2,0,0,0,0|2,0,0]=4 10606 B12R1.1631 Cc1occc(=O)c1OCC=O 34a_100000031901_200009817547 [0,2,0,0,0,0|2,0,0]=4 10607 B12R1.1631 FCCOc1c(cccc1Br)Br 34a_100000736428_100011217306 [0,2,0,0,0,0|1,0,1]=4 10608 B12R1.1631 FCCOc1c(cccc1Br)Br 7a_100000736428_100011217306 [0,2,0,0,0,0|1,0,1]=4 10609 B12R1.1631 FCCOc1c(cccc1Br)Cl 34a_100010214474_100011217306 [0,2,0,0,0,0|1,0,1]=4 10610 B12R1.1631 FCCOc1c(cccc1Br)Cl 7a_100010214474_100011217306 [0,2,0,0,0,0|1,0,1]=4 10611 B12R1.1631 FCCOc1c(cccc1Br)F 34a_100009813666_100011217306 [0,2,0,0,0,0|1,0,1]=4 10612 B12R1.1631 FCCOc1c(cccc1Br)F 7a_100009813666_100011217306 [0,2,0,0,0,0|1,0,1]=4 10613 B12R1.1631 FCCOc1c(cccc1Cl)Cl 34a_100000211709_100011217306 [0,2,0,0,0,0|1,0,1]=4 10614 B12R1.1631 FCCOc1c(cccc1Cl)Cl 7a_100000211709_100011217306 [0,2,0,0,0,0|1,0,1]=4 10615 B12R1.1631 FCCOc1c(cccc1Cl)F 34a_100000694953_100011217306 [0,2,0,0,0,0|1,0,1]=4 10616 B12R1.1631 FCCOc1c(cccc1Cl)F 7a_100000694953_100011217306 [0,2,0,0,0,0|1,0,1]=4 10617 B12R1.1631 FCCOc1c(cccc1F)F 34a_100000230165_100011217306 [0,2,0,0,0,0|1,0,1]=4 10618 B12R1.1631 FCCOc1c(cccc1F)F 7a_100000230165_100011217306 [0,2,0,0,0,0|1,0,1]=4 10619 B12R1.1631 FCCOc1c(cccc1I)Br 34a_100010084509_100011217306 [0,2,0,0,0,0|1,0,1]=4 10620 B12R1.1631 FCCOc1c(cccc1I)Br 7a_100010084509_100011217306 [0,2,0,0,0,0|1,0,1]=4 10621 B12R1.1631 FCCOc1c(cccc1I)Cl 34a_100010202889_100011217306 [0,2,0,0,0,0|1,0,1]=4 10622 B12R1.1631 FCCOc1c(cccc1I)Cl 7a_100010202889_100011217306 [0,2,0,0,0,0|1,0,1]=4 10623 B12R1.1631 FCCOc1c(cccc1I)F 34a_100010186298_100011217306 [0,2,0,0,0,0|1,0,1]=4 10624 B12R1.1631 FCCOc1c(cccc1I)F 7a_100010186298_100011217306 [0,2,0,0,0,0|1,0,1]=4 10625 B12R1.1631 N#CCOc1c(cccc1Br)Br 7a_100000736428_100011215382 [0,2,0,0,0,0|1,0,1]=4 10626 B12R1.1631 N#CCOc1c(cccc1Br)Cl 7a_100010214474_100011215382 [0,2,0,0,0,0|1,0,1]=4 10627 B12R1.1631 N#CCOc1c(cccc1Br)F 7a_100009813666_100011215382 [0,2,0,0,0,0|1,0,1]=4 10628 B12R1.1631 N#CCOc1c(cccc1Cl)Cl 7a_100000211709_100011215382 [0,2,0,0,0,0|1,0,1]=4 10629 B12R1.1631 N#CCOc1c(cccc1Cl)F 7a_100000694953_100011215382 [0,2,0,0,0,0|1,0,1]=4 10630 B12R1.1631 N#CCOc1c(cccc1F)F 7a_100000230165_100011215382 [0,2,0,0,0,0|1,0,1]=4 10631 B12R1.1631 N#CCOc1c(cccc1I)Br 7a_100010084509_100011215382 [0,2,0,0,0,0|1,0,1]=4 10632 B12R1.1631 N#CCOc1c(cccc1I)Cl 7a_100010202889_100011215382 [0,2,0,0,0,0|1,0,1]=4 10633 B12R1.1631 N#CCOc1c(cccc1I)F 7a_100010186298_100011215382 [0,2,0,0,0,0|1,0,1]=4 10634 B12R1.1631 Nc1cccc(c1OCC=O)Br 34a_100011934915_200009817547 [0,2,0,0,0,0|1,0,0]=3 10635 B12R1.1631 Nc1cccc(c1OCC=O)Cl 34a_100000754742_200009817547 [0,2,0,0,0,0|1,0,0]=3 10636 B12R1.1631 Nc1cccc(c1OCC=O)F 34a_100011934987_200009817547 [0,2,0,0,0,0|1,0,0]=3 10637 B12R1.1631 Nc1cccc(c1OCC=O)I 34a_100010084371_200009817547 [0,2,0,0,0,0|1,0,0]=3 10638 B12R1.1631 Nc1cccc(c1OCC=O)N 34a_200016994477_200009817547 [0,2,0,0,0,0|1,0,0]=3 10639 B12R1.1631 Nc1cccc(c1OCCF)Br 34a_100011934915_100011217306 [0,2,0,0,0,0|1,0,1]=4 10640 B12R1.1631 Nc1cccc(c1OCCF)Cl 34a_100000754742_100011217306 [0,2,0,0,0,0|1,0,1]=4 10641 B12R1.1631 Nc1cccc(c1OCCF)F 34a_100011934987_100011217306 [0,2,0,0,0,0|1,0,1]=4 10642 B12R1.1631 Nc1cccc(c1OCCF)I 34a_100010084371_100011217306 [0,2,0,0,0,0|1,0,1]=4 10643 B12R1.1631 Nc1cccc(c1OCCF)N 34a_200016994477_100011217306 [0,2,0,0,0,0|1,0,1]=4 10644 B12R1.1631 Nc1cccc(c1OCCO)Br 34a_100011934915_100000211926 [0,2,0,0,0,0|1,0,1]=4 10645 B12R1.1631 Nc1cccc(c1OCCO)Cl 34a_100000754742_100000211926 [0,2,0,0,0,0|1,0,1]=4 10646 B12R1.1631 Nc1cccc(c1OCCO)F 34a_100011934987_100000211926 [0,2,0,0,0,0|1,0,1]=4 10647 B12R1.1631 Nc1cccc(c1OCCO)I 34a_100010084371_100000211926 [0,2,0,0,0,0|1,0,1]=4 10648 B12R1.1631 Nc1cccc(c1OCCO)N 34a_200016994477_100000211926 [0,2,0,0,0,0|1,0,1]=4 10649 B12R1.1631 Nc1cccc(c1SCC=O)Br 62a_100020590159_200015260668 [0,2,0,0,0,0|1,1,0]=4 10650 B12R1.1631 Nc1cccc(c1SCC=O)Br 62a_200015260668_100020590159 [0,2,0,0,0,0|1,1,0]=4 10651 B12R1.1631 Nc1cccc(c1SCC=O)Cl 62a_100000049713_200015260668 [0,2,0,0,0,0|1,1,0]=4 10652 B12R1.1631 Nc1cccc(c1SCC=O)Cl 62a_200015260668_100000049713 [0,2,0,0,0,0|1,1,0]=4 10653 B12R1.1631 Nc1cccc(c1SCC=O)F 62a_100000690935_200015260668 [0,2,0,0,0,0|1,1,0]=4 10654 B12R1.1631 Nc1cccc(c1SCC=O)F 62a_200015260668_100000690935 [0,2,0,0,0,0|1,1,0]=4 10655 B12R1.1631 Nc1cccc(c1SCC=O)O 62a_100012183704_200015260668 [0,2,0,0,0,0|1,1,0]=4 10656 B12R1.1631 Nc1cccc(c1SCC=O)O 62a_200015260668_100012183704 [0,2,0,0,0,0|1,1,0]=4 10657 B12R1.1631 Nc1ccnc(c1OCC=O)Cl 34a_100009844647_200009817547 [0,2,0,0,0,0|2,0,0]=4 10658 B12R1.1631 Nc1ccnc(c1OCC=O)Cl 7a_100009844647_200015260668 [0,2,0,0,0,0|2,0,0]=4 10659 B12R1.1631 O=CCNc1c(cccc1Br)Br 34a_100000690995_200009817547 [0,2,0,0,0,0|2,0,0]=4 10660 B12R1.1631 O=CCNc1c(cccc1Br)Cl 34a_100102946385_200009817547 [0,2,0,0,0,0|2,0,0]=4 10661 B12R1.1631 O=CCNc1c(cccc1Br)F 34a_100000684712_200009817547 [0,2,0,0,0,0|2,0,0]=4 10662 B12R1.1631 O=CCNc1c(cccc1Br)O 34a_100011934926_200009817547 [0,2,0,0,0,0|2,0,0]=4 10663 B12R1.1631 O=CCNc1c(cccc1Cl)Cl 34a_100000210028_200009817547 [0,2,0,0,0,0|2,0,0]=4 10664 B12R1.1631 O=CCNc1c(cccc1Cl)F 34a_100000760031_200009817547 [0,2,0,0,0,0|2,0,0]=4 10665 B12R1.1631 O=CCNc1c(cccc1Cl)O 34a_100012022510_200009817547 [0,2,0,0,0,0|2,0,0]=4 10666 B12R1.1631 O=CCNc1c(cccc1F)F 2230a_100000210704_200015260668 [0,2,0,0,0,0|2,0,0]=4 10667 B12R1.1631 O=CCNc1c(cccc1F)F 34a_100000210704_200009817547 [0,2,0,0,0,0|2,0,0]=4 10668 B12R1.1631 O=CCNc1c(cccc1F)O 34a_100020591140_200009817547 [0,2,0,0,0,0|2,0,0]=4 10669 B12R1.1631 O=CCNc1c(cccc1I)F 34a_100000042321_200009817547 [0,2,0,0,0,0|2,0,0]=4 10670 B12R1.1631 O=CCOc1c(cccc1Br)Br 34a_100000736428_200009817547 [0,2,0,0,0,0|1,0,0]=3 10671 B12R1.1631 O=CCOc1c(cccc1Br)Br 7a_100000736428_200015260668 [0,2,0,0,0,0|1,0,0]=3 10672 B12R1.1631 O=CCOc1c(cccc1Br)Cl 34a_100010214474_200009817547 [0,2,0,0,0,0|1,0,0]=3 10673 B12R1.1631 O=CCOc1c(cccc1Br)Cl 7a_100010214474_200015260668 [0,2,0,0,0,0|1,0,0]=3 10674 B12R1.1631 O=CCOc1c(cccc1Br)F 34a_100009813666_200009817547 [0,2,0,0,0,0|1,0,0]=3 10675 B12R1.1631 O=CCOc1c(cccc1Br)F 7a_100009813666_200015260668 [0,2,0,0,0,0|1,0,0]=3 10676 B12R1.1631 O=CCOc1c(cccc1Cl)Cl 34a_100000211709_200009817547 [0,2,0,0,0,0|1,0,0]=3 10677 B12R1.1631 O=CCOc1c(cccc1Cl)Cl 7a_100000211709_200015260668 [0,2,0,0,0,0|1,0,0]=3 10678 B12R1.1631 O=CCOc1c(cccc1Cl)F 34a_100000694953_200009817547 [0,2,0,0,0,0|1,0,0]=3 10679 B12R1.1631 O=CCOc1c(cccc1Cl)F 7a_100000694953_200015260668 [0,2,0,0,0,0|1,0,0]=3 10680 B12R1.1631 O=CCOc1c(cccc1F)F 34a_100000230165_200009817547 [0,2,0,0,0,0|1,0,0]=3 10681 B12R1.1631 O=CCOc1c(cccc1F)F 7a_100000230165_200015260668 [0,2,0,0,0,0|1,0,0]=3 10682 B12R1.1631 O=CCOc1c(cccc1I)Br 34a_100010084509_200009817547 [0,2,0,0,0,0|1,0,0]=3 10683 B12R1.1631 O=CCOc1c(cccc1I)Br 7a_100010084509_200015260668 [0,2,0,0,0,0|1,0,0]=3 10684 B12R1.1631 O=CCOc1c(cccc1I)Cl 34a_100010202889_200009817547 [0,2,0,0,0,0|1,0,0]=3 10685 B12R1.1631 O=CCOc1c(cccc1I)Cl 7a_100010202889_200015260668 [0,2,0,0,0,0|1,0,0]=3 10686 B12R1.1631 O=CCOc1c(cccc1I)F 34a_100010186298_200009817547 [0,2,0,0,0,0|1,0,0]=3 10687 B12R1.1631 O=CCOc1c(cccc1I)F 7a_100010186298_200015260668 [0,2,0,0,0,0|1,0,0]=3 10688 B12R1.1631 O=CCOc1c(ccnc1Cl)Cl 34a_100000118450_200009817547 [0,2,0,0,0,0|2,0,0]=4 10689 B12R1.1631 O=CCOc1c(ccnc1Cl)Cl 7a_100000118450_200015260668 [0,2,0,0,0,0|2,0,0]=4 10690 B12R1.1631 O=CCOc1c(ccnc1Cl)F 34a_100009867227_200009817547 [0,2,0,0,0,0|2,0,0]=4 10691 B12R1.1631 O=CCOc1c(ccnc1Cl)F 7a_100009867227_200015260668 [0,2,0,0,0,0|2,0,0]=4 10692 B12R1.1631 O=CCOc1c(ccnc1Cl)I 34a_100010067911_200009817547 [0,2,0,0,0,0|2,0,0]=4 10693 B12R1.1631 O=CCOc1c(ccnc1Cl)I 7a_100010067911_200015260668 [0,2,0,0,0,0|2,0,0]=4 10694 B12R1.1631 O=CCSc1c(cccc1Br)Br 62a_100009994525_200015260668 [0,2,0,0,0,0|1,1,0]=4 10695 B12R1.1631 O=CCSc1c(cccc1Br)Br 62a_200015260668_100009994525 [0,2,0,0,0,0|1,1,0]=4 10696 B12R1.1631 O=CCSc1c(cccc1Br)Cl 62a_100010214488_200015260668 [0,2,0,0,0,0|1,1,0]=4 10697 B12R1.1631 O=CCSc1c(cccc1Br)Cl 62a_200015260668_100010214488 [0,2,0,0,0,0|1,1,0]=4 10698 B12R1.1631 O=CCSc1c(cccc1Br)F 62a_100011219512_200015260668 [0,2,0,0,0,0|1,1,0]=4 10699 B12R1.1631 O=CCSc1c(cccc1Br)F 62a_200015260668_100011219512 [0,2,0,0,0,0|1,1,0]=4 10700 B12R1.1631 O=CCSc1c(cccc1Br)O 62a_100010187912_200015260668 [0,2,0,0,0,0|1,1,0]=4 10701 B12R1.1631 O=CCSc1c(cccc1Br)O 62a_200015260668_100010187912 [0,2,0,0,0,0|1,1,0]=4 10702 B12R1.1631 O=CCSc1c(cccc1Cl)Cl 62a_100000034237_200015260668 [0,2,0,0,0,0|1,1,0]=4 10703 B12R1.1631 O=CCSc1c(cccc1Cl)Cl 62a_200015260668_100000034237 [0,2,0,0,0,0|1,1,0]=4 10704 B12R1.1631 O=CCSc1c(cccc1Cl)F 62a_100000050007_200015260668 [0,2,0,0,0,0|1,1,0]=4 10705 B12R1.1631 O=CCSc1c(cccc1Cl)F 62a_200015260668_100000050007 [0,2,0,0,0,0|1,1,0]=4 10706 B12R1.1631 O=CCSc1c(cccc1Cl)O 62a_200015260668_100000050174 [0,2,0,0,0,0|1,1,0]=4 10707 B12R1.1631 O=CCSc1c(cccc1F)F 62a_100000693133_200015260668 [0,2,0,0,0,0|1,1,0]=4 10708 B12R1.1631 O=CCSc1c(cccc1F)F 62a_200015260668_100000693133 [0,2,0,0,0,0|1,1,0]=4 10709 B12R1.1631 O=CCSc1c(cccc1F)O 62a_100009820682_200015260668 [0,2,0,0,0,0|1,1,0]=4 10710 B12R1.1631 O=CCSc1c(cccc1F)O 62a_200015260668_100009820682 [0,2,0,0,0,0|1,1,0]=4 10711 B12R1.1631 O=CCSc1c(cccc1O)O 62a_200015260668_100010205330 [0,2,0,0,0,0|1,1,0]=4 10712 B12R1.1631 OCCOc1c(cccc1Br)Br 34a_100000736428_100000211926 [0,2,0,0,0,0|1,0,1]=4 10713 B12R1.1631 OCCOc1c(cccc1Br)Br 7a_100000736428_100000211926 [0,2,0,0,0,0|1,0,1]=4 10714 B12R1.1631 OCCOc1c(cccc1Br)Cl 34a_100010214474_100000211926 [0,2,0,0,0,0|1,0,1]=4 10715 B12R1.1631 OCCOc1c(cccc1Br)Cl 7a_100010214474_100000211926 [0,2,0,0,0,0|1,0,1]=4 10716 B12R1.1631 OCCOc1c(cccc1Br)F 34a_100009813666_100000211926 [0,2,0,0,0,0|1,0,1]=4 10717 B12R1.1631 OCCOc1c(cccc1Br)F 7a_100009813666_100000211926 [0,2,0,0,0,0|1,0,1]=4 10718 B12R1.1631 OCCOc1c(cccc1Cl)Cl 34a_100000211709_100000211926 [0,2,0,0,0,0|1,0,1]=4 10719 B12R1.1631 OCCOc1c(cccc1Cl)Cl 7a_100000211709_100000211926 [0,2,0,0,0,0|1,0,1]=4 10720 B12R1.1631 OCCOc1c(cccc1Cl)F 34a_100000694953_100000211926 [0,2,0,0,0,0|1,0,1]=4 10721 B12R1.1631 OCCOc1c(cccc1Cl)F 7a_100000694953_100000211926 [0,2,0,0,0,0|1,0,1]=4 10722 B12R1.1631 OCCOc1c(cccc1F)F 34a_100000230165_100000211926 [0,2,0,0,0,0|1,0,1]=4 10723 B12R1.1631 OCCOc1c(cccc1F)F 7a_100000230165_100000211926 [0,2,0,0,0,0|1,0,1]=4 10724 B12R1.1631 OCCOc1c(cccc1I)Br 34a_100010084509_100000211926 [0,2,0,0,0,0|1,0,1]=4 10725 B12R1.1631 OCCOc1c(cccc1I)Br 7a_100010084509_100000211926 [0,2,0,0,0,0|1,0,1]=4 10726 B12R1.1631 OCCOc1c(cccc1I)Cl 34a_100010202889_100000211926 [0,2,0,0,0,0|1,0,1]=4 10727 B12R1.1631 OCCOc1c(cccc1I)Cl 7a_100010202889_100000211926 [0,2,0,0,0,0|1,0,1]=4 10728 B12R1.1631 OCCOc1c(cccc1I)F 34a_100010186298_100000211926 [0,2,0,0,0,0|1,0,1]=4 10729 B12R1.1631 OCCOc1c(cccc1I)F 7a_100010186298_100000211926 [0,2,0,0,0,0|1,0,1]=4 10730 B12R1.28 BrCCOCc1cccc(c1)Br 34a_100000211926_100000698116 [0,2,0,0,0,0|1,0,1]=4 10731 B12R1.28 BrCCOCc1cccc(c1)I 34a_100000211926_100011218688 [0,2,0,0,0,0|1,0,1]=4 10732 B12R1.28 C#CCCOc1cccc(c1)Br 34a_100000210342_100000688953 [0,2,0,0,0,0|0,0,2]=4 10733 B12R1.28 C#CCCOc1cccc(c1)Br 7a_100000210342_100000688953 [0,2,0,0,0,0|0,0,2]=4 10734 B12R1.28 C#CCCOc1cccc(c1)C 34a_100000210337_100000688953 [0,2,0,0,0,0|0,0,2]=4 10735 B12R1.28 C#CCCOc1cccc(c1)C 7a_100000210337_100000688953 [0,2,0,0,0,0|0,0,2]=4 10736 B12R1.28 C#CCCOc1cccc(c1)Cl 34a_100000210295_100000688953 [0,2,0,0,0,0|0,0,2]=4 10737 B12R1.28 C#CCCOc1cccc(c1)Cl 7a_100000210295_100000688953 [0,2,0,0,0,0|0,0,2]=4 10738 B12R1.28 C#CCCOc1cccc(c1)F 34a_100000210426_100000688953 [0,2,0,0,0,0|0,0,2]=4 10739 B12R1.28 C#CCCOc1cccc(c1)F 7a_100000210426_100000688953 [0,2,0,0,0,0|0,0,2]=4 10740 B12R1.28 C#CCCOc1cccc(c1)I 34a_100000211634_100000688953 [0,2,0,0,0,0|0,0,2]=4 10741 B12R1.28 C#CCCOc1cccc(c1)I 7a_100000211634_100000688953 [0,2,0,0,0,0|0,0,2]=4 10742 B12R1.28 C#CCCOc1cccc(c1)N 34a_100000210217_100000688953 [0,2,0,0,0,0|0,0,2]=4 10743 B12R1.28 C#CCOCc1cccc(c1)Br 34a_100000210247_100000698116 [0,2,0,0,0,0|0,0,2]=4 10744 B12R1.28 C#CCOCc1cccc(c1)Br 34a_100000687537_100000184674 [0,2,0,0,0,0|0,0,2]=4 10745 B12R1.28 C#CCOCc1cccc(c1)Br 7a_100000687537_100000038162 [0,2,0,0,0,0|0,0,2]=4 10746 B12R1.28 C#CCOCc1cccc(c1)C 34a_100000210247_100000211840 [0,2,0,0,0,0|0,0,2]=4 10747 B12R1.28 C#CCOCc1cccc(c1)C 34a_100011217746_100000184674 [0,2,0,0,0,0|0,0,2]=4 10748 B12R1.28 C#CCOCc1cccc(c1)C 7a_100011217746_100000038162 [0,2,0,0,0,0|0,0,2]=4 10749 B12R1.28 C#CCOCc1cccc(c1)Cl 34a_100000210247_100000187163 [0,2,0,0,0,0|0,0,2]=4 10750 B12R1.28 C#CCOCc1cccc(c1)Cl 34a_100000241301_100000184674 [0,2,0,0,0,0|0,0,2]=4 10751 B12R1.28 C#CCOCc1cccc(c1)Cl 7a_100000241301_100000038162 [0,2,0,0,0,0|0,0,2]=4 10752 B12R1.28 C#CCOCc1cccc(c1)F 34a_100000210247_100000187166 [0,2,0,0,0,0|0,0,2]=4 10753 B12R1.28 C#CCOCc1cccc(c1)F 34a_100000210976_100000184674 [0,2,0,0,0,0|0,0,2]=4 10754 B12R1.28 C#CCOCc1cccc(c1)F 7a_100000210976_100000038162 [0,2,0,0,0,0|0,0,2]=4 10755 B12R1.28 C#CCOCc1cccc(c1)I 34a_100000210247_100011218688 [0,2,0,0,0,0|0,0,2]=4 10756 B12R1.28 C#CCOCc1cccc(c1)I 34a_100011215336_100000184674 [0,2,0,0,0,0|0,0,2]=4 10757 B12R1.28 C#CCOCc1cccc(c1)I 7a_100011215336_100000038162 [0,2,0,0,0,0|0,0,2]=4 10758 B12R1.28 C#CCOCc1cccc(c1)N 34a_100000211919_100000184674 [0,2,0,0,0,0|0,0,2]=4 10759 B12R1.28 C#CCOCc1cccc(c1)O 34a_100000210247_100011660834 [0,2,0,0,0,0|0,0,2]=4 10760 B12R1.28 C/C=C/CNc1cccc(c1)Br 34a_100000210019_100102629194 [0,2,0,0,0,0|1,0,0]=3 10761 B12R1.28 C/C=C/CNc1cccc(c1)C 34a_100000188690_100102629194 [0,2,0,0,0,0|1,0,0]=3 10762 B12R1.28 C/C=C/CNc1cccc(c1)Cl 34a_100000185859_100102629194 [0,2,0,0,0,0|1,0,0]=3 10763 B12R1.28 C/C=C/CNc1cccc(c1)F 34a_100000210047_100102629194 [0,2,0,0,0,0|1,0,0]=3 10764 B12R1.28 C/C=C/CNc1cccc(c1)I 34a_100000211102_100102629194 [0,2,0,0,0,0|1,0,0]=3 10765 B12R1.28 C/C=C/CNc1cccc(c1)O 34a_100000210217_100102629194 [0,2,0,0,0,0|1,0,0]=3 10766 B12R1.28 C/C=C/COc1cc(cnn1)C 34a_100000766097_100102629194 [0,2,0,0,0,0|2,0,0]=4 10767 B12R1.28 C/C=C/COc1cc[nH]c(=O)c1 34a_100000032262_100102629194 [0,2,0,0,0,0|1,0,0]=3 10768 B12R1.28 C/C=C/COc1ccc[n+](c1)[O-] 34a_100000039713_100102629194 [0,2,0,0,0,0|1,0,0]=3 10769 B12R1.28 C/C=C/COc1ccc[n+](c1)[O-] 7a_100000039713_100102629194 [0,2,0,0,0,0|1,0,0]=3 10770 B12R1.28 C/C=C/COc1cccc(=O)[nH]1 34a_100000033347_100102629194 [0,2,0,0,0,0|1,0,0]=3 10771 B12R1.28 C/C=C/COc1cccc(c1)Br 34a_100000210342_100102629194 [0,2,0,0,0,0|0,0,0]=2 10772 B12R1.28 C/C=C/COc1cccc(c1)Br 7a_100000210342_100102629194 [0,2,0,0,0,0|0,0,0]=2 10773 B12R1.28 C/C=C/COc1cccc(c1)C 34a_100000210337_100102629194 [0,2,0,0,0,0|0,0,0]=2 10774 B12R1.28 C/C=C/COc1cccc(c1)C 7a_100000210337_100102629194 [0,2,0,0,0,0|0,0,0]=2 10775 B12R1.28 C/C=C/COc1cccc(c1)Cl 34a_100000210295_100102629194 [0,2,0,0,0,0|0,0,0]=2 10776 B12R1.28 C/C=C/COc1cccc(c1)Cl 7a_100000210295_100102629194 [0,2,0,0,0,0|0,0,0]=2 10777 B12R1.28 C/C=C/COc1cccc(c1)F 34a_100000210426_100102629194 [0,2,0,0,0,0|0,0,0]=2 10778 B12R1.28 C/C=C/COc1cccc(c1)F 7a_100000210426_100102629194 [0,2,0,0,0,0|0,0,0]=2 10779 B12R1.28 C/C=C/COc1cccc(c1)I 34a_100000211634_100102629194 [0,2,0,0,0,0|0,0,0]=2 10780 B12R1.28 C/C=C/COc1cccc(c1)I 7a_100000211634_100102629194 [0,2,0,0,0,0|0,0,0]=2 10781 B12R1.28 C/C=C/COc1cccc(c1)N 34a_100000210217_100102629194 [0,2,0,0,0,0|0,0,0]=2 10782 B12R1.28 C/C=C/COc1cccc(n1)F 34a_100011432558_100102629194 [0,2,0,0,0,0|1,0,0]=3 10783 B12R1.28 C/C=C/COc1ccnc(c1)C 34a_100000688365_100102629194 [0,2,0,0,0,0|1,0,0]=3 10784 B12R1.28 C/C=C/COc1ccnc(c1)Cl 34a_100000762945_100102629194 [0,2,0,0,0,0|1,0,0]=3 10785 B12R1.28 C/C=C/COc1ccnc(c1)F 34a_100000732698_100102629194 [0,2,0,0,0,0|1,0,0]=3 10786 B12R1.28 C/C=C/COc1ccnc(c1)N 34a_100011834064_100102629194 [0,2,0,0,0,0|1,0,0]=3 10787 B12R1.28 C/C=C/COc1cncc(c1)Br 34a_100000754920_100102629194 [0,2,0,0,0,0|1,0,0]=3 10788 B12R1.28 C/C=C/COc1cncc(c1)Br 7a_100000754920_100102629194 [0,2,0,0,0,0|1,0,0]=3 10789 B12R1.28 C/C=C/COc1cncc(c1)C 34a_100011830280_100102629194 [0,2,0,0,0,0|1,0,0]=3 10790 B12R1.28 C/C=C/COc1cncc(c1)C 7a_100011830280_100102629194 [0,2,0,0,0,0|1,0,0]=3 10791 B12R1.28 C/C=C/COc1cncc(c1)Cl 7a_100000032511_100102629194 [0,2,0,0,0,0|1,0,0]=3 10792 B12R1.28 C/C=C/COc1cncc(c1)F 34a_100011830296_100102629194 [0,2,0,0,0,0|1,0,0]=3 10793 B12R1.28 C/C=C/COc1cncc(c1)F 7a_100011830296_100102629194 [0,2,0,0,0,0|1,0,0]=3 10794 B12R1.28 C/C=C/COc1cncc(c1)N 34a_100011997051_100102629194 [0,2,0,0,0,0|1,0,0]=3 10795 B12R1.28 C/C=C/COc1cnnc(c1)Cl 34a_200010734679_100102629194 [0,2,0,0,0,0|2,0,0]=4 10796 B12R1.28 C/C=C/COc1cnnc(c1)N 34a_200015193112_100102629194 [0,2,0,0,0,0|2,0,0]=4 10797 B12R1.28 C/C=C/CSc1cc(=O)cc[nH]1 62a_100009817434_100102629194 [0,2,0,0,0,0|1,1,0]=4 10798 B12R1.28 C/C=C/CSc1cc(ccn1)C 62a_100000750283_100102629194 [0,2,0,0,0,0|1,1,0]=4 10799 B12R1.28 C/C=C/CSc1cc(ccn1)C 62a_100102629194_100000750283 [0,2,0,0,0,0|1,1,0]=4 10800 B12R1.28 C/C=C/CSc1cc(ccn1)Cl 62a_100010167805_100102629194 [0,2,0,0,0,0|1,1,0]=4 10801 B12R1.28 C/C=C/CSc1cc(ccn1)Cl 62a_100102629194_100010167805 [0,2,0,0,0,0|1,1,0]=4 10802 B12R1.28 C/C=C/CSc1cc(ccn1)F 62a_100000764206_100102629194 [0,2,0,0,0,0|1,1,0]=4 10803 B12R1.28 C/C=C/CSc1cc(ccn1)F 62a_100102629194_100000764206 [0,2,0,0,0,0|1,1,0]=4 10804 B12R1.28 C/C=C/CSc1cc(ccn1)N 62a_100009814236_100102629194 [0,2,0,0,0,0|1,1,0]=4 10805 B12R1.28 C/C=C/CSc1cc(ccn1)N 62a_100102629194_100009814236 [0,2,0,0,0,0|1,1,0]=4 10806 B12R1.28 C/C=C/CSc1cc(ccn1)O 62a_100102629194_100000762945 [0,2,0,0,0,0|1,1,0]=4 10807 B12R1.28 C/C=C/CSc1cc[nH]c(=O)c1 62a_100009816521_100102629194 [0,2,0,0,0,0|1,1,0]=4 10808 B12R1.28 C/C=C/CSc1cc[nH]c(=O)c1 62a_100102629194_100009816521 [0,2,0,0,0,0|1,1,0]=4 10809 B12R1.28 C/C=C/CSc1ccc[n+](c1)C 62a_100009996589_100102629194 [0,2,0,0,0,0|1,1,0]=4 10810 B12R1.28 C/C=C/CSc1ccc[n+](c1)C 62a_100102629194_100009996589 [0,2,0,0,0,0|1,1,0]=4 10811 B12R1.28 C/C=C/CSc1ccc[n+](c1)[O-] 62a_100102629194_100009815978 [0,2,0,0,0,0|1,1,0]=4 10812 B12R1.28 C/C=C/CSc1cccc(=O)[nH]1 62a_100102629194_100000752884 [0,2,0,0,0,0|1,1,0]=4 10813 B12R1.28 C/C=C/CSc1cccc(c1)Br 62a_100000691529_100102629194 [0,2,0,0,0,0|0,1,0]=3 10814 B12R1.28 C/C=C/CSc1cccc(c1)Br 62a_100102629194_100000691529 [0,2,0,0,0,0|0,1,0]=3 10815 B12R1.28 C/C=C/CSc1cccc(c1)C 62a_100011215228_100102629194 [0,2,0,0,0,0|0,1,0]=3 10816 B12R1.28 C/C=C/CSc1cccc(c1)C 62a_100102629194_100011215228 [0,2,0,0,0,0|0,1,0]=3 10817 B12R1.28 C/C=C/CSc1cccc(c1)Cl 62a_100000699651_100102629194 [0,2,0,0,0,0|0,1,0]=3 10818 B12R1.28 C/C=C/CSc1cccc(c1)Cl 62a_100102629194_100000699651 [0,2,0,0,0,0|0,1,0]=3 10819 B12R1.28 C/C=C/CSc1cccc(c1)F 62a_100000685547_100102629194 [0,2,0,0,0,0|0,1,0]=3 10820 B12R1.28 C/C=C/CSc1cccc(c1)F 62a_100102629194_100000685547 [0,2,0,0,0,0|0,1,0]=3 10821 B12R1.28 C/C=C/CSc1cccc(c1)N 62a_100000210019_100102629194 [0,2,0,0,0,0|0,1,0]=3 10822 B12R1.28 C/C=C/CSc1cccc(c1)N 62a_100102629194_100000210019 [0,2,0,0,0,0|0,1,0]=3 10823 B12R1.28 C/C=C/CSc1cccc(c1)O 62a_100102629194_100000211634 [0,2,0,0,0,0|0,1,0]=3 10824 B12R1.28 C/C=C/CSc1cccc(c1)[S] 62a_100102629194_114929384022 [0,2,0,0,0,0|0,1,0]=3 10825 B12R1.28 C/C=C/CSc1cccc(c1)[S] 62a_114929384022_100102629194 [0,2,0,0,0,0|0,1,0]=3 10826 B12R1.28 C/C=C/CSc1cccc(n1)Br 62a_100000684672_100102629194 [0,2,0,0,0,0|1,1,0]=4 10827 B12R1.28 C/C=C/CSc1cccc(n1)Br 62a_100102629194_100000684672 [0,2,0,0,0,0|1,1,0]=4 10828 B12R1.28 C/C=C/CSc1cccc(n1)C 62a_100000742759_100102629194 [0,2,0,0,0,0|1,1,0]=4 10829 B12R1.28 C/C=C/CSc1cccc(n1)C 62a_100102629194_100000742759 [0,2,0,0,0,0|1,1,0]=4 10830 B12R1.28 C/C=C/CSc1cccc(n1)Cl 62a_100000051397_100102629194 [0,2,0,0,0,0|1,1,0]=4 10831 B12R1.28 C/C=C/CSc1cccc(n1)Cl 62a_100102629194_100000051397 [0,2,0,0,0,0|1,1,0]=4 10832 B12R1.28 C/C=C/CSc1cccc(n1)F 62a_100009815982_100102629194 [0,2,0,0,0,0|1,1,0]=4 10833 B12R1.28 C/C=C/CSc1cccc(n1)F 62a_100102629194_100009815982 [0,2,0,0,0,0|1,1,0]=4 10834 B12R1.28 C/C=C/CSc1cccc(n1)N 62a_100000740741_100102629194 [0,2,0,0,0,0|1,1,0]=4 10835 B12R1.28 C/C=C/CSc1cccc(n1)N 62a_100102629194_100000740741 [0,2,0,0,0,0|1,1,0]=4 10836 B12R1.28 C/C=C/CSc1ccnc(c1)Br 62a_100009814637_100102629194 [0,2,0,0,0,0|1,1,0]=4 10837 B12R1.28 C/C=C/CSc1ccnc(c1)Br 62a_100102629194_100009814637 [0,2,0,0,0,0|1,1,0]=4 10838 B12R1.28 C/C=C/CSc1ccnc(c1)C 62a_100000758586_100102629194 [0,2,0,0,0,0|1,1,0]=4 10839 B12R1.28 C/C=C/CSc1ccnc(c1)C 62a_100102629194_100000758586 [0,2,0,0,0,0|1,1,0]=4 10840 B12R1.28 C/C=C/CSc1ccnc(c1)Cl 62a_100000035001_100102629194 [0,2,0,0,0,0|1,1,0]=4 10841 B12R1.28 C/C=C/CSc1ccnc(c1)Cl 62a_100102629194_100000035001 [0,2,0,0,0,0|1,1,0]=4 10842 B12R1.28 C/C=C/CSc1ccnc(c1)F 62a_100009816116_100102629194 [0,2,0,0,0,0|1,1,0]=4 10843 B12R1.28 C/C=C/CSc1ccnc(c1)F 62a_100102629194_100009816116 [0,2,0,0,0,0|1,1,0]=4 10844 B12R1.28 C/C=C/CSc1ccnc(c1)N 62a_100000049665_100102629194 [0,2,0,0,0,0|1,1,0]=4 10845 B12R1.28 C/C=C/CSc1ccnc(c1)N 62a_100102629194_100000049665 [0,2,0,0,0,0|1,1,0]=4 10846 B12R1.28 C/C=C/CSc1cncc(c1)Br 62a_100000728054_100102629194 [0,2,0,0,0,0|1,1,0]=4 10847 B12R1.28 C/C=C/CSc1cncc(c1)Br 62a_100102629194_100000728054 [0,2,0,0,0,0|1,1,0]=4 10848 B12R1.28 C/C=C/CSc1cncc(c1)C 62a_100000760492_100102629194 [0,2,0,0,0,0|1,1,0]=4 10849 B12R1.28 C/C=C/CSc1cncc(c1)C 62a_100102629194_100000760492 [0,2,0,0,0,0|1,1,0]=4 10850 B12R1.28 C/C=C/CSc1cncc(c1)Cl 62a_100000049639_100102629194 [0,2,0,0,0,0|1,1,0]=4 10851 B12R1.28 C/C=C/CSc1cncc(c1)Cl 62a_100102629194_100000049639 [0,2,0,0,0,0|1,1,0]=4 10852 B12R1.28 C/C=C/CSc1cncc(c1)F 62a_100000744099_100102629194 [0,2,0,0,0,0|1,1,0]=4 10853 B12R1.28 C/C=C/CSc1cncc(c1)F 62a_100102629194_100000744099 [0,2,0,0,0,0|1,1,0]=4 10854 B12R1.28 C/C=C/CSc1cncc(c1)N 62a_100000687067_100102629194 [0,2,0,0,0,0|1,1,0]=4 10855 B12R1.28 C/C=C/CSc1cncc(c1)N 62a_100102629194_100000687067 [0,2,0,0,0,0|1,1,0]=4 10856 B12R1.28 C/C=C/CSc1cncc(c1)O 62a_100000754920_100102629194 [0,2,0,0,0,0|1,1,0]=4 10857 B12R1.28 C/C=C/CSc1cncc(c1)O 62a_100102629194_100000754920 [0,2,0,0,0,0|1,1,0]=4 10858 B12R1.28 C=CCCNc1cc(ccn1)F 27a_100015191253_100000764206 [0,2,0,0,0,0|2,0,0]=4 10859 B12R1.28 C=CCCNc1cc[nH]c(=O)c1 27a_100015191253_100000061649 [0,2,0,0,0,0|2,0,0]=4 10860 B12R1.28 C=CCCNc1cccc(c1)Br 34a_100000210019_100000754431 [0,2,0,0,0,0|1,0,0]=3 10861 B12R1.28 C=CCCNc1cccc(c1)C 2230a_100000188690_100000754431 [0,2,0,0,0,0|1,0,0]=3 10862 B12R1.28 C=CCCNc1cccc(c1)C 34a_100000188690_100000754431 [0,2,0,0,0,0|1,0,0]=3 10863 B12R1.28 C=CCCNc1cccc(c1)Cl 34a_100000185859_100000754431 [0,2,0,0,0,0|1,0,0]=3 10864 B12R1.28 C=CCCNc1cccc(c1)F 34a_100000210047_100000754431 [0,2,0,0,0,0|1,0,0]=3 10865 B12R1.28 C=CCCNc1cccc(c1)I 34a_100000211102_100000754431 [0,2,0,0,0,0|1,0,0]=3 10866 B12R1.28 C=CCCNc1cccc(c1)O 34a_100000210217_100000754431 [0,2,0,0,0,0|1,0,0]=3 10867 B12R1.28 C=CCCNc1cccc(n1)F 27a_100015191253_100009815982 [0,2,0,0,0,0|2,0,0]=4 10868 B12R1.28 C=CCCNc1ccnc(c1)C 27a_100015191253_100000758586 [0,2,0,0,0,0|2,0,0]=4 10869 B12R1.28 C=CCCNc1ccnc(c1)F 27a_100015191253_100009816116 [0,2,0,0,0,0|2,0,0]=4 10870 B12R1.28 C=CCCOc1cc(cnn1)C 34a_100000766097_100000754431 [0,2,0,0,0,0|2,0,0]=4 10871 B12R1.28 C=CCCOc1cc[nH]c(=O)c1 34a_100000032262_100000754431 [0,2,0,0,0,0|1,0,0]=3 10872 B12R1.28 C=CCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000754431 [0,2,0,0,0,0|1,0,0]=3 10873 B12R1.28 C=CCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000754431 [0,2,0,0,0,0|1,0,0]=3 10874 B12R1.28 C=CCCOc1cccc(=O)[nH]1 34a_100000033347_100000754431 [0,2,0,0,0,0|1,0,0]=3 10875 B12R1.28 C=CCCOc1cccc(c1)Br 34a_100000210342_100000754431 [0,2,0,0,0,0|0,0,0]=2 10876 B12R1.28 C=CCCOc1cccc(c1)Br 7a_100000210342_100000754431 [0,2,0,0,0,0|0,0,0]=2 10877 B12R1.28 C=CCCOc1cccc(c1)C 34a_100000210337_100000754431 [0,2,0,0,0,0|0,0,0]=2 10878 B12R1.28 C=CCCOc1cccc(c1)C 7a_100000210337_100000754431 [0,2,0,0,0,0|0,0,0]=2 10879 B12R1.28 C=CCCOc1cccc(c1)Cl 34a_100000210295_100000754431 [0,2,0,0,0,0|0,0,0]=2 10880 B12R1.28 C=CCCOc1cccc(c1)Cl 7a_100000210295_100000754431 [0,2,0,0,0,0|0,0,0]=2 10881 B12R1.28 C=CCCOc1cccc(c1)F 34a_100000210426_100000754431 [0,2,0,0,0,0|0,0,0]=2 10882 B12R1.28 C=CCCOc1cccc(c1)F 7a_100000210426_100000754431 [0,2,0,0,0,0|0,0,0]=2 10883 B12R1.28 C=CCCOc1cccc(c1)I 34a_100000211634_100000754431 [0,2,0,0,0,0|0,0,0]=2 10884 B12R1.28 C=CCCOc1cccc(c1)I 7a_100000211634_100000754431 [0,2,0,0,0,0|0,0,0]=2 10885 B12R1.28 C=CCCOc1cccc(c1)N 34a_100000210217_100000754431 [0,2,0,0,0,0|0,0,0]=2 10886 B12R1.28 C=CCCOc1cccc(n1)F 34a_100011432558_100000754431 [0,2,0,0,0,0|1,0,0]=3 10887 B12R1.28 C=CCCOc1ccnc(c1)C 34a_100000688365_100000754431 [0,2,0,0,0,0|1,0,0]=3 10888 B12R1.28 C=CCCOc1ccnc(c1)Cl 34a_100000762945_100000754431 [0,2,0,0,0,0|1,0,0]=3 10889 B12R1.28 C=CCCOc1ccnc(c1)F 34a_100000732698_100000754431 [0,2,0,0,0,0|1,0,0]=3 10890 B12R1.28 C=CCCOc1ccnc(c1)N 34a_100011834064_100000754431 [0,2,0,0,0,0|1,0,0]=3 10891 B12R1.28 C=CCCOc1cncc(c1)Br 34a_100000754920_100000754431 [0,2,0,0,0,0|1,0,0]=3 10892 B12R1.28 C=CCCOc1cncc(c1)Br 7a_100000754920_100000754431 [0,2,0,0,0,0|1,0,0]=3 10893 B12R1.28 C=CCCOc1cncc(c1)C 34a_100011830280_100000754431 [0,2,0,0,0,0|1,0,0]=3 10894 B12R1.28 C=CCCOc1cncc(c1)C 7a_100011830280_100000754431 [0,2,0,0,0,0|1,0,0]=3 10895 B12R1.28 C=CCCOc1cncc(c1)Cl 7a_100000032511_100000754431 [0,2,0,0,0,0|1,0,0]=3 10896 B12R1.28 C=CCCOc1cncc(c1)F 34a_100011830296_100000754431 [0,2,0,0,0,0|1,0,0]=3 10897 B12R1.28 C=CCCOc1cncc(c1)F 7a_100011830296_100000754431 [0,2,0,0,0,0|1,0,0]=3 10898 B12R1.28 C=CCCOc1cncc(c1)N 34a_100011997051_100000754431 [0,2,0,0,0,0|1,0,0]=3 10899 B12R1.28 C=CCCOc1cnnc(c1)Cl 34a_200010734679_100000754431 [0,2,0,0,0,0|2,0,0]=4 10900 B12R1.28 C=CCCOc1cnnc(c1)N 34a_200015193112_100000754431 [0,2,0,0,0,0|2,0,0]=4 10901 B12R1.28 C=CCCSc1cc(=O)cc[nH]1 62a_100009817434_100000754431 [0,2,0,0,0,0|1,1,0]=4 10902 B12R1.28 C=CCCSc1cc(ccn1)C 62a_100000750283_100000754431 [0,2,0,0,0,0|1,1,0]=4 10903 B12R1.28 C=CCCSc1cc(ccn1)C 62a_100000754431_100000750283 [0,2,0,0,0,0|1,1,0]=4 10904 B12R1.28 C=CCCSc1cc(ccn1)Cl 62a_100000754431_100010167805 [0,2,0,0,0,0|1,1,0]=4 10905 B12R1.28 C=CCCSc1cc(ccn1)Cl 62a_100010167805_100000754431 [0,2,0,0,0,0|1,1,0]=4 10906 B12R1.28 C=CCCSc1cc(ccn1)F 62a_100000754431_100000764206 [0,2,0,0,0,0|1,1,0]=4 10907 B12R1.28 C=CCCSc1cc(ccn1)F 62a_100000764206_100000754431 [0,2,0,0,0,0|1,1,0]=4 10908 B12R1.28 C=CCCSc1cc(ccn1)N 62a_100000754431_100009814236 [0,2,0,0,0,0|1,1,0]=4 10909 B12R1.28 C=CCCSc1cc(ccn1)N 62a_100009814236_100000754431 [0,2,0,0,0,0|1,1,0]=4 10910 B12R1.28 C=CCCSc1cc(ccn1)O 62a_100000754431_100000762945 [0,2,0,0,0,0|1,1,0]=4 10911 B12R1.28 C=CCCSc1cc[nH]c(=O)c1 62a_100000754431_100009816521 [0,2,0,0,0,0|1,1,0]=4 10912 B12R1.28 C=CCCSc1cc[nH]c(=O)c1 62a_100009816521_100000754431 [0,2,0,0,0,0|1,1,0]=4 10913 B12R1.28 C=CCCSc1ccc[n+](c1)C 62a_100000754431_100009996589 [0,2,0,0,0,0|1,1,0]=4 10914 B12R1.28 C=CCCSc1ccc[n+](c1)C 62a_100009996589_100000754431 [0,2,0,0,0,0|1,1,0]=4 10915 B12R1.28 C=CCCSc1ccc[n+](c1)[O-] 62a_100000754431_100009815978 [0,2,0,0,0,0|1,1,0]=4 10916 B12R1.28 C=CCCSc1cccc(=O)[nH]1 62a_100000754431_100000752884 [0,2,0,0,0,0|1,1,0]=4 10917 B12R1.28 C=CCCSc1cccc(c1)Br 62a_100000691529_100000754431 [0,2,0,0,0,0|0,1,0]=3 10918 B12R1.28 C=CCCSc1cccc(c1)Br 62a_100000754431_100000691529 [0,2,0,0,0,0|0,1,0]=3 10919 B12R1.28 C=CCCSc1cccc(c1)C 62a_100000754431_100011215228 [0,2,0,0,0,0|0,1,0]=3 10920 B12R1.28 C=CCCSc1cccc(c1)C 62a_100011215228_100000754431 [0,2,0,0,0,0|0,1,0]=3 10921 B12R1.28 C=CCCSc1cccc(c1)Cl 62a_100000699651_100000754431 [0,2,0,0,0,0|0,1,0]=3 10922 B12R1.28 C=CCCSc1cccc(c1)Cl 62a_100000754431_100000699651 [0,2,0,0,0,0|0,1,0]=3 10923 B12R1.28 C=CCCSc1cccc(c1)F 62a_100000685547_100000754431 [0,2,0,0,0,0|0,1,0]=3 10924 B12R1.28 C=CCCSc1cccc(c1)F 62a_100000754431_100000685547 [0,2,0,0,0,0|0,1,0]=3 10925 B12R1.28 C=CCCSc1cccc(c1)N 62a_100000210019_100000754431 [0,2,0,0,0,0|0,1,0]=3 10926 B12R1.28 C=CCCSc1cccc(c1)N 62a_100000754431_100000210019 [0,2,0,0,0,0|0,1,0]=3 10927 B12R1.28 C=CCCSc1cccc(c1)O 62a_100000754431_100000211634 [0,2,0,0,0,0|0,1,0]=3 10928 B12R1.28 C=CCCSc1cccc(c1)[S] 62a_100000754431_114929384022 [0,2,0,0,0,0|0,1,0]=3 10929 B12R1.28 C=CCCSc1cccc(c1)[S] 62a_114929384022_100000754431 [0,2,0,0,0,0|0,1,0]=3 10930 B12R1.28 C=CCCSc1cccc(n1)Br 62a_100000684672_100000754431 [0,2,0,0,0,0|1,1,0]=4 10931 B12R1.28 C=CCCSc1cccc(n1)Br 62a_100000754431_100000684672 [0,2,0,0,0,0|1,1,0]=4 10932 B12R1.28 C=CCCSc1cccc(n1)C 62a_100000742759_100000754431 [0,2,0,0,0,0|1,1,0]=4 10933 B12R1.28 C=CCCSc1cccc(n1)C 62a_100000754431_100000742759 [0,2,0,0,0,0|1,1,0]=4 10934 B12R1.28 C=CCCSc1cccc(n1)Cl 62a_100000051397_100000754431 [0,2,0,0,0,0|1,1,0]=4 10935 B12R1.28 C=CCCSc1cccc(n1)Cl 62a_100000754431_100000051397 [0,2,0,0,0,0|1,1,0]=4 10936 B12R1.28 C=CCCSc1cccc(n1)F 62a_100000754431_100009815982 [0,2,0,0,0,0|1,1,0]=4 10937 B12R1.28 C=CCCSc1cccc(n1)F 62a_100009815982_100000754431 [0,2,0,0,0,0|1,1,0]=4 10938 B12R1.28 C=CCCSc1cccc(n1)N 62a_100000740741_100000754431 [0,2,0,0,0,0|1,1,0]=4 10939 B12R1.28 C=CCCSc1cccc(n1)N 62a_100000754431_100000740741 [0,2,0,0,0,0|1,1,0]=4 10940 B12R1.28 C=CCCSc1ccnc(c1)Br 62a_100000754431_100009814637 [0,2,0,0,0,0|1,1,0]=4 10941 B12R1.28 C=CCCSc1ccnc(c1)Br 62a_100009814637_100000754431 [0,2,0,0,0,0|1,1,0]=4 10942 B12R1.28 C=CCCSc1ccnc(c1)C 62a_100000754431_100000758586 [0,2,0,0,0,0|1,1,0]=4 10943 B12R1.28 C=CCCSc1ccnc(c1)C 62a_100000758586_100000754431 [0,2,0,0,0,0|1,1,0]=4 10944 B12R1.28 C=CCCSc1ccnc(c1)Cl 62a_100000035001_100000754431 [0,2,0,0,0,0|1,1,0]=4 10945 B12R1.28 C=CCCSc1ccnc(c1)Cl 62a_100000754431_100000035001 [0,2,0,0,0,0|1,1,0]=4 10946 B12R1.28 C=CCCSc1ccnc(c1)F 62a_100000754431_100009816116 [0,2,0,0,0,0|1,1,0]=4 10947 B12R1.28 C=CCCSc1ccnc(c1)F 62a_100009816116_100000754431 [0,2,0,0,0,0|1,1,0]=4 10948 B12R1.28 C=CCCSc1ccnc(c1)N 62a_100000049665_100000754431 [0,2,0,0,0,0|1,1,0]=4 10949 B12R1.28 C=CCCSc1ccnc(c1)N 62a_100000754431_100000049665 [0,2,0,0,0,0|1,1,0]=4 10950 B12R1.28 C=CCCSc1cncc(c1)Br 62a_100000728054_100000754431 [0,2,0,0,0,0|1,1,0]=4 10951 B12R1.28 C=CCCSc1cncc(c1)Br 62a_100000754431_100000728054 [0,2,0,0,0,0|1,1,0]=4 10952 B12R1.28 C=CCCSc1cncc(c1)C 62a_100000754431_100000760492 [0,2,0,0,0,0|1,1,0]=4 10953 B12R1.28 C=CCCSc1cncc(c1)C 62a_100000760492_100000754431 [0,2,0,0,0,0|1,1,0]=4 10954 B12R1.28 C=CCCSc1cncc(c1)Cl 62a_100000049639_100000754431 [0,2,0,0,0,0|1,1,0]=4 10955 B12R1.28 C=CCCSc1cncc(c1)Cl 62a_100000754431_100000049639 [0,2,0,0,0,0|1,1,0]=4 10956 B12R1.28 C=CCCSc1cncc(c1)F 62a_100000744099_100000754431 [0,2,0,0,0,0|1,1,0]=4 10957 B12R1.28 C=CCCSc1cncc(c1)F 62a_100000754431_100000744099 [0,2,0,0,0,0|1,1,0]=4 10958 B12R1.28 C=CCCSc1cncc(c1)N 62a_100000687067_100000754431 [0,2,0,0,0,0|1,1,0]=4 10959 B12R1.28 C=CCCSc1cncc(c1)N 62a_100000754431_100000687067 [0,2,0,0,0,0|1,1,0]=4 10960 B12R1.28 C=CCCSc1cncc(c1)O 62a_100000754431_100000754920 [0,2,0,0,0,0|1,1,0]=4 10961 B12R1.28 C=CCCSc1cncc(c1)O 62a_100000754920_100000754431 [0,2,0,0,0,0|1,1,0]=4 10962 B12R1.28 C=CCNCc1cc(ccn1)Br 2230a_100020586998_100010173614 [0,2,0,0,0,0|2,0,0]=4 10963 B12R1.28 C=CCNCc1cc(ccn1)Br 270004a_100020586998_100009818557 [0,2,0,0,0,0|2,0,0]=4 10964 B12R1.28 C=CCNCc1cc(ccn1)C 2230a_100020586998_100000718516 [0,2,0,0,0,0|2,0,0]=4 10965 B12R1.28 C=CCNCc1cc(ccn1)C 270004a_100020586998_100011361488 [0,2,0,0,0,0|2,0,0]=4 10966 B12R1.28 C=CCNCc1cc(ccn1)Cl 2230a_100020586998_100016988179 [0,2,0,0,0,0|2,0,0]=4 10967 B12R1.28 C=CCNCc1cc(ccn1)Cl 270004a_100020586998_100011998288 [0,2,0,0,0,0|2,0,0]=4 10968 B12R1.28 C=CCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210623 [0,2,0,0,0,0|2,0,0]=4 10969 B12R1.28 C=CCNCc1cccc(c1)Br 2230a_100000174977_100000210623 [0,2,0,0,0,0|1,0,0]=3 10970 B12R1.28 C=CCNCc1cccc(c1)Br 2230a_100020586998_100000698116 [0,2,0,0,0,0|1,0,0]=3 10971 B12R1.28 C=CCNCc1cccc(c1)Br 270004a_100020586998_100000210085 [0,2,0,0,0,0|1,0,0]=3 10972 B12R1.28 C=CCNCc1cccc(c1)Br 34a_100000174977_100015514636 [0,2,0,0,0,0|1,0,0]=3 10973 B12R1.28 C=CCNCc1cccc(c1)C 2230a_100000185548_100000210623 [0,2,0,0,0,0|1,0,0]=3 10974 B12R1.28 C=CCNCc1cccc(c1)C 2230a_100020586998_100000211840 [0,2,0,0,0,0|1,0,0]=3 10975 B12R1.28 C=CCNCc1cccc(c1)C 270004a_100020586998_100000211157 [0,2,0,0,0,0|1,0,0]=3 10976 B12R1.28 C=CCNCc1cccc(c1)C 34a_100000185548_100015514636 [0,2,0,0,0,0|1,0,0]=3 10977 B12R1.28 C=CCNCc1cccc(c1)Cl 2230a_100000174878_100000210623 [0,2,0,0,0,0|1,0,0]=3 10978 B12R1.28 C=CCNCc1cccc(c1)Cl 2230a_100020586998_100000181238 [0,2,0,0,0,0|1,0,0]=3 10979 B12R1.28 C=CCNCc1cccc(c1)Cl 270004a_100020586998_100000210801 [0,2,0,0,0,0|1,0,0]=3 10980 B12R1.28 C=CCNCc1cccc(c1)Cl 34a_100000174878_100015514636 [0,2,0,0,0,0|1,0,0]=3 10981 B12R1.28 C=CCNCc1cccc(c1)F 2230a_100000174948_100000210623 [0,2,0,0,0,0|1,0,0]=3 10982 B12R1.28 C=CCNCc1cccc(c1)F 2230a_100020586998_100000230114 [0,2,0,0,0,0|1,0,0]=3 10983 B12R1.28 C=CCNCc1cccc(c1)F 270004a_100020586998_100000210812 [0,2,0,0,0,0|1,0,0]=3 10984 B12R1.28 C=CCNCc1cccc(c1)F 34a_100000174948_100015514636 [0,2,0,0,0,0|1,0,0]=3 10985 B12R1.28 C=CCNCc1cccc(c1)I 2230a_100000106179_100000210623 [0,2,0,0,0,0|1,0,0]=3 10986 B12R1.28 C=CCNCc1cccc(c1)I 2230a_100020586998_100011218688 [0,2,0,0,0,0|1,0,0]=3 10987 B12R1.28 C=CCNCc1cccc(c1)I 270004a_100020586998_100000014684 [0,2,0,0,0,0|1,0,0]=3 10988 B12R1.28 C=CCNCc1cccc(c1)I 34a_100000106179_100015514636 [0,2,0,0,0,0|1,0,0]=3 10989 B12R1.28 C=CCNCc1cccc(c1)O 2230a_100000743036_100000210623 [0,2,0,0,0,0|1,0,0]=3 10990 B12R1.28 C=CCNCc1cccc(c1)O 2230a_100020586998_100011660834 [0,2,0,0,0,0|1,0,0]=3 10991 B12R1.28 C=CCNCc1cccc(c1)O 270004a_100020586998_100000188321 [0,2,0,0,0,0|1,0,0]=3 10992 B12R1.28 C=CCNCc1cccc(c1)O 34a_100000743036_100015514636 [0,2,0,0,0,0|1,0,0]=3 10993 B12R1.28 C=CCNCc1cccc(n1)Br 2230a_100016987751_100000210623 [0,2,0,0,0,0|2,0,0]=4 10994 B12R1.28 C=CCNCc1cccc(n1)Br 2230a_100020586998_100009889011 [0,2,0,0,0,0|2,0,0]=4 10995 B12R1.28 C=CCNCc1cccc(n1)Br 270004a_100020586998_100000688028 [0,2,0,0,0,0|2,0,0]=4 10996 B12R1.28 C=CCNCc1cccc(n1)C 2230a_100020586998_100000757606 [0,2,0,0,0,0|2,0,0]=4 10997 B12R1.28 C=CCNCc1cccc(n1)C 270004a_100020586998_100011215050 [0,2,0,0,0,0|2,0,0]=4 10998 B12R1.28 C=CCNCc1cccc(n1)C 34a_100000701342_100015514636 [0,2,0,0,0,0|2,0,0]=4 10999 B12R1.28 C=CCNCc1cccc(n1)Cl 2230a_100016990191_100000210623 [0,2,0,0,0,0|2,0,0]=4 11000 B12R1.28 C=CCNCc1cccc(n1)Cl 2230a_100020586998_100000086093 [0,2,0,0,0,0|2,0,0]=4 11001 B12R1.28 C=CCNCc1cccc(n1)Cl 270004a_100020586998_100011361687 [0,2,0,0,0,0|2,0,0]=4 11002 B12R1.28 C=CCNCc1cccc(n1)F 2230a_100015188798_100000210623 [0,2,0,0,0,0|2,0,0]=4 11003 B12R1.28 C=CCNCc1cccc(n1)F 2230a_100020586998_100009819644 [0,2,0,0,0,0|2,0,0]=4 11004 B12R1.28 C=CCNCc1cccc(n1)F 270004a_100020586998_100000050434 [0,2,0,0,0,0|2,0,0]=4 11005 B12R1.28 C=CCNCc1cccc(n1)F 34a_100015188798_100015514636 [0,2,0,0,0,0|2,0,0]=4 11006 B12R1.28 C=CCNCc1ccnc(c1)Br 2230a_100020586998_100010243470 [0,2,0,0,0,0|2,0,0]=4 11007 B12R1.28 C=CCNCc1ccnc(c1)Br 2230a_100025757509_100000210623 [0,2,0,0,0,0|2,0,0]=4 11008 B12R1.28 C=CCNCc1ccnc(c1)Br 270004a_100020586998_100009814634 [0,2,0,0,0,0|2,0,0]=4 11009 B12R1.28 C=CCNCc1ccnc(c1)Br 34a_100025757509_100015514636 [0,2,0,0,0,0|2,0,0]=4 11010 B12R1.28 C=CCNCc1ccnc(c1)C 2230a_100020586998_200020672517 [0,2,0,0,0,0|2,0,0]=4 11011 B12R1.28 C=CCNCc1ccnc(c1)C 270004a_100020586998_100011361630 [0,2,0,0,0,0|2,0,0]=4 11012 B12R1.28 C=CCNCc1ccnc(c1)C 34a_100011934566_100015514636 [0,2,0,0,0,0|2,0,0]=4 11013 B12R1.28 C=CCNCc1ccnc(c1)Cl 2230a_100015205668_100000210623 [0,2,0,0,0,0|2,0,0]=4 11014 B12R1.28 C=CCNCc1ccnc(c1)Cl 2230a_100020586998_100000764220 [0,2,0,0,0,0|2,0,0]=4 11015 B12R1.28 C=CCNCc1ccnc(c1)Cl 270004a_100020586998_100011290808 [0,2,0,0,0,0|2,0,0]=4 11016 B12R1.28 C=CCNCc1ccnc(c1)Cl 34a_100015205668_100015514636 [0,2,0,0,0,0|2,0,0]=4 11017 B12R1.28 C=CCNCc1ccnc(c1)F 2230a_100015188774_100000210623 [0,2,0,0,0,0|2,0,0]=4 11018 B12R1.28 C=CCNCc1ccnc(c1)F 270004a_100020586998_100000068331 [0,2,0,0,0,0|2,0,0]=4 11019 B12R1.28 C=CCNCc1ccnc(c1)F 34a_100015188774_100015514636 [0,2,0,0,0,0|2,0,0]=4 11020 B12R1.28 C=CCNCc1cncc(c1)Br 2230a_100020586998_100000738771 [0,2,0,0,0,0|2,0,0]=4 11021 B12R1.28 C=CCNCc1cncc(c1)Br 270004a_100020586998_100000687066 [0,2,0,0,0,0|2,0,0]=4 11022 B12R1.28 C=CCNCc1cncc(c1)C 2230a_100000692839_100000210623 [0,2,0,0,0,0|2,0,0]=4 11023 B12R1.28 C=CCNCc1cncc(c1)C 2230a_100020586998_100000716715 [0,2,0,0,0,0|2,0,0]=4 11024 B12R1.28 C=CCNCc1cncc(c1)C 270004a_100020586998_100011998712 [0,2,0,0,0,0|2,0,0]=4 11025 B12R1.28 C=CCNCc1cncc(c1)C 34a_100000692839_100015514636 [0,2,0,0,0,0|2,0,0]=4 11026 B12R1.28 C=CCNCc1cncc(c1)Cl 2230a_100020586998_100016992070 [0,2,0,0,0,0|2,0,0]=4 11027 B12R1.28 C=CCNCc1cncc(c1)Cl 2230a_200020614424_100000210623 [0,2,0,0,0,0|2,0,0]=4 11028 B12R1.28 C=CCNCc1cncc(c1)Cl 270004a_100020586998_100000088910 [0,2,0,0,0,0|2,0,0]=4 11029 B12R1.28 C=CCNCc1cncc(c1)F 2230a_100011962886_100000210623 [0,2,0,0,0,0|2,0,0]=4 11030 B12R1.28 C=CCNCc1cncc(c1)F 2230a_100020586998_100000725299 [0,2,0,0,0,0|2,0,0]=4 11031 B12R1.28 C=CCNCc1cncc(c1)F 270004a_100020586998_100011361476 [0,2,0,0,0,0|2,0,0]=4 11032 B12R1.28 C=CCNCc1cncc(c1)F 34a_100011962886_100015514636 [0,2,0,0,0,0|2,0,0]=4 11033 B12R1.28 C=CCNCc1cncc(c1)O 270004a_100020586998_100012187055 [0,2,0,0,0,0|2,0,0]=4 11034 B12R1.28 C=CCOCc1cc(ccn1)Br 34a_200000210373_100010173614 [0,2,0,0,0,0|1,0,0]=3 11035 B12R1.28 C=CCOCc1cc(ccn1)C 34a_100011998357_100015514636 [0,2,0,0,0,0|1,0,0]=3 11036 B12R1.28 C=CCOCc1cc(ccn1)C 34a_200000210373_100000718516 [0,2,0,0,0,0|1,0,0]=3 11037 B12R1.28 C=CCOCc1cc(ccn1)Cl 34a_100000748867_100015514636 [0,2,0,0,0,0|1,0,0]=3 11038 B12R1.28 C=CCOCc1cc(ccn1)Cl 34a_200000210373_100016988179 [0,2,0,0,0,0|1,0,0]=3 11039 B12R1.28 C=CCOCc1cc(ccn1)N 34a_100000692640_100015514636 [0,2,0,0,0,0|1,0,0]=3 11040 B12R1.28 C=CCOCc1cc(cnn1)C 34a_100016212594_100015514636 [0,2,0,0,0,0|2,0,0]=4 11041 B12R1.28 C=CCOCc1ccc[n+](c1)[O-] 34a_100000037817_100015514636 [0,2,0,0,0,0|1,0,0]=3 11042 B12R1.28 C=CCOCc1ccc[n+](c1)[O-] 7a_100000037817_100015514636 [0,2,0,0,0,0|1,0,0]=3 11043 B12R1.28 C=CCOCc1cccc(c1)Br 34a_100000687537_100015514636 [0,2,0,0,0,0|0,0,0]=2 11044 B12R1.28 C=CCOCc1cccc(c1)Br 34a_200000210373_100000698116 [0,2,0,0,0,0|0,0,0]=2 11045 B12R1.28 C=CCOCc1cccc(c1)Br 7a_100000687537_100015514636 [0,2,0,0,0,0|0,0,0]=2 11046 B12R1.28 C=CCOCc1cccc(c1)C 34a_100011217746_100015514636 [0,2,0,0,0,0|0,0,0]=2 11047 B12R1.28 C=CCOCc1cccc(c1)C 34a_200000210373_100000211840 [0,2,0,0,0,0|0,0,0]=2 11048 B12R1.28 C=CCOCc1cccc(c1)C 7a_100011217746_100015514636 [0,2,0,0,0,0|0,0,0]=2 11049 B12R1.28 C=CCOCc1cccc(c1)Cl 34a_100000241301_100015514636 [0,2,0,0,0,0|0,0,0]=2 11050 B12R1.28 C=CCOCc1cccc(c1)Cl 34a_200000210373_100000187163 [0,2,0,0,0,0|0,0,0]=2 11051 B12R1.28 C=CCOCc1cccc(c1)Cl 7a_100000241301_100015514636 [0,2,0,0,0,0|0,0,0]=2 11052 B12R1.28 C=CCOCc1cccc(c1)F 34a_100000210976_100015514636 [0,2,0,0,0,0|0,0,0]=2 11053 B12R1.28 C=CCOCc1cccc(c1)F 34a_200000210373_100000187166 [0,2,0,0,0,0|0,0,0]=2 11054 B12R1.28 C=CCOCc1cccc(c1)F 7a_100000210976_100015514636 [0,2,0,0,0,0|0,0,0]=2 11055 B12R1.28 C=CCOCc1cccc(c1)I 34a_100011215336_100015514636 [0,2,0,0,0,0|0,0,0]=2 11056 B12R1.28 C=CCOCc1cccc(c1)I 34a_200000210373_100011218688 [0,2,0,0,0,0|0,0,0]=2 11057 B12R1.28 C=CCOCc1cccc(c1)I 7a_100011215336_100015514636 [0,2,0,0,0,0|0,0,0]=2 11058 B12R1.28 C=CCOCc1cccc(c1)N 34a_100000211919_100015514636 [0,2,0,0,0,0|0,0,0]=2 11059 B12R1.28 C=CCOCc1cccc(c1)O 34a_200000210373_100011660834 [0,2,0,0,0,0|0,0,0]=2 11060 B12R1.28 C=CCOCc1cccc(n1)Br 34a_100000694195_100015514636 [0,2,0,0,0,0|1,0,0]=3 11061 B12R1.28 C=CCOCc1cccc(n1)Br 34a_200000210373_100009889011 [0,2,0,0,0,0|1,0,0]=3 11062 B12R1.28 C=CCOCc1cccc(n1)C 34a_100000690600_100015514636 [0,2,0,0,0,0|1,0,0]=3 11063 B12R1.28 C=CCOCc1cccc(n1)C 34a_200000210373_100000757606 [0,2,0,0,0,0|1,0,0]=3 11064 B12R1.28 C=CCOCc1cccc(n1)Cl 34a_100011998359_100015514636 [0,2,0,0,0,0|1,0,0]=3 11065 B12R1.28 C=CCOCc1cccc(n1)Cl 34a_200000210373_100000086093 [0,2,0,0,0,0|1,0,0]=3 11066 B12R1.28 C=CCOCc1cccc(n1)F 34a_100000086748_100015514636 [0,2,0,0,0,0|1,0,0]=3 11067 B12R1.28 C=CCOCc1cccc(n1)F 34a_200000210373_100009819644 [0,2,0,0,0,0|1,0,0]=3 11068 B12R1.28 C=CCOCc1ccnc(c1)Br 34a_100009814636_100015514636 [0,2,0,0,0,0|1,0,0]=3 11069 B12R1.28 C=CCOCc1ccnc(c1)Br 34a_200000210373_100010243470 [0,2,0,0,0,0|1,0,0]=3 11070 B12R1.28 C=CCOCc1ccnc(c1)Br 7a_100009814636_100015514636 [0,2,0,0,0,0|1,0,0]=3 11071 B12R1.28 C=CCOCc1ccnc(c1)C 34a_100011998630_100015514636 [0,2,0,0,0,0|1,0,0]=3 11072 B12R1.28 C=CCOCc1ccnc(c1)C 34a_200000210373_200020672517 [0,2,0,0,0,0|1,0,0]=3 11073 B12R1.28 C=CCOCc1ccnc(c1)Cl 34a_100000748751_100015514636 [0,2,0,0,0,0|1,0,0]=3 11074 B12R1.28 C=CCOCc1ccnc(c1)Cl 34a_200000210373_100000764220 [0,2,0,0,0,0|1,0,0]=3 11075 B12R1.28 C=CCOCc1ccnc(c1)F 34a_100000082451_100015514636 [0,2,0,0,0,0|1,0,0]=3 11076 B12R1.28 C=CCOCc1ccnc(n1)Cl 34a_200000210373_100000099655 [0,2,0,0,0,0|2,0,0]=4 11077 B12R1.28 C=CCOCc1cncc(c1)Br 34a_100011259137_100015514636 [0,2,0,0,0,0|1,0,0]=3 11078 B12R1.28 C=CCOCc1cncc(c1)Br 34a_200000210373_100000738771 [0,2,0,0,0,0|1,0,0]=3 11079 B12R1.28 C=CCOCc1cncc(c1)Br 7a_100011259137_100015514636 [0,2,0,0,0,0|1,0,0]=3 11080 B12R1.28 C=CCOCc1cncc(c1)C 34a_100011998709_100015514636 [0,2,0,0,0,0|1,0,0]=3 11081 B12R1.28 C=CCOCc1cncc(c1)C 34a_200000210373_100000716715 [0,2,0,0,0,0|1,0,0]=3 11082 B12R1.28 C=CCOCc1cncc(c1)C 7a_100011998709_100015514636 [0,2,0,0,0,0|1,0,0]=3 11083 B12R1.28 C=CCOCc1cncc(c1)Cl 34a_100000092867_100015514636 [0,2,0,0,0,0|1,0,0]=3 11084 B12R1.28 C=CCOCc1cncc(c1)Cl 34a_200000210373_100016992070 [0,2,0,0,0,0|1,0,0]=3 11085 B12R1.28 C=CCOCc1cncc(c1)Cl 7a_100000092867_100015514636 [0,2,0,0,0,0|1,0,0]=3 11086 B12R1.28 C=CCOCc1cncc(c1)F 34a_100011962875_100015514636 [0,2,0,0,0,0|1,0,0]=3 11087 B12R1.28 C=CCOCc1cncc(c1)F 34a_200000210373_100000725299 [0,2,0,0,0,0|1,0,0]=3 11088 B12R1.28 C=CCOCc1cncc(c1)F 7a_100011962875_100015514636 [0,2,0,0,0,0|1,0,0]=3 11089 B12R1.28 C=CCOCc1cncc(c1)N 34a_100000085308_100015514636 [0,2,0,0,0,0|1,0,0]=3 11090 B12R1.28 C=CCSCc1cc(ccn1)Br 62a_100000210623_100010173614 [0,2,0,0,0,0|1,1,0]=4 11091 B12R1.28 C=CCSCc1cc(ccn1)Br 62a_100010173614_100000210623 [0,2,0,0,0,0|1,1,0]=4 11092 B12R1.28 C=CCSCc1cc(ccn1)C 62a_100000210623_100000718516 [0,2,0,0,0,0|1,1,0]=4 11093 B12R1.28 C=CCSCc1cc(ccn1)C 62a_100000718516_100000210623 [0,2,0,0,0,0|1,1,0]=4 11094 B12R1.28 C=CCSCc1cc(ccn1)Cl 62a_100000210623_100016988179 [0,2,0,0,0,0|1,1,0]=4 11095 B12R1.28 C=CCSCc1cc(ccn1)Cl 62a_100016988179_100000210623 [0,2,0,0,0,0|1,1,0]=4 11096 B12R1.28 C=CCSCc1cccc(c1)Br 62a_100000210623_100000211773 [0,2,0,0,0,0|0,1,0]=3 11097 B12R1.28 C=CCSCc1cccc(c1)Br 62a_100000211773_100000210623 [0,2,0,0,0,0|0,1,0]=3 11098 B12R1.28 C=CCSCc1cccc(c1)C 62a_100000210623_100000211840 [0,2,0,0,0,0|0,1,0]=3 11099 B12R1.28 C=CCSCc1cccc(c1)C 62a_100000211840_100000210623 [0,2,0,0,0,0|0,1,0]=3 11100 B12R1.28 C=CCSCc1cccc(c1)Cl 62a_100000187163_100000210623 [0,2,0,0,0,0|0,1,0]=3 11101 B12R1.28 C=CCSCc1cccc(c1)Cl 62a_100000210623_100000187163 [0,2,0,0,0,0|0,1,0]=3 11102 B12R1.28 C=CCSCc1cccc(c1)F 62a_100000210623_100000230114 [0,2,0,0,0,0|0,1,0]=3 11103 B12R1.28 C=CCSCc1cccc(c1)F 62a_100000230114_100000210623 [0,2,0,0,0,0|0,1,0]=3 11104 B12R1.28 C=CCSCc1cccc(c1)I 62a_100000210623_100011218688 [0,2,0,0,0,0|0,1,0]=3 11105 B12R1.28 C=CCSCc1cccc(c1)I 62a_100011218688_100000210623 [0,2,0,0,0,0|0,1,0]=3 11106 B12R1.28 C=CCSCc1cccc(c1)O 62a_100000210623_100011660834 [0,2,0,0,0,0|0,1,0]=3 11107 B12R1.28 C=CCSCc1cccc(c1)O 62a_100011660834_100000210623 [0,2,0,0,0,0|0,1,0]=3 11108 B12R1.28 C=CCSCc1cccc(n1)Br 62a_100000210623_100009889011 [0,2,0,0,0,0|1,1,0]=4 11109 B12R1.28 C=CCSCc1cccc(n1)Br 62a_100009889011_100000210623 [0,2,0,0,0,0|1,1,0]=4 11110 B12R1.28 C=CCSCc1cccc(n1)C 62a_100000210623_100000757606 [0,2,0,0,0,0|1,1,0]=4 11111 B12R1.28 C=CCSCc1cccc(n1)C 62a_100000757606_100000210623 [0,2,0,0,0,0|1,1,0]=4 11112 B12R1.28 C=CCSCc1cccc(n1)Cl 62a_100000086093_100000210623 [0,2,0,0,0,0|1,1,0]=4 11113 B12R1.28 C=CCSCc1cccc(n1)Cl 62a_100000210623_100000086093 [0,2,0,0,0,0|1,1,0]=4 11114 B12R1.28 C=CCSCc1cccc(n1)F 62a_100000210623_100009819644 [0,2,0,0,0,0|1,1,0]=4 11115 B12R1.28 C=CCSCc1cccc(n1)F 62a_100009819644_100000210623 [0,2,0,0,0,0|1,1,0]=4 11116 B12R1.28 C=CCSCc1ccnc(c1)Br 62a_100000210623_100010243470 [0,2,0,0,0,0|1,1,0]=4 11117 B12R1.28 C=CCSCc1ccnc(c1)Br 62a_100010254460_100000210623 [0,2,0,0,0,0|1,1,0]=4 11118 B12R1.28 C=CCSCc1ccnc(c1)C 62a_100000210623_200020672517 [0,2,0,0,0,0|1,1,0]=4 11119 B12R1.28 C=CCSCc1ccnc(c1)C 62a_200020672517_100000210623 [0,2,0,0,0,0|1,1,0]=4 11120 B12R1.28 C=CCSCc1ccnc(c1)Cl 62a_100000210623_100000764220 [0,2,0,0,0,0|1,1,0]=4 11121 B12R1.28 C=CCSCc1ccnc(c1)Cl 62a_100000764220_100000210623 [0,2,0,0,0,0|1,1,0]=4 11122 B12R1.28 C=CCSCc1cncc(c1)Br 62a_100000210623_100000738771 [0,2,0,0,0,0|1,1,0]=4 11123 B12R1.28 C=CCSCc1cncc(c1)Br 62a_100000738771_100000210623 [0,2,0,0,0,0|1,1,0]=4 11124 B12R1.28 C=CCSCc1cncc(c1)C 62a_100000210623_100000716715 [0,2,0,0,0,0|1,1,0]=4 11125 B12R1.28 C=CCSCc1cncc(c1)C 62a_100000716715_100000210623 [0,2,0,0,0,0|1,1,0]=4 11126 B12R1.28 C=CCSCc1cncc(c1)Cl 62a_100000210623_100016992070 [0,2,0,0,0,0|1,1,0]=4 11127 B12R1.28 C=CCSCc1cncc(c1)Cl 62a_100016992070_100000210623 [0,2,0,0,0,0|1,1,0]=4 11128 B12R1.28 C=CCSCc1cncc(c1)F 62a_100000210623_100000725299 [0,2,0,0,0,0|1,1,0]=4 11129 B12R1.28 C=CCSCc1cncc(c1)F 62a_100000725299_100000210623 [0,2,0,0,0,0|1,1,0]=4 11130 B12R1.28 CC#CCOc1cccc(c1)Br 34a_100000210342_100000748600 [0,2,0,0,0,0|0,0,2]=4 11131 B12R1.28 CC#CCOc1cccc(c1)Br 7a_100000210342_100000748600 [0,2,0,0,0,0|0,0,2]=4 11132 B12R1.28 CC#CCOc1cccc(c1)C 34a_100000210337_100000748600 [0,2,0,0,0,0|0,0,2]=4 11133 B12R1.28 CC#CCOc1cccc(c1)C 7a_100000210337_100000748600 [0,2,0,0,0,0|0,0,2]=4 11134 B12R1.28 CC#CCOc1cccc(c1)Cl 34a_100000210295_100000748600 [0,2,0,0,0,0|0,0,2]=4 11135 B12R1.28 CC#CCOc1cccc(c1)Cl 7a_100000210295_100000748600 [0,2,0,0,0,0|0,0,2]=4 11136 B12R1.28 CC#CCOc1cccc(c1)F 34a_100000210426_100000748600 [0,2,0,0,0,0|0,0,2]=4 11137 B12R1.28 CC#CCOc1cccc(c1)F 7a_100000210426_100000748600 [0,2,0,0,0,0|0,0,2]=4 11138 B12R1.28 CC#CCOc1cccc(c1)I 34a_100000211634_100000748600 [0,2,0,0,0,0|0,0,2]=4 11139 B12R1.28 CC#CCOc1cccc(c1)I 7a_100000211634_100000748600 [0,2,0,0,0,0|0,0,2]=4 11140 B12R1.28 CC#CCOc1cccc(c1)N 34a_100000210217_100000748600 [0,2,0,0,0,0|0,0,2]=4 11141 B12R1.28 CC=CCNc1cccc(c1)Br 34a_100000210019_100000070051 [0,2,0,0,0,0|1,0,0]=3 11142 B12R1.28 CC=CCNc1cccc(c1)C 2230a_100000188690_100000070051 [0,2,0,0,0,0|1,0,0]=3 11143 B12R1.28 CC=CCNc1cccc(c1)C 34a_100000188690_100000070051 [0,2,0,0,0,0|1,0,0]=3 11144 B12R1.28 CC=CCNc1cccc(c1)Cl 34a_100000185859_100000070051 [0,2,0,0,0,0|1,0,0]=3 11145 B12R1.28 CC=CCNc1cccc(c1)F 34a_100000210047_100000070051 [0,2,0,0,0,0|1,0,0]=3 11146 B12R1.28 CC=CCNc1cccc(c1)I 34a_100000211102_100000070051 [0,2,0,0,0,0|1,0,0]=3 11147 B12R1.28 CC=CCNc1cccc(c1)O 34a_100000210217_100000070051 [0,2,0,0,0,0|1,0,0]=3 11148 B12R1.28 CC=CCOc1cc(cnn1)C 34a_100000766097_100000070051 [0,2,0,0,0,0|2,0,0]=4 11149 B12R1.28 CC=CCOc1cc[nH]c(=O)c1 34a_100000032262_100000070051 [0,2,0,0,0,0|1,0,0]=3 11150 B12R1.28 CC=CCOc1ccc[n+](c1)[O-] 34a_100000039713_100000070051 [0,2,0,0,0,0|1,0,0]=3 11151 B12R1.28 CC=CCOc1ccc[n+](c1)[O-] 7a_100000039713_100000070051 [0,2,0,0,0,0|1,0,0]=3 11152 B12R1.28 CC=CCOc1cccc(=O)[nH]1 34a_100000033347_100000070051 [0,2,0,0,0,0|1,0,0]=3 11153 B12R1.28 CC=CCOc1cccc(c1)Br 34a_100000210342_100000070051 [0,2,0,0,0,0|0,0,0]=2 11154 B12R1.28 CC=CCOc1cccc(c1)Br 7a_100000210342_100000070051 [0,2,0,0,0,0|0,0,0]=2 11155 B12R1.28 CC=CCOc1cccc(c1)C 34a_100000210337_100000070051 [0,2,0,0,0,0|0,0,0]=2 11156 B12R1.28 CC=CCOc1cccc(c1)C 7a_100000210337_100000070051 [0,2,0,0,0,0|0,0,0]=2 11157 B12R1.28 CC=CCOc1cccc(c1)Cl 34a_100000210295_100000070051 [0,2,0,0,0,0|0,0,0]=2 11158 B12R1.28 CC=CCOc1cccc(c1)Cl 7a_100000210295_100000070051 [0,2,0,0,0,0|0,0,0]=2 11159 B12R1.28 CC=CCOc1cccc(c1)F 34a_100000210426_100000070051 [0,2,0,0,0,0|0,0,0]=2 11160 B12R1.28 CC=CCOc1cccc(c1)F 7a_100000210426_100000070051 [0,2,0,0,0,0|0,0,0]=2 11161 B12R1.28 CC=CCOc1cccc(c1)I 34a_100000211634_100000070051 [0,2,0,0,0,0|0,0,0]=2 11162 B12R1.28 CC=CCOc1cccc(c1)I 7a_100000211634_100000070051 [0,2,0,0,0,0|0,0,0]=2 11163 B12R1.28 CC=CCOc1cccc(c1)N 34a_100000210217_100000070051 [0,2,0,0,0,0|0,0,0]=2 11164 B12R1.28 CC=CCOc1cccc(n1)F 34a_100011432558_100000070051 [0,2,0,0,0,0|1,0,0]=3 11165 B12R1.28 CC=CCOc1ccnc(c1)C 34a_100000688365_100000070051 [0,2,0,0,0,0|1,0,0]=3 11166 B12R1.28 CC=CCOc1ccnc(c1)Cl 34a_100000762945_100000070051 [0,2,0,0,0,0|1,0,0]=3 11167 B12R1.28 CC=CCOc1ccnc(c1)F 34a_100000732698_100000070051 [0,2,0,0,0,0|1,0,0]=3 11168 B12R1.28 CC=CCOc1ccnc(c1)N 34a_100011834064_100000070051 [0,2,0,0,0,0|1,0,0]=3 11169 B12R1.28 CC=CCOc1cncc(c1)Br 34a_100000754920_100000070051 [0,2,0,0,0,0|1,0,0]=3 11170 B12R1.28 CC=CCOc1cncc(c1)Br 7a_100000754920_100000070051 [0,2,0,0,0,0|1,0,0]=3 11171 B12R1.28 CC=CCOc1cncc(c1)C 34a_100011830280_100000070051 [0,2,0,0,0,0|1,0,0]=3 11172 B12R1.28 CC=CCOc1cncc(c1)C 7a_100011830280_100000070051 [0,2,0,0,0,0|1,0,0]=3 11173 B12R1.28 CC=CCOc1cncc(c1)Cl 7a_100000032511_100000070051 [0,2,0,0,0,0|1,0,0]=3 11174 B12R1.28 CC=CCOc1cncc(c1)F 34a_100011830296_100000070051 [0,2,0,0,0,0|1,0,0]=3 11175 B12R1.28 CC=CCOc1cncc(c1)F 7a_100011830296_100000070051 [0,2,0,0,0,0|1,0,0]=3 11176 B12R1.28 CC=CCOc1cncc(c1)N 34a_100011997051_100000070051 [0,2,0,0,0,0|1,0,0]=3 11177 B12R1.28 CC=CCOc1cnnc(c1)Cl 34a_200010734679_100000070051 [0,2,0,0,0,0|2,0,0]=4 11178 B12R1.28 CC=CCOc1cnnc(c1)N 34a_200015193112_100000070051 [0,2,0,0,0,0|2,0,0]=4 11179 B12R1.28 CC=CCSc1cc(=O)cc[nH]1 62a_100009817434_100000070051 [0,2,0,0,0,0|1,1,0]=4 11180 B12R1.28 CC=CCSc1cc(ccn1)C 62a_100000070051_100000750283 [0,2,0,0,0,0|1,1,0]=4 11181 B12R1.28 CC=CCSc1cc(ccn1)C 62a_100000750283_100000070051 [0,2,0,0,0,0|1,1,0]=4 11182 B12R1.28 CC=CCSc1cc(ccn1)Cl 62a_100000070051_100010167805 [0,2,0,0,0,0|1,1,0]=4 11183 B12R1.28 CC=CCSc1cc(ccn1)Cl 62a_100010167805_100000070051 [0,2,0,0,0,0|1,1,0]=4 11184 B12R1.28 CC=CCSc1cc(ccn1)F 62a_100000070051_100000764206 [0,2,0,0,0,0|1,1,0]=4 11185 B12R1.28 CC=CCSc1cc(ccn1)F 62a_100000764206_100000070051 [0,2,0,0,0,0|1,1,0]=4 11186 B12R1.28 CC=CCSc1cc(ccn1)N 62a_100000070051_100009814236 [0,2,0,0,0,0|1,1,0]=4 11187 B12R1.28 CC=CCSc1cc(ccn1)N 62a_100009814236_100000070051 [0,2,0,0,0,0|1,1,0]=4 11188 B12R1.28 CC=CCSc1cc(ccn1)O 62a_100000070051_100000762945 [0,2,0,0,0,0|1,1,0]=4 11189 B12R1.28 CC=CCSc1cc[nH]c(=O)c1 62a_100000070051_100009816521 [0,2,0,0,0,0|1,1,0]=4 11190 B12R1.28 CC=CCSc1cc[nH]c(=O)c1 62a_100009816521_100000070051 [0,2,0,0,0,0|1,1,0]=4 11191 B12R1.28 CC=CCSc1ccc[n+](c1)C 62a_100000070051_100009996589 [0,2,0,0,0,0|1,1,0]=4 11192 B12R1.28 CC=CCSc1ccc[n+](c1)C 62a_100009996589_100000070051 [0,2,0,0,0,0|1,1,0]=4 11193 B12R1.28 CC=CCSc1ccc[n+](c1)[O-] 62a_100000070051_100009815978 [0,2,0,0,0,0|1,1,0]=4 11194 B12R1.28 CC=CCSc1cccc(=O)[nH]1 62a_100000070051_100000752884 [0,2,0,0,0,0|1,1,0]=4 11195 B12R1.28 CC=CCSc1cccc(c1)Br 62a_100000070051_100000691529 [0,2,0,0,0,0|0,1,0]=3 11196 B12R1.28 CC=CCSc1cccc(c1)Br 62a_100000691529_100000070051 [0,2,0,0,0,0|0,1,0]=3 11197 B12R1.28 CC=CCSc1cccc(c1)C 62a_100000070051_100011215228 [0,2,0,0,0,0|0,1,0]=3 11198 B12R1.28 CC=CCSc1cccc(c1)C 62a_100011215228_100000070051 [0,2,0,0,0,0|0,1,0]=3 11199 B12R1.28 CC=CCSc1cccc(c1)Cl 62a_100000070051_100000699651 [0,2,0,0,0,0|0,1,0]=3 11200 B12R1.28 CC=CCSc1cccc(c1)Cl 62a_100000699651_100000070051 [0,2,0,0,0,0|0,1,0]=3 11201 B12R1.28 CC=CCSc1cccc(c1)F 62a_100000070051_100000685547 [0,2,0,0,0,0|0,1,0]=3 11202 B12R1.28 CC=CCSc1cccc(c1)F 62a_100000685547_100000070051 [0,2,0,0,0,0|0,1,0]=3 11203 B12R1.28 CC=CCSc1cccc(c1)N 62a_100000070051_100000210019 [0,2,0,0,0,0|0,1,0]=3 11204 B12R1.28 CC=CCSc1cccc(c1)N 62a_100000210019_100000070051 [0,2,0,0,0,0|0,1,0]=3 11205 B12R1.28 CC=CCSc1cccc(c1)O 62a_100000070051_100000211634 [0,2,0,0,0,0|0,1,0]=3 11206 B12R1.28 CC=CCSc1cccc(c1)[S] 62a_100000070051_114929384022 [0,2,0,0,0,0|0,1,0]=3 11207 B12R1.28 CC=CCSc1cccc(c1)[S] 62a_114929384022_100000070051 [0,2,0,0,0,0|0,1,0]=3 11208 B12R1.28 CC=CCSc1cccc(n1)Br 62a_100000070051_100000684672 [0,2,0,0,0,0|1,1,0]=4 11209 B12R1.28 CC=CCSc1cccc(n1)Br 62a_100000684672_100000070051 [0,2,0,0,0,0|1,1,0]=4 11210 B12R1.28 CC=CCSc1cccc(n1)C 62a_100000070051_100000742759 [0,2,0,0,0,0|1,1,0]=4 11211 B12R1.28 CC=CCSc1cccc(n1)C 62a_100000742759_100000070051 [0,2,0,0,0,0|1,1,0]=4 11212 B12R1.28 CC=CCSc1cccc(n1)Cl 62a_100000051397_100000070051 [0,2,0,0,0,0|1,1,0]=4 11213 B12R1.28 CC=CCSc1cccc(n1)Cl 62a_100000070051_100000051397 [0,2,0,0,0,0|1,1,0]=4 11214 B12R1.28 CC=CCSc1cccc(n1)F 62a_100000070051_100009815982 [0,2,0,0,0,0|1,1,0]=4 11215 B12R1.28 CC=CCSc1cccc(n1)F 62a_100009815982_100000070051 [0,2,0,0,0,0|1,1,0]=4 11216 B12R1.28 CC=CCSc1cccc(n1)N 62a_100000070051_100000740741 [0,2,0,0,0,0|1,1,0]=4 11217 B12R1.28 CC=CCSc1cccc(n1)N 62a_100000740741_100000070051 [0,2,0,0,0,0|1,1,0]=4 11218 B12R1.28 CC=CCSc1ccnc(c1)Br 62a_100000070051_100009814637 [0,2,0,0,0,0|1,1,0]=4 11219 B12R1.28 CC=CCSc1ccnc(c1)Br 62a_100009814637_100000070051 [0,2,0,0,0,0|1,1,0]=4 11220 B12R1.28 CC=CCSc1ccnc(c1)C 62a_100000070051_100000758586 [0,2,0,0,0,0|1,1,0]=4 11221 B12R1.28 CC=CCSc1ccnc(c1)C 62a_100000758586_100000070051 [0,2,0,0,0,0|1,1,0]=4 11222 B12R1.28 CC=CCSc1ccnc(c1)Cl 62a_100000035001_100000070051 [0,2,0,0,0,0|1,1,0]=4 11223 B12R1.28 CC=CCSc1ccnc(c1)Cl 62a_100000070051_100000035001 [0,2,0,0,0,0|1,1,0]=4 11224 B12R1.28 CC=CCSc1ccnc(c1)F 62a_100000070051_100009816116 [0,2,0,0,0,0|1,1,0]=4 11225 B12R1.28 CC=CCSc1ccnc(c1)F 62a_100009816116_100000070051 [0,2,0,0,0,0|1,1,0]=4 11226 B12R1.28 CC=CCSc1ccnc(c1)N 62a_100000049665_100000070051 [0,2,0,0,0,0|1,1,0]=4 11227 B12R1.28 CC=CCSc1ccnc(c1)N 62a_100000070051_100000049665 [0,2,0,0,0,0|1,1,0]=4 11228 B12R1.28 CC=CCSc1cncc(c1)Br 62a_100000070051_100000728054 [0,2,0,0,0,0|1,1,0]=4 11229 B12R1.28 CC=CCSc1cncc(c1)Br 62a_100000728054_100000070051 [0,2,0,0,0,0|1,1,0]=4 11230 B12R1.28 CC=CCSc1cncc(c1)C 62a_100000070051_100000760492 [0,2,0,0,0,0|1,1,0]=4 11231 B12R1.28 CC=CCSc1cncc(c1)C 62a_100000760492_100000070051 [0,2,0,0,0,0|1,1,0]=4 11232 B12R1.28 CC=CCSc1cncc(c1)Cl 62a_100000049639_100000070051 [0,2,0,0,0,0|1,1,0]=4 11233 B12R1.28 CC=CCSc1cncc(c1)Cl 62a_100000070051_100000049639 [0,2,0,0,0,0|1,1,0]=4 11234 B12R1.28 CC=CCSc1cncc(c1)F 62a_100000070051_100000744099 [0,2,0,0,0,0|1,1,0]=4 11235 B12R1.28 CC=CCSc1cncc(c1)F 62a_100000744099_100000070051 [0,2,0,0,0,0|1,1,0]=4 11236 B12R1.28 CC=CCSc1cncc(c1)N 62a_100000070051_100000687067 [0,2,0,0,0,0|1,1,0]=4 11237 B12R1.28 CC=CCSc1cncc(c1)N 62a_100000687067_100000070051 [0,2,0,0,0,0|1,1,0]=4 11238 B12R1.28 CC=CCSc1cncc(c1)O 62a_100000070051_100000754920 [0,2,0,0,0,0|1,1,0]=4 11239 B12R1.28 CC=CCSc1cncc(c1)O 62a_100000754920_100000070051 [0,2,0,0,0,0|1,1,0]=4 11240 B12R1.28 CCCCOc1cccc(c1)Br 34a_100000210342_100000210210 [0,2,0,0,0,0|0,0,2]=4 11241 B12R1.28 CCCCOc1cccc(c1)Br 7a_100000210342_100000210211 [0,2,0,0,0,0|0,0,2]=4 11242 B12R1.28 CCCCOc1cccc(c1)C 34a_100000210337_100000210210 [0,2,0,0,0,0|0,0,2]=4 11243 B12R1.28 CCCCOc1cccc(c1)C 7a_100000210337_100000210211 [0,2,0,0,0,0|0,0,2]=4 11244 B12R1.28 CCCCOc1cccc(c1)Cl 34a_100000210295_100000210210 [0,2,0,0,0,0|0,0,2]=4 11245 B12R1.28 CCCCOc1cccc(c1)Cl 7a_100000210295_100000210211 [0,2,0,0,0,0|0,0,2]=4 11246 B12R1.28 CCCCOc1cccc(c1)F 34a_100000210426_100000210210 [0,2,0,0,0,0|0,0,2]=4 11247 B12R1.28 CCCCOc1cccc(c1)F 7a_100000210426_100000210211 [0,2,0,0,0,0|0,0,2]=4 11248 B12R1.28 CCCCOc1cccc(c1)I 34a_100000211634_100000210210 [0,2,0,0,0,0|0,0,2]=4 11249 B12R1.28 CCCCOc1cccc(c1)I 7a_100000211634_100000210211 [0,2,0,0,0,0|0,0,2]=4 11250 B12R1.28 CCCCOc1cccc(c1)N 34a_100000210217_100000210210 [0,2,0,0,0,0|0,0,2]=4 11251 B12R1.28 CCCCOc1cccc(c1)O 271570a_203496583355_200011212284 [0,2,0,0,0,0|0,0,2]=4 11252 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000210258_100000698116 [0,2,0,0,0,0|0,0,2]=4 11253 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000687537_100000210303 [0,2,0,0,0,0|0,0,2]=4 11254 B12R1.28 CCCOCc1cccc(c1)Br 7a_100000687537_100000210303 [0,2,0,0,0,0|0,0,2]=4 11255 B12R1.28 CCCOCc1cccc(c1)C 34a_100000210258_100000211840 [0,2,0,0,0,0|0,0,2]=4 11256 B12R1.28 CCCOCc1cccc(c1)C 34a_100011217746_100000210303 [0,2,0,0,0,0|0,0,2]=4 11257 B12R1.28 CCCOCc1cccc(c1)C 7a_100011217746_100000210303 [0,2,0,0,0,0|0,0,2]=4 11258 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000210258_100000187163 [0,2,0,0,0,0|0,0,2]=4 11259 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000241301_100000210303 [0,2,0,0,0,0|0,0,2]=4 11260 B12R1.28 CCCOCc1cccc(c1)Cl 7a_100000241301_100000210303 [0,2,0,0,0,0|0,0,2]=4 11261 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210258_100000187166 [0,2,0,0,0,0|0,0,2]=4 11262 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210976_100000210303 [0,2,0,0,0,0|0,0,2]=4 11263 B12R1.28 CCCOCc1cccc(c1)F 7a_100000210976_100000210303 [0,2,0,0,0,0|0,0,2]=4 11264 B12R1.28 CCCOCc1cccc(c1)I 34a_100000210258_100011218688 [0,2,0,0,0,0|0,0,2]=4 11265 B12R1.28 CCCOCc1cccc(c1)I 34a_100011215336_100000210303 [0,2,0,0,0,0|0,0,2]=4 11266 B12R1.28 CCCOCc1cccc(c1)I 7a_100011215336_100000210303 [0,2,0,0,0,0|0,0,2]=4 11267 B12R1.28 CCCOCc1cccc(c1)N 34a_100000211919_100000210303 [0,2,0,0,0,0|0,0,2]=4 11268 B12R1.28 CCCOCc1cccc(c1)O 34a_100000210258_100011660834 [0,2,0,0,0,0|0,0,2]=4 11269 B12R1.28 CNCCOc1cccc(c1)Br 2230a_100000743521_200000210301 [0,2,0,0,0,0|0,0,2]=4 11270 B12R1.28 CNCCOc1cccc(c1)Br 2230a_106832991635_100000183150 [0,2,0,0,0,0|0,0,2]=4 11271 B12R1.28 CNCCOc1cccc(c1)Br 34a_100000743521_200000210301 [0,2,0,0,0,0|0,0,2]=4 11272 B12R1.28 CNCCOc1cccc(c1)Br 34a_100102657272_100000183150 [0,2,0,0,0,0|0,0,2]=4 11273 B12R1.28 CNCCOc1cccc(c1)Br 7a_106832991635_100000183150 [0,2,0,0,0,0|0,0,2]=4 11274 B12R1.28 CNCCOc1cccc(c1)C 2230a_100015185188_200000210301 [0,2,0,0,0,0|0,0,2]=4 11275 B12R1.28 CNCCOc1cccc(c1)C 34a_100015185188_200000210301 [0,2,0,0,0,0|0,0,2]=4 11276 B12R1.28 CNCCOc1cccc(c1)Cl 2230a_100000740232_200000210301 [0,2,0,0,0,0|0,0,2]=4 11277 B12R1.28 CNCCOc1cccc(c1)Cl 2230a_106832991635_100000181161 [0,2,0,0,0,0|0,0,2]=4 11278 B12R1.28 CNCCOc1cccc(c1)Cl 34a_100000740232_200000210301 [0,2,0,0,0,0|0,0,2]=4 11279 B12R1.28 CNCCOc1cccc(c1)Cl 34a_100102657272_100000181161 [0,2,0,0,0,0|0,0,2]=4 11280 B12R1.28 CNCCOc1cccc(c1)Cl 7a_106832991635_100000181161 [0,2,0,0,0,0|0,0,2]=4 11281 B12R1.28 CNCCOc1cccc(c1)F 2230a_100000738948_200000210301 [0,2,0,0,0,0|0,0,2]=4 11282 B12R1.28 CNCCOc1cccc(c1)F 2230a_106832991635_100000739188 [0,2,0,0,0,0|0,0,2]=4 11283 B12R1.28 CNCCOc1cccc(c1)F 34a_100000738948_200000210301 [0,2,0,0,0,0|0,0,2]=4 11284 B12R1.28 CNCCOc1cccc(c1)F 34a_100102657272_100000739188 [0,2,0,0,0,0|0,0,2]=4 11285 B12R1.28 CNCCOc1cccc(c1)F 7a_106832991635_100000739188 [0,2,0,0,0,0|0,0,2]=4 11286 B12R1.28 CNCCOc1cccc(c1)O 271570a_203496583355_200000225663 [0,2,0,0,0,0|0,0,2]=4 11287 B12R1.28 COCCOc1cccc(c1)Br 34a_100000210342_100011201679 [0,2,0,0,0,0|0,0,2]=4 11288 B12R1.28 COCCOc1cccc(c1)Br 34a_100000757546_200000210301 [0,2,0,0,0,0|0,0,2]=4 11289 B12R1.28 COCCOc1cccc(c1)Br 34a_100138415774_100000183150 [0,2,0,0,0,0|0,0,2]=4 11290 B12R1.28 COCCOc1cccc(c1)Br 7a_100000210342_100000233755 [0,2,0,0,0,0|0,0,2]=4 11291 B12R1.28 COCCOc1cccc(c1)Br 7a_100000757546_200000210301 [0,2,0,0,0,0|0,0,2]=4 11292 B12R1.28 COCCOc1cccc(c1)C 34a_100000210337_100011201679 [0,2,0,0,0,0|0,0,2]=4 11293 B12R1.28 COCCOc1cccc(c1)C 34a_200011215094_200000210301 [0,2,0,0,0,0|0,0,2]=4 11294 B12R1.28 COCCOc1cccc(c1)C 7a_100000210337_100000233755 [0,2,0,0,0,0|0,0,2]=4 11295 B12R1.28 COCCOc1cccc(c1)C 7a_200011215094_200000210301 [0,2,0,0,0,0|0,0,2]=4 11296 B12R1.28 COCCOc1cccc(c1)Cl 34a_100000210295_100011201679 [0,2,0,0,0,0|0,0,2]=4 11297 B12R1.28 COCCOc1cccc(c1)Cl 34a_100000230539_200000210301 [0,2,0,0,0,0|0,0,2]=4 11298 B12R1.28 COCCOc1cccc(c1)Cl 34a_100138415774_100000181161 [0,2,0,0,0,0|0,0,2]=4 11299 B12R1.28 COCCOc1cccc(c1)Cl 7a_100000210295_100000233755 [0,2,0,0,0,0|0,0,2]=4 11300 B12R1.28 COCCOc1cccc(c1)Cl 7a_100000230539_200000210301 [0,2,0,0,0,0|0,0,2]=4 11301 B12R1.28 COCCOc1cccc(c1)F 34a_100000210426_100011201679 [0,2,0,0,0,0|0,0,2]=4 11302 B12R1.28 COCCOc1cccc(c1)F 34a_100138415774_100000739188 [0,2,0,0,0,0|0,0,2]=4 11303 B12R1.28 COCCOc1cccc(c1)F 7a_100000210426_100000233755 [0,2,0,0,0,0|0,0,2]=4 11304 B12R1.28 COCCOc1cccc(c1)I 34a_100000211634_100011201679 [0,2,0,0,0,0|0,0,2]=4 11305 B12R1.28 COCCOc1cccc(c1)I 7a_100000211634_100000233755 [0,2,0,0,0,0|0,0,2]=4 11306 B12R1.28 COCCOc1cccc(c1)N 34a_100000210217_100011201679 [0,2,0,0,0,0|0,0,2]=4 11307 B12R1.28 COCCOc1cccc(c1)N 34a_100011232151_200000210301 [0,2,0,0,0,0|0,0,2]=4 11308 B12R1.28 COCCOc1cccc(c1)O 271570a_203496583355_100000742273 [0,2,0,0,0,0|0,0,2]=4 11309 B12R1.28 CSCCOc1cccc(c1)Br 34a_100000210342_100000212216 [0,2,0,0,0,0|0,0,2]=4 11310 B12R1.28 CSCCOc1cccc(c1)Br 62a_100000183150_200000210301 [0,2,0,0,0,0|0,0,2]=4 11311 B12R1.28 CSCCOc1cccc(c1)Br 62a_200000210301_100000183150 [0,2,0,0,0,0|0,0,2]=4 11312 B12R1.28 CSCCOc1cccc(c1)Br 7a_100000210342_100000212216 [0,2,0,0,0,0|0,0,2]=4 11313 B12R1.28 CSCCOc1cccc(c1)C 34a_100000210337_100000212216 [0,2,0,0,0,0|0,0,2]=4 11314 B12R1.28 CSCCOc1cccc(c1)C 7a_100000210337_100000212216 [0,2,0,0,0,0|0,0,2]=4 11315 B12R1.28 CSCCOc1cccc(c1)Cl 34a_100000210295_100000212216 [0,2,0,0,0,0|0,0,2]=4 11316 B12R1.28 CSCCOc1cccc(c1)Cl 62a_100000181161_200000210301 [0,2,0,0,0,0|0,0,2]=4 11317 B12R1.28 CSCCOc1cccc(c1)Cl 62a_200000210301_100000181161 [0,2,0,0,0,0|0,0,2]=4 11318 B12R1.28 CSCCOc1cccc(c1)Cl 7a_100000210295_100000212216 [0,2,0,0,0,0|0,0,2]=4 11319 B12R1.28 CSCCOc1cccc(c1)F 34a_100000210426_100000212216 [0,2,0,0,0,0|0,0,2]=4 11320 B12R1.28 CSCCOc1cccc(c1)F 62a_100000739188_200000210301 [0,2,0,0,0,0|0,0,2]=4 11321 B12R1.28 CSCCOc1cccc(c1)F 62a_200000210301_100000739188 [0,2,0,0,0,0|0,0,2]=4 11322 B12R1.28 CSCCOc1cccc(c1)F 7a_100000210426_100000212216 [0,2,0,0,0,0|0,0,2]=4 11323 B12R1.28 CSCCOc1cccc(c1)I 34a_100000211634_100000212216 [0,2,0,0,0,0|0,0,2]=4 11324 B12R1.28 CSCCOc1cccc(c1)I 7a_100000211634_100000212216 [0,2,0,0,0,0|0,0,2]=4 11325 B12R1.28 CSCCOc1cccc(c1)N 34a_100000210217_100000212216 [0,2,0,0,0,0|0,0,2]=4 11326 B12R1.28 CSCOCc1cccc(c1)Br 34a_100000687537_100011218213 [0,2,0,0,0,0|1,0,1]=4 11327 B12R1.28 CSCOCc1cccc(c1)C 34a_100011217746_100011218213 [0,2,0,0,0,0|1,0,1]=4 11328 B12R1.28 CSCOCc1cccc(c1)Cl 34a_100000241301_100011218213 [0,2,0,0,0,0|1,0,1]=4 11329 B12R1.28 CSCOCc1cccc(c1)F 34a_100000210976_100011218213 [0,2,0,0,0,0|1,0,1]=4 11330 B12R1.28 CSCOCc1cccc(c1)I 34a_100011215336_100011218213 [0,2,0,0,0,0|1,0,1]=4 11331 B12R1.28 CSCOCc1cccc(c1)N 34a_100000211919_100011218213 [0,2,0,0,0,0|1,0,1]=4 11332 B12R1.28 Cc1cc(ccn1)COCC=O 34a_100011998630_200009817547 [0,2,0,0,0,0|2,0,0]=4 11333 B12R1.28 Cc1cccc(c1)CNCC=O 2230a_100000185548_200015260668 [0,2,0,0,0,0|2,0,0]=4 11334 B12R1.28 Cc1cccc(c1)CNCC=O 34a_100000185548_200009817547 [0,2,0,0,0,0|2,0,0]=4 11335 B12R1.28 Cc1cccc(c1)COCC#N 7a_100011217746_100011215382 [0,2,0,0,0,0|1,0,1]=4 11336 B12R1.28 Cc1cccc(c1)COCC=O 34a_100011217746_200009817547 [0,2,0,0,0,0|1,0,0]=3 11337 B12R1.28 Cc1cccc(c1)COCC=O 7a_100011217746_200015260668 [0,2,0,0,0,0|1,0,0]=3 11338 B12R1.28 Cc1cccc(c1)COCCBr 34a_100000211926_100000211840 [0,2,0,0,0,0|1,0,1]=4 11339 B12R1.28 Cc1cccc(c1)COCCF 34a_100011217746_100011217306 [0,2,0,0,0,0|1,0,1]=4 11340 B12R1.28 Cc1cccc(c1)COCCF 7a_100011217746_100011217306 [0,2,0,0,0,0|1,0,1]=4 11341 B12R1.28 Cc1cccc(c1)COCCN 34a_100000210304_100000211840 [0,2,0,0,0,0|1,0,1]=4 11342 B12R1.28 Cc1cccc(c1)COCCO 34a_100011217746_100000211926 [0,2,0,0,0,0|1,0,1]=4 11343 B12R1.28 Cc1cccc(c1)COCCO 7a_100011217746_100000211926 [0,2,0,0,0,0|1,0,1]=4 11344 B12R1.28 Cc1cccc(c1)CSCC=O 62a_100000211840_200015260668 [0,2,0,0,0,0|1,1,0]=4 11345 B12R1.28 Cc1cccc(c1)CSCC=O 62a_200015260668_100000211840 [0,2,0,0,0,0|1,1,0]=4 11346 B12R1.28 Cc1cccc(c1)OCCC#N 7a_100000210337_100000184422 [0,2,0,0,0,0|0,0,2]=4 11347 B12R1.28 Cc1cccc(c1)OCCCF 34a_100000210337_100011934791 [0,2,0,0,0,0|0,0,2]=4 11348 B12R1.28 Cc1cccc(c1)OCCCF 7a_100000210337_100011934791 [0,2,0,0,0,0|0,0,2]=4 11349 B12R1.28 Cc1cccc(c1)OCCCO 34a_100000210337_100000230001 [0,2,0,0,0,0|0,0,2]=4 11350 B12R1.28 Cc1cccc(c1)OCCCO 7a_100000210337_100011215043 [0,2,0,0,0,0|0,0,2]=4 11351 B12R1.28 Cc1cccc(c1)OCCN[13CH3] 2230a_100015185188_200025704644 [0,2,0,0,0,0|0,0,2]=4 11352 B12R1.28 Cc1cccc(c1)OCCN[13CH3] 34a_100015185188_200025704644 [0,2,0,0,0,0|0,0,2]=4 11353 B12R1.28 Cc1cccc(c1)OCCO[13CH3] 34a_200011215094_200025704644 [0,2,0,0,0,0|0,0,2]=4 11354 B12R1.28 Cc1cccc(c1)OCCO[13CH3] 7a_200011215094_200025704644 [0,2,0,0,0,0|0,0,2]=4 11355 B12R1.28 Cc1cccc(n1)COCC=O 34a_100000690600_200009817547 [0,2,0,0,0,0|2,0,0]=4 11356 B12R1.28 Cc1ccnc(c1)COCC=O 34a_100011998357_200009817547 [0,2,0,0,0,0|2,0,0]=4 11357 B12R1.28 Cc1cncc(c1)COCC=O 34a_100011998709_200009817547 [0,2,0,0,0,0|2,0,0]=4 11358 B12R1.28 Cc1cncc(c1)COCC=O 7a_100011998709_200015260668 [0,2,0,0,0,0|2,0,0]=4 11359 B12R1.28 Clc1cccc(c1)COCCBr 34a_100000211926_100000187163 [0,2,0,0,0,0|1,0,1]=4 11360 B12R1.28 FCCCOc1cccc(c1)Br 34a_100000210342_100011934791 [0,2,0,0,0,0|0,0,2]=4 11361 B12R1.28 FCCCOc1cccc(c1)Br 7a_100000210342_100011934791 [0,2,0,0,0,0|0,0,2]=4 11362 B12R1.28 FCCCOc1cccc(c1)Cl 34a_100000210295_100011934791 [0,2,0,0,0,0|0,0,2]=4 11363 B12R1.28 FCCCOc1cccc(c1)Cl 7a_100000210295_100011934791 [0,2,0,0,0,0|0,0,2]=4 11364 B12R1.28 FCCCOc1cccc(c1)F 34a_100000210426_100011934791 [0,2,0,0,0,0|0,0,2]=4 11365 B12R1.28 FCCCOc1cccc(c1)F 7a_100000210426_100011934791 [0,2,0,0,0,0|0,0,2]=4 11366 B12R1.28 FCCCOc1cccc(c1)I 34a_100000211634_100011934791 [0,2,0,0,0,0|0,0,2]=4 11367 B12R1.28 FCCCOc1cccc(c1)I 7a_100000211634_100011934791 [0,2,0,0,0,0|0,0,2]=4 11368 B12R1.28 FCCOCc1cccc(c1)Br 34a_100000687537_100011217306 [0,2,0,0,0,0|1,0,1]=4 11369 B12R1.28 FCCOCc1cccc(c1)Br 7a_100000687537_100011217306 [0,2,0,0,0,0|1,0,1]=4 11370 B12R1.28 FCCOCc1cccc(c1)Cl 34a_100000241301_100011217306 [0,2,0,0,0,0|1,0,1]=4 11371 B12R1.28 FCCOCc1cccc(c1)Cl 7a_100000241301_100011217306 [0,2,0,0,0,0|1,0,1]=4 11372 B12R1.28 FCCOCc1cccc(c1)F 34a_100000210976_100011217306 [0,2,0,0,0,0|1,0,1]=4 11373 B12R1.28 FCCOCc1cccc(c1)F 7a_100000210976_100011217306 [0,2,0,0,0,0|1,0,1]=4 11374 B12R1.28 FCCOCc1cccc(c1)I 34a_100011215336_100011217306 [0,2,0,0,0,0|1,0,1]=4 11375 B12R1.28 FCCOCc1cccc(c1)I 7a_100011215336_100011217306 [0,2,0,0,0,0|1,0,1]=4 11376 B12R1.28 Fc1cccc(c1)COCCBr 34a_100000211926_100000187166 [0,2,0,0,0,0|1,0,1]=4 11377 B12R1.28 N#CCCOc1cccc(c1)Br 7a_100000210342_100000184422 [0,2,0,0,0,0|0,0,2]=4 11378 B12R1.28 N#CCCOc1cccc(c1)Cl 7a_100000210295_100000184422 [0,2,0,0,0,0|0,0,2]=4 11379 B12R1.28 N#CCCOc1cccc(c1)F 7a_100000210426_100000184422 [0,2,0,0,0,0|0,0,2]=4 11380 B12R1.28 N#CCCOc1cccc(c1)I 7a_100000211634_100000184422 [0,2,0,0,0,0|0,0,2]=4 11381 B12R1.28 N#CCOCc1cccc(c1)Br 7a_100000687537_100011215382 [0,2,0,0,0,0|1,0,1]=4 11382 B12R1.28 N#CCOCc1cccc(c1)Cl 7a_100000241301_100011215382 [0,2,0,0,0,0|1,0,1]=4 11383 B12R1.28 N#CCOCc1cccc(c1)F 7a_100000210976_100011215382 [0,2,0,0,0,0|1,0,1]=4 11384 B12R1.28 N#CCOCc1cccc(c1)I 7a_100011215336_100011215382 [0,2,0,0,0,0|1,0,1]=4 11385 B12R1.28 NCCOCc1cccc(c1)Br 34a_100000210304_100000698116 [0,2,0,0,0,0|1,0,1]=4 11386 B12R1.28 NCCOCc1cccc(c1)Cl 34a_100000210304_100000187163 [0,2,0,0,0,0|1,0,1]=4 11387 B12R1.28 NCCOCc1cccc(c1)F 34a_100000210304_100000187166 [0,2,0,0,0,0|1,0,1]=4 11388 B12R1.28 NCCOCc1cccc(c1)I 34a_100000210304_100011218688 [0,2,0,0,0,0|1,0,1]=4 11389 B12R1.28 NCCOCc1cccc(c1)O 34a_100000210304_100011660834 [0,2,0,0,0,0|1,0,1]=4 11390 B12R1.28 Nc1cccc(c1)COCC=O 34a_100000211919_200009817547 [0,2,0,0,0,0|1,0,0]=3 11391 B12R1.28 Nc1cccc(c1)COCCF 34a_100000211919_100011217306 [0,2,0,0,0,0|1,0,1]=4 11392 B12R1.28 Nc1cccc(c1)COCCO 34a_100000211919_100000211926 [0,2,0,0,0,0|1,0,1]=4 11393 B12R1.28 Nc1cccc(c1)OCCCF 34a_100000210217_100011934791 [0,2,0,0,0,0|0,0,2]=4 11394 B12R1.28 Nc1cccc(c1)OCCCO 34a_100000210217_100000230001 [0,2,0,0,0,0|0,0,2]=4 11395 B12R1.28 Nc1ccnc(c1)COCC=O 34a_100000692640_200009817547 [0,2,0,0,0,0|2,0,0]=4 11396 B12R1.28 Nc1cncc(c1)COCC=O 34a_100000085308_200009817547 [0,2,0,0,0,0|2,0,0]=4 11397 B12R1.28 O=CCNCc1cccc(c1)Br 2230a_100000174977_200015260668 [0,2,0,0,0,0|2,0,0]=4 11398 B12R1.28 O=CCNCc1cccc(c1)Br 34a_100000174977_200009817547 [0,2,0,0,0,0|2,0,0]=4 11399 B12R1.28 O=CCNCc1cccc(c1)Cl 2230a_100000174878_200015260668 [0,2,0,0,0,0|2,0,0]=4 11400 B12R1.28 O=CCNCc1cccc(c1)Cl 34a_100000174878_200009817547 [0,2,0,0,0,0|2,0,0]=4 11401 B12R1.28 O=CCNCc1cccc(c1)F 2230a_100000174948_200015260668 [0,2,0,0,0,0|2,0,0]=4 11402 B12R1.28 O=CCNCc1cccc(c1)F 34a_100000174948_200009817547 [0,2,0,0,0,0|2,0,0]=4 11403 B12R1.28 O=CCNCc1cccc(c1)I 2230a_100000106179_200015260668 [0,2,0,0,0,0|2,0,0]=4 11404 B12R1.28 O=CCNCc1cccc(c1)I 34a_100000106179_200009817547 [0,2,0,0,0,0|2,0,0]=4 11405 B12R1.28 O=CCNCc1cccc(c1)O 2230a_100000743036_200015260668 [0,2,0,0,0,0|2,0,0]=4 11406 B12R1.28 O=CCNCc1cccc(c1)O 34a_100000743036_200009817547 [0,2,0,0,0,0|2,0,0]=4 11407 B12R1.28 O=CCOCc1cc(ccn1)Cl 34a_100000748867_200009817547 [0,2,0,0,0,0|2,0,0]=4 11408 B12R1.28 O=CCOCc1ccc[n+](c1)[O-] 34a_100000037817_200009817547 [0,2,0,0,0,0|2,0,0]=4 11409 B12R1.28 O=CCOCc1ccc[n+](c1)[O-] 7a_100000037817_200015260668 [0,2,0,0,0,0|2,0,0]=4 11410 B12R1.28 O=CCOCc1cccc(c1)Br 34a_100000687537_200009817547 [0,2,0,0,0,0|1,0,0]=3 11411 B12R1.28 O=CCOCc1cccc(c1)Br 7a_100000687537_200015260668 [0,2,0,0,0,0|1,0,0]=3 11412 B12R1.28 O=CCOCc1cccc(c1)Cl 34a_100000241301_200009817547 [0,2,0,0,0,0|1,0,0]=3 11413 B12R1.28 O=CCOCc1cccc(c1)Cl 7a_100000241301_200015260668 [0,2,0,0,0,0|1,0,0]=3 11414 B12R1.28 O=CCOCc1cccc(c1)F 34a_100000210976_200009817547 [0,2,0,0,0,0|1,0,0]=3 11415 B12R1.28 O=CCOCc1cccc(c1)F 7a_100000210976_200015260668 [0,2,0,0,0,0|1,0,0]=3 11416 B12R1.28 O=CCOCc1cccc(c1)I 34a_100011215336_200009817547 [0,2,0,0,0,0|1,0,0]=3 11417 B12R1.28 O=CCOCc1cccc(c1)I 7a_100011215336_200015260668 [0,2,0,0,0,0|1,0,0]=3 11418 B12R1.28 O=CCOCc1cccc(n1)Br 34a_100000694195_200009817547 [0,2,0,0,0,0|2,0,0]=4 11419 B12R1.28 O=CCOCc1cccc(n1)Cl 34a_100011998359_200009817547 [0,2,0,0,0,0|2,0,0]=4 11420 B12R1.28 O=CCOCc1cccc(n1)F 34a_100000086748_200009817547 [0,2,0,0,0,0|2,0,0]=4 11421 B12R1.28 O=CCOCc1ccnc(c1)Br 34a_100009814636_200009817547 [0,2,0,0,0,0|2,0,0]=4 11422 B12R1.28 O=CCOCc1ccnc(c1)Br 7a_100009814636_200015260668 [0,2,0,0,0,0|2,0,0]=4 11423 B12R1.28 O=CCOCc1ccnc(c1)Cl 34a_100000748751_200009817547 [0,2,0,0,0,0|2,0,0]=4 11424 B12R1.28 O=CCOCc1ccnc(c1)F 34a_100000082451_200009817547 [0,2,0,0,0,0|2,0,0]=4 11425 B12R1.28 O=CCOCc1cncc(c1)Br 34a_100011259137_200009817547 [0,2,0,0,0,0|2,0,0]=4 11426 B12R1.28 O=CCOCc1cncc(c1)Br 7a_100011259137_200015260668 [0,2,0,0,0,0|2,0,0]=4 11427 B12R1.28 O=CCOCc1cncc(c1)Cl 34a_100000092867_200009817547 [0,2,0,0,0,0|2,0,0]=4 11428 B12R1.28 O=CCOCc1cncc(c1)Cl 7a_100000092867_200015260668 [0,2,0,0,0,0|2,0,0]=4 11429 B12R1.28 O=CCOCc1cncc(c1)F 34a_100011962875_200009817547 [0,2,0,0,0,0|2,0,0]=4 11430 B12R1.28 O=CCOCc1cncc(c1)F 7a_100011962875_200015260668 [0,2,0,0,0,0|2,0,0]=4 11431 B12R1.28 O=CCSCc1cccc(c1)Br 62a_100000211773_200015260668 [0,2,0,0,0,0|1,1,0]=4 11432 B12R1.28 O=CCSCc1cccc(c1)Br 62a_200015260668_100000211773 [0,2,0,0,0,0|1,1,0]=4 11433 B12R1.28 O=CCSCc1cccc(c1)Cl 62a_100000187163_200015260668 [0,2,0,0,0,0|1,1,0]=4 11434 B12R1.28 O=CCSCc1cccc(c1)Cl 62a_200015260668_100000187163 [0,2,0,0,0,0|1,1,0]=4 11435 B12R1.28 O=CCSCc1cccc(c1)F 62a_100000230114_200015260668 [0,2,0,0,0,0|1,1,0]=4 11436 B12R1.28 O=CCSCc1cccc(c1)F 62a_200015260668_100000230114 [0,2,0,0,0,0|1,1,0]=4 11437 B12R1.28 O=CCSCc1cccc(c1)I 62a_100011218688_200015260668 [0,2,0,0,0,0|1,1,0]=4 11438 B12R1.28 O=CCSCc1cccc(c1)I 62a_200015260668_100011218688 [0,2,0,0,0,0|1,1,0]=4 11439 B12R1.28 O=CCSCc1cccc(c1)O 62a_100011660834_200015260668 [0,2,0,0,0,0|1,1,0]=4 11440 B12R1.28 O=CCSCc1cccc(c1)O 62a_200015260668_100011660834 [0,2,0,0,0,0|1,1,0]=4 11441 B12R1.28 OCCCOc1cccc(c1)Br 34a_100000210342_100000230001 [0,2,0,0,0,0|0,0,2]=4 11442 B12R1.28 OCCCOc1cccc(c1)Br 7a_100000210342_100011215043 [0,2,0,0,0,0|0,0,2]=4 11443 B12R1.28 OCCCOc1cccc(c1)Cl 34a_100000210295_100000230001 [0,2,0,0,0,0|0,0,2]=4 11444 B12R1.28 OCCCOc1cccc(c1)Cl 7a_100000210295_100011215043 [0,2,0,0,0,0|0,0,2]=4 11445 B12R1.28 OCCCOc1cccc(c1)F 34a_100000210426_100000230001 [0,2,0,0,0,0|0,0,2]=4 11446 B12R1.28 OCCCOc1cccc(c1)F 7a_100000210426_100011215043 [0,2,0,0,0,0|0,0,2]=4 11447 B12R1.28 OCCCOc1cccc(c1)I 34a_100000211634_100000230001 [0,2,0,0,0,0|0,0,2]=4 11448 B12R1.28 OCCCOc1cccc(c1)I 7a_100000211634_100011215043 [0,2,0,0,0,0|0,0,2]=4 11449 B12R1.28 OCCOCc1cccc(c1)Br 34a_100000687537_100000211926 [0,2,0,0,0,0|1,0,1]=4 11450 B12R1.28 OCCOCc1cccc(c1)Br 7a_100000687537_100000211926 [0,2,0,0,0,0|1,0,1]=4 11451 B12R1.28 OCCOCc1cccc(c1)Cl 34a_100000241301_100000211926 [0,2,0,0,0,0|1,0,1]=4 11452 B12R1.28 OCCOCc1cccc(c1)Cl 7a_100000241301_100000211926 [0,2,0,0,0,0|1,0,1]=4 11453 B12R1.28 OCCOCc1cccc(c1)F 34a_100000210976_100000211926 [0,2,0,0,0,0|1,0,1]=4 11454 B12R1.28 OCCOCc1cccc(c1)F 7a_100000210976_100000211926 [0,2,0,0,0,0|1,0,1]=4 11455 B12R1.28 OCCOCc1cccc(c1)I 34a_100011215336_100000211926 [0,2,0,0,0,0|1,0,1]=4 11456 B12R1.28 OCCOCc1cccc(c1)I 7a_100011215336_100000211926 [0,2,0,0,0,0|1,0,1]=4 11457 B12R1.28 Oc1cccc(c1)COCCBr 34a_100000211926_100011660834 [0,2,0,0,0,0|1,0,1]=4 11458 B12R1.28 [13CH3]NCCOc1cccc(c1)Br 2230a_100000743521_200025704644 [0,2,0,0,0,0|0,0,2]=4 11459 B12R1.28 [13CH3]NCCOc1cccc(c1)Br 34a_100000743521_200025704644 [0,2,0,0,0,0|0,0,2]=4 11460 B12R1.28 [13CH3]NCCOc1cccc(c1)Cl 2230a_100000740232_200025704644 [0,2,0,0,0,0|0,0,2]=4 11461 B12R1.28 [13CH3]NCCOc1cccc(c1)Cl 34a_100000740232_200025704644 [0,2,0,0,0,0|0,0,2]=4 11462 B12R1.28 [13CH3]NCCOc1cccc(c1)F 2230a_100000738948_200025704644 [0,2,0,0,0,0|0,0,2]=4 11463 B12R1.28 [13CH3]NCCOc1cccc(c1)F 34a_100000738948_200025704644 [0,2,0,0,0,0|0,0,2]=4 11464 B12R1.28 [13CH3]OCCOc1cccc(c1)Br 34a_100000757546_200025704644 [0,2,0,0,0,0|0,0,2]=4 11465 B12R1.28 [13CH3]OCCOc1cccc(c1)Br 7a_100000757546_200025704644 [0,2,0,0,0,0|0,0,2]=4 11466 B12R1.28 [13CH3]OCCOc1cccc(c1)Cl 34a_100000230539_200025704644 [0,2,0,0,0,0|0,0,2]=4 11467 B12R1.28 [13CH3]OCCOc1cccc(c1)Cl 7a_100000230539_200025704644 [0,2,0,0,0,0|0,0,2]=4 11468 B12R1.28 [13CH3]OCCOc1cccc(c1)N 34a_100011232151_200025704644 [0,2,0,0,0,0|0,0,2]=4 11469 B12R1.28 [13CH3]SCCOc1cccc(c1)Br 62a_100000183150_200025704644 [0,2,0,0,0,0|0,0,2]=4 11470 B12R1.28 [13CH3]SCCOc1cccc(c1)Br 62a_200025704644_100000183150 [0,2,0,0,0,0|0,0,2]=4 11471 B12R1.28 [13CH3]SCCOc1cccc(c1)Cl 62a_100000181161_200025704644 [0,2,0,0,0,0|0,0,2]=4 11472 B12R1.28 [13CH3]SCCOc1cccc(c1)Cl 62a_200025704644_100000181161 [0,2,0,0,0,0|0,0,2]=4 11473 B12R1.28 [13CH3]SCCOc1cccc(c1)F 62a_100000739188_200025704644 [0,2,0,0,0,0|0,0,2]=4 11474 B12R1.28 [13CH3]SCCOc1cccc(c1)F 62a_200025704644_100000739188 [0,2,0,0,0,0|0,0,2]=4 11475 B12R1.50 C#CC(C)Oc1cccc(c1)Br 34a_100000210342_200000035995 [0,2,0,0,0,0|0,0,2]=4 11476 B12R1.50 C#CC(C)Oc1cccc(c1)C 34a_100000210337_200000035995 [0,2,0,0,0,0|0,0,2]=4 11477 B12R1.50 C#CC(C)Oc1cccc(c1)Cl 34a_100000210295_200000035995 [0,2,0,0,0,0|0,0,2]=4 11478 B12R1.50 C#CC(C)Oc1cccc(c1)F 34a_100000210426_200000035995 [0,2,0,0,0,0|0,0,2]=4 11479 B12R1.50 C#CC(C)Oc1cccc(c1)I 34a_100000211634_200000035995 [0,2,0,0,0,0|0,0,2]=4 11480 B12R1.50 C#CC(C)Oc1cccc(c1)N 34a_100000210217_200000035995 [0,2,0,0,0,0|0,0,2]=4 11481 B12R1.50 C=CC(=O)Cc1cccc(c1)Br 1458a_100000185746_100000211773 [0,2,0,0,0,0|1,0,1]=4 11482 B12R1.50 C=CC(=O)Cc1cccc(c1)C 1458a_100000185746_100000211840 [0,2,0,0,0,0|1,0,1]=4 11483 B12R1.50 C=CC(=O)Cc1cccc(c1)Cl 1458a_100000185746_100000181238 [0,2,0,0,0,0|1,0,1]=4 11484 B12R1.50 C=CC(=O)Cc1cccc(c1)F 1458a_100000185746_100000230114 [0,2,0,0,0,0|1,0,1]=4 11485 B12R1.50 C=CC(=O)Cc1cccc(c1)I 1458a_100000185746_100011218688 [0,2,0,0,0,0|1,0,1]=4 11486 B12R1.50 C=CC(=O)Cc1cccc(c1)O 1458a_100000185746_100011660834 [0,2,0,0,0,0|1,0,1]=4 11487 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000185746 [0,2,0,0,0,0|1,0,1]=4 11488 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000185746 [0,2,0,0,0,0|1,0,1]=4 11489 B12R1.50 C=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000185746 [0,2,0,0,0,0|1,0,1]=4 11490 B12R1.50 C=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000185746 [0,2,0,0,0,0|1,0,1]=4 11491 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000185746 [0,2,0,0,0,0|1,0,1]=4 11492 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000185746 [0,2,0,0,0,0|1,0,1]=4 11493 B12R1.50 C=CC(=O)Nc1cccc(c1)F 1626a_100000210047_100000185746 [0,2,0,0,0,0|1,0,1]=4 11494 B12R1.50 C=CC(=O)Nc1cccc(c1)F 22a_100000210047_100000185746 [0,2,0,0,0,0|1,0,1]=4 11495 B12R1.50 C=CC(=O)Nc1cccc(c1)I 1626a_100000211102_100000185746 [0,2,0,0,0,0|1,0,1]=4 11496 B12R1.50 C=CC(=O)Nc1cccc(c1)I 22a_100000211102_100000185746 [0,2,0,0,0,0|1,0,1]=4 11497 B12R1.50 C=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000185746 [0,2,0,0,0,0|1,0,1]=4 11498 B12R1.50 C=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000185746 [0,2,0,0,0,0|1,0,1]=4 11499 B12R1.50 C=CC(C)Sc1cc(ccn1)C 62a_100011215867_100000750283 [0,2,0,0,0,0|1,1,0]=4 11500 B12R1.50 C=CC(C)Sc1cc(ccn1)Cl 62a_100011215867_100010167805 [0,2,0,0,0,0|1,1,0]=4 11501 B12R1.50 C=CC(C)Sc1cc(ccn1)F 62a_100011215867_100000764206 [0,2,0,0,0,0|1,1,0]=4 11502 B12R1.50 C=CC(C)Sc1cc(ccn1)N 62a_100011215867_100009814236 [0,2,0,0,0,0|1,1,0]=4 11503 B12R1.50 C=CC(C)Sc1cc(ccn1)O 62a_100011215867_100000762945 [0,2,0,0,0,0|1,1,0]=4 11504 B12R1.50 C=CC(C)Sc1cc[nH]c(=O)c1 62a_100011215867_100009816521 [0,2,0,0,0,0|1,1,0]=4 11505 B12R1.50 C=CC(C)Sc1ccc[n+](c1)C 62a_100011215867_100009996589 [0,2,0,0,0,0|1,1,0]=4 11506 B12R1.50 C=CC(C)Sc1ccc[n+](c1)[O-] 62a_100011215867_100009815978 [0,2,0,0,0,0|1,1,0]=4 11507 B12R1.50 C=CC(C)Sc1cccc(=O)[nH]1 62a_100011215867_100000752884 [0,2,0,0,0,0|1,1,0]=4 11508 B12R1.50 C=CC(C)Sc1cccc(c1)Br 62a_100011215867_100000691529 [0,2,0,0,0,0|0,1,0]=3 11509 B12R1.50 C=CC(C)Sc1cccc(c1)C 62a_100011215867_100011215228 [0,2,0,0,0,0|0,1,0]=3 11510 B12R1.50 C=CC(C)Sc1cccc(c1)Cl 62a_100011215867_100000699651 [0,2,0,0,0,0|0,1,0]=3 11511 B12R1.50 C=CC(C)Sc1cccc(c1)F 62a_100011215867_100000685547 [0,2,0,0,0,0|0,1,0]=3 11512 B12R1.50 C=CC(C)Sc1cccc(c1)N 62a_100011215867_100000210019 [0,2,0,0,0,0|0,1,0]=3 11513 B12R1.50 C=CC(C)Sc1cccc(c1)O 62a_100011215867_100000211634 [0,2,0,0,0,0|0,1,0]=3 11514 B12R1.50 C=CC(C)Sc1cccc(c1)[S] 62a_100011215867_114929384022 [0,2,0,0,0,0|0,1,0]=3 11515 B12R1.50 C=CC(C)Sc1cccc(n1)Br 62a_100011215867_100000684672 [0,2,0,0,0,0|1,1,0]=4 11516 B12R1.50 C=CC(C)Sc1cccc(n1)C 62a_100011215867_100000742759 [0,2,0,0,0,0|1,1,0]=4 11517 B12R1.50 C=CC(C)Sc1cccc(n1)Cl 62a_100011215867_100000051397 [0,2,0,0,0,0|1,1,0]=4 11518 B12R1.50 C=CC(C)Sc1cccc(n1)F 62a_100011215867_100009815982 [0,2,0,0,0,0|1,1,0]=4 11519 B12R1.50 C=CC(C)Sc1cccc(n1)N 62a_100011215867_100000740741 [0,2,0,0,0,0|1,1,0]=4 11520 B12R1.50 C=CC(C)Sc1ccnc(c1)Br 62a_100011215867_100009814637 [0,2,0,0,0,0|1,1,0]=4 11521 B12R1.50 C=CC(C)Sc1ccnc(c1)C 62a_100011215867_100000758586 [0,2,0,0,0,0|1,1,0]=4 11522 B12R1.50 C=CC(C)Sc1ccnc(c1)Cl 62a_100011215867_100000035001 [0,2,0,0,0,0|1,1,0]=4 11523 B12R1.50 C=CC(C)Sc1ccnc(c1)F 62a_100011215867_100009816116 [0,2,0,0,0,0|1,1,0]=4 11524 B12R1.50 C=CC(C)Sc1ccnc(c1)N 62a_100011215867_100000049665 [0,2,0,0,0,0|1,1,0]=4 11525 B12R1.50 C=CC(C)Sc1cncc(c1)Br 62a_100011215867_100000728054 [0,2,0,0,0,0|1,1,0]=4 11526 B12R1.50 C=CC(C)Sc1cncc(c1)C 62a_100011215867_100000760492 [0,2,0,0,0,0|1,1,0]=4 11527 B12R1.50 C=CC(C)Sc1cncc(c1)Cl 62a_100011215867_100000049639 [0,2,0,0,0,0|1,1,0]=4 11528 B12R1.50 C=CC(C)Sc1cncc(c1)F 62a_100011215867_100000744099 [0,2,0,0,0,0|1,1,0]=4 11529 B12R1.50 C=CC(C)Sc1cncc(c1)N 62a_100011215867_100000687067 [0,2,0,0,0,0|1,1,0]=4 11530 B12R1.50 C=CC(C)Sc1cncc(c1)O 62a_100011215867_100000754920 [0,2,0,0,0,0|1,1,0]=4 11531 B12R1.50 CC(C#N)Oc1cccc(c1)Br 7a_100000210342_100000703298 [0,2,0,0,0,0|1,0,1]=4 11532 B12R1.50 CC(C#N)Oc1cccc(c1)Cl 7a_100000210295_100000703298 [0,2,0,0,0,0|1,0,1]=4 11533 B12R1.50 CC(C#N)Oc1cccc(c1)F 7a_100000210426_100000703298 [0,2,0,0,0,0|1,0,1]=4 11534 B12R1.50 CC(C#N)Oc1cccc(c1)I 7a_100000211634_100000703298 [0,2,0,0,0,0|1,0,1]=4 11535 B12R1.50 CC(CO)Oc1cccc(c1)Br 34a_100000210342_100012180447 [0,2,0,0,0,0|1,0,1]=4 11536 B12R1.50 CC(CO)Oc1cccc(c1)Br 7a_100000210342_100012180447 [0,2,0,0,0,0|1,0,1]=4 11537 B12R1.50 CC(CO)Oc1cccc(c1)Cl 34a_100000210295_100012180447 [0,2,0,0,0,0|1,0,1]=4 11538 B12R1.50 CC(CO)Oc1cccc(c1)Cl 7a_100000210295_100012180447 [0,2,0,0,0,0|1,0,1]=4 11539 B12R1.50 CC(CO)Oc1cccc(c1)F 34a_100000210426_100012180447 [0,2,0,0,0,0|1,0,1]=4 11540 B12R1.50 CC(CO)Oc1cccc(c1)F 7a_100000210426_100012180447 [0,2,0,0,0,0|1,0,1]=4 11541 B12R1.50 CC(CO)Oc1cccc(c1)I 34a_100000211634_100012180447 [0,2,0,0,0,0|1,0,1]=4 11542 B12R1.50 CC(CO)Oc1cccc(c1)I 7a_100000211634_100012180447 [0,2,0,0,0,0|1,0,1]=4 11543 B12R1.50 CC(CO)Oc1cccc(c1)N 34a_100000210217_100012180447 [0,2,0,0,0,0|1,0,1]=4 11544 B12R1.50 CCC(C)Oc1cccc(c1)Br 34a_100000210342_100011215416 [0,2,0,0,0,0|0,0,2]=4 11545 B12R1.50 CCC(C)Oc1cccc(c1)Br 7a_100000210342_100000758301 [0,2,0,0,0,0|0,0,2]=4 11546 B12R1.50 CCC(C)Oc1cccc(c1)C 34a_100000210337_100011215416 [0,2,0,0,0,0|0,0,2]=4 11547 B12R1.50 CCC(C)Oc1cccc(c1)C 7a_100000210337_100000758301 [0,2,0,0,0,0|0,0,2]=4 11548 B12R1.50 CCC(C)Oc1cccc(c1)Cl 34a_100000210295_100011215416 [0,2,0,0,0,0|0,0,2]=4 11549 B12R1.50 CCC(C)Oc1cccc(c1)Cl 7a_100000210295_100000758301 [0,2,0,0,0,0|0,0,2]=4 11550 B12R1.50 CCC(C)Oc1cccc(c1)F 34a_100000210426_100011215416 [0,2,0,0,0,0|0,0,2]=4 11551 B12R1.50 CCC(C)Oc1cccc(c1)F 7a_100000210426_100000758301 [0,2,0,0,0,0|0,0,2]=4 11552 B12R1.50 CCC(C)Oc1cccc(c1)I 34a_100000211634_100011215416 [0,2,0,0,0,0|0,0,2]=4 11553 B12R1.50 CCC(C)Oc1cccc(c1)I 7a_100000211634_100000758301 [0,2,0,0,0,0|0,0,2]=4 11554 B12R1.50 CCC(C)Oc1cccc(c1)N 34a_100000210217_100011215416 [0,2,0,0,0,0|0,0,2]=4 11555 B12R1.50 CCC(C)Oc1cccc(c1)O 271570a_203496583355_200011236628 [0,2,0,0,0,0|0,0,2]=4 11556 B12R1.50 Cc1cccc(c1)OC(C)C#N 7a_100000210337_100000703298 [0,2,0,0,0,0|1,0,1]=4 11557 B12R1.50 Cc1cccc(c1)OC(C)CO 34a_100000210337_100012180447 [0,2,0,0,0,0|1,0,1]=4 11558 B12R1.50 Cc1cccc(c1)OC(C)CO 7a_100000210337_100012180447 [0,2,0,0,0,0|1,0,1]=4 11559 B12R1.100 C#CCOc1cc(cc(c1)Br)Br 34a_100010167048_100000184674 [0,2,0,0,0,0|0,0,2]=4 11560 B12R1.100 C#CCOc1cc(cc(c1)Br)Br 7a_100010167048_100000038162 [0,2,0,0,0,0|0,0,2]=4 11561 B12R1.100 C#CCOc1cc(cc(c1)Br)C 34a_100011999630_100000184674 [0,2,0,0,0,0|0,0,2]=4 11562 B12R1.100 C#CCOc1cc(cc(c1)Br)C 7a_100011999630_100000038162 [0,2,0,0,0,0|0,0,2]=4 11563 B12R1.100 C#CCOc1cc(cc(c1)Br)Cl 34a_100010185897_100000184674 [0,2,0,0,0,0|0,0,2]=4 11564 B12R1.100 C#CCOc1cc(cc(c1)Br)Cl 7a_100010185897_100000038162 [0,2,0,0,0,0|0,0,2]=4 11565 B12R1.100 C#CCOc1cc(cc(c1)Br)F 34a_100000688818_100000184674 [0,2,0,0,0,0|0,0,2]=4 11566 B12R1.100 C#CCOc1cc(cc(c1)Br)F 7a_100000688818_100000038162 [0,2,0,0,0,0|0,0,2]=4 11567 B12R1.100 C#CCOc1cc(cc(c1)C)C 34a_100000210933_100000184674 [0,2,0,0,0,0|0,0,2]=4 11568 B12R1.100 C#CCOc1cc(cc(c1)C)C 7a_100000210933_100000038162 [0,2,0,0,0,0|0,0,2]=4 11569 B12R1.100 C#CCOc1cc(cc(c1)Cl)C 34a_100000087485_100000184674 [0,2,0,0,0,0|0,0,2]=4 11570 B12R1.100 C#CCOc1cc(cc(c1)Cl)C 7a_100000087485_100000038162 [0,2,0,0,0,0|0,0,2]=4 11571 B12R1.100 C#CCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100000184674 [0,2,0,0,0,0|0,0,2]=4 11572 B12R1.100 C#CCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100000038162 [0,2,0,0,0,0|0,0,2]=4 11573 B12R1.100 C#CCOc1cc(cc(c1)Cl)F 34a_100011219751_100000184674 [0,2,0,0,0,0|0,0,2]=4 11574 B12R1.100 C#CCOc1cc(cc(c1)Cl)F 7a_100011219751_100000038162 [0,2,0,0,0,0|0,0,2]=4 11575 B12R1.100 C#CCOc1cc(cc(c1)Cl)N 34a_100000123917_100000184674 [0,2,0,0,0,0|0,0,2]=4 11576 B12R1.100 C#CCOc1cc(cc(c1)Cl)N 7a_100000123917_100000038162 [0,2,0,0,0,0|0,0,2]=4 11577 B12R1.100 C#CCOc1cc(cc(c1)F)C 34a_100011830401_100000184674 [0,2,0,0,0,0|0,0,2]=4 11578 B12R1.100 C#CCOc1cc(cc(c1)F)C 7a_100011830401_100000038162 [0,2,0,0,0,0|0,0,2]=4 11579 B12R1.100 C#CCOc1cc(cc(c1)F)F 34a_100000747503_100000184674 [0,2,0,0,0,0|0,0,2]=4 11580 B12R1.100 C#CCOc1cc(cc(c1)F)F 7a_100000747503_100000038162 [0,2,0,0,0,0|0,0,2]=4 11581 B12R1.100 C#CCOc1cc(cc(c1)I)Br 34a_100010068917_100000184674 [0,2,0,0,0,0|0,0,2]=4 11582 B12R1.100 C#CCOc1cc(cc(c1)I)Br 7a_100010068917_100000038162 [0,2,0,0,0,0|0,0,2]=4 11583 B12R1.100 C#CCOc1cc(cc(c1)I)Cl 34a_100010068924_100000184674 [0,2,0,0,0,0|0,0,2]=4 11584 B12R1.100 C#CCOc1cc(cc(c1)I)Cl 7a_100010068924_100000038162 [0,2,0,0,0,0|0,0,2]=4 11585 B12R1.100 C#CCOc1cc(cc(c1)I)F 34a_100000717995_100000184674 [0,2,0,0,0,0|0,0,2]=4 11586 B12R1.100 C#CCOc1cc(cc(c1)I)F 7a_100000717995_100000038162 [0,2,0,0,0,0|0,0,2]=4 11587 B12R1.100 C#CCOc1cc(cc(c1)N)C 34a_100011995906_100000184674 [0,2,0,0,0,0|0,0,2]=4 11588 B12R1.100 C#CCOc1cc(cc(c1)N)C 7a_100011995906_100000038162 [0,2,0,0,0,0|0,0,2]=4 11589 B12R1.100 C=CCNc1cc([nH]c(=O)c1)C 27a_100020586998_100009861981 [0,2,0,0,0,0|2,0,0]=4 11590 B12R1.100 C=CCNc1cc(cc(c1)Br)Br 27a_100020586998_100009814770 [0,2,0,0,0,0|1,0,0]=3 11591 B12R1.100 C=CCNc1cc(cc(c1)Br)Br 34a_100012047176_100015514636 [0,2,0,0,0,0|1,0,0]=3 11592 B12R1.100 C=CCNc1cc(cc(c1)Br)Br 7a_100012047176_100015514636 [0,2,0,0,0,0|1,0,0]=3 11593 B12R1.100 C=CCNc1cc(cc(c1)Br)C 34a_100000695972_100015514636 [0,2,0,0,0,0|1,0,0]=3 11594 B12R1.100 C=CCNc1cc(cc(c1)Br)C 7a_100000695972_100015514636 [0,2,0,0,0,0|1,0,0]=3 11595 B12R1.100 C=CCNc1cc(cc(c1)Br)Cl 34a_100011934539_100015514636 [0,2,0,0,0,0|1,0,0]=3 11596 B12R1.100 C=CCNc1cc(cc(c1)Br)Cl 7a_100011934539_100015514636 [0,2,0,0,0,0|1,0,0]=3 11597 B12R1.100 C=CCNc1cc(cc(c1)Br)F 34a_100000705686_100015514636 [0,2,0,0,0,0|1,0,0]=3 11598 B12R1.100 C=CCNc1cc(cc(c1)Br)F 7a_100000705686_100015514636 [0,2,0,0,0,0|1,0,0]=3 11599 B12R1.100 C=CCNc1cc(cc(c1)C)C 2230a_100000210930_100000210623 [0,2,0,0,0,0|1,0,0]=3 11600 B12R1.100 C=CCNc1cc(cc(c1)C)C 34a_100000210930_100015514636 [0,2,0,0,0,0|1,0,0]=3 11601 B12R1.100 C=CCNc1cc(cc(c1)C)C 7a_100000210930_100015514636 [0,2,0,0,0,0|1,0,0]=3 11602 B12R1.100 C=CCNc1cc(cc(c1)Cl)C 2230a_100012022512_100000210623 [0,2,0,0,0,0|1,0,0]=3 11603 B12R1.100 C=CCNc1cc(cc(c1)Cl)C 34a_100012022512_100015514636 [0,2,0,0,0,0|1,0,0]=3 11604 B12R1.100 C=CCNc1cc(cc(c1)Cl)C 7a_100012022512_100015514636 [0,2,0,0,0,0|1,0,0]=3 11605 B12R1.100 C=CCNc1cc(cc(c1)Cl)Cl 34a_100000210456_100015514636 [0,2,0,0,0,0|1,0,0]=3 11606 B12R1.100 C=CCNc1cc(cc(c1)Cl)Cl 7a_100000210456_100015514636 [0,2,0,0,0,0|1,0,0]=3 11607 B12R1.100 C=CCNc1cc(cc(c1)Cl)F 34a_100000686136_100015514636 [0,2,0,0,0,0|1,0,0]=3 11608 B12R1.100 C=CCNc1cc(cc(c1)Cl)F 7a_100000686136_100015514636 [0,2,0,0,0,0|1,0,0]=3 11609 B12R1.100 C=CCNc1cc(cc(c1)Cl)O 34a_100000123917_100015514636 [0,2,0,0,0,0|1,0,0]=3 11610 B12R1.100 C=CCNc1cc(cc(c1)Cl)O 7a_100000123917_100015514636 [0,2,0,0,0,0|1,0,0]=3 11611 B12R1.100 C=CCNc1cc(cc(c1)F)C 2230a_100000742734_100000210623 [0,2,0,0,0,0|1,0,0]=3 11612 B12R1.100 C=CCNc1cc(cc(c1)F)C 34a_100000742734_100015514636 [0,2,0,0,0,0|1,0,0]=3 11613 B12R1.100 C=CCNc1cc(cc(c1)F)C 7a_100000742734_100015514636 [0,2,0,0,0,0|1,0,0]=3 11614 B12R1.100 C=CCNc1cc(cc(c1)F)F 34a_100000233717_100015514636 [0,2,0,0,0,0|1,0,0]=3 11615 B12R1.100 C=CCNc1cc(cc(c1)F)F 7a_100000233717_100015514636 [0,2,0,0,0,0|1,0,0]=3 11616 B12R1.100 C=CCNc1cc(cc(c1)I)Br 7a_100009814763_100015514636 [0,2,0,0,0,0|1,0,0]=3 11617 B12R1.100 C=CCNc1cc(cc(c1)I)Cl 7a_100010147676_100015514636 [0,2,0,0,0,0|1,0,0]=3 11618 B12R1.100 C=CCNc1cc(cc(c1)I)F 34a_100011356972_100015514636 [0,2,0,0,0,0|1,0,0]=3 11619 B12R1.100 C=CCNc1cc(cc(c1)I)F 7a_100011356972_100015514636 [0,2,0,0,0,0|1,0,0]=3 11620 B12R1.100 C=CCNc1cc(cc(c1)I)I 7a_200000696836_100015514636 [0,2,0,0,0,0|1,0,0]=3 11621 B12R1.100 C=CCNc1cc(cc(c1)O)C 34a_100011995906_100015514636 [0,2,0,0,0,0|1,0,0]=3 11622 B12R1.100 C=CCNc1cc(cc(c1)O)C 7a_100011995906_100015514636 [0,2,0,0,0,0|1,0,0]=3 11623 B12R1.100 C=CCNc1cc(cc(c1)O)O 34a_100000043371_100015514636 [0,2,0,0,0,0|1,0,0]=3 11624 B12R1.100 C=CCNc1cc(cc(n1)C)C 27a_100020586998_100000069240 [0,2,0,0,0,0|2,0,0]=4 11625 B12R1.100 C=CCNc1cc(cc(n1)F)C 27a_100020586998_100009819601 [0,2,0,0,0,0|2,0,0]=4 11626 B12R1.100 C=CCNc1cc(nc(c1)C)C 27a_100020586998_100000066820 [0,2,0,0,0,0|2,0,0]=4 11627 B12R1.100 C=CCNc1cc(nc(c1)Cl)C 27a_100020586998_100010068023 [0,2,0,0,0,0|2,0,0]=4 11628 B12R1.100 C=CCNc1cc(nc(c1)Cl)F 27a_100020586998_100011069727 [0,2,0,0,0,0|2,0,0]=4 11629 B12R1.100 C=CCNc1cc(nc(c1)F)C 27a_100020586998_100010006595 [0,2,0,0,0,0|2,0,0]=4 11630 B12R1.100 C=CCNc1cc(nc(c1)F)F 27a_100020586998_100000049587 [0,2,0,0,0,0|2,0,0]=4 11631 B12R1.100 C=CCOc1cc(=O)cc(o1)C 34a_100016989201_100015514636 [0,2,0,0,0,0|1,0,0]=3 11632 B12R1.100 C=CCOc1cc([nH]c(=O)c1)C 34a_100000039070_100015514636 [0,2,0,0,0,0|1,0,0]=3 11633 B12R1.100 C=CCOc1cc(cc(c1)Br)Br 34a_100010167048_100015514636 [0,2,0,0,0,0|0,0,0]=2 11634 B12R1.100 C=CCOc1cc(cc(c1)Br)Br 7a_100010167048_100015514636 [0,2,0,0,0,0|0,0,0]=2 11635 B12R1.100 C=CCOc1cc(cc(c1)Br)C 34a_100011999630_100015514636 [0,2,0,0,0,0|0,0,0]=2 11636 B12R1.100 C=CCOc1cc(cc(c1)Br)C 7a_100011999630_100015514636 [0,2,0,0,0,0|0,0,0]=2 11637 B12R1.100 C=CCOc1cc(cc(c1)Br)Cl 34a_100010185897_100015514636 [0,2,0,0,0,0|0,0,0]=2 11638 B12R1.100 C=CCOc1cc(cc(c1)Br)Cl 7a_100010185897_100015514636 [0,2,0,0,0,0|0,0,0]=2 11639 B12R1.100 C=CCOc1cc(cc(c1)Br)F 34a_100000688818_100015514636 [0,2,0,0,0,0|0,0,0]=2 11640 B12R1.100 C=CCOc1cc(cc(c1)Br)F 7a_100000688818_100015514636 [0,2,0,0,0,0|0,0,0]=2 11641 B12R1.100 C=CCOc1cc(cc(c1)C)C 34a_100000210933_100015514636 [0,2,0,0,0,0|0,0,0]=2 11642 B12R1.100 C=CCOc1cc(cc(c1)C)C 7a_100000210933_100015514636 [0,2,0,0,0,0|0,0,0]=2 11643 B12R1.100 C=CCOc1cc(cc(c1)Cl)C 34a_100000087485_100015514636 [0,2,0,0,0,0|0,0,0]=2 11644 B12R1.100 C=CCOc1cc(cc(c1)Cl)C 7a_100000087485_100015514636 [0,2,0,0,0,0|0,0,0]=2 11645 B12R1.100 C=CCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100015514636 [0,2,0,0,0,0|0,0,0]=2 11646 B12R1.100 C=CCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100015514636 [0,2,0,0,0,0|0,0,0]=2 11647 B12R1.100 C=CCOc1cc(cc(c1)Cl)F 34a_100011219751_100015514636 [0,2,0,0,0,0|0,0,0]=2 11648 B12R1.100 C=CCOc1cc(cc(c1)Cl)F 7a_100011219751_100015514636 [0,2,0,0,0,0|0,0,0]=2 11649 B12R1.100 C=CCOc1cc(cc(c1)Cl)N 34a_100000123917_100015514636 [0,2,0,0,0,0|0,0,0]=2 11650 B12R1.100 C=CCOc1cc(cc(c1)Cl)N 7a_100000123917_100015514636 [0,2,0,0,0,0|0,0,0]=2 11651 B12R1.100 C=CCOc1cc(cc(c1)F)C 34a_100011830401_100015514636 [0,2,0,0,0,0|0,0,0]=2 11652 B12R1.100 C=CCOc1cc(cc(c1)F)C 7a_100011830401_100015514636 [0,2,0,0,0,0|0,0,0]=2 11653 B12R1.100 C=CCOc1cc(cc(c1)F)F 34a_100000747503_100015514636 [0,2,0,0,0,0|0,0,0]=2 11654 B12R1.100 C=CCOc1cc(cc(c1)F)F 7a_100000747503_100015514636 [0,2,0,0,0,0|0,0,0]=2 11655 B12R1.100 C=CCOc1cc(cc(c1)I)Br 34a_100010068917_100015514636 [0,2,0,0,0,0|0,0,0]=2 11656 B12R1.100 C=CCOc1cc(cc(c1)I)Br 7a_100010068917_100015514636 [0,2,0,0,0,0|0,0,0]=2 11657 B12R1.100 C=CCOc1cc(cc(c1)I)Cl 34a_100010068924_100015514636 [0,2,0,0,0,0|0,0,0]=2 11658 B12R1.100 C=CCOc1cc(cc(c1)I)Cl 7a_100010068924_100015514636 [0,2,0,0,0,0|0,0,0]=2 11659 B12R1.100 C=CCOc1cc(cc(c1)I)F 34a_100000717995_100015514636 [0,2,0,0,0,0|0,0,0]=2 11660 B12R1.100 C=CCOc1cc(cc(c1)I)F 7a_100000717995_100015514636 [0,2,0,0,0,0|0,0,0]=2 11661 B12R1.100 C=CCOc1cc(cc(c1)N)C 34a_100011995906_100015514636 [0,2,0,0,0,0|0,0,0]=2 11662 B12R1.100 C=CCOc1cc(cc(c1)N)C 7a_100011995906_100015514636 [0,2,0,0,0,0|0,0,0]=2 11663 B12R1.100 C=CCOc1cc(nc(c1)Br)Br 34a_100010172823_100015514636 [0,2,0,0,0,0|1,0,0]=3 11664 B12R1.100 C=CCOc1cc(nc(c1)Br)Br 7a_100010172823_100015514636 [0,2,0,0,0,0|1,0,0]=3 11665 B12R1.100 C=CCOc1cc(nc(n1)O)C 271570a_203496583355_200011684435 [0,2,0,0,0,0|2,0,0]=4 11666 B12R1.100 C=CCOc1cc(oc(=O)c1)C 34a_100000210952_100015514636 [0,2,0,0,0,0|1,0,0]=3 11667 B12R1.100 C=CCOc1cc(oc(=O)c1)C 7a_100000210952_100015514636 [0,2,0,0,0,0|1,0,0]=3 11668 B12R1.100 C=CCSc1cc([nH]c(=O)c1)C 62a_100000210623_100009861981 [0,2,0,0,0,0|1,1,0]=4 11669 B12R1.100 C=CCSc1cc([nH]c(=O)c1)C 62a_100009861981_100000210623 [0,2,0,0,0,0|1,1,0]=4 11670 B12R1.100 C=CCSc1cc(cc(c1)Br)Br 62a_100000210623_100009814770 [0,2,0,0,0,0|0,1,0]=3 11671 B12R1.100 C=CCSc1cc(cc(c1)Br)Br 62a_100009814770_100000210623 [0,2,0,0,0,0|0,1,0]=3 11672 B12R1.100 C=CCSc1cc(cc(c1)Br)Cl 62a_100000210623_100009814755 [0,2,0,0,0,0|0,1,0]=3 11673 B12R1.100 C=CCSc1cc(cc(c1)Br)Cl 62a_100009814755_100000210623 [0,2,0,0,0,0|0,1,0]=3 11674 B12R1.100 C=CCSc1cc(cc(c1)Br)F 62a_100000210623_100009814764 [0,2,0,0,0,0|0,1,0]=3 11675 B12R1.100 C=CCSc1cc(cc(c1)Br)F 62a_100009814764_100000210623 [0,2,0,0,0,0|0,1,0]=3 11676 B12R1.100 C=CCSc1cc(cc(c1)Br)N 62a_100000210623_100009814763 [0,2,0,0,0,0|0,1,0]=3 11677 B12R1.100 C=CCSc1cc(cc(c1)Br)N 62a_100009814763_100000210623 [0,2,0,0,0,0|0,1,0]=3 11678 B12R1.100 C=CCSc1cc(cc(c1)Br)O 62a_100000210623_100010068917 [0,2,0,0,0,0|0,1,0]=3 11679 B12R1.100 C=CCSc1cc(cc(c1)Br)O 62a_100010068917_100000210623 [0,2,0,0,0,0|0,1,0]=3 11680 B12R1.100 C=CCSc1cc(cc(c1)C)C 62a_100000210623_100011215608 [0,2,0,0,0,0|0,1,0]=3 11681 B12R1.100 C=CCSc1cc(cc(c1)C)C 62a_100011215608_100000210623 [0,2,0,0,0,0|0,1,0]=3 11682 B12R1.100 C=CCSc1cc(cc(c1)Cl)C 62a_100000210623_100010172791 [0,2,0,0,0,0|0,1,0]=3 11683 B12R1.100 C=CCSc1cc(cc(c1)Cl)C 62a_100010172791_100000210623 [0,2,0,0,0,0|0,1,0]=3 11684 B12R1.100 C=CCSc1cc(cc(c1)Cl)Cl 62a_100000210623_100000747138 [0,2,0,0,0,0|0,1,0]=3 11685 B12R1.100 C=CCSc1cc(cc(c1)Cl)Cl 62a_100000747138_100000210623 [0,2,0,0,0,0|0,1,0]=3 11686 B12R1.100 C=CCSc1cc(cc(c1)Cl)F 62a_100000210623_100013859453 [0,2,0,0,0,0|0,1,0]=3 11687 B12R1.100 C=CCSc1cc(cc(c1)Cl)F 62a_100013859453_100000210623 [0,2,0,0,0,0|0,1,0]=3 11688 B12R1.100 C=CCSc1cc(cc(c1)Cl)N 62a_100000210623_100010147676 [0,2,0,0,0,0|0,1,0]=3 11689 B12R1.100 C=CCSc1cc(cc(c1)Cl)N 62a_100010147676_100000210623 [0,2,0,0,0,0|0,1,0]=3 11690 B12R1.100 C=CCSc1cc(cc(c1)Cl)O 62a_100000210623_100010068924 [0,2,0,0,0,0|0,1,0]=3 11691 B12R1.100 C=CCSc1cc(cc(c1)Cl)O 62a_100010068924_100000210623 [0,2,0,0,0,0|0,1,0]=3 11692 B12R1.100 C=CCSc1cc(cc(c1)F)C 62a_100000210623_100011356977 [0,2,0,0,0,0|0,1,0]=3 11693 B12R1.100 C=CCSc1cc(cc(c1)F)C 62a_100011356977_100000210623 [0,2,0,0,0,0|0,1,0]=3 11694 B12R1.100 C=CCSc1cc(cc(c1)F)F 62a_100000210623_100000233788 [0,2,0,0,0,0|0,1,0]=3 11695 B12R1.100 C=CCSc1cc(cc(c1)F)F 62a_100000233788_100000210623 [0,2,0,0,0,0|0,1,0]=3 11696 B12R1.100 C=CCSc1cc(cc(c1)F)N 62a_100000210623_100011356972 [0,2,0,0,0,0|0,1,0]=3 11697 B12R1.100 C=CCSc1cc(cc(c1)F)N 62a_100011356972_100000210623 [0,2,0,0,0,0|0,1,0]=3 11698 B12R1.100 C=CCSc1cc(cc(c1)F)O 62a_100000210623_100000688818 [0,2,0,0,0,0|0,1,0]=3 11699 B12R1.100 C=CCSc1cc(cc(c1)F)O 62a_100000688818_100000210623 [0,2,0,0,0,0|0,1,0]=3 11700 B12R1.100 C=CCSc1cc(cc(c1)N)C 62a_100000210623_100000695972 [0,2,0,0,0,0|0,1,0]=3 11701 B12R1.100 C=CCSc1cc(cc(c1)N)C 62a_100000695972_100000210623 [0,2,0,0,0,0|0,1,0]=3 11702 B12R1.100 C=CCSc1cc(cc(c1)N)N 62a_100000210623_100011999608 [0,2,0,0,0,0|0,1,0]=3 11703 B12R1.100 C=CCSc1cc(cc(c1)N)N 62a_100011999608_100000210623 [0,2,0,0,0,0|0,1,0]=3 11704 B12R1.100 C=CCSc1cc(cc(c1)O)C 62a_100000210623_100011999630 [0,2,0,0,0,0|0,1,0]=3 11705 B12R1.100 C=CCSc1cc(cc(c1)O)O 62a_100000210623_100009868816 [0,2,0,0,0,0|0,1,0]=3 11706 B12R1.100 C=CCSc1cc(cc(n1)C)C 62a_100000069240_100000210623 [0,2,0,0,0,0|1,1,0]=4 11707 B12R1.100 C=CCSc1cc(cc(n1)C)C 62a_100000210623_100000069240 [0,2,0,0,0,0|1,1,0]=4 11708 B12R1.100 C=CCSc1cc(cc(n1)C)N 62a_100000071261_100000210623 [0,2,0,0,0,0|1,1,0]=4 11709 B12R1.100 C=CCSc1cc(cc(n1)C)N 62a_100000210623_100000071261 [0,2,0,0,0,0|1,1,0]=4 11710 B12R1.100 C=CCSc1cc(cc(n1)F)C 62a_100000210623_100009819601 [0,2,0,0,0,0|1,1,0]=4 11711 B12R1.100 C=CCSc1cc(cc(n1)F)C 62a_100009819601_100000210623 [0,2,0,0,0,0|1,1,0]=4 11712 B12R1.100 C=CCSc1cc(cc(n1)N)C 62a_100000210623_100009819863 [0,2,0,0,0,0|1,1,0]=4 11713 B12R1.100 C=CCSc1cc(cc(n1)N)C 62a_100009819863_100000210623 [0,2,0,0,0,0|1,1,0]=4 11714 B12R1.100 C=CCSc1cc(cc(n1)O)N 62a_100000210623_200012179554 [0,2,0,0,0,0|1,1,0]=4 11715 B12R1.100 C=CCSc1cc(nc(c1)C)C 62a_100000066820_100000210623 [0,2,0,0,0,0|1,1,0]=4 11716 B12R1.100 C=CCSc1cc(nc(c1)C)C 62a_100000210623_100000066820 [0,2,0,0,0,0|1,1,0]=4 11717 B12R1.100 C=CCSc1cc(nc(c1)Cl)C 62a_100000210623_100010068023 [0,2,0,0,0,0|1,1,0]=4 11718 B12R1.100 C=CCSc1cc(nc(c1)Cl)C 62a_100010068023_100000210623 [0,2,0,0,0,0|1,1,0]=4 11719 B12R1.100 C=CCSc1cc(nc(c1)Cl)Cl 62a_100000062418_100000210623 [0,2,0,0,0,0|1,1,0]=4 11720 B12R1.100 C=CCSc1cc(nc(c1)Cl)Cl 62a_100000210623_100000062418 [0,2,0,0,0,0|1,1,0]=4 11721 B12R1.100 C=CCSc1cc(nc(c1)Cl)F 62a_100000210623_100011069727 [0,2,0,0,0,0|1,1,0]=4 11722 B12R1.100 C=CCSc1cc(nc(c1)Cl)F 62a_100011069727_100000210623 [0,2,0,0,0,0|1,1,0]=4 11723 B12R1.100 C=CCSc1cc(nc(c1)Cl)N 62a_100000210623_200011084131 [0,2,0,0,0,0|1,1,0]=4 11724 B12R1.100 C=CCSc1cc(nc(c1)Cl)N 62a_200011084131_100000210623 [0,2,0,0,0,0|1,1,0]=4 11725 B12R1.100 C=CCSc1cc(nc(c1)F)C 62a_100000210623_100010006595 [0,2,0,0,0,0|1,1,0]=4 11726 B12R1.100 C=CCSc1cc(nc(c1)F)C 62a_100010006595_100000210623 [0,2,0,0,0,0|1,1,0]=4 11727 B12R1.100 C=CCSc1cc(nc(c1)F)F 62a_100000049587_100000210623 [0,2,0,0,0,0|1,1,0]=4 11728 B12R1.100 C=CCSc1cc(nc(c1)F)F 62a_100000210623_100000049587 [0,2,0,0,0,0|1,1,0]=4 11729 B12R1.100 C=CCSc1cc(nc(c1)N)C 62a_100000076705_100000210623 [0,2,0,0,0,0|1,1,0]=4 11730 B12R1.100 C=CCSc1cc(nc(c1)N)C 62a_100000210623_100000076705 [0,2,0,0,0,0|1,1,0]=4 11731 B12R1.100 C=CCSc1cc(nc(c1)N)N 62a_100009816676_100000210623 [0,2,0,0,0,0|1,1,0]=4 11732 B12R1.100 CCCOc1cc(cc(c1)Br)Br 34a_100010167048_100000210303 [0,2,0,0,0,0|0,0,2]=4 11733 B12R1.100 CCCOc1cc(cc(c1)Br)Br 7a_100010167048_100000210303 [0,2,0,0,0,0|0,0,2]=4 11734 B12R1.100 CCCOc1cc(cc(c1)Br)C 34a_100011999630_100000210303 [0,2,0,0,0,0|0,0,2]=4 11735 B12R1.100 CCCOc1cc(cc(c1)Br)C 7a_100011999630_100000210303 [0,2,0,0,0,0|0,0,2]=4 11736 B12R1.100 CCCOc1cc(cc(c1)Br)Cl 34a_100010185897_100000210303 [0,2,0,0,0,0|0,0,2]=4 11737 B12R1.100 CCCOc1cc(cc(c1)Br)Cl 7a_100010185897_100000210303 [0,2,0,0,0,0|0,0,2]=4 11738 B12R1.100 CCCOc1cc(cc(c1)Br)F 34a_100000688818_100000210303 [0,2,0,0,0,0|0,0,2]=4 11739 B12R1.100 CCCOc1cc(cc(c1)Br)F 7a_100000688818_100000210303 [0,2,0,0,0,0|0,0,2]=4 11740 B12R1.100 CCCOc1cc(cc(c1)C)C 34a_100000210933_100000210303 [0,2,0,0,0,0|0,0,2]=4 11741 B12R1.100 CCCOc1cc(cc(c1)C)C 7a_100000210933_100000210303 [0,2,0,0,0,0|0,0,2]=4 11742 B12R1.100 CCCOc1cc(cc(c1)Cl)C 34a_100000087485_100000210303 [0,2,0,0,0,0|0,0,2]=4 11743 B12R1.100 CCCOc1cc(cc(c1)Cl)C 7a_100000087485_100000210303 [0,2,0,0,0,0|0,0,2]=4 11744 B12R1.100 CCCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100000210303 [0,2,0,0,0,0|0,0,2]=4 11745 B12R1.100 CCCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100000210303 [0,2,0,0,0,0|0,0,2]=4 11746 B12R1.100 CCCOc1cc(cc(c1)Cl)F 34a_100011219751_100000210303 [0,2,0,0,0,0|0,0,2]=4 11747 B12R1.100 CCCOc1cc(cc(c1)Cl)F 7a_100011219751_100000210303 [0,2,0,0,0,0|0,0,2]=4 11748 B12R1.100 CCCOc1cc(cc(c1)Cl)N 34a_100000123917_100000210303 [0,2,0,0,0,0|0,0,2]=4 11749 B12R1.100 CCCOc1cc(cc(c1)Cl)N 7a_100000123917_100000210303 [0,2,0,0,0,0|0,0,2]=4 11750 B12R1.100 CCCOc1cc(cc(c1)F)C 34a_100011830401_100000210303 [0,2,0,0,0,0|0,0,2]=4 11751 B12R1.100 CCCOc1cc(cc(c1)F)C 7a_100011830401_100000210303 [0,2,0,0,0,0|0,0,2]=4 11752 B12R1.100 CCCOc1cc(cc(c1)F)F 34a_100000747503_100000210303 [0,2,0,0,0,0|0,0,2]=4 11753 B12R1.100 CCCOc1cc(cc(c1)F)F 7a_100000747503_100000210303 [0,2,0,0,0,0|0,0,2]=4 11754 B12R1.100 CCCOc1cc(cc(c1)I)Br 34a_100010068917_100000210303 [0,2,0,0,0,0|0,0,2]=4 11755 B12R1.100 CCCOc1cc(cc(c1)I)Br 7a_100010068917_100000210303 [0,2,0,0,0,0|0,0,2]=4 11756 B12R1.100 CCCOc1cc(cc(c1)I)Cl 34a_100010068924_100000210303 [0,2,0,0,0,0|0,0,2]=4 11757 B12R1.100 CCCOc1cc(cc(c1)I)Cl 7a_100010068924_100000210303 [0,2,0,0,0,0|0,0,2]=4 11758 B12R1.100 CCCOc1cc(cc(c1)I)F 34a_100000717995_100000210303 [0,2,0,0,0,0|0,0,2]=4 11759 B12R1.100 CCCOc1cc(cc(c1)I)F 7a_100000717995_100000210303 [0,2,0,0,0,0|0,0,2]=4 11760 B12R1.100 CCCOc1cc(cc(c1)N)C 34a_100011995906_100000210303 [0,2,0,0,0,0|0,0,2]=4 11761 B12R1.100 CCCOc1cc(cc(c1)N)C 7a_100011995906_100000210303 [0,2,0,0,0,0|0,0,2]=4 11762 B12R1.100 CSCOc1cc(cc(c1)Br)Br 34a_100010167048_100011218213 [0,2,0,0,0,0|1,0,1]=4 11763 B12R1.100 CSCOc1cc(cc(c1)Br)C 34a_100011999630_100011218213 [0,2,0,0,0,0|1,0,1]=4 11764 B12R1.100 CSCOc1cc(cc(c1)Br)Cl 34a_100010185897_100011218213 [0,2,0,0,0,0|1,0,1]=4 11765 B12R1.100 CSCOc1cc(cc(c1)Br)F 34a_100000688818_100011218213 [0,2,0,0,0,0|1,0,1]=4 11766 B12R1.100 CSCOc1cc(cc(c1)C)C 34a_100000210933_100011218213 [0,2,0,0,0,0|1,0,1]=4 11767 B12R1.100 CSCOc1cc(cc(c1)Cl)C 34a_100000087485_100011218213 [0,2,0,0,0,0|1,0,1]=4 11768 B12R1.100 CSCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100011218213 [0,2,0,0,0,0|1,0,1]=4 11769 B12R1.100 CSCOc1cc(cc(c1)Cl)F 34a_100011219751_100011218213 [0,2,0,0,0,0|1,0,1]=4 11770 B12R1.100 CSCOc1cc(cc(c1)Cl)N 34a_100000123917_100011218213 [0,2,0,0,0,0|1,0,1]=4 11771 B12R1.100 CSCOc1cc(cc(c1)F)C 34a_100011830401_100011218213 [0,2,0,0,0,0|1,0,1]=4 11772 B12R1.100 CSCOc1cc(cc(c1)F)F 34a_100000747503_100011218213 [0,2,0,0,0,0|1,0,1]=4 11773 B12R1.100 CSCOc1cc(cc(c1)I)Br 34a_100010068917_100011218213 [0,2,0,0,0,0|1,0,1]=4 11774 B12R1.100 CSCOc1cc(cc(c1)I)Cl 34a_100010068924_100011218213 [0,2,0,0,0,0|1,0,1]=4 11775 B12R1.100 CSCOc1cc(cc(c1)I)F 34a_100000717995_100011218213 [0,2,0,0,0,0|1,0,1]=4 11776 B12R1.100 CSCOc1cc(cc(c1)N)C 34a_100011995906_100011218213 [0,2,0,0,0,0|1,0,1]=4 11777 B12R1.100 Cc1cc(=O)cc(o1)OCC=O 34a_100016989201_200009817547 [0,2,0,0,0,0|2,0,0]=4 11778 B12R1.100 Cc1cc(cc(=O)[nH]1)OCC=O 34a_100000039070_200009817547 [0,2,0,0,0,0|2,0,0]=4 11779 B12R1.100 Cc1cc(cc(=O)o1)OCC=O 34a_100000210952_200009817547 [0,2,0,0,0,0|2,0,0]=4 11780 B12R1.100 Cc1cc(cc(=O)o1)OCC=O 7a_100000210952_200015260668 [0,2,0,0,0,0|2,0,0]=4 11781 B12R1.100 Cc1cc(cc(c1)NCC=O)Br 34a_100000695972_200009817547 [0,2,0,0,0,0|2,0,0]=4 11782 B12R1.100 Cc1cc(cc(c1)NCC=O)Br 7a_100000695972_200015260668 [0,2,0,0,0,0|2,0,0]=4 11783 B12R1.100 Cc1cc(cc(c1)NCC=O)C 2230a_100000210930_200015260668 [0,2,0,0,0,0|2,0,0]=4 11784 B12R1.100 Cc1cc(cc(c1)NCC=O)C 34a_100000210930_200009817547 [0,2,0,0,0,0|2,0,0]=4 11785 B12R1.100 Cc1cc(cc(c1)NCC=O)C 7a_100000210930_200015260668 [0,2,0,0,0,0|2,0,0]=4 11786 B12R1.100 Cc1cc(cc(c1)NCC=O)Cl 2230a_100012022512_200015260668 [0,2,0,0,0,0|2,0,0]=4 11787 B12R1.100 Cc1cc(cc(c1)NCC=O)Cl 34a_100012022512_200009817547 [0,2,0,0,0,0|2,0,0]=4 11788 B12R1.100 Cc1cc(cc(c1)NCC=O)Cl 7a_100012022512_200015260668 [0,2,0,0,0,0|2,0,0]=4 11789 B12R1.100 Cc1cc(cc(c1)NCC=O)F 2230a_100000742734_200015260668 [0,2,0,0,0,0|2,0,0]=4 11790 B12R1.100 Cc1cc(cc(c1)NCC=O)F 34a_100000742734_200009817547 [0,2,0,0,0,0|2,0,0]=4 11791 B12R1.100 Cc1cc(cc(c1)NCC=O)F 7a_100000742734_200015260668 [0,2,0,0,0,0|2,0,0]=4 11792 B12R1.100 Cc1cc(cc(c1)NCC=O)O 34a_100011995906_200009817547 [0,2,0,0,0,0|2,0,0]=4 11793 B12R1.100 Cc1cc(cc(c1)NCC=O)O 7a_100011995906_200015260668 [0,2,0,0,0,0|2,0,0]=4 11794 B12R1.100 Cc1cc(cc(c1)OCC#N)Br 7a_100011999630_100011215382 [0,2,0,0,0,0|1,0,1]=4 11795 B12R1.100 Cc1cc(cc(c1)OCC#N)C 7a_100000210933_100011215382 [0,2,0,0,0,0|1,0,1]=4 11796 B12R1.100 Cc1cc(cc(c1)OCC#N)Cl 7a_100000087485_100011215382 [0,2,0,0,0,0|1,0,1]=4 11797 B12R1.100 Cc1cc(cc(c1)OCC#N)F 7a_100011830401_100011215382 [0,2,0,0,0,0|1,0,1]=4 11798 B12R1.100 Cc1cc(cc(c1)OCC#N)N 7a_100011995906_100011215382 [0,2,0,0,0,0|1,0,1]=4 11799 B12R1.100 Cc1cc(cc(c1)OCC=O)Br 34a_100011999630_200009817547 [0,2,0,0,0,0|1,0,0]=3 11800 B12R1.100 Cc1cc(cc(c1)OCC=O)Br 7a_100011999630_200015260668 [0,2,0,0,0,0|1,0,0]=3 11801 B12R1.100 Cc1cc(cc(c1)OCC=O)C 34a_100000210933_200009817547 [0,2,0,0,0,0|1,0,0]=3 11802 B12R1.100 Cc1cc(cc(c1)OCC=O)C 7a_100000210933_200015260668 [0,2,0,0,0,0|1,0,0]=3 11803 B12R1.100 Cc1cc(cc(c1)OCC=O)Cl 34a_100000087485_200009817547 [0,2,0,0,0,0|1,0,0]=3 11804 B12R1.100 Cc1cc(cc(c1)OCC=O)Cl 7a_100000087485_200015260668 [0,2,0,0,0,0|1,0,0]=3 11805 B12R1.100 Cc1cc(cc(c1)OCC=O)F 34a_100011830401_200009817547 [0,2,0,0,0,0|1,0,0]=3 11806 B12R1.100 Cc1cc(cc(c1)OCC=O)F 7a_100011830401_200015260668 [0,2,0,0,0,0|1,0,0]=3 11807 B12R1.100 Cc1cc(cc(c1)OCC=O)N 34a_100011995906_200009817547 [0,2,0,0,0,0|1,0,0]=3 11808 B12R1.100 Cc1cc(cc(c1)OCC=O)N 7a_100011995906_200015260668 [0,2,0,0,0,0|1,0,0]=3 11809 B12R1.100 Cc1cc(cc(c1)OCCF)Br 34a_100011999630_100011217306 [0,2,0,0,0,0|1,0,1]=4 11810 B12R1.100 Cc1cc(cc(c1)OCCF)Br 7a_100011999630_100011217306 [0,2,0,0,0,0|1,0,1]=4 11811 B12R1.100 Cc1cc(cc(c1)OCCF)C 34a_100000210933_100011217306 [0,2,0,0,0,0|1,0,1]=4 11812 B12R1.100 Cc1cc(cc(c1)OCCF)C 7a_100000210933_100011217306 [0,2,0,0,0,0|1,0,1]=4 11813 B12R1.100 Cc1cc(cc(c1)OCCF)Cl 34a_100000087485_100011217306 [0,2,0,0,0,0|1,0,1]=4 11814 B12R1.100 Cc1cc(cc(c1)OCCF)Cl 7a_100000087485_100011217306 [0,2,0,0,0,0|1,0,1]=4 11815 B12R1.100 Cc1cc(cc(c1)OCCF)F 34a_100011830401_100011217306 [0,2,0,0,0,0|1,0,1]=4 11816 B12R1.100 Cc1cc(cc(c1)OCCF)F 7a_100011830401_100011217306 [0,2,0,0,0,0|1,0,1]=4 11817 B12R1.100 Cc1cc(cc(c1)OCCF)N 34a_100011995906_100011217306 [0,2,0,0,0,0|1,0,1]=4 11818 B12R1.100 Cc1cc(cc(c1)OCCF)N 7a_100011995906_100011217306 [0,2,0,0,0,0|1,0,1]=4 11819 B12R1.100 Cc1cc(cc(c1)OCCO)Br 34a_100011999630_100000211926 [0,2,0,0,0,0|1,0,1]=4 11820 B12R1.100 Cc1cc(cc(c1)OCCO)Br 7a_100011999630_100000211926 [0,2,0,0,0,0|1,0,1]=4 11821 B12R1.100 Cc1cc(cc(c1)OCCO)C 34a_100000210933_100000211926 [0,2,0,0,0,0|1,0,1]=4 11822 B12R1.100 Cc1cc(cc(c1)OCCO)C 7a_100000210933_100000211926 [0,2,0,0,0,0|1,0,1]=4 11823 B12R1.100 Cc1cc(cc(c1)OCCO)Cl 34a_100000087485_100000211926 [0,2,0,0,0,0|1,0,1]=4 11824 B12R1.100 Cc1cc(cc(c1)OCCO)Cl 7a_100000087485_100000211926 [0,2,0,0,0,0|1,0,1]=4 11825 B12R1.100 Cc1cc(cc(c1)OCCO)F 34a_100011830401_100000211926 [0,2,0,0,0,0|1,0,1]=4 11826 B12R1.100 Cc1cc(cc(c1)OCCO)F 7a_100011830401_100000211926 [0,2,0,0,0,0|1,0,1]=4 11827 B12R1.100 Cc1cc(cc(c1)OCCO)N 34a_100011995906_100000211926 [0,2,0,0,0,0|1,0,1]=4 11828 B12R1.100 Cc1cc(cc(c1)OCCO)N 7a_100011995906_100000211926 [0,2,0,0,0,0|1,0,1]=4 11829 B12R1.100 Cc1cc(cc(c1)SCC=O)C 62a_100011215608_200015260668 [0,2,0,0,0,0|1,1,0]=4 11830 B12R1.100 Cc1cc(cc(c1)SCC=O)C 62a_200015260668_100011215608 [0,2,0,0,0,0|1,1,0]=4 11831 B12R1.100 Cc1cc(cc(c1)SCC=O)Cl 62a_100010172791_200015260668 [0,2,0,0,0,0|1,1,0]=4 11832 B12R1.100 Cc1cc(cc(c1)SCC=O)Cl 62a_200015260668_100010172791 [0,2,0,0,0,0|1,1,0]=4 11833 B12R1.100 Cc1cc(cc(c1)SCC=O)F 62a_100011356977_200015260668 [0,2,0,0,0,0|1,1,0]=4 11834 B12R1.100 Cc1cc(cc(c1)SCC=O)F 62a_200015260668_100011356977 [0,2,0,0,0,0|1,1,0]=4 11835 B12R1.100 Cc1cc(cc(c1)SCC=O)N 62a_100000695972_200015260668 [0,2,0,0,0,0|1,1,0]=4 11836 B12R1.100 Cc1cc(cc(c1)SCC=O)N 62a_200015260668_100000695972 [0,2,0,0,0,0|1,1,0]=4 11837 B12R1.100 Cc1cc(cc(c1)SCC=O)O 62a_200015260668_100011999630 [0,2,0,0,0,0|1,1,0]=4 11838 B12R1.100 FCCOc1cc(cc(c1)Br)Br 34a_100010167048_100011217306 [0,2,0,0,0,0|1,0,1]=4 11839 B12R1.100 FCCOc1cc(cc(c1)Br)Br 7a_100010167048_100011217306 [0,2,0,0,0,0|1,0,1]=4 11840 B12R1.100 FCCOc1cc(cc(c1)Br)Cl 34a_100010185897_100011217306 [0,2,0,0,0,0|1,0,1]=4 11841 B12R1.100 FCCOc1cc(cc(c1)Br)Cl 7a_100010185897_100011217306 [0,2,0,0,0,0|1,0,1]=4 11842 B12R1.100 FCCOc1cc(cc(c1)Br)F 34a_100000688818_100011217306 [0,2,0,0,0,0|1,0,1]=4 11843 B12R1.100 FCCOc1cc(cc(c1)Br)F 7a_100000688818_100011217306 [0,2,0,0,0,0|1,0,1]=4 11844 B12R1.100 FCCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100011217306 [0,2,0,0,0,0|1,0,1]=4 11845 B12R1.100 FCCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100011217306 [0,2,0,0,0,0|1,0,1]=4 11846 B12R1.100 FCCOc1cc(cc(c1)Cl)F 34a_100011219751_100011217306 [0,2,0,0,0,0|1,0,1]=4 11847 B12R1.100 FCCOc1cc(cc(c1)Cl)F 7a_100011219751_100011217306 [0,2,0,0,0,0|1,0,1]=4 11848 B12R1.100 FCCOc1cc(cc(c1)F)F 34a_100000747503_100011217306 [0,2,0,0,0,0|1,0,1]=4 11849 B12R1.100 FCCOc1cc(cc(c1)F)F 7a_100000747503_100011217306 [0,2,0,0,0,0|1,0,1]=4 11850 B12R1.100 FCCOc1cc(cc(c1)I)Br 34a_100010068917_100011217306 [0,2,0,0,0,0|1,0,1]=4 11851 B12R1.100 FCCOc1cc(cc(c1)I)Br 7a_100010068917_100011217306 [0,2,0,0,0,0|1,0,1]=4 11852 B12R1.100 FCCOc1cc(cc(c1)I)Cl 34a_100010068924_100011217306 [0,2,0,0,0,0|1,0,1]=4 11853 B12R1.100 FCCOc1cc(cc(c1)I)Cl 7a_100010068924_100011217306 [0,2,0,0,0,0|1,0,1]=4 11854 B12R1.100 FCCOc1cc(cc(c1)I)F 34a_100000717995_100011217306 [0,2,0,0,0,0|1,0,1]=4 11855 B12R1.100 FCCOc1cc(cc(c1)I)F 7a_100000717995_100011217306 [0,2,0,0,0,0|1,0,1]=4 11856 B12R1.100 N#CCOc1cc(cc(c1)Br)Br 7a_100010167048_100011215382 [0,2,0,0,0,0|1,0,1]=4 11857 B12R1.100 N#CCOc1cc(cc(c1)Br)Cl 7a_100010185897_100011215382 [0,2,0,0,0,0|1,0,1]=4 11858 B12R1.100 N#CCOc1cc(cc(c1)Br)F 7a_100000688818_100011215382 [0,2,0,0,0,0|1,0,1]=4 11859 B12R1.100 N#CCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100011215382 [0,2,0,0,0,0|1,0,1]=4 11860 B12R1.100 N#CCOc1cc(cc(c1)Cl)F 7a_100011219751_100011215382 [0,2,0,0,0,0|1,0,1]=4 11861 B12R1.100 N#CCOc1cc(cc(c1)Cl)N 7a_100000123917_100011215382 [0,2,0,0,0,0|1,0,1]=4 11862 B12R1.100 N#CCOc1cc(cc(c1)F)F 7a_100000747503_100011215382 [0,2,0,0,0,0|1,0,1]=4 11863 B12R1.100 N#CCOc1cc(cc(c1)I)Br 7a_100010068917_100011215382 [0,2,0,0,0,0|1,0,1]=4 11864 B12R1.100 N#CCOc1cc(cc(c1)I)Cl 7a_100010068924_100011215382 [0,2,0,0,0,0|1,0,1]=4 11865 B12R1.100 N#CCOc1cc(cc(c1)I)F 7a_100000717995_100011215382 [0,2,0,0,0,0|1,0,1]=4 11866 B12R1.100 Nc1cc(cc(c1)OCC=O)Cl 34a_100000123917_200009817547 [0,2,0,0,0,0|1,0,0]=3 11867 B12R1.100 Nc1cc(cc(c1)OCC=O)Cl 7a_100000123917_200015260668 [0,2,0,0,0,0|1,0,0]=3 11868 B12R1.100 Nc1cc(cc(c1)OCCF)Cl 34a_100000123917_100011217306 [0,2,0,0,0,0|1,0,1]=4 11869 B12R1.100 Nc1cc(cc(c1)OCCF)Cl 7a_100000123917_100011217306 [0,2,0,0,0,0|1,0,1]=4 11870 B12R1.100 Nc1cc(cc(c1)OCCO)Cl 34a_100000123917_100000211926 [0,2,0,0,0,0|1,0,1]=4 11871 B12R1.100 Nc1cc(cc(c1)OCCO)Cl 7a_100000123917_100000211926 [0,2,0,0,0,0|1,0,1]=4 11872 B12R1.100 Nc1cc(cc(c1)SCC=O)Br 62a_100009814763_200015260668 [0,2,0,0,0,0|1,1,0]=4 11873 B12R1.100 Nc1cc(cc(c1)SCC=O)Br 62a_200015260668_100009814763 [0,2,0,0,0,0|1,1,0]=4 11874 B12R1.100 Nc1cc(cc(c1)SCC=O)Cl 62a_100010147676_200015260668 [0,2,0,0,0,0|1,1,0]=4 11875 B12R1.100 Nc1cc(cc(c1)SCC=O)Cl 62a_200015260668_100010147676 [0,2,0,0,0,0|1,1,0]=4 11876 B12R1.100 Nc1cc(cc(c1)SCC=O)F 62a_100011356972_200015260668 [0,2,0,0,0,0|1,1,0]=4 11877 B12R1.100 Nc1cc(cc(c1)SCC=O)F 62a_200015260668_100011356972 [0,2,0,0,0,0|1,1,0]=4 11878 B12R1.100 Nc1cc(cc(c1)SCC=O)N 62a_100011999608_200015260668 [0,2,0,0,0,0|1,1,0]=4 11879 B12R1.100 Nc1cc(cc(c1)SCC=O)N 62a_200015260668_100011999608 [0,2,0,0,0,0|1,1,0]=4 11880 B12R1.100 O=CCNc1cc(cc(c1)Br)Br 34a_100012047176_200009817547 [0,2,0,0,0,0|2,0,0]=4 11881 B12R1.100 O=CCNc1cc(cc(c1)Br)Br 7a_100012047176_200015260668 [0,2,0,0,0,0|2,0,0]=4 11882 B12R1.100 O=CCNc1cc(cc(c1)Br)Cl 34a_100011934539_200009817547 [0,2,0,0,0,0|2,0,0]=4 11883 B12R1.100 O=CCNc1cc(cc(c1)Br)Cl 7a_100011934539_200015260668 [0,2,0,0,0,0|2,0,0]=4 11884 B12R1.100 O=CCNc1cc(cc(c1)Br)F 34a_100000705686_200009817547 [0,2,0,0,0,0|2,0,0]=4 11885 B12R1.100 O=CCNc1cc(cc(c1)Br)F 7a_100000705686_200015260668 [0,2,0,0,0,0|2,0,0]=4 11886 B12R1.100 O=CCNc1cc(cc(c1)Cl)Cl 34a_100000210456_200009817547 [0,2,0,0,0,0|2,0,0]=4 11887 B12R1.100 O=CCNc1cc(cc(c1)Cl)Cl 7a_100000210456_200015260668 [0,2,0,0,0,0|2,0,0]=4 11888 B12R1.100 O=CCNc1cc(cc(c1)Cl)F 34a_100000686136_200009817547 [0,2,0,0,0,0|2,0,0]=4 11889 B12R1.100 O=CCNc1cc(cc(c1)Cl)F 7a_100000686136_200015260668 [0,2,0,0,0,0|2,0,0]=4 11890 B12R1.100 O=CCNc1cc(cc(c1)Cl)O 34a_100000123917_200009817547 [0,2,0,0,0,0|2,0,0]=4 11891 B12R1.100 O=CCNc1cc(cc(c1)Cl)O 7a_100000123917_200015260668 [0,2,0,0,0,0|2,0,0]=4 11892 B12R1.100 O=CCNc1cc(cc(c1)F)F 34a_100000233717_200009817547 [0,2,0,0,0,0|2,0,0]=4 11893 B12R1.100 O=CCNc1cc(cc(c1)F)F 7a_100000233717_200015260668 [0,2,0,0,0,0|2,0,0]=4 11894 B12R1.100 O=CCNc1cc(cc(c1)I)Br 7a_100009814763_200015260668 [0,2,0,0,0,0|2,0,0]=4 11895 B12R1.100 O=CCNc1cc(cc(c1)I)Cl 7a_100010147676_200015260668 [0,2,0,0,0,0|2,0,0]=4 11896 B12R1.100 O=CCNc1cc(cc(c1)I)F 34a_100011356972_200009817547 [0,2,0,0,0,0|2,0,0]=4 11897 B12R1.100 O=CCNc1cc(cc(c1)I)F 7a_100011356972_200015260668 [0,2,0,0,0,0|2,0,0]=4 11898 B12R1.100 O=CCNc1cc(cc(c1)I)I 7a_200000696836_200015260668 [0,2,0,0,0,0|2,0,0]=4 11899 B12R1.100 O=CCNc1cc(cc(c1)O)O 34a_100000043371_200009817547 [0,2,0,0,0,0|2,0,0]=4 11900 B12R1.100 O=CCOc1cc(cc(c1)Br)Br 34a_100010167048_200009817547 [0,2,0,0,0,0|1,0,0]=3 11901 B12R1.100 O=CCOc1cc(cc(c1)Br)Br 7a_100010167048_200015260668 [0,2,0,0,0,0|1,0,0]=3 11902 B12R1.100 O=CCOc1cc(cc(c1)Br)Cl 34a_100010185897_200009817547 [0,2,0,0,0,0|1,0,0]=3 11903 B12R1.100 O=CCOc1cc(cc(c1)Br)Cl 7a_100010185897_200015260668 [0,2,0,0,0,0|1,0,0]=3 11904 B12R1.100 O=CCOc1cc(cc(c1)Br)F 34a_100000688818_200009817547 [0,2,0,0,0,0|1,0,0]=3 11905 B12R1.100 O=CCOc1cc(cc(c1)Br)F 7a_100000688818_200015260668 [0,2,0,0,0,0|1,0,0]=3 11906 B12R1.100 O=CCOc1cc(cc(c1)Cl)Cl 34a_100000181315_200009817547 [0,2,0,0,0,0|1,0,0]=3 11907 B12R1.100 O=CCOc1cc(cc(c1)Cl)Cl 7a_100000181315_200015260668 [0,2,0,0,0,0|1,0,0]=3 11908 B12R1.100 O=CCOc1cc(cc(c1)Cl)F 34a_100011219751_200009817547 [0,2,0,0,0,0|1,0,0]=3 11909 B12R1.100 O=CCOc1cc(cc(c1)Cl)F 7a_100011219751_200015260668 [0,2,0,0,0,0|1,0,0]=3 11910 B12R1.100 O=CCOc1cc(cc(c1)F)F 34a_100000747503_200009817547 [0,2,0,0,0,0|1,0,0]=3 11911 B12R1.100 O=CCOc1cc(cc(c1)F)F 7a_100000747503_200015260668 [0,2,0,0,0,0|1,0,0]=3 11912 B12R1.100 O=CCOc1cc(cc(c1)I)Br 34a_100010068917_200009817547 [0,2,0,0,0,0|1,0,0]=3 11913 B12R1.100 O=CCOc1cc(cc(c1)I)Br 7a_100010068917_200015260668 [0,2,0,0,0,0|1,0,0]=3 11914 B12R1.100 O=CCOc1cc(cc(c1)I)Cl 34a_100010068924_200009817547 [0,2,0,0,0,0|1,0,0]=3 11915 B12R1.100 O=CCOc1cc(cc(c1)I)Cl 7a_100010068924_200015260668 [0,2,0,0,0,0|1,0,0]=3 11916 B12R1.100 O=CCOc1cc(cc(c1)I)F 34a_100000717995_200009817547 [0,2,0,0,0,0|1,0,0]=3 11917 B12R1.100 O=CCOc1cc(cc(c1)I)F 7a_100000717995_200015260668 [0,2,0,0,0,0|1,0,0]=3 11918 B12R1.100 O=CCOc1cc(nc(c1)Br)Br 34a_100010172823_200009817547 [0,2,0,0,0,0|2,0,0]=4 11919 B12R1.100 O=CCOc1cc(nc(c1)Br)Br 7a_100010172823_200015260668 [0,2,0,0,0,0|2,0,0]=4 11920 B12R1.100 O=CCSc1cc(cc(c1)Br)Br 62a_100009814770_200015260668 [0,2,0,0,0,0|1,1,0]=4 11921 B12R1.100 O=CCSc1cc(cc(c1)Br)Br 62a_200015260668_100009814770 [0,2,0,0,0,0|1,1,0]=4 11922 B12R1.100 O=CCSc1cc(cc(c1)Br)Cl 62a_100009814755_200015260668 [0,2,0,0,0,0|1,1,0]=4 11923 B12R1.100 O=CCSc1cc(cc(c1)Br)Cl 62a_200015260668_100009814755 [0,2,0,0,0,0|1,1,0]=4 11924 B12R1.100 O=CCSc1cc(cc(c1)Br)F 62a_100009814764_200015260668 [0,2,0,0,0,0|1,1,0]=4 11925 B12R1.100 O=CCSc1cc(cc(c1)Br)F 62a_200015260668_100009814764 [0,2,0,0,0,0|1,1,0]=4 11926 B12R1.100 O=CCSc1cc(cc(c1)Br)O 62a_100010068917_200015260668 [0,2,0,0,0,0|1,1,0]=4 11927 B12R1.100 O=CCSc1cc(cc(c1)Br)O 62a_200015260668_100010068917 [0,2,0,0,0,0|1,1,0]=4 11928 B12R1.100 O=CCSc1cc(cc(c1)Cl)Cl 62a_100000747138_200015260668 [0,2,0,0,0,0|1,1,0]=4 11929 B12R1.100 O=CCSc1cc(cc(c1)Cl)Cl 62a_200015260668_100000747138 [0,2,0,0,0,0|1,1,0]=4 11930 B12R1.100 O=CCSc1cc(cc(c1)Cl)F 62a_100013859453_200015260668 [0,2,0,0,0,0|1,1,0]=4 11931 B12R1.100 O=CCSc1cc(cc(c1)Cl)F 62a_200015260668_100013859453 [0,2,0,0,0,0|1,1,0]=4 11932 B12R1.100 O=CCSc1cc(cc(c1)Cl)O 62a_100010068924_200015260668 [0,2,0,0,0,0|1,1,0]=4 11933 B12R1.100 O=CCSc1cc(cc(c1)Cl)O 62a_200015260668_100010068924 [0,2,0,0,0,0|1,1,0]=4 11934 B12R1.100 O=CCSc1cc(cc(c1)F)F 62a_100000233788_200015260668 [0,2,0,0,0,0|1,1,0]=4 11935 B12R1.100 O=CCSc1cc(cc(c1)F)F 62a_200015260668_100000233788 [0,2,0,0,0,0|1,1,0]=4 11936 B12R1.100 O=CCSc1cc(cc(c1)F)O 62a_100000688818_200015260668 [0,2,0,0,0,0|1,1,0]=4 11937 B12R1.100 O=CCSc1cc(cc(c1)F)O 62a_200015260668_100000688818 [0,2,0,0,0,0|1,1,0]=4 11938 B12R1.100 O=CCSc1cc(cc(c1)O)O 62a_200015260668_100009868816 [0,2,0,0,0,0|1,1,0]=4 11939 B12R1.100 OCCOc1cc(cc(c1)Br)Br 34a_100010167048_100000211926 [0,2,0,0,0,0|1,0,1]=4 11940 B12R1.100 OCCOc1cc(cc(c1)Br)Br 7a_100010167048_100000211926 [0,2,0,0,0,0|1,0,1]=4 11941 B12R1.100 OCCOc1cc(cc(c1)Br)Cl 34a_100010185897_100000211926 [0,2,0,0,0,0|1,0,1]=4 11942 B12R1.100 OCCOc1cc(cc(c1)Br)Cl 7a_100010185897_100000211926 [0,2,0,0,0,0|1,0,1]=4 11943 B12R1.100 OCCOc1cc(cc(c1)Br)F 34a_100000688818_100000211926 [0,2,0,0,0,0|1,0,1]=4 11944 B12R1.100 OCCOc1cc(cc(c1)Br)F 7a_100000688818_100000211926 [0,2,0,0,0,0|1,0,1]=4 11945 B12R1.100 OCCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100000211926 [0,2,0,0,0,0|1,0,1]=4 11946 B12R1.100 OCCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100000211926 [0,2,0,0,0,0|1,0,1]=4 11947 B12R1.100 OCCOc1cc(cc(c1)Cl)F 34a_100011219751_100000211926 [0,2,0,0,0,0|1,0,1]=4 11948 B12R1.100 OCCOc1cc(cc(c1)Cl)F 7a_100011219751_100000211926 [0,2,0,0,0,0|1,0,1]=4 11949 B12R1.100 OCCOc1cc(cc(c1)F)F 34a_100000747503_100000211926 [0,2,0,0,0,0|1,0,1]=4 11950 B12R1.100 OCCOc1cc(cc(c1)F)F 7a_100000747503_100000211926 [0,2,0,0,0,0|1,0,1]=4 11951 B12R1.100 OCCOc1cc(cc(c1)I)Br 34a_100010068917_100000211926 [0,2,0,0,0,0|1,0,1]=4 11952 B12R1.100 OCCOc1cc(cc(c1)I)Br 7a_100010068917_100000211926 [0,2,0,0,0,0|1,0,1]=4 11953 B12R1.100 OCCOc1cc(cc(c1)I)Cl 34a_100010068924_100000211926 [0,2,0,0,0,0|1,0,1]=4 11954 B12R1.100 OCCOc1cc(cc(c1)I)Cl 7a_100010068924_100000211926 [0,2,0,0,0,0|1,0,1]=4 11955 B12R1.100 OCCOc1cc(cc(c1)I)F 34a_100000717995_100000211926 [0,2,0,0,0,0|1,0,1]=4 11956 B12R1.100 OCCOc1cc(cc(c1)I)F 7a_100000717995_100000211926 [0,2,0,0,0,0|1,0,1]=4 11957 B12R1.226 C=C(C)CNc1cc(ccn1)F 27a_100000765925_100000764206 [0,2,0,0,0,0|2,0,0]=4 11958 B12R1.226 C=C(C)CNc1cc[nH]c(=O)c1 27a_100000765925_100000061649 [0,2,0,0,0,0|2,0,0]=4 11959 B12R1.226 C=C(C)CNc1cccc(c1)Br 34a_100000210019_100000748629 [0,2,0,0,0,0|1,0,0]=3 11960 B12R1.226 C=C(C)CNc1cccc(c1)C 2230a_100000188690_100000748629 [0,2,0,0,0,0|1,0,0]=3 11961 B12R1.226 C=C(C)CNc1cccc(c1)C 34a_100000188690_100000748629 [0,2,0,0,0,0|1,0,0]=3 11962 B12R1.226 C=C(C)CNc1cccc(c1)Cl 34a_100000185859_100000748629 [0,2,0,0,0,0|1,0,0]=3 11963 B12R1.226 C=C(C)CNc1cccc(c1)F 34a_100000210047_100000748629 [0,2,0,0,0,0|1,0,0]=3 11964 B12R1.226 C=C(C)CNc1cccc(c1)I 34a_100000211102_100000748629 [0,2,0,0,0,0|1,0,0]=3 11965 B12R1.226 C=C(C)CNc1cccc(c1)O 34a_100000210217_100000748629 [0,2,0,0,0,0|1,0,0]=3 11966 B12R1.226 C=C(C)CNc1cccc(n1)F 27a_100000765925_100009815982 [0,2,0,0,0,0|2,0,0]=4 11967 B12R1.226 C=C(C)CNc1ccnc(c1)C 27a_100000765925_100000758586 [0,2,0,0,0,0|2,0,0]=4 11968 B12R1.226 C=C(C)CNc1ccnc(c1)F 27a_100000765925_100009816116 [0,2,0,0,0,0|2,0,0]=4 11969 B12R1.226 C=C(C)COc1cc(cnn1)C 34a_100000766097_100000748629 [0,2,0,0,0,0|2,0,0]=4 11970 B12R1.226 C=C(C)COc1cc[nH]c(=O)c1 34a_100000032262_100000748629 [0,2,0,0,0,0|1,0,0]=3 11971 B12R1.226 C=C(C)COc1ccc[n+](c1)[O-] 34a_100000039713_100000748629 [0,2,0,0,0,0|1,0,0]=3 11972 B12R1.226 C=C(C)COc1ccc[n+](c1)[O-] 7a_100000039713_100000748629 [0,2,0,0,0,0|1,0,0]=3 11973 B12R1.226 C=C(C)COc1cccc(=O)[nH]1 34a_100000033347_100000748629 [0,2,0,0,0,0|1,0,0]=3 11974 B12R1.226 C=C(C)COc1cccc(c1)Br 34a_100000210342_100000748629 [0,2,0,0,0,0|0,0,0]=2 11975 B12R1.226 C=C(C)COc1cccc(c1)Br 7a_100000210342_100000748629 [0,2,0,0,0,0|0,0,0]=2 11976 B12R1.226 C=C(C)COc1cccc(c1)C 34a_100000210337_100000748629 [0,2,0,0,0,0|0,0,0]=2 11977 B12R1.226 C=C(C)COc1cccc(c1)C 7a_100000210337_100000748629 [0,2,0,0,0,0|0,0,0]=2 11978 B12R1.226 C=C(C)COc1cccc(c1)Cl 34a_100000210295_100000748629 [0,2,0,0,0,0|0,0,0]=2 11979 B12R1.226 C=C(C)COc1cccc(c1)Cl 7a_100000210295_100000748629 [0,2,0,0,0,0|0,0,0]=2 11980 B12R1.226 C=C(C)COc1cccc(c1)F 34a_100000210426_100000748629 [0,2,0,0,0,0|0,0,0]=2 11981 B12R1.226 C=C(C)COc1cccc(c1)F 7a_100000210426_100000748629 [0,2,0,0,0,0|0,0,0]=2 11982 B12R1.226 C=C(C)COc1cccc(c1)I 34a_100000211634_100000748629 [0,2,0,0,0,0|0,0,0]=2 11983 B12R1.226 C=C(C)COc1cccc(c1)I 7a_100000211634_100000748629 [0,2,0,0,0,0|0,0,0]=2 11984 B12R1.226 C=C(C)COc1cccc(c1)N 34a_100000210217_100000748629 [0,2,0,0,0,0|0,0,0]=2 11985 B12R1.226 C=C(C)COc1cccc(n1)F 34a_100011432558_100000748629 [0,2,0,0,0,0|1,0,0]=3 11986 B12R1.226 C=C(C)COc1ccnc(c1)C 34a_100000688365_100000748629 [0,2,0,0,0,0|1,0,0]=3 11987 B12R1.226 C=C(C)COc1ccnc(c1)Cl 34a_100000762945_100000748629 [0,2,0,0,0,0|1,0,0]=3 11988 B12R1.226 C=C(C)COc1ccnc(c1)F 34a_100000732698_100000748629 [0,2,0,0,0,0|1,0,0]=3 11989 B12R1.226 C=C(C)COc1ccnc(c1)N 34a_100011834064_100000748629 [0,2,0,0,0,0|1,0,0]=3 11990 B12R1.226 C=C(C)COc1cncc(c1)Br 34a_100000754920_100000748629 [0,2,0,0,0,0|1,0,0]=3 11991 B12R1.226 C=C(C)COc1cncc(c1)Br 7a_100000754920_100000748629 [0,2,0,0,0,0|1,0,0]=3 11992 B12R1.226 C=C(C)COc1cncc(c1)C 34a_100011830280_100000748629 [0,2,0,0,0,0|1,0,0]=3 11993 B12R1.226 C=C(C)COc1cncc(c1)C 7a_100011830280_100000748629 [0,2,0,0,0,0|1,0,0]=3 11994 B12R1.226 C=C(C)COc1cncc(c1)Cl 7a_100000032511_100000748629 [0,2,0,0,0,0|1,0,0]=3 11995 B12R1.226 C=C(C)COc1cncc(c1)F 34a_100011830296_100000748629 [0,2,0,0,0,0|1,0,0]=3 11996 B12R1.226 C=C(C)COc1cncc(c1)F 7a_100011830296_100000748629 [0,2,0,0,0,0|1,0,0]=3 11997 B12R1.226 C=C(C)COc1cncc(c1)N 34a_100011997051_100000748629 [0,2,0,0,0,0|1,0,0]=3 11998 B12R1.226 C=C(C)COc1cnnc(c1)Cl 34a_200010734679_100000748629 [0,2,0,0,0,0|2,0,0]=4 11999 B12R1.226 C=C(C)COc1cnnc(c1)N 34a_200015193112_100000748629 [0,2,0,0,0,0|2,0,0]=4 12000 B12R1.226 C=C(C)CSc1cc(=O)cc[nH]1 62a_100009817434_100000211660 [0,2,0,0,0,0|1,1,0]=4 12001 B12R1.226 C=C(C)CSc1cc(ccn1)C 62a_100000748629_100000750283 [0,2,0,0,0,0|1,1,0]=4 12002 B12R1.226 C=C(C)CSc1cc(ccn1)C 62a_100000750283_100000211660 [0,2,0,0,0,0|1,1,0]=4 12003 B12R1.226 C=C(C)CSc1cc(ccn1)Cl 62a_100000748629_100010167805 [0,2,0,0,0,0|1,1,0]=4 12004 B12R1.226 C=C(C)CSc1cc(ccn1)Cl 62a_100010167805_100000211660 [0,2,0,0,0,0|1,1,0]=4 12005 B12R1.226 C=C(C)CSc1cc(ccn1)F 62a_100000748629_100000764206 [0,2,0,0,0,0|1,1,0]=4 12006 B12R1.226 C=C(C)CSc1cc(ccn1)F 62a_100000764206_100000211660 [0,2,0,0,0,0|1,1,0]=4 12007 B12R1.226 C=C(C)CSc1cc(ccn1)N 62a_100000748629_100009814236 [0,2,0,0,0,0|1,1,0]=4 12008 B12R1.226 C=C(C)CSc1cc(ccn1)N 62a_100009814236_100000211660 [0,2,0,0,0,0|1,1,0]=4 12009 B12R1.226 C=C(C)CSc1cc(ccn1)O 62a_100000748629_100000762945 [0,2,0,0,0,0|1,1,0]=4 12010 B12R1.226 C=C(C)CSc1cc[nH]c(=O)c1 62a_100000748629_100009816521 [0,2,0,0,0,0|1,1,0]=4 12011 B12R1.226 C=C(C)CSc1cc[nH]c(=O)c1 62a_100009816521_100000211660 [0,2,0,0,0,0|1,1,0]=4 12012 B12R1.226 C=C(C)CSc1ccc[n+](c1)C 62a_100000748629_100009996589 [0,2,0,0,0,0|1,1,0]=4 12013 B12R1.226 C=C(C)CSc1ccc[n+](c1)C 62a_100009996589_100000211660 [0,2,0,0,0,0|1,1,0]=4 12014 B12R1.226 C=C(C)CSc1ccc[n+](c1)[O-] 62a_100000748629_100009815978 [0,2,0,0,0,0|1,1,0]=4 12015 B12R1.226 C=C(C)CSc1cccc(=O)[nH]1 62a_100000748629_100000752884 [0,2,0,0,0,0|1,1,0]=4 12016 B12R1.226 C=C(C)CSc1cccc(c1)Br 62a_100000691529_100000211660 [0,2,0,0,0,0|0,1,0]=3 12017 B12R1.226 C=C(C)CSc1cccc(c1)Br 62a_100000748629_100000691529 [0,2,0,0,0,0|0,1,0]=3 12018 B12R1.226 C=C(C)CSc1cccc(c1)C 62a_100000748629_100011215228 [0,2,0,0,0,0|0,1,0]=3 12019 B12R1.226 C=C(C)CSc1cccc(c1)C 62a_100011215228_100000211660 [0,2,0,0,0,0|0,1,0]=3 12020 B12R1.226 C=C(C)CSc1cccc(c1)Cl 62a_100000699651_100000211660 [0,2,0,0,0,0|0,1,0]=3 12021 B12R1.226 C=C(C)CSc1cccc(c1)Cl 62a_100000748629_100000699651 [0,2,0,0,0,0|0,1,0]=3 12022 B12R1.226 C=C(C)CSc1cccc(c1)F 62a_100000685547_100000211660 [0,2,0,0,0,0|0,1,0]=3 12023 B12R1.226 C=C(C)CSc1cccc(c1)F 62a_100000748629_100000685547 [0,2,0,0,0,0|0,1,0]=3 12024 B12R1.226 C=C(C)CSc1cccc(c1)N 62a_100000210019_100000211660 [0,2,0,0,0,0|0,1,0]=3 12025 B12R1.226 C=C(C)CSc1cccc(c1)N 62a_100000748629_100000210019 [0,2,0,0,0,0|0,1,0]=3 12026 B12R1.226 C=C(C)CSc1cccc(c1)O 62a_100000748629_100000211634 [0,2,0,0,0,0|0,1,0]=3 12027 B12R1.226 C=C(C)CSc1cccc(c1)[S] 62a_100000748629_114929384022 [0,2,0,0,0,0|0,1,0]=3 12028 B12R1.226 C=C(C)CSc1cccc(c1)[S] 62a_114929384022_100000211660 [0,2,0,0,0,0|0,1,0]=3 12029 B12R1.226 C=C(C)CSc1cccc(n1)Br 62a_100000684672_100000211660 [0,2,0,0,0,0|1,1,0]=4 12030 B12R1.226 C=C(C)CSc1cccc(n1)Br 62a_100000748629_100000684672 [0,2,0,0,0,0|1,1,0]=4 12031 B12R1.226 C=C(C)CSc1cccc(n1)C 62a_100000742759_100000211660 [0,2,0,0,0,0|1,1,0]=4 12032 B12R1.226 C=C(C)CSc1cccc(n1)C 62a_100000748629_100000742759 [0,2,0,0,0,0|1,1,0]=4 12033 B12R1.226 C=C(C)CSc1cccc(n1)Cl 62a_100000051397_100000211660 [0,2,0,0,0,0|1,1,0]=4 12034 B12R1.226 C=C(C)CSc1cccc(n1)Cl 62a_100000748629_100000051397 [0,2,0,0,0,0|1,1,0]=4 12035 B12R1.226 C=C(C)CSc1cccc(n1)F 62a_100000748629_100009815982 [0,2,0,0,0,0|1,1,0]=4 12036 B12R1.226 C=C(C)CSc1cccc(n1)F 62a_100009815982_100000211660 [0,2,0,0,0,0|1,1,0]=4 12037 B12R1.226 C=C(C)CSc1cccc(n1)N 62a_100000740741_100000211660 [0,2,0,0,0,0|1,1,0]=4 12038 B12R1.226 C=C(C)CSc1cccc(n1)N 62a_100000748629_100000740741 [0,2,0,0,0,0|1,1,0]=4 12039 B12R1.226 C=C(C)CSc1ccnc(c1)Br 62a_100000748629_100009814637 [0,2,0,0,0,0|1,1,0]=4 12040 B12R1.226 C=C(C)CSc1ccnc(c1)Br 62a_100009814637_100000211660 [0,2,0,0,0,0|1,1,0]=4 12041 B12R1.226 C=C(C)CSc1ccnc(c1)C 62a_100000748629_100000758586 [0,2,0,0,0,0|1,1,0]=4 12042 B12R1.226 C=C(C)CSc1ccnc(c1)C 62a_100000758586_100000211660 [0,2,0,0,0,0|1,1,0]=4 12043 B12R1.226 C=C(C)CSc1ccnc(c1)Cl 62a_100000035001_100000211660 [0,2,0,0,0,0|1,1,0]=4 12044 B12R1.226 C=C(C)CSc1ccnc(c1)Cl 62a_100000748629_100000035001 [0,2,0,0,0,0|1,1,0]=4 12045 B12R1.226 C=C(C)CSc1ccnc(c1)F 62a_100000748629_100009816116 [0,2,0,0,0,0|1,1,0]=4 12046 B12R1.226 C=C(C)CSc1ccnc(c1)F 62a_100009816116_100000211660 [0,2,0,0,0,0|1,1,0]=4 12047 B12R1.226 C=C(C)CSc1ccnc(c1)N 62a_100000049665_100000211660 [0,2,0,0,0,0|1,1,0]=4 12048 B12R1.226 C=C(C)CSc1ccnc(c1)N 62a_100000748629_100000049665 [0,2,0,0,0,0|1,1,0]=4 12049 B12R1.226 C=C(C)CSc1cncc(c1)Br 62a_100000728054_100000211660 [0,2,0,0,0,0|1,1,0]=4 12050 B12R1.226 C=C(C)CSc1cncc(c1)Br 62a_100000748629_100000728054 [0,2,0,0,0,0|1,1,0]=4 12051 B12R1.226 C=C(C)CSc1cncc(c1)C 62a_100000748629_100000760492 [0,2,0,0,0,0|1,1,0]=4 12052 B12R1.226 C=C(C)CSc1cncc(c1)C 62a_100000760492_100000211660 [0,2,0,0,0,0|1,1,0]=4 12053 B12R1.226 C=C(C)CSc1cncc(c1)Cl 62a_100000049639_100000211660 [0,2,0,0,0,0|1,1,0]=4 12054 B12R1.226 C=C(C)CSc1cncc(c1)Cl 62a_100000748629_100000049639 [0,2,0,0,0,0|1,1,0]=4 12055 B12R1.226 C=C(C)CSc1cncc(c1)F 62a_100000744099_100000211660 [0,2,0,0,0,0|1,1,0]=4 12056 B12R1.226 C=C(C)CSc1cncc(c1)F 62a_100000748629_100000744099 [0,2,0,0,0,0|1,1,0]=4 12057 B12R1.226 C=C(C)CSc1cncc(c1)N 62a_100000687067_100000211660 [0,2,0,0,0,0|1,1,0]=4 12058 B12R1.226 C=C(C)CSc1cncc(c1)N 62a_100000748629_100000687067 [0,2,0,0,0,0|1,1,0]=4 12059 B12R1.226 C=C(C)CSc1cncc(c1)O 62a_100000748629_100000754920 [0,2,0,0,0,0|1,1,0]=4 12060 B12R1.226 C=C(C)CSc1cncc(c1)O 62a_100000754920_100000211660 [0,2,0,0,0,0|1,1,0]=4 12061 B12R1.226 C=C(F)CNc1cccc(c1)Br 34a_100000210019_100009893438 [0,2,0,0,0,0|1,0,0]=3 12062 B12R1.226 C=C(F)CNc1cccc(c1)C 2230a_100000188690_100009893438 [0,2,0,0,0,0|1,0,0]=3 12063 B12R1.226 C=C(F)CNc1cccc(c1)C 34a_100000188690_100009893438 [0,2,0,0,0,0|1,0,0]=3 12064 B12R1.226 C=C(F)CNc1cccc(c1)Cl 34a_100000185859_100009893438 [0,2,0,0,0,0|1,0,0]=3 12065 B12R1.226 C=C(F)CNc1cccc(c1)F 34a_100000210047_100009893438 [0,2,0,0,0,0|1,0,0]=3 12066 B12R1.226 C=C(F)CNc1cccc(c1)I 34a_100000211102_100009893438 [0,2,0,0,0,0|1,0,0]=3 12067 B12R1.226 C=C(F)CNc1cccc(c1)O 34a_100000210217_100009893438 [0,2,0,0,0,0|1,0,0]=3 12068 B12R1.226 C=C(F)COc1cc(cnn1)C 34a_100000766097_100009893438 [0,2,0,0,0,0|2,0,0]=4 12069 B12R1.226 C=C(F)COc1cc[nH]c(=O)c1 34a_100000032262_100009893438 [0,2,0,0,0,0|1,0,0]=3 12070 B12R1.226 C=C(F)COc1ccc[n+](c1)[O-] 34a_100000039713_100009893438 [0,2,0,0,0,0|1,0,0]=3 12071 B12R1.226 C=C(F)COc1ccc[n+](c1)[O-] 7a_100000039713_100000042424 [0,2,0,0,0,0|1,0,0]=3 12072 B12R1.226 C=C(F)COc1cccc(=O)[nH]1 34a_100000033347_100009893438 [0,2,0,0,0,0|1,0,0]=3 12073 B12R1.226 C=C(F)COc1cccc(c1)Br 34a_100000210342_100009893438 [0,2,0,0,0,0|0,0,0]=2 12074 B12R1.226 C=C(F)COc1cccc(c1)Br 7a_100000210342_100000042424 [0,2,0,0,0,0|0,0,0]=2 12075 B12R1.226 C=C(F)COc1cccc(c1)C 34a_100000210337_100009893438 [0,2,0,0,0,0|0,0,0]=2 12076 B12R1.226 C=C(F)COc1cccc(c1)C 7a_100000210337_100000042424 [0,2,0,0,0,0|0,0,0]=2 12077 B12R1.226 C=C(F)COc1cccc(c1)Cl 34a_100000210295_100009893438 [0,2,0,0,0,0|0,0,0]=2 12078 B12R1.226 C=C(F)COc1cccc(c1)Cl 7a_100000210295_100000042424 [0,2,0,0,0,0|0,0,0]=2 12079 B12R1.226 C=C(F)COc1cccc(c1)F 34a_100000210426_100009893438 [0,2,0,0,0,0|0,0,0]=2 12080 B12R1.226 C=C(F)COc1cccc(c1)F 7a_100000210426_100000042424 [0,2,0,0,0,0|0,0,0]=2 12081 B12R1.226 C=C(F)COc1cccc(c1)I 34a_100000211634_100009893438 [0,2,0,0,0,0|0,0,0]=2 12082 B12R1.226 C=C(F)COc1cccc(c1)I 7a_100000211634_100000042424 [0,2,0,0,0,0|0,0,0]=2 12083 B12R1.226 C=C(F)COc1cccc(c1)N 34a_100000210217_100009893438 [0,2,0,0,0,0|0,0,0]=2 12084 B12R1.226 C=C(F)COc1cccc(n1)F 34a_100011432558_100009893438 [0,2,0,0,0,0|1,0,0]=3 12085 B12R1.226 C=C(F)COc1ccnc(c1)C 34a_100000688365_100009893438 [0,2,0,0,0,0|1,0,0]=3 12086 B12R1.226 C=C(F)COc1ccnc(c1)Cl 34a_100000762945_100009893438 [0,2,0,0,0,0|1,0,0]=3 12087 B12R1.226 C=C(F)COc1ccnc(c1)F 34a_100000732698_100009893438 [0,2,0,0,0,0|1,0,0]=3 12088 B12R1.226 C=C(F)COc1ccnc(c1)N 34a_100011834064_100009893438 [0,2,0,0,0,0|1,0,0]=3 12089 B12R1.226 C=C(F)COc1cncc(c1)Br 34a_100000754920_100009893438 [0,2,0,0,0,0|1,0,0]=3 12090 B12R1.226 C=C(F)COc1cncc(c1)Br 7a_100000754920_100000042424 [0,2,0,0,0,0|1,0,0]=3 12091 B12R1.226 C=C(F)COc1cncc(c1)C 34a_100011830280_100009893438 [0,2,0,0,0,0|1,0,0]=3 12092 B12R1.226 C=C(F)COc1cncc(c1)C 7a_100011830280_100000042424 [0,2,0,0,0,0|1,0,0]=3 12093 B12R1.226 C=C(F)COc1cncc(c1)Cl 7a_100000032511_100000042424 [0,2,0,0,0,0|1,0,0]=3 12094 B12R1.226 C=C(F)COc1cncc(c1)F 34a_100011830296_100009893438 [0,2,0,0,0,0|1,0,0]=3 12095 B12R1.226 C=C(F)COc1cncc(c1)F 7a_100011830296_100000042424 [0,2,0,0,0,0|1,0,0]=3 12096 B12R1.226 C=C(F)COc1cncc(c1)N 34a_100011997051_100009893438 [0,2,0,0,0,0|1,0,0]=3 12097 B12R1.226 C=C(F)COc1cnnc(c1)Cl 34a_200010734679_100009893438 [0,2,0,0,0,0|2,0,0]=4 12098 B12R1.226 C=C(F)COc1cnnc(c1)N 34a_200015193112_100009893438 [0,2,0,0,0,0|2,0,0]=4 12099 B12R1.226 C=C(F)CSc1cc(=O)cc[nH]1 62a_100009817434_100000042424 [0,2,0,0,0,0|1,1,0]=4 12100 B12R1.226 C=C(F)CSc1cc(ccn1)C 62a_100000042424_100000750283 [0,2,0,0,0,0|1,1,0]=4 12101 B12R1.226 C=C(F)CSc1cc(ccn1)C 62a_100000750283_100000042424 [0,2,0,0,0,0|1,1,0]=4 12102 B12R1.226 C=C(F)CSc1cc(ccn1)Cl 62a_100000042424_100010167805 [0,2,0,0,0,0|1,1,0]=4 12103 B12R1.226 C=C(F)CSc1cc(ccn1)Cl 62a_100010167805_100000042424 [0,2,0,0,0,0|1,1,0]=4 12104 B12R1.226 C=C(F)CSc1cc(ccn1)F 62a_100000042424_100000764206 [0,2,0,0,0,0|1,1,0]=4 12105 B12R1.226 C=C(F)CSc1cc(ccn1)F 62a_100000764206_100000042424 [0,2,0,0,0,0|1,1,0]=4 12106 B12R1.226 C=C(F)CSc1cc(ccn1)N 62a_100000042424_100009814236 [0,2,0,0,0,0|1,1,0]=4 12107 B12R1.226 C=C(F)CSc1cc(ccn1)N 62a_100009814236_100000042424 [0,2,0,0,0,0|1,1,0]=4 12108 B12R1.226 C=C(F)CSc1cc(ccn1)O 62a_100000042424_100000762945 [0,2,0,0,0,0|1,1,0]=4 12109 B12R1.226 C=C(F)CSc1cc[nH]c(=O)c1 62a_100000042424_100009816521 [0,2,0,0,0,0|1,1,0]=4 12110 B12R1.226 C=C(F)CSc1cc[nH]c(=O)c1 62a_100009816521_100000042424 [0,2,0,0,0,0|1,1,0]=4 12111 B12R1.226 C=C(F)CSc1ccc[n+](c1)C 62a_100000042424_100009996589 [0,2,0,0,0,0|1,1,0]=4 12112 B12R1.226 C=C(F)CSc1ccc[n+](c1)C 62a_100009996589_100000042424 [0,2,0,0,0,0|1,1,0]=4 12113 B12R1.226 C=C(F)CSc1ccc[n+](c1)[O-] 62a_100000042424_100009815978 [0,2,0,0,0,0|1,1,0]=4 12114 B12R1.226 C=C(F)CSc1cccc(=O)[nH]1 62a_100000042424_100000752884 [0,2,0,0,0,0|1,1,0]=4 12115 B12R1.226 C=C(F)CSc1cccc(c1)Br 62a_100000042424_100000691529 [0,2,0,0,0,0|0,1,0]=3 12116 B12R1.226 C=C(F)CSc1cccc(c1)Br 62a_100000691529_100000042424 [0,2,0,0,0,0|0,1,0]=3 12117 B12R1.226 C=C(F)CSc1cccc(c1)C 62a_100000042424_100011215228 [0,2,0,0,0,0|0,1,0]=3 12118 B12R1.226 C=C(F)CSc1cccc(c1)C 62a_100011215228_100000042424 [0,2,0,0,0,0|0,1,0]=3 12119 B12R1.226 C=C(F)CSc1cccc(c1)Cl 62a_100000042424_100000699651 [0,2,0,0,0,0|0,1,0]=3 12120 B12R1.226 C=C(F)CSc1cccc(c1)Cl 62a_100000699651_100000042424 [0,2,0,0,0,0|0,1,0]=3 12121 B12R1.226 C=C(F)CSc1cccc(c1)F 62a_100000042424_100000685547 [0,2,0,0,0,0|0,1,0]=3 12122 B12R1.226 C=C(F)CSc1cccc(c1)F 62a_100000685547_100000042424 [0,2,0,0,0,0|0,1,0]=3 12123 B12R1.226 C=C(F)CSc1cccc(c1)N 62a_100000042424_100000210019 [0,2,0,0,0,0|0,1,0]=3 12124 B12R1.226 C=C(F)CSc1cccc(c1)N 62a_100000210019_100000042424 [0,2,0,0,0,0|0,1,0]=3 12125 B12R1.226 C=C(F)CSc1cccc(c1)O 62a_100000042424_100000211634 [0,2,0,0,0,0|0,1,0]=3 12126 B12R1.226 C=C(F)CSc1cccc(c1)[S] 62a_100000042424_114929384022 [0,2,0,0,0,0|0,1,0]=3 12127 B12R1.226 C=C(F)CSc1cccc(c1)[S] 62a_114929384022_100000042424 [0,2,0,0,0,0|0,1,0]=3 12128 B12R1.226 C=C(F)CSc1cccc(n1)Br 62a_100000042424_100000684672 [0,2,0,0,0,0|1,1,0]=4 12129 B12R1.226 C=C(F)CSc1cccc(n1)Br 62a_100000684672_100000042424 [0,2,0,0,0,0|1,1,0]=4 12130 B12R1.226 C=C(F)CSc1cccc(n1)C 62a_100000042424_100000742759 [0,2,0,0,0,0|1,1,0]=4 12131 B12R1.226 C=C(F)CSc1cccc(n1)C 62a_100000742759_100000042424 [0,2,0,0,0,0|1,1,0]=4 12132 B12R1.226 C=C(F)CSc1cccc(n1)Cl 62a_100000042424_100000051397 [0,2,0,0,0,0|1,1,0]=4 12133 B12R1.226 C=C(F)CSc1cccc(n1)Cl 62a_100000051397_100000042424 [0,2,0,0,0,0|1,1,0]=4 12134 B12R1.226 C=C(F)CSc1cccc(n1)F 62a_100000042424_100009815982 [0,2,0,0,0,0|1,1,0]=4 12135 B12R1.226 C=C(F)CSc1cccc(n1)F 62a_100009815982_100000042424 [0,2,0,0,0,0|1,1,0]=4 12136 B12R1.226 C=C(F)CSc1cccc(n1)N 62a_100000042424_100000740741 [0,2,0,0,0,0|1,1,0]=4 12137 B12R1.226 C=C(F)CSc1cccc(n1)N 62a_100000740741_100000042424 [0,2,0,0,0,0|1,1,0]=4 12138 B12R1.226 C=C(F)CSc1ccnc(c1)Br 62a_100000042424_100009814637 [0,2,0,0,0,0|1,1,0]=4 12139 B12R1.226 C=C(F)CSc1ccnc(c1)Br 62a_100009814637_100000042424 [0,2,0,0,0,0|1,1,0]=4 12140 B12R1.226 C=C(F)CSc1ccnc(c1)C 62a_100000042424_100000758586 [0,2,0,0,0,0|1,1,0]=4 12141 B12R1.226 C=C(F)CSc1ccnc(c1)C 62a_100000758586_100000042424 [0,2,0,0,0,0|1,1,0]=4 12142 B12R1.226 C=C(F)CSc1ccnc(c1)Cl 62a_100000035001_100000042424 [0,2,0,0,0,0|1,1,0]=4 12143 B12R1.226 C=C(F)CSc1ccnc(c1)Cl 62a_100000042424_100000035001 [0,2,0,0,0,0|1,1,0]=4 12144 B12R1.226 C=C(F)CSc1ccnc(c1)F 62a_100000042424_100009816116 [0,2,0,0,0,0|1,1,0]=4 12145 B12R1.226 C=C(F)CSc1ccnc(c1)F 62a_100009816116_100000042424 [0,2,0,0,0,0|1,1,0]=4 12146 B12R1.226 C=C(F)CSc1ccnc(c1)N 62a_100000042424_100000049665 [0,2,0,0,0,0|1,1,0]=4 12147 B12R1.226 C=C(F)CSc1ccnc(c1)N 62a_100000049665_100000042424 [0,2,0,0,0,0|1,1,0]=4 12148 B12R1.226 C=C(F)CSc1cncc(c1)Br 62a_100000042424_100000728054 [0,2,0,0,0,0|1,1,0]=4 12149 B12R1.226 C=C(F)CSc1cncc(c1)Br 62a_100000728054_100000042424 [0,2,0,0,0,0|1,1,0]=4 12150 B12R1.226 C=C(F)CSc1cncc(c1)C 62a_100000042424_100000760492 [0,2,0,0,0,0|1,1,0]=4 12151 B12R1.226 C=C(F)CSc1cncc(c1)C 62a_100000760492_100000042424 [0,2,0,0,0,0|1,1,0]=4 12152 B12R1.226 C=C(F)CSc1cncc(c1)Cl 62a_100000042424_100000049639 [0,2,0,0,0,0|1,1,0]=4 12153 B12R1.226 C=C(F)CSc1cncc(c1)Cl 62a_100000049639_100000042424 [0,2,0,0,0,0|1,1,0]=4 12154 B12R1.226 C=C(F)CSc1cncc(c1)F 62a_100000042424_100000744099 [0,2,0,0,0,0|1,1,0]=4 12155 B12R1.226 C=C(F)CSc1cncc(c1)F 62a_100000744099_100000042424 [0,2,0,0,0,0|1,1,0]=4 12156 B12R1.226 C=C(F)CSc1cncc(c1)N 62a_100000042424_100000687067 [0,2,0,0,0,0|1,1,0]=4 12157 B12R1.226 C=C(F)CSc1cncc(c1)N 62a_100000687067_100000042424 [0,2,0,0,0,0|1,1,0]=4 12158 B12R1.226 C=C(F)CSc1cncc(c1)O 62a_100000042424_100000754920 [0,2,0,0,0,0|1,1,0]=4 12159 B12R1.226 C=C(F)CSc1cncc(c1)O 62a_100000754920_100000042424 [0,2,0,0,0,0|1,1,0]=4 12160 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [0,2,0,0,0,0|1,0,1]=4 12161 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [0,2,0,0,0,0|1,0,1]=4 12162 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [0,2,0,0,0,0|1,0,1]=4 12163 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [0,2,0,0,0,0|1,0,1]=4 12164 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [0,2,0,0,0,0|1,0,1]=4 12165 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [0,2,0,0,0,0|1,0,1]=4 12166 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [0,2,0,0,0,0|1,0,1]=4 12167 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [0,2,0,0,0,0|1,0,1]=4 12168 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [0,2,0,0,0,0|1,0,1]=4 12169 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [0,2,0,0,0,0|1,0,1]=4 12170 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [0,2,0,0,0,0|1,0,1]=4 12171 B12R1.226 CC(=O)COc1cccc(c1)Br 1458a_100000182359_200000210301 [0,2,0,0,0,0|0,0,1]=3 12172 B12R1.226 CC(=O)COc1cccc(c1)C 1458a_100000183606_200000210301 [0,2,0,0,0,0|0,0,1]=3 12173 B12R1.226 CC(=O)COc1cccc(c1)Cl 1458a_100000184978_200000210301 [0,2,0,0,0,0|0,0,1]=3 12174 B12R1.226 CC(=O)COc1cccc(c1)F 1458a_100000182781_200000210301 [0,2,0,0,0,0|0,0,1]=3 12175 B12R1.226 CC(=O)CSc1cccc(c1)Br 1458a_100000760868_200000210301 [0,2,0,0,0,0|0,1,1]=4 12176 B12R1.226 CC(C)COc1cccc(c1)Br 34a_100000210342_100000210624 [0,2,0,0,0,0|0,0,2]=4 12177 B12R1.226 CC(C)COc1cccc(c1)Br 7a_100000210342_100000210760 [0,2,0,0,0,0|0,0,2]=4 12178 B12R1.226 CC(C)COc1cccc(c1)Cl 34a_100000210295_100000210624 [0,2,0,0,0,0|0,0,2]=4 12179 B12R1.226 CC(C)COc1cccc(c1)Cl 7a_100000210295_100000210760 [0,2,0,0,0,0|0,0,2]=4 12180 B12R1.226 CC(C)COc1cccc(c1)F 34a_100000210426_100000210624 [0,2,0,0,0,0|0,0,2]=4 12181 B12R1.226 CC(C)COc1cccc(c1)F 7a_100000210426_100000210760 [0,2,0,0,0,0|0,0,2]=4 12182 B12R1.226 CC(C)COc1cccc(c1)I 34a_100000211634_100000210624 [0,2,0,0,0,0|0,0,2]=4 12183 B12R1.226 CC(C)COc1cccc(c1)I 7a_100000211634_100000210760 [0,2,0,0,0,0|0,0,2]=4 12184 B12R1.226 CC(C)COc1cccc(c1)N 34a_100000210217_100000210624 [0,2,0,0,0,0|0,0,2]=4 12185 B12R1.226 CC(C)COc1cccc(c1)O 271570a_203496583355_200000170005 [0,2,0,0,0,0|0,0,2]=4 12186 B12R1.226 CC(O)COc1cccc(c1)Br 34a_100000210342_100011218427 [0,2,0,0,0,0|0,0,2]=4 12187 B12R1.226 CC(O)COc1cccc(c1)Br 7a_100000210342_100011218427 [0,2,0,0,0,0|0,0,2]=4 12188 B12R1.226 CC(O)COc1cccc(c1)Cl 34a_100000210295_100011218427 [0,2,0,0,0,0|0,0,2]=4 12189 B12R1.226 CC(O)COc1cccc(c1)Cl 7a_100000210295_100011218427 [0,2,0,0,0,0|0,0,2]=4 12190 B12R1.226 CC(O)COc1cccc(c1)F 34a_100000210426_100011218427 [0,2,0,0,0,0|0,0,2]=4 12191 B12R1.226 CC(O)COc1cccc(c1)F 7a_100000210426_100011218427 [0,2,0,0,0,0|0,0,2]=4 12192 B12R1.226 CC(O)COc1cccc(c1)I 34a_100000211634_100011218427 [0,2,0,0,0,0|0,0,2]=4 12193 B12R1.226 CC(O)COc1cccc(c1)I 7a_100000211634_100011218427 [0,2,0,0,0,0|0,0,2]=4 12194 B12R1.226 CC(O)COc1cccc(c1)N 34a_100000210217_100011218427 [0,2,0,0,0,0|0,0,2]=4 12195 B12R1.226 C[C@@H](O)COc1cccc(c1)Br 34a_100000210342_100009817552 [0,2,0,0,0,0|0,0,2]=4 12196 B12R1.226 C[C@@H](O)COc1cccc(c1)Br 7a_100000210342_100009817552 [0,2,0,0,0,0|0,0,2]=4 12197 B12R1.226 C[C@@H](O)COc1cccc(c1)Cl 34a_100000210295_100009817552 [0,2,0,0,0,0|0,0,2]=4 12198 B12R1.226 C[C@@H](O)COc1cccc(c1)Cl 7a_100000210295_100009817552 [0,2,0,0,0,0|0,0,2]=4 12199 B12R1.226 C[C@@H](O)COc1cccc(c1)F 34a_100000210426_100009817552 [0,2,0,0,0,0|0,0,2]=4 12200 B12R1.226 C[C@@H](O)COc1cccc(c1)F 7a_100000210426_100009817552 [0,2,0,0,0,0|0,0,2]=4 12201 B12R1.226 C[C@@H](O)COc1cccc(c1)I 34a_100000211634_100009817552 [0,2,0,0,0,0|0,0,2]=4 12202 B12R1.226 C[C@@H](O)COc1cccc(c1)I 7a_100000211634_100009817552 [0,2,0,0,0,0|0,0,2]=4 12203 B12R1.226 C[C@@H](O)COc1cccc(c1)N 34a_100000210217_100009817552 [0,2,0,0,0,0|0,0,2]=4 12204 B12R1.226 Cc1cc(ccn1)OCC(=O)N 34a_100000688365_100000187820 [0,2,0,0,0,0|2,0,0]=4 12205 B12R1.226 Cc1cc(ccn1)OCC(=O)[O-] 34a_100000688365_100020667443 [0,2,0,0,0,0|2,0,0]=4 12206 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [0,2,0,0,0,0|1,0,1]=4 12207 B12R1.226 Cc1cccc(c1)NCC(=O)N 2230a_100000188690_100000747473 [0,2,0,0,0,0|2,0,0]=4 12208 B12R1.226 Cc1cccc(c1)NCC(=O)N 34a_100000188690_100000187820 [0,2,0,0,0,0|2,0,0]=4 12209 B12R1.226 Cc1cccc(c1)NCC(=O)[O-] 34a_100000188690_100020667443 [0,2,0,0,0,0|2,0,0]=4 12210 B12R1.226 Cc1cccc(c1)OCC(=O)N 34a_100000210337_100000187820 [0,2,0,0,0,0|1,0,0]=3 12211 B12R1.226 Cc1cccc(c1)OCC(=O)N 7a_100000210337_100000187820 [0,2,0,0,0,0|1,0,0]=3 12212 B12R1.226 Cc1cccc(c1)OCC(=O)[13CH3] 1458a_100000183606_200025704644 [0,2,0,0,0,0|0,0,1]=3 12213 B12R1.226 Cc1cccc(c1)OCC(=O)[O-] 34a_100000210337_100020667443 [0,2,0,0,0,0|1,0,0]=3 12214 B12R1.226 Cc1cccc(c1)OCC(C)C 34a_100000210337_100000210624 [0,2,0,0,0,0|0,0,2]=4 12215 B12R1.226 Cc1cccc(c1)OCC(C)C 7a_100000210337_100000210760 [0,2,0,0,0,0|0,0,2]=4 12216 B12R1.226 Cc1cccc(c1)OCC(C)O 34a_100000210337_100011218427 [0,2,0,0,0,0|0,0,2]=4 12217 B12R1.226 Cc1cccc(c1)OCC(C)O 7a_100000210337_100011218427 [0,2,0,0,0,0|0,0,2]=4 12218 B12R1.226 Cc1cccc(c1)OCC(F)F 34a_100000210337_100011934356 [0,2,0,0,0,0|1,0,1]=4 12219 B12R1.226 Cc1cccc(c1)OCC(F)F 7a_100000210337_100011934356 [0,2,0,0,0,0|1,0,1]=4 12220 B12R1.226 Cc1cccc(c1)OC[C@@H](C)O 34a_100000210337_100009817552 [0,2,0,0,0,0|0,0,2]=4 12221 B12R1.226 Cc1cccc(c1)OC[C@@H](C)O 7a_100000210337_100009817552 [0,2,0,0,0,0|0,0,2]=4 12222 B12R1.226 Cc1cccc(c1)OC[N+](=O)[O-] 34a_100000210337_100000761209 [0,2,0,0,0,0|2,0,0]=4 12223 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100000747473_100011215228 [0,2,0,0,0,0|1,1,0]=4 12224 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100011215228_100000747473 [0,2,0,0,0,0|1,1,0]=4 12225 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100011215228_100020667443 [0,2,0,0,0,0|1,1,0]=4 12226 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011215228 [0,2,0,0,0,0|1,1,0]=4 12227 B12R1.226 Cc1cncc(c1)OCC(=O)N 34a_100011830280_100000187820 [0,2,0,0,0,0|2,0,0]=4 12228 B12R1.226 Cc1cncc(c1)OCC(=O)N 7a_100011830280_100000187820 [0,2,0,0,0,0|2,0,0]=4 12229 B12R1.226 Cc1cncc(c1)OCC(=O)[O-] 34a_100011830280_100020667443 [0,2,0,0,0,0|2,0,0]=4 12230 B12R1.226 FC(F)COc1cccc(c1)Br 34a_100000210342_100011934356 [0,2,0,0,0,0|1,0,1]=4 12231 B12R1.226 FC(F)COc1cccc(c1)Br 7a_100000210342_100011934356 [0,2,0,0,0,0|1,0,1]=4 12232 B12R1.226 FC(F)COc1cccc(c1)Cl 34a_100000210295_100011934356 [0,2,0,0,0,0|1,0,1]=4 12233 B12R1.226 FC(F)COc1cccc(c1)Cl 7a_100000210295_100011934356 [0,2,0,0,0,0|1,0,1]=4 12234 B12R1.226 FC(F)COc1cccc(c1)I 34a_100000211634_100011934356 [0,2,0,0,0,0|1,0,1]=4 12235 B12R1.226 FC(F)COc1cccc(c1)I 7a_100000211634_100011934356 [0,2,0,0,0,0|1,0,1]=4 12236 B12R1.226 Fc1cccc(c1)OCC(F)F 34a_100000210426_100011934356 [0,2,0,0,0,0|1,0,1]=4 12237 B12R1.226 Fc1cccc(c1)OCC(F)F 7a_100000210426_100011934356 [0,2,0,0,0,0|1,0,1]=4 12238 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [0,2,0,0,0,0|2,0,0]=4 12239 B12R1.226 NC(=O)CNc1cccc(c1)Br 34a_100000210019_100000187820 [0,2,0,0,0,0|2,0,0]=4 12240 B12R1.226 NC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000187820 [0,2,0,0,0,0|2,0,0]=4 12241 B12R1.226 NC(=O)CNc1cccc(c1)F 34a_100000210047_100000187820 [0,2,0,0,0,0|2,0,0]=4 12242 B12R1.226 NC(=O)CNc1cccc(c1)I 34a_100000211102_100000187820 [0,2,0,0,0,0|2,0,0]=4 12243 B12R1.226 NC(=O)CNc1cccc(c1)O 34a_100000210217_100000187820 [0,2,0,0,0,0|2,0,0]=4 12244 B12R1.226 NC(=O)COc1cc[nH]c(=O)c1 34a_100000032262_100000187820 [0,2,0,0,0,0|2,0,0]=4 12245 B12R1.226 NC(=O)COc1ccc[n+](c1)[O-] 34a_100000039713_100000187820 [0,2,0,0,0,0|2,0,0]=4 12246 B12R1.226 NC(=O)COc1ccc[n+](c1)[O-] 7a_100000039713_100000187820 [0,2,0,0,0,0|2,0,0]=4 12247 B12R1.226 NC(=O)COc1cccc(=O)[nH]1 34a_100000033347_100000187820 [0,2,0,0,0,0|2,0,0]=4 12248 B12R1.226 NC(=O)COc1cccc(c1)Br 34a_100000210342_100000187820 [0,2,0,0,0,0|1,0,0]=3 12249 B12R1.226 NC(=O)COc1cccc(c1)Br 7a_100000210342_100000187820 [0,2,0,0,0,0|1,0,0]=3 12250 B12R1.226 NC(=O)COc1cccc(c1)Cl 34a_100000210295_100000187820 [0,2,0,0,0,0|1,0,0]=3 12251 B12R1.226 NC(=O)COc1cccc(c1)Cl 7a_100000210295_100000187820 [0,2,0,0,0,0|1,0,0]=3 12252 B12R1.226 NC(=O)COc1cccc(c1)F 34a_100000210426_100000187820 [0,2,0,0,0,0|1,0,0]=3 12253 B12R1.226 NC(=O)COc1cccc(c1)F 7a_100000210426_100000187820 [0,2,0,0,0,0|1,0,0]=3 12254 B12R1.226 NC(=O)COc1cccc(c1)I 34a_100000211634_100000187820 [0,2,0,0,0,0|1,0,0]=3 12255 B12R1.226 NC(=O)COc1cccc(c1)I 7a_100000211634_100000187820 [0,2,0,0,0,0|1,0,0]=3 12256 B12R1.226 NC(=O)COc1cccc(c1)N 34a_100000210217_100000187820 [0,2,0,0,0,0|1,0,0]=3 12257 B12R1.226 NC(=O)COc1cccc(c1)O 271570a_203496583355_200000150604 [0,2,0,0,0,0|1,0,0]=3 12258 B12R1.226 NC(=O)COc1cccc(n1)F 34a_100011432558_100000187820 [0,2,0,0,0,0|2,0,0]=4 12259 B12R1.226 NC(=O)COc1ccnc(c1)Cl 34a_100000762945_100000187820 [0,2,0,0,0,0|2,0,0]=4 12260 B12R1.226 NC(=O)COc1ccnc(c1)F 34a_100000732698_100000187820 [0,2,0,0,0,0|2,0,0]=4 12261 B12R1.226 NC(=O)COc1ccnc(c1)N 34a_100011834064_100000187820 [0,2,0,0,0,0|2,0,0]=4 12262 B12R1.226 NC(=O)COc1cncc(c1)Br 34a_100000754920_100000187820 [0,2,0,0,0,0|2,0,0]=4 12263 B12R1.226 NC(=O)COc1cncc(c1)Br 7a_100000754920_100000187820 [0,2,0,0,0,0|2,0,0]=4 12264 B12R1.226 NC(=O)COc1cncc(c1)Cl 7a_100000032511_100000187820 [0,2,0,0,0,0|2,0,0]=4 12265 B12R1.226 NC(=O)COc1cncc(c1)F 34a_100011830296_100000187820 [0,2,0,0,0,0|2,0,0]=4 12266 B12R1.226 NC(=O)COc1cncc(c1)F 7a_100011830296_100000187820 [0,2,0,0,0,0|2,0,0]=4 12267 B12R1.226 NC(=O)COc1cncc(c1)N 34a_100011997051_100000187820 [0,2,0,0,0,0|2,0,0]=4 12268 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747473 [0,2,0,0,0,0|1,1,0]=4 12269 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000747473_100000691529 [0,2,0,0,0,0|1,1,0]=4 12270 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747473 [0,2,0,0,0,0|1,1,0]=4 12271 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000747473_100000699651 [0,2,0,0,0,0|1,1,0]=4 12272 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000685547_100000747473 [0,2,0,0,0,0|1,1,0]=4 12273 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000747473_100000685547 [0,2,0,0,0,0|1,1,0]=4 12274 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000210019_100000747473 [0,2,0,0,0,0|1,1,0]=4 12275 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000747473_100000210019 [0,2,0,0,0,0|1,1,0]=4 12276 B12R1.226 NC(=O)CSc1cccc(c1)O 62a_100000747473_100000211634 [0,2,0,0,0,0|1,1,0]=4 12277 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_100000747473_114929384022 [0,2,0,0,0,0|1,1,0]=4 12278 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747473 [0,2,0,0,0,0|1,1,0]=4 12279 B12R1.226 Nc1cc(ccn1)OCC(=O)[O-] 34a_100011834064_100020667443 [0,2,0,0,0,0|2,0,0]=4 12280 B12R1.226 Nc1cccc(c1)OCC(=O)[O-] 34a_100000210217_100020667443 [0,2,0,0,0,0|1,0,0]=3 12281 B12R1.226 Nc1cccc(c1)OCC(F)F 34a_100000210217_100011934356 [0,2,0,0,0,0|1,0,1]=4 12282 B12R1.226 Nc1cccc(c1)OC[N+](=O)[O-] 34a_100000210217_100000761209 [0,2,0,0,0,0|2,0,0]=4 12283 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100000210019_100020667443 [0,2,0,0,0,0|1,1,0]=4 12284 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000210019 [0,2,0,0,0,0|1,1,0]=4 12285 B12R1.226 Nc1cncc(c1)OCC(=O)[O-] 34a_100011997051_100020667443 [0,2,0,0,0,0|2,0,0]=4 12286 B12R1.226 O=C([O-])CNc1cccc(c1)Br 34a_100000210019_100020667443 [0,2,0,0,0,0|2,0,0]=4 12287 B12R1.226 O=C([O-])CNc1cccc(c1)Cl 34a_100000185859_100020667443 [0,2,0,0,0,0|2,0,0]=4 12288 B12R1.226 O=C([O-])CNc1cccc(c1)F 34a_100000210047_100020667443 [0,2,0,0,0,0|2,0,0]=4 12289 B12R1.226 O=C([O-])CNc1cccc(c1)I 34a_100000211102_100020667443 [0,2,0,0,0,0|2,0,0]=4 12290 B12R1.226 O=C([O-])CNc1cccc(c1)O 34a_100000210217_100020667443 [0,2,0,0,0,0|2,0,0]=4 12291 B12R1.226 O=C([O-])COc1cc[nH]c(=O)c1 34a_100000032262_100020667443 [0,2,0,0,0,0|2,0,0]=4 12292 B12R1.226 O=C([O-])COc1ccc[n+](c1)[O-] 34a_100000039713_100020667443 [0,2,0,0,0,0|2,0,0]=4 12293 B12R1.226 O=C([O-])COc1cccc(=O)[nH]1 34a_100000033347_100020667443 [0,2,0,0,0,0|2,0,0]=4 12294 B12R1.226 O=C([O-])COc1cccc(c1)Br 34a_100000210342_100020667443 [0,2,0,0,0,0|1,0,0]=3 12295 B12R1.226 O=C([O-])COc1cccc(c1)Cl 34a_100000210295_100020667443 [0,2,0,0,0,0|1,0,0]=3 12296 B12R1.226 O=C([O-])COc1cccc(c1)F 34a_100000210426_100020667443 [0,2,0,0,0,0|1,0,0]=3 12297 B12R1.226 O=C([O-])COc1cccc(c1)I 34a_100000211634_100020667443 [0,2,0,0,0,0|1,0,0]=3 12298 B12R1.226 O=C([O-])COc1cccc(n1)F 34a_100011432558_100020667443 [0,2,0,0,0,0|2,0,0]=4 12299 B12R1.226 O=C([O-])COc1ccnc(c1)Cl 34a_100000762945_100020667443 [0,2,0,0,0,0|2,0,0]=4 12300 B12R1.226 O=C([O-])COc1ccnc(c1)F 34a_100000732698_100020667443 [0,2,0,0,0,0|2,0,0]=4 12301 B12R1.226 O=C([O-])COc1cncc(c1)Br 34a_100000754920_100020667443 [0,2,0,0,0,0|2,0,0]=4 12302 B12R1.226 O=C([O-])COc1cncc(c1)F 34a_100011830296_100020667443 [0,2,0,0,0,0|2,0,0]=4 12303 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100000691529_100020667443 [0,2,0,0,0,0|1,1,0]=4 12304 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100020667443_100000691529 [0,2,0,0,0,0|1,1,0]=4 12305 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100000699651_100020667443 [0,2,0,0,0,0|1,1,0]=4 12306 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100020667443_100000699651 [0,2,0,0,0,0|1,1,0]=4 12307 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100000685547_100020667443 [0,2,0,0,0,0|1,1,0]=4 12308 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100020667443_100000685547 [0,2,0,0,0,0|1,1,0]=4 12309 B12R1.226 O=C([O-])CSc1cccc(c1)O 62a_100020667443_100000211634 [0,2,0,0,0,0|1,1,0]=4 12310 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_100020667443_114929384022 [0,2,0,0,0,0|1,1,0]=4 12311 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_114929384022_100020667443 [0,2,0,0,0,0|1,1,0]=4 12312 B12R1.226 O=[N+]([O-])COc1cccc(c1)Br 34a_100000210342_100000761209 [0,2,0,0,0,0|2,0,0]=4 12313 B12R1.226 O=[N+]([O-])COc1cccc(c1)Cl 34a_100000210295_100000761209 [0,2,0,0,0,0|2,0,0]=4 12314 B12R1.226 O=[N+]([O-])COc1cccc(c1)F 34a_100000210426_100000761209 [0,2,0,0,0,0|2,0,0]=4 12315 B12R1.226 O=[N+]([O-])COc1cccc(c1)I 34a_100000211634_100000761209 [0,2,0,0,0,0|2,0,0]=4 12316 B12R1.226 Oc1cccc(c1)OCC(F)F 271570a_203496583355_100000763112 [0,2,0,0,0,0|1,0,1]=4 12317 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [0,2,0,0,0,0|1,0,1]=4 12318 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [0,2,0,0,0,0|1,0,1]=4 12319 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [0,2,0,0,0,0|1,0,1]=4 12320 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [0,2,0,0,0,0|1,0,1]=4 12321 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [0,2,0,0,0,0|1,0,1]=4 12322 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Br 1458a_100000182359_200025704644 [0,2,0,0,0,0|0,0,1]=3 12323 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Cl 1458a_100000184978_200025704644 [0,2,0,0,0,0|0,0,1]=3 12324 B12R1.226 [13CH3]C(=O)COc1cccc(c1)F 1458a_100000182781_200025704644 [0,2,0,0,0,0|0,0,1]=3 12325 B12R1.226 [13CH3]C(=O)CSc1cccc(c1)Br 1458a_100000760868_200025704644 [0,2,0,0,0,0|0,1,1]=4 12326 B12R1.382 C#CCOc1cccc(c1)C#C 34a_100011216014_100000184674 [0,2,0,0,0,0|0,0,2]=4 12327 B12R1.382 C#CCOc1cccc(c1)C#C 7a_100011216014_100000038162 [0,2,0,0,0,0|0,0,2]=4 12328 B12R1.382 C#CCOc1cccc(c1)C#N 34a_100000184713_100000184674 [0,2,0,0,0,0|0,0,2]=4 12329 B12R1.382 C#CCOc1cccc(c1)C#N 7a_100000184713_100000038162 [0,2,0,0,0,0|0,0,2]=4 12330 B12R1.382 C#CCOc1cccc(c1)C=C 34a_100011309434_100000184674 [0,2,0,0,0,0|0,0,2]=4 12331 B12R1.382 C#CCOc1cccc(c1)C=C 7a_100011309434_100000038162 [0,2,0,0,0,0|0,0,2]=4 12332 B12R1.382 C#CCOc1cccc(c1)CBr 34a_100011660834_100000184674 [0,2,0,0,0,0|0,0,2]=4 12333 B12R1.382 C#CCOc1cccc(c1)CBr 7a_100011660834_100000038162 [0,2,0,0,0,0|0,0,2]=4 12334 B12R1.382 C#CCOc1cccc(c1)CC 34a_100000211550_100000184674 [0,2,0,0,0,0|0,0,2]=4 12335 B12R1.382 C#CCOc1cccc(c1)CC 7a_100000211550_100000038162 [0,2,0,0,0,0|0,0,2]=4 12336 B12R1.382 C#CCOc1cccc(c1)CCl 34a_100000084143_100000184674 [0,2,0,0,0,0|0,0,2]=4 12337 B12R1.382 C#CCOc1cccc(c1)CCl 7a_100000084143_100000038162 [0,2,0,0,0,0|0,0,2]=4 12338 B12R1.382 C#CCOc1cccc(c1)CN 34a_100000743036_100000184674 [0,2,0,0,0,0|0,0,2]=4 12339 B12R1.382 C#CCOc1cccc(c1)CO 34a_100011214949_100000184674 [0,2,0,0,0,0|0,0,2]=4 12340 B12R1.382 C#CCOc1cccc(c1)CO 7a_100011214949_100000038162 [0,2,0,0,0,0|0,0,2]=4 12341 B12R1.382 C#CCOc1cccc(c1)NC 34a_100000756613_100000184674 [0,2,0,0,0,0|0,0,2]=4 12342 B12R1.382 C#CCOc1cccc(c1)NC 7a_100000756613_100000038162 [0,2,0,0,0,0|0,0,2]=4 12343 B12R1.382 C#CCOc1cccc(c1)OC 34a_100000211255_100000184674 [0,2,0,0,0,0|0,0,2]=4 12344 B12R1.382 C#CCOc1cccc(c1)OC 7a_100000211255_100000038162 [0,2,0,0,0,0|0,0,2]=4 12345 B12R1.382 C#CCOc1cccc(c1)SC 34a_100011265683_100000184674 [0,2,0,0,0,0|0,0,2]=4 12346 B12R1.382 C#CCOc1cccc(c1)SC 7a_100011265683_100000038162 [0,2,0,0,0,0|0,0,2]=4 12347 B12R1.382 C#Cc1cccc(c1)NCC=C 2230a_100000735509_100000210623 [0,2,0,0,0,0|1,0,0]=3 12348 B12R1.382 C#Cc1cccc(c1)NCC=C 34a_100000735509_100015514636 [0,2,0,0,0,0|1,0,0]=3 12349 B12R1.382 C#Cc1cccc(c1)NCC=O 2230a_100000735509_200015260668 [0,2,0,0,0,0|2,0,0]=4 12350 B12R1.382 C#Cc1cccc(c1)NCC=O 34a_100000735509_200009817547 [0,2,0,0,0,0|2,0,0]=4 12351 B12R1.382 C#Cc1cccc(c1)OCC#N 7a_100011216014_100011215382 [0,2,0,0,0,0|1,0,1]=4 12352 B12R1.382 C#Cc1cccc(c1)OCC=C 34a_100011216014_100015514636 [0,2,0,0,0,0|0,0,0]=2 12353 B12R1.382 C#Cc1cccc(c1)OCC=C 7a_100011216014_100015514636 [0,2,0,0,0,0|0,0,0]=2 12354 B12R1.382 C#Cc1cccc(c1)OCC=O 34a_100011216014_200009817547 [0,2,0,0,0,0|1,0,0]=3 12355 B12R1.382 C#Cc1cccc(c1)OCC=O 7a_100011216014_200015260668 [0,2,0,0,0,0|1,0,0]=3 12356 B12R1.382 C#Cc1cccc(c1)OCCC 34a_100011216014_100000210303 [0,2,0,0,0,0|0,0,2]=4 12357 B12R1.382 C#Cc1cccc(c1)OCCC 7a_100011216014_100000210303 [0,2,0,0,0,0|0,0,2]=4 12358 B12R1.382 C#Cc1cccc(c1)OCCF 34a_100011216014_100011217306 [0,2,0,0,0,0|1,0,1]=4 12359 B12R1.382 C#Cc1cccc(c1)OCCF 7a_100011216014_100011217306 [0,2,0,0,0,0|1,0,1]=4 12360 B12R1.382 C#Cc1cccc(c1)OCCO 34a_100011216014_100000211926 [0,2,0,0,0,0|1,0,1]=4 12361 B12R1.382 C#Cc1cccc(c1)OCCO 7a_100011216014_100000211926 [0,2,0,0,0,0|1,0,1]=4 12362 B12R1.382 C#Cc1cccc(c1)OCSC 34a_100011216014_100011218213 [0,2,0,0,0,0|1,0,1]=4 12363 B12R1.382 C=CCNc1cc(ccn1)C#N 27a_100020586998_100011291639 [0,2,0,0,0,0|2,0,0]=4 12364 B12R1.382 C=CCNc1cc(ccn1)CC 27a_100020586998_100009817561 [0,2,0,0,0,0|2,0,0]=4 12365 B12R1.382 C=CCNc1cccc(c1)C#N 34a_100000210922_100015514636 [0,2,0,0,0,0|1,0,0]=3 12366 B12R1.382 C=CCNc1cccc(c1)C#N 7a_100000210922_100015514636 [0,2,0,0,0,0|1,0,0]=3 12367 B12R1.382 C=CCNc1cccc(c1)C=C 34a_100011827668_100015514636 [0,2,0,0,0,0|1,0,0]=3 12368 B12R1.382 C=CCNc1cccc(c1)CC 2230a_100000211250_100000210623 [0,2,0,0,0,0|1,0,0]=3 12369 B12R1.382 C=CCNc1cccc(c1)CC 34a_100000211250_100015514636 [0,2,0,0,0,0|1,0,0]=3 12370 B12R1.382 C=CCNc1cccc(c1)CC 7a_100000211250_100015514636 [0,2,0,0,0,0|1,0,0]=3 12371 B12R1.382 C=CCNc1cccc(c1)CF 2230a_100000126320_100000210623 [0,2,0,0,0,0|1,0,0]=3 12372 B12R1.382 C=CCNc1cccc(c1)CF 34a_100000126320_100015514636 [0,2,0,0,0,0|1,0,0]=3 12373 B12R1.382 C=CCNc1cccc(c1)CF 7a_100000126320_100015514636 [0,2,0,0,0,0|1,0,0]=3 12374 B12R1.382 C=CCNc1cccc(c1)CO 2230a_100000211919_100000210623 [0,2,0,0,0,0|1,0,0]=3 12375 B12R1.382 C=CCNc1cccc(c1)CO 34a_100000211919_100015514636 [0,2,0,0,0,0|1,0,0]=3 12376 B12R1.382 C=CCNc1cccc(c1)OC 34a_100000210024_100015514636 [0,2,0,0,0,0|1,0,0]=3 12377 B12R1.382 C=CCNc1cccc(c1)SC 2230a_100000210049_100000210623 [0,2,0,0,0,0|1,0,0]=3 12378 B12R1.382 C=CCNc1cccc(c1)SC 34a_100000210049_100015514636 [0,2,0,0,0,0|1,0,0]=3 12379 B12R1.382 C=CCNc1cccc(n1)C#N 27a_100020586998_100011934037 [0,2,0,0,0,0|2,0,0]=4 12380 B12R1.382 C=CCNc1ccnc(c1)C#N 27a_100020586998_100000685610 [0,2,0,0,0,0|2,0,0]=4 12381 B12R1.382 C=CCNc1ccnc(c1)CC 27a_100020586998_100009820011 [0,2,0,0,0,0|2,0,0]=4 12382 B12R1.382 C=CCNc1ccnc(c1)CO 27a_100020586998_100000748867 [0,2,0,0,0,0|2,0,0]=4 12383 B12R1.382 C=CCOc1cc(ccn1)CN 34a_100000748557_100015514636 [0,2,0,0,0,0|1,0,0]=3 12384 B12R1.382 C=CCOc1ccc[n+](c1)CC 34a_100000731997_100015514636 [0,2,0,0,0,0|1,0,0]=3 12385 B12R1.382 C=CCOc1ccc[n+](c1)CC 7a_100000731997_100015514636 [0,2,0,0,0,0|1,0,0]=3 12386 B12R1.382 C=CCOc1cccc(c1)C#N 34a_100000184713_100015514636 [0,2,0,0,0,0|0,0,0]=2 12387 B12R1.382 C=CCOc1cccc(c1)C#N 7a_100000184713_100015514636 [0,2,0,0,0,0|0,0,0]=2 12388 B12R1.382 C=CCOc1cccc(c1)C=C 34a_100011309434_100015514636 [0,2,0,0,0,0|0,0,0]=2 12389 B12R1.382 C=CCOc1cccc(c1)C=C 7a_100011309434_100015514636 [0,2,0,0,0,0|0,0,0]=2 12390 B12R1.382 C=CCOc1cccc(c1)CBr 34a_100011660834_100015514636 [0,2,0,0,0,0|0,0,0]=2 12391 B12R1.382 C=CCOc1cccc(c1)CBr 7a_100011660834_100015514636 [0,2,0,0,0,0|0,0,0]=2 12392 B12R1.382 C=CCOc1cccc(c1)CC 34a_100000211550_100015514636 [0,2,0,0,0,0|0,0,0]=2 12393 B12R1.382 C=CCOc1cccc(c1)CC 7a_100000211550_100015514636 [0,2,0,0,0,0|0,0,0]=2 12394 B12R1.382 C=CCOc1cccc(c1)CCl 34a_100000084143_100015514636 [0,2,0,0,0,0|0,0,0]=2 12395 B12R1.382 C=CCOc1cccc(c1)CCl 7a_100000084143_100015514636 [0,2,0,0,0,0|0,0,0]=2 12396 B12R1.382 C=CCOc1cccc(c1)CN 34a_100000743036_100015514636 [0,2,0,0,0,0|0,0,0]=2 12397 B12R1.382 C=CCOc1cccc(c1)CO 34a_100011214949_100015514636 [0,2,0,0,0,0|0,0,0]=2 12398 B12R1.382 C=CCOc1cccc(c1)CO 7a_100011214949_100015514636 [0,2,0,0,0,0|0,0,0]=2 12399 B12R1.382 C=CCOc1cccc(c1)NC 34a_100000756613_100015514636 [0,2,0,0,0,0|0,0,0]=2 12400 B12R1.382 C=CCOc1cccc(c1)NC 7a_100000756613_100015514636 [0,2,0,0,0,0|0,0,0]=2 12401 B12R1.382 C=CCOc1cccc(c1)OC 34a_100000211255_100015514636 [0,2,0,0,0,0|0,0,0]=2 12402 B12R1.382 C=CCOc1cccc(c1)OC 7a_100000211255_100015514636 [0,2,0,0,0,0|0,0,0]=2 12403 B12R1.382 C=CCOc1cccc(c1)SC 34a_100011265683_100015514636 [0,2,0,0,0,0|0,0,0]=2 12404 B12R1.382 C=CCOc1cccc(c1)SC 7a_100011265683_100015514636 [0,2,0,0,0,0|0,0,0]=2 12405 B12R1.382 C=CCOc1ccnc(c1)C#N 34a_100011777083_100015514636 [0,2,0,0,0,0|1,0,0]=3 12406 B12R1.382 C=CCOc1ccnc(c1)C#N 7a_100011777083_100015514636 [0,2,0,0,0,0|1,0,0]=3 12407 B12R1.382 C=CCOc1ccnc(c1)OC 34a_100012181050_100015514636 [0,2,0,0,0,0|1,0,0]=3 12408 B12R1.382 C=CCOc1cncc(c1)C#N 34a_100012002025_100015514636 [0,2,0,0,0,0|1,0,0]=3 12409 B12R1.382 C=CCOc1cncc(c1)C#N 7a_100012002025_100015514636 [0,2,0,0,0,0|1,0,0]=3 12410 B12R1.382 C=CCOc1cncc(c1)CC 34a_200009861530_100015514636 [0,2,0,0,0,0|1,0,0]=3 12411 B12R1.382 C=CCOc1cncc(c1)CC 7a_200009861530_100015514636 [0,2,0,0,0,0|1,0,0]=3 12412 B12R1.382 C=CCOc1cncc(c1)OC 34a_100000084572_100015514636 [0,2,0,0,0,0|1,0,0]=3 12413 B12R1.382 C=CCOc1cncc(c1)OC 7a_100000084572_100015514636 [0,2,0,0,0,0|1,0,0]=3 12414 B12R1.382 C=CCSc1cc(ccn1)C#N 62a_100000210623_100011291639 [0,2,0,0,0,0|1,1,0]=4 12415 B12R1.382 C=CCSc1cc(ccn1)C=O 62a_100000210623_100011290808 [0,2,0,0,0,0|1,1,0]=4 12416 B12R1.382 C=CCSc1cc(ccn1)C=O 62a_100011290808_100000210623 [0,2,0,0,0,0|1,1,0]=4 12417 B12R1.382 C=CCSc1cc(ccn1)CC 62a_100000210623_100009817561 [0,2,0,0,0,0|1,1,0]=4 12418 B12R1.382 C=CCSc1cc(ccn1)CC 62a_100009817561_100000210623 [0,2,0,0,0,0|1,1,0]=4 12419 B12R1.382 C=CCSc1cc(ccn1)CN 62a_100000210623_100025757509 [0,2,0,0,0,0|1,1,0]=4 12420 B12R1.382 C=CCSc1cc(ccn1)CN 62a_100025757509_100000210623 [0,2,0,0,0,0|1,1,0]=4 12421 B12R1.382 C=CCSc1cc(ccn1)CO 62a_100000210623_100009814636 [0,2,0,0,0,0|1,1,0]=4 12422 B12R1.382 C=CCSc1cc(ccn1)CO 62a_100009814636_100000210623 [0,2,0,0,0,0|1,1,0]=4 12423 B12R1.382 C=CCSc1cc(ccn1)NC 62a_100000210623_100009869472 [0,2,0,0,0,0|1,1,0]=4 12424 B12R1.382 C=CCSc1cc(ccn1)NC 62a_100009869472_100000210623 [0,2,0,0,0,0|1,1,0]=4 12425 B12R1.382 C=CCSc1cc(ccn1)NN 62a_100000089018_100000210623 [0,2,0,0,0,0|1,1,0]=4 12426 B12R1.382 C=CCSc1cc(ccn1)NN 62a_100000210623_100000089018 [0,2,0,0,0,0|1,1,0]=4 12427 B12R1.382 C=CCSc1cc(ccn1)OC 62a_100000210623_100011216251 [0,2,0,0,0,0|1,1,0]=4 12428 B12R1.382 C=CCSc1cc(ccn1)OC 62a_100009817693_100000210623 [0,2,0,0,0,0|1,1,0]=4 12429 B12R1.382 C=CCSc1cc(ccn1)SC 62a_100000210623_100010883326 [0,2,0,0,0,0|1,1,0]=4 12430 B12R1.382 C=CCSc1cc(ccn1)SC 62a_100010883326_100000210623 [0,2,0,0,0,0|1,1,0]=4 12431 B12R1.382 C=CCSc1cccc(c1)C#N 62a_100000210623_100000189340 [0,2,0,0,0,0|0,1,0]=3 12432 B12R1.382 C=CCSc1cccc(c1)C=C 62a_100000210623_100011215241 [0,2,0,0,0,0|0,1,0]=3 12433 B12R1.382 C=CCSc1cccc(c1)C=C 62a_100011215241_100000210623 [0,2,0,0,0,0|0,1,0]=3 12434 B12R1.382 C=CCSc1cccc(c1)C=O 62a_100000014684_100000210623 [0,2,0,0,0,0|0,1,0]=3 12435 B12R1.382 C=CCSc1cccc(c1)C=O 62a_100000210623_100000014684 [0,2,0,0,0,0|0,1,0]=3 12436 B12R1.382 C=CCSc1cccc(c1)CC 62a_100000210623_100011263222 [0,2,0,0,0,0|0,1,0]=3 12437 B12R1.382 C=CCSc1cccc(c1)CC 62a_100011263222_100000210623 [0,2,0,0,0,0|0,1,0]=3 12438 B12R1.382 C=CCSc1cccc(c1)CF 62a_100000210623_100010878472 [0,2,0,0,0,0|0,1,0]=3 12439 B12R1.382 C=CCSc1cccc(c1)CF 62a_100010878472_100000210623 [0,2,0,0,0,0|0,1,0]=3 12440 B12R1.382 C=CCSc1cccc(c1)CN 62a_100000106179_100000210623 [0,2,0,0,0,0|0,1,0]=3 12441 B12R1.382 C=CCSc1cccc(c1)CN 62a_100000210623_100000106179 [0,2,0,0,0,0|0,1,0]=3 12442 B12R1.382 C=CCSc1cccc(c1)CO 62a_100000210623_100000687537 [0,2,0,0,0,0|0,1,0]=3 12443 B12R1.382 C=CCSc1cccc(c1)CO 62a_100000687537_100000210623 [0,2,0,0,0,0|0,1,0]=3 12444 B12R1.382 C=CCSc1cccc(c1)NC 62a_100000210623_100000219648 [0,2,0,0,0,0|0,1,0]=3 12445 B12R1.382 C=CCSc1cccc(c1)NC 62a_100000219648_100000210623 [0,2,0,0,0,0|0,1,0]=3 12446 B12R1.382 C=CCSc1cccc(c1)NN 62a_100000210623_100000217339 [0,2,0,0,0,0|0,1,0]=3 12447 B12R1.382 C=CCSc1cccc(c1)NN 62a_100000217339_100000210623 [0,2,0,0,0,0|0,1,0]=3 12448 B12R1.382 C=CCSc1cccc(c1)OC 62a_100000210623_100000170001 [0,2,0,0,0,0|0,1,0]=3 12449 B12R1.382 C=CCSc1cccc(c1)SC 62a_100000210623_100011215954 [0,2,0,0,0,0|0,1,0]=3 12450 B12R1.382 C=CCSc1cccc(c1)SC 62a_100011215954_100000210623 [0,2,0,0,0,0|0,1,0]=3 12451 B12R1.382 C=CCSc1cccc(n1)C#N 62a_100000210623_100011934037 [0,2,0,0,0,0|1,1,0]=4 12452 B12R1.382 C=CCSc1cccc(n1)C=O 62a_100000210623_100000688028 [0,2,0,0,0,0|1,1,0]=4 12453 B12R1.382 C=CCSc1cccc(n1)C=O 62a_100000688028_100000210623 [0,2,0,0,0,0|1,1,0]=4 12454 B12R1.382 C=CCSc1cccc(n1)CC 62a_100000210623_100009856026 [0,2,0,0,0,0|1,1,0]=4 12455 B12R1.382 C=CCSc1cccc(n1)CC 62a_100009856026_100000210623 [0,2,0,0,0,0|1,1,0]=4 12456 B12R1.382 C=CCSc1cccc(n1)CN 62a_100000210623_100016990191 [0,2,0,0,0,0|1,1,0]=4 12457 B12R1.382 C=CCSc1cccc(n1)CN 62a_100016990191_100000210623 [0,2,0,0,0,0|1,1,0]=4 12458 B12R1.382 C=CCSc1cccc(n1)CO 62a_100000210623_100000694195 [0,2,0,0,0,0|1,1,0]=4 12459 B12R1.382 C=CCSc1cccc(n1)CO 62a_100000694195_100000210623 [0,2,0,0,0,0|1,1,0]=4 12460 B12R1.382 C=CCSc1cccc(n1)NC 62a_100000210623_100000703281 [0,2,0,0,0,0|1,1,0]=4 12461 B12R1.382 C=CCSc1cccc(n1)NC 62a_100000703281_100000210623 [0,2,0,0,0,0|1,1,0]=4 12462 B12R1.382 C=CCSc1cccc(n1)NN 62a_100000210623_100009817029 [0,2,0,0,0,0|1,1,0]=4 12463 B12R1.382 C=CCSc1cccc(n1)NN 62a_100009817029_100000210623 [0,2,0,0,0,0|1,1,0]=4 12464 B12R1.382 C=CCSc1cccc(n1)OC 62a_100000210623_100000760917 [0,2,0,0,0,0|1,1,0]=4 12465 B12R1.382 C=CCSc1cccc(n1)OC 62a_100000760917_100000210623 [0,2,0,0,0,0|1,1,0]=4 12466 B12R1.382 C=CCSc1cccc(n1)SC 62a_100000210623_100011960944 [0,2,0,0,0,0|1,1,0]=4 12467 B12R1.382 C=CCSc1cccc(n1)SC 62a_100011960944_100000210623 [0,2,0,0,0,0|1,1,0]=4 12468 B12R1.382 C=CCSc1ccnc(c1)C#N 62a_100000210623_100000685610 [0,2,0,0,0,0|1,1,0]=4 12469 B12R1.382 C=CCSc1ccnc(c1)C=C 62a_100000210623_100009845566 [0,2,0,0,0,0|1,1,0]=4 12470 B12R1.382 C=CCSc1ccnc(c1)C=C 62a_100009845566_100000210623 [0,2,0,0,0,0|1,1,0]=4 12471 B12R1.382 C=CCSc1ccnc(c1)C=O 62a_100000210623_100011998288 [0,2,0,0,0,0|1,1,0]=4 12472 B12R1.382 C=CCSc1ccnc(c1)C=O 62a_100011998288_100000210623 [0,2,0,0,0,0|1,1,0]=4 12473 B12R1.382 C=CCSc1ccnc(c1)CC 62a_100000210623_100009820011 [0,2,0,0,0,0|1,1,0]=4 12474 B12R1.382 C=CCSc1ccnc(c1)CC 62a_100009820011_100000210623 [0,2,0,0,0,0|1,1,0]=4 12475 B12R1.382 C=CCSc1ccnc(c1)CN 62a_100000085674_100000210623 [0,2,0,0,0,0|1,1,0]=4 12476 B12R1.382 C=CCSc1ccnc(c1)CN 62a_100000210623_100000085674 [0,2,0,0,0,0|1,1,0]=4 12477 B12R1.382 C=CCSc1ccnc(c1)CO 62a_100000210623_100000748867 [0,2,0,0,0,0|1,1,0]=4 12478 B12R1.382 C=CCSc1ccnc(c1)CO 62a_100000748867_100000210623 [0,2,0,0,0,0|1,1,0]=4 12479 B12R1.382 C=CCSc1ccnc(c1)NC 62a_100000210623_100009819592 [0,2,0,0,0,0|1,1,0]=4 12480 B12R1.382 C=CCSc1ccnc(c1)NC 62a_100009819592_100000210623 [0,2,0,0,0,0|1,1,0]=4 12481 B12R1.382 C=CCSc1ccnc(c1)NN 62a_100000210623_100000764631 [0,2,0,0,0,0|1,1,0]=4 12482 B12R1.382 C=CCSc1ccnc(c1)NN 62a_100000764631_100000210623 [0,2,0,0,0,0|1,1,0]=4 12483 B12R1.382 C=CCSc1ccnc(c1)OC 62a_100000117307_100000210623 [0,2,0,0,0,0|1,1,0]=4 12484 B12R1.382 C=CCSc1ccnc(c1)OC 62a_100000210623_100000117307 [0,2,0,0,0,0|1,1,0]=4 12485 B12R1.382 C=CCSc1cncc(c1)C#N 62a_100000210623_100000686085 [0,2,0,0,0,0|1,1,0]=4 12486 B12R1.382 C=CCSc1cncc(c1)C=C 62a_100000210623_200012180632 [0,2,0,0,0,0|1,1,0]=4 12487 B12R1.382 C=CCSc1cncc(c1)C=C 62a_200012180632_100000210623 [0,2,0,0,0,0|1,1,0]=4 12488 B12R1.382 C=CCSc1cncc(c1)C=O 62a_100000210623_100000687066 [0,2,0,0,0,0|1,1,0]=4 12489 B12R1.382 C=CCSc1cncc(c1)C=O 62a_100000687066_100000210623 [0,2,0,0,0,0|1,1,0]=4 12490 B12R1.382 C=CCSc1cncc(c1)CC 62a_100000210623_200009819073 [0,2,0,0,0,0|1,1,0]=4 12491 B12R1.382 C=CCSc1cncc(c1)CC 62a_200009819073_100000210623 [0,2,0,0,0,0|1,1,0]=4 12492 B12R1.382 C=CCSc1cncc(c1)CN 62a_100000210623_100011249555 [0,2,0,0,0,0|1,1,0]=4 12493 B12R1.382 C=CCSc1cncc(c1)CN 62a_100011249555_100000210623 [0,2,0,0,0,0|1,1,0]=4 12494 B12R1.382 C=CCSc1cncc(c1)CO 62a_100000210623_100011259137 [0,2,0,0,0,0|1,1,0]=4 12495 B12R1.382 C=CCSc1cncc(c1)CO 62a_100011259137_100000210623 [0,2,0,0,0,0|1,1,0]=4 12496 B12R1.382 C=CCSc1cncc(c1)NC 62a_100000210623_100012184536 [0,2,0,0,0,0|1,1,0]=4 12497 B12R1.382 C=CCSc1cncc(c1)NC 62a_100012184536_100000210623 [0,2,0,0,0,0|1,1,0]=4 12498 B12R1.382 C=CCSc1cncc(c1)NN 62a_100000210623_100000727789 [0,2,0,0,0,0|1,1,0]=4 12499 B12R1.382 C=CCSc1cncc(c1)NN 62a_100000727789_100000210623 [0,2,0,0,0,0|1,1,0]=4 12500 B12R1.382 C=CCSc1cncc(c1)OC 62a_100000050176_100000210623 [0,2,0,0,0,0|1,1,0]=4 12501 B12R1.382 C=CCSc1cncc(c1)OC 62a_100000210623_100000050176 [0,2,0,0,0,0|1,1,0]=4 12502 B12R1.382 C=CCSc1cncc(c1)SC 62a_100000210623_100009816972 [0,2,0,0,0,0|1,1,0]=4 12503 B12R1.382 C=CCSc1cncc(c1)SC 62a_100009816972_100000210623 [0,2,0,0,0,0|1,1,0]=4 12504 B12R1.382 C=Cc1cccc(c1)NCC=O 34a_100011827668_200009817547 [0,2,0,0,0,0|2,0,0]=4 12505 B12R1.382 C=Cc1cccc(c1)OCC#N 271570a_100011290941_200000169433 [0,2,0,0,0,0|1,0,1]=4 12506 B12R1.382 C=Cc1cccc(c1)OCC#N 7a_100011309434_100011215382 [0,2,0,0,0,0|1,0,1]=4 12507 B12R1.382 C=Cc1cccc(c1)OCC=O 34a_100011309434_200009817547 [0,2,0,0,0,0|1,0,0]=3 12508 B12R1.382 C=Cc1cccc(c1)OCC=O 7a_100011309434_200015260668 [0,2,0,0,0,0|1,0,0]=3 12509 B12R1.382 C=Cc1cccc(c1)OCCC 271570a_100011290941_100000170004 [0,2,0,0,0,0|0,0,2]=4 12510 B12R1.382 C=Cc1cccc(c1)OCCC 34a_100011309434_100000210303 [0,2,0,0,0,0|0,0,2]=4 12511 B12R1.382 C=Cc1cccc(c1)OCCC 7a_100011309434_100000210303 [0,2,0,0,0,0|0,0,2]=4 12512 B12R1.382 C=Cc1cccc(c1)OCCF 34a_100011309434_100011217306 [0,2,0,0,0,0|1,0,1]=4 12513 B12R1.382 C=Cc1cccc(c1)OCCF 7a_100011309434_100011217306 [0,2,0,0,0,0|1,0,1]=4 12514 B12R1.382 C=Cc1cccc(c1)OCCN 271570a_100011290941_100000743521 [0,2,0,0,0,0|1,0,1]=4 12515 B12R1.382 C=Cc1cccc(c1)OCCO 271570a_100011290941_100000757546 [0,2,0,0,0,0|1,0,1]=4 12516 B12R1.382 C=Cc1cccc(c1)OCCO 34a_100011309434_100000211926 [0,2,0,0,0,0|1,0,1]=4 12517 B12R1.382 C=Cc1cccc(c1)OCCO 7a_100011309434_100000211926 [0,2,0,0,0,0|1,0,1]=4 12518 B12R1.382 C=Cc1cccc(c1)OCOC 271570a_100011290941_100012265688 [0,2,0,0,0,0|1,0,1]=4 12519 B12R1.382 C=Cc1cccc(c1)OCSC 34a_100011309434_100011218213 [0,2,0,0,0,0|1,0,1]=4 12520 B12R1.382 C=Cc1cccc(c1)SCC=O 62a_100011215241_200015260668 [0,2,0,0,0,0|1,1,0]=4 12521 B12R1.382 C=Cc1cccc(c1)SCC=O 62a_200015260668_100011215241 [0,2,0,0,0,0|1,1,0]=4 12522 B12R1.382 CCCOc1cccc(c1)C#N 34a_100000184713_100000210303 [0,2,0,0,0,0|0,0,2]=4 12523 B12R1.382 CCCOc1cccc(c1)C#N 7a_100000184713_100000210303 [0,2,0,0,0,0|0,0,2]=4 12524 B12R1.382 CCCOc1cccc(c1)CBr 34a_100011660834_100000210303 [0,2,0,0,0,0|0,0,2]=4 12525 B12R1.382 CCCOc1cccc(c1)CBr 7a_100011660834_100000210303 [0,2,0,0,0,0|0,0,2]=4 12526 B12R1.382 CCCOc1cccc(c1)CC 34a_100000211550_100000210303 [0,2,0,0,0,0|0,0,2]=4 12527 B12R1.382 CCCOc1cccc(c1)CC 7a_100000211550_100000210303 [0,2,0,0,0,0|0,0,2]=4 12528 B12R1.382 CCCOc1cccc(c1)CCl 34a_100000084143_100000210303 [0,2,0,0,0,0|0,0,2]=4 12529 B12R1.382 CCCOc1cccc(c1)CCl 7a_100000084143_100000210303 [0,2,0,0,0,0|0,0,2]=4 12530 B12R1.382 CCCOc1cccc(c1)CN 34a_100000743036_100000210303 [0,2,0,0,0,0|0,0,2]=4 12531 B12R1.382 CCCOc1cccc(c1)CO 34a_100011214949_100000210303 [0,2,0,0,0,0|0,0,2]=4 12532 B12R1.382 CCCOc1cccc(c1)CO 7a_100011214949_100000210303 [0,2,0,0,0,0|0,0,2]=4 12533 B12R1.382 CCCOc1cccc(c1)NC 34a_100000756613_100000210303 [0,2,0,0,0,0|0,0,2]=4 12534 B12R1.382 CCCOc1cccc(c1)NC 7a_100000756613_100000210303 [0,2,0,0,0,0|0,0,2]=4 12535 B12R1.382 CCCOc1cccc(c1)OC 34a_100000211255_100000210303 [0,2,0,0,0,0|0,0,2]=4 12536 B12R1.382 CCCOc1cccc(c1)OC 34a_100000748497_200000210301 [0,2,0,0,0,0|0,0,2]=4 12537 B12R1.382 CCCOc1cccc(c1)OC 7a_100000211255_100000210303 [0,2,0,0,0,0|0,0,2]=4 12538 B12R1.382 CCCOc1cccc(c1)OC 7a_100000748497_200000210301 [0,2,0,0,0,0|0,0,2]=4 12539 B12R1.382 CCCOc1cccc(c1)O[13CH3] 34a_100000748497_200025704644 [0,2,0,0,0,0|0,0,2]=4 12540 B12R1.382 CCCOc1cccc(c1)O[13CH3] 7a_100000748497_200025704644 [0,2,0,0,0,0|0,0,2]=4 12541 B12R1.382 CCCOc1cccc(c1)SC 34a_100011265683_100000210303 [0,2,0,0,0,0|0,0,2]=4 12542 B12R1.382 CCCOc1cccc(c1)SC 62a_100000170004_200000210301 [0,2,0,0,0,0|0,0,2]=4 12543 B12R1.382 CCCOc1cccc(c1)SC 62a_200000210301_100000170004 [0,2,0,0,0,0|0,0,2]=4 12544 B12R1.382 CCCOc1cccc(c1)SC 7a_100011265683_100000210303 [0,2,0,0,0,0|0,0,2]=4 12545 B12R1.382 CCCOc1cccc(c1)S[13CH3] 62a_100000170004_200025704644 [0,2,0,0,0,0|0,0,2]=4 12546 B12R1.382 CCCOc1cccc(c1)S[13CH3] 62a_200025704644_100000170004 [0,2,0,0,0,0|0,0,2]=4 12547 B12R1.382 CC[n+]1cccc(c1)OCC=O 34a_100000731997_200009817547 [0,2,0,0,0,0|2,0,0]=4 12548 B12R1.382 CC[n+]1cccc(c1)OCC=O 7a_100000731997_200015260668 [0,2,0,0,0,0|2,0,0]=4 12549 B12R1.382 CCc1cccc(c1)NCC=O 2230a_100000211250_200015260668 [0,2,0,0,0,0|2,0,0]=4 12550 B12R1.382 CCc1cccc(c1)NCC=O 34a_100000211250_200009817547 [0,2,0,0,0,0|2,0,0]=4 12551 B12R1.382 CCc1cccc(c1)NCC=O 7a_100000211250_200015260668 [0,2,0,0,0,0|2,0,0]=4 12552 B12R1.382 CCc1cccc(c1)OCC#N 7a_100000211550_100011215382 [0,2,0,0,0,0|1,0,1]=4 12553 B12R1.382 CCc1cccc(c1)OCC=O 34a_100000211550_200009817547 [0,2,0,0,0,0|1,0,0]=3 12554 B12R1.382 CCc1cccc(c1)OCC=O 7a_100000211550_200015260668 [0,2,0,0,0,0|1,0,0]=3 12555 B12R1.382 CCc1cccc(c1)OCCF 34a_100000211550_100011217306 [0,2,0,0,0,0|1,0,1]=4 12556 B12R1.382 CCc1cccc(c1)OCCF 7a_100000211550_100011217306 [0,2,0,0,0,0|1,0,1]=4 12557 B12R1.382 CCc1cccc(c1)OCCO 34a_100000211550_100000211926 [0,2,0,0,0,0|1,0,1]=4 12558 B12R1.382 CCc1cccc(c1)OCCO 7a_100000211550_100000211926 [0,2,0,0,0,0|1,0,1]=4 12559 B12R1.382 CCc1cccc(c1)OCSC 34a_100000211550_100011218213 [0,2,0,0,0,0|1,0,1]=4 12560 B12R1.382 CCc1cccc(c1)SCC=O 62a_100011263222_200015260668 [0,2,0,0,0,0|1,1,0]=4 12561 B12R1.382 CCc1cccc(c1)SCC=O 62a_200015260668_100011263222 [0,2,0,0,0,0|1,1,0]=4 12562 B12R1.382 CCc1cncc(c1)OCC=O 34a_200009861530_200009817547 [0,2,0,0,0,0|2,0,0]=4 12563 B12R1.382 CCc1cncc(c1)OCC=O 7a_200009861530_200015260668 [0,2,0,0,0,0|2,0,0]=4 12564 B12R1.382 CNc1cccc(c1)OCC#N 34a_100000739570_200000210301 [0,2,0,0,0,0|1,0,1]=4 12565 B12R1.382 CNc1cccc(c1)OCC#N 7a_100000756613_100011215382 [0,2,0,0,0,0|1,0,1]=4 12566 B12R1.382 CNc1cccc(c1)OCC=O 34a_100000756613_200009817547 [0,2,0,0,0,0|1,0,0]=3 12567 B12R1.382 CNc1cccc(c1)OCC=O 7a_100000756613_200015260668 [0,2,0,0,0,0|1,0,0]=3 12568 B12R1.382 CNc1cccc(c1)OCCF 34a_100000756613_100011217306 [0,2,0,0,0,0|1,0,1]=4 12569 B12R1.382 CNc1cccc(c1)OCCF 7a_100000756613_100011217306 [0,2,0,0,0,0|1,0,1]=4 12570 B12R1.382 CNc1cccc(c1)OCCO 2230a_100011232151_200000210301 [0,2,0,0,0,0|1,0,1]=4 12571 B12R1.382 CNc1cccc(c1)OCCO 34a_100000756613_100000211926 [0,2,0,0,0,0|1,0,1]=4 12572 B12R1.382 CNc1cccc(c1)OCCO 34a_100011232151_200000210301 [0,2,0,0,0,0|1,0,1]=4 12573 B12R1.382 CNc1cccc(c1)OCCO 7a_100000756613_100000211926 [0,2,0,0,0,0|1,0,1]=4 12574 B12R1.382 CNc1cccc(c1)OCOC 34a_100012265470_200000210301 [0,2,0,0,0,0|1,0,1]=4 12575 B12R1.382 CNc1cccc(c1)OCSC 34a_100000756613_100011218213 [0,2,0,0,0,0|1,0,1]=4 12576 B12R1.382 CNc1cccc(c1)SCC=O 62a_100000219648_200015260668 [0,2,0,0,0,0|1,1,0]=4 12577 B12R1.382 CNc1cccc(c1)SCC=O 62a_200015260668_100000219648 [0,2,0,0,0,0|1,1,0]=4 12578 B12R1.382 COCOc1cccc(c1)N[13CH3] 34a_100012265470_200025704644 [0,2,0,0,0,0|1,0,1]=4 12579 B12R1.382 COCOc1cccc(c1)SC 62a_100012265688_200000210301 [0,2,0,0,0,0|1,0,1]=4 12580 B12R1.382 COCOc1cccc(c1)SC 62a_200000210301_100012265688 [0,2,0,0,0,0|1,0,1]=4 12581 B12R1.382 COCOc1cccc(c1)S[13CH3] 62a_100012265688_200025704644 [0,2,0,0,0,0|1,0,1]=4 12582 B12R1.382 COCOc1cccc(c1)S[13CH3] 62a_200025704644_100012265688 [0,2,0,0,0,0|1,0,1]=4 12583 B12R1.382 COc1cc(ccn1)OCC=O 34a_100012181050_200009817547 [0,2,0,0,0,0|2,0,0]=4 12584 B12R1.382 COc1cccc(c1)NCC=O 34a_100000210024_200009817547 [0,2,0,0,0,0|2,0,0]=4 12585 B12R1.382 COc1cccc(c1)OCC#N 7a_100000211255_100011215382 [0,2,0,0,0,0|1,0,1]=4 12586 B12R1.382 COc1cccc(c1)OCC=O 34a_100000211255_200009817547 [0,2,0,0,0,0|1,0,0]=3 12587 B12R1.382 COc1cccc(c1)OCC=O 7a_100000211255_200015260668 [0,2,0,0,0,0|1,0,0]=3 12588 B12R1.382 COc1cccc(c1)OCCF 34a_100000211255_100011217306 [0,2,0,0,0,0|1,0,1]=4 12589 B12R1.382 COc1cccc(c1)OCCF 7a_100000211255_100011217306 [0,2,0,0,0,0|1,0,1]=4 12590 B12R1.382 COc1cccc(c1)OCCO 34a_100000211255_100000211926 [0,2,0,0,0,0|1,0,1]=4 12591 B12R1.382 COc1cccc(c1)OCCO 7a_100000211255_100000211926 [0,2,0,0,0,0|1,0,1]=4 12592 B12R1.382 COc1cccc(c1)OCSC 34a_100000211255_100011218213 [0,2,0,0,0,0|1,0,1]=4 12593 B12R1.382 COc1cccc(c1)SCC=O 62a_200015260668_100000170001 [0,2,0,0,0,0|1,1,0]=4 12594 B12R1.382 COc1cncc(c1)OCC=O 34a_100000084572_200009817547 [0,2,0,0,0,0|2,0,0]=4 12595 B12R1.382 COc1cncc(c1)OCC=O 7a_100000084572_200015260668 [0,2,0,0,0,0|2,0,0]=4 12596 B12R1.382 CSCOc1cccc(c1)C#N 34a_100000184713_100011218213 [0,2,0,0,0,0|1,0,1]=4 12597 B12R1.382 CSCOc1cccc(c1)CBr 34a_100011660834_100011218213 [0,2,0,0,0,0|1,0,1]=4 12598 B12R1.382 CSCOc1cccc(c1)CCl 34a_100000084143_100011218213 [0,2,0,0,0,0|1,0,1]=4 12599 B12R1.382 CSCOc1cccc(c1)CN 34a_100000743036_100011218213 [0,2,0,0,0,0|1,0,1]=4 12600 B12R1.382 CSCOc1cccc(c1)CO 34a_100011214949_100011218213 [0,2,0,0,0,0|1,0,1]=4 12601 B12R1.382 CSCOc1cccc(c1)SC 34a_100011265683_100011218213 [0,2,0,0,0,0|1,0,1]=4 12602 B12R1.382 CSc1cccc(c1)NCC=O 2230a_100000210049_200015260668 [0,2,0,0,0,0|2,0,0]=4 12603 B12R1.382 CSc1cccc(c1)NCC=O 34a_100000210049_200009817547 [0,2,0,0,0,0|2,0,0]=4 12604 B12R1.382 CSc1cccc(c1)OCC#N 62a_200000169433_200000210301 [0,2,0,0,0,0|1,0,1]=4 12605 B12R1.382 CSc1cccc(c1)OCC#N 62a_200000210301_200000169433 [0,2,0,0,0,0|1,0,1]=4 12606 B12R1.382 CSc1cccc(c1)OCC#N 7a_100011265683_100011215382 [0,2,0,0,0,0|1,0,1]=4 12607 B12R1.382 CSc1cccc(c1)OCC=O 34a_100011265683_200009817547 [0,2,0,0,0,0|1,0,0]=3 12608 B12R1.382 CSc1cccc(c1)OCC=O 7a_100011265683_200015260668 [0,2,0,0,0,0|1,0,0]=3 12609 B12R1.382 CSc1cccc(c1)OCCF 34a_100011265683_100011217306 [0,2,0,0,0,0|1,0,1]=4 12610 B12R1.382 CSc1cccc(c1)OCCF 7a_100011265683_100011217306 [0,2,0,0,0,0|1,0,1]=4 12611 B12R1.382 CSc1cccc(c1)OCCN 62a_100000743521_200000210301 [0,2,0,0,0,0|1,0,1]=4 12612 B12R1.382 CSc1cccc(c1)OCCN 62a_200000210301_100000743521 [0,2,0,0,0,0|1,0,1]=4 12613 B12R1.382 CSc1cccc(c1)OCCO 34a_100011265683_100000211926 [0,2,0,0,0,0|1,0,1]=4 12614 B12R1.382 CSc1cccc(c1)OCCO 62a_100000757546_200000210301 [0,2,0,0,0,0|1,0,1]=4 12615 B12R1.382 CSc1cccc(c1)OCCO 62a_200000210301_100000757546 [0,2,0,0,0,0|1,0,1]=4 12616 B12R1.382 CSc1cccc(c1)OCCO 7a_100011265683_100000211926 [0,2,0,0,0,0|1,0,1]=4 12617 B12R1.382 CSc1cccc(c1)SCC=O 62a_100011215954_200015260668 [0,2,0,0,0,0|1,1,0]=4 12618 B12R1.382 CSc1cccc(c1)SCC=O 62a_200015260668_100011215954 [0,2,0,0,0,0|1,1,0]=4 12619 B12R1.382 FCCOc1cccc(c1)CBr 34a_100011660834_100011217306 [0,2,0,0,0,0|1,0,1]=4 12620 B12R1.382 FCCOc1cccc(c1)CBr 7a_100011660834_100011217306 [0,2,0,0,0,0|1,0,1]=4 12621 B12R1.382 FCCOc1cccc(c1)CCl 34a_100000084143_100011217306 [0,2,0,0,0,0|1,0,1]=4 12622 B12R1.382 FCCOc1cccc(c1)CCl 7a_100000084143_100011217306 [0,2,0,0,0,0|1,0,1]=4 12623 B12R1.382 N#CCOc1cccc(c1)C#N 7a_100000184713_100011215382 [0,2,0,0,0,0|1,0,1]=4 12624 B12R1.382 N#CCOc1cccc(c1)CBr 7a_100011660834_100011215382 [0,2,0,0,0,0|1,0,1]=4 12625 B12R1.382 N#CCOc1cccc(c1)CCl 7a_100000084143_100011215382 [0,2,0,0,0,0|1,0,1]=4 12626 B12R1.382 N#CCOc1cccc(c1)CO 7a_100011214949_100011215382 [0,2,0,0,0,0|1,0,1]=4 12627 B12R1.382 N#Cc1cc(ccn1)OCC=O 34a_100011777083_200009817547 [0,2,0,0,0,0|2,0,0]=4 12628 B12R1.382 N#Cc1cc(ccn1)OCC=O 7a_100011777083_200015260668 [0,2,0,0,0,0|2,0,0]=4 12629 B12R1.382 N#Cc1cccc(c1)NCC=O 34a_100000210922_200009817547 [0,2,0,0,0,0|2,0,0]=4 12630 B12R1.382 N#Cc1cccc(c1)NCC=O 7a_100000210922_200015260668 [0,2,0,0,0,0|2,0,0]=4 12631 B12R1.382 N#Cc1cccc(c1)OCC=O 34a_100000184713_200009817547 [0,2,0,0,0,0|1,0,0]=3 12632 B12R1.382 N#Cc1cccc(c1)OCC=O 7a_100000184713_200015260668 [0,2,0,0,0,0|1,0,0]=3 12633 B12R1.382 N#Cc1cccc(c1)OCCF 34a_100000184713_100011217306 [0,2,0,0,0,0|1,0,1]=4 12634 B12R1.382 N#Cc1cccc(c1)OCCF 7a_100000184713_100011217306 [0,2,0,0,0,0|1,0,1]=4 12635 B12R1.382 N#Cc1cccc(c1)OCCO 34a_100000184713_100000211926 [0,2,0,0,0,0|1,0,1]=4 12636 B12R1.382 N#Cc1cccc(c1)OCCO 7a_100000184713_100000211926 [0,2,0,0,0,0|1,0,1]=4 12637 B12R1.382 N#Cc1cccc(c1)SCC=O 62a_200015260668_100000189340 [0,2,0,0,0,0|1,1,0]=4 12638 B12R1.382 N#Cc1cncc(c1)OCC=O 34a_100012002025_200009817547 [0,2,0,0,0,0|2,0,0]=4 12639 B12R1.382 N#Cc1cncc(c1)OCC=O 7a_100012002025_200015260668 [0,2,0,0,0,0|2,0,0]=4 12640 B12R1.382 NCc1cccc(c1)OCC=O 34a_100000743036_200009817547 [0,2,0,0,0,0|1,0,0]=3 12641 B12R1.382 NCc1cccc(c1)OCCF 34a_100000743036_100011217306 [0,2,0,0,0,0|1,0,1]=4 12642 B12R1.382 NCc1cccc(c1)OCCO 34a_100000743036_100000211926 [0,2,0,0,0,0|1,0,1]=4 12643 B12R1.382 NCc1cccc(c1)SCC=O 62a_100000106179_200015260668 [0,2,0,0,0,0|1,1,0]=4 12644 B12R1.382 NCc1cccc(c1)SCC=O 62a_200015260668_100000106179 [0,2,0,0,0,0|1,1,0]=4 12645 B12R1.382 NCc1ccnc(c1)OCC=O 34a_100000748557_200009817547 [0,2,0,0,0,0|2,0,0]=4 12646 B12R1.382 NNc1cccc(c1)SCC=O 62a_100000217339_200015260668 [0,2,0,0,0,0|1,1,0]=4 12647 B12R1.382 NNc1cccc(c1)SCC=O 62a_200015260668_100000217339 [0,2,0,0,0,0|1,1,0]=4 12648 B12R1.382 O=CCNc1cccc(c1)CF 2230a_100000126320_200015260668 [0,2,0,0,0,0|2,0,0]=4 12649 B12R1.382 O=CCNc1cccc(c1)CF 34a_100000126320_200009817547 [0,2,0,0,0,0|2,0,0]=4 12650 B12R1.382 O=CCNc1cccc(c1)CF 7a_100000126320_200015260668 [0,2,0,0,0,0|2,0,0]=4 12651 B12R1.382 O=CCNc1cccc(c1)CO 2230a_100000211919_200015260668 [0,2,0,0,0,0|2,0,0]=4 12652 B12R1.382 O=CCNc1cccc(c1)CO 34a_100000211919_200009817547 [0,2,0,0,0,0|2,0,0]=4 12653 B12R1.382 O=CCOc1cccc(c1)CBr 34a_100011660834_200009817547 [0,2,0,0,0,0|1,0,0]=3 12654 B12R1.382 O=CCOc1cccc(c1)CBr 7a_100011660834_200015260668 [0,2,0,0,0,0|1,0,0]=3 12655 B12R1.382 O=CCOc1cccc(c1)CCl 34a_100000084143_200009817547 [0,2,0,0,0,0|1,0,0]=3 12656 B12R1.382 O=CCOc1cccc(c1)CCl 7a_100000084143_200015260668 [0,2,0,0,0,0|1,0,0]=3 12657 B12R1.382 O=CCOc1cccc(c1)CO 34a_100011214949_200009817547 [0,2,0,0,0,0|1,0,0]=3 12658 B12R1.382 O=CCOc1cccc(c1)CO 7a_100011214949_200015260668 [0,2,0,0,0,0|1,0,0]=3 12659 B12R1.382 O=CCSc1cccc(c1)C=O 62a_100000014684_200015260668 [0,2,0,0,0,0|1,1,0]=4 12660 B12R1.382 O=CCSc1cccc(c1)C=O 62a_200015260668_100000014684 [0,2,0,0,0,0|1,1,0]=4 12661 B12R1.382 O=CCSc1cccc(c1)CF 62a_100010878472_200015260668 [0,2,0,0,0,0|1,1,0]=4 12662 B12R1.382 O=CCSc1cccc(c1)CF 62a_200015260668_100010878472 [0,2,0,0,0,0|1,1,0]=4 12663 B12R1.382 O=CCSc1cccc(c1)CO 62a_100000687537_200015260668 [0,2,0,0,0,0|1,1,0]=4 12664 B12R1.382 O=CCSc1cccc(c1)CO 62a_200015260668_100000687537 [0,2,0,0,0,0|1,1,0]=4 12665 B12R1.382 OCCOc1cccc(c1)CBr 34a_100011660834_100000211926 [0,2,0,0,0,0|1,0,1]=4 12666 B12R1.382 OCCOc1cccc(c1)CBr 7a_100011660834_100000211926 [0,2,0,0,0,0|1,0,1]=4 12667 B12R1.382 OCCOc1cccc(c1)CCl 34a_100000084143_100000211926 [0,2,0,0,0,0|1,0,1]=4 12668 B12R1.382 OCCOc1cccc(c1)CCl 7a_100000084143_100000211926 [0,2,0,0,0,0|1,0,1]=4 12669 B12R1.382 OCCOc1cccc(c1)CO 34a_100011214949_100000211926 [0,2,0,0,0,0|1,0,1]=4 12670 B12R1.382 OCCOc1cccc(c1)CO 7a_100011214949_100000211926 [0,2,0,0,0,0|1,0,1]=4 12671 B12R1.382 OCc1cccc(c1)OCCF 34a_100011214949_100011217306 [0,2,0,0,0,0|1,0,1]=4 12672 B12R1.382 OCc1cccc(c1)OCCF 7a_100011214949_100011217306 [0,2,0,0,0,0|1,0,1]=4 12673 B12R1.382 [13CH3]Nc1cccc(c1)OCC#N 34a_100000739570_200025704644 [0,2,0,0,0,0|1,0,1]=4 12674 B12R1.382 [13CH3]Nc1cccc(c1)OCCO 2230a_100011232151_200025704644 [0,2,0,0,0,0|1,0,1]=4 12675 B12R1.382 [13CH3]Nc1cccc(c1)OCCO 34a_100011232151_200025704644 [0,2,0,0,0,0|1,0,1]=4 12676 B12R1.382 [13CH3]Sc1cccc(c1)OCC#N 62a_200000169433_200025704644 [0,2,0,0,0,0|1,0,1]=4 12677 B12R1.382 [13CH3]Sc1cccc(c1)OCC#N 62a_200025704644_200000169433 [0,2,0,0,0,0|1,0,1]=4 12678 B12R1.382 [13CH3]Sc1cccc(c1)OCCN 62a_100000743521_200025704644 [0,2,0,0,0,0|1,0,1]=4 12679 B12R1.382 [13CH3]Sc1cccc(c1)OCCN 62a_200025704644_100000743521 [0,2,0,0,0,0|1,0,1]=4 12680 B12R1.382 [13CH3]Sc1cccc(c1)OCCO 62a_100000757546_200025704644 [0,2,0,0,0,0|1,0,1]=4 12681 B12R1.382 [13CH3]Sc1cccc(c1)OCCO 62a_200025704644_100000757546 [0,2,0,0,0,0|1,0,1]=4 12682 B12R1.8 BrCCCOCc1ccccc1 34a_100011217188_100015291786 [0,2,0,0,0,0|0,0,2]=4 12683 B12R1.8 BrCCOCCc1ccccc1 34a_100000211926_100000765856 [0,2,0,0,0,0|1,0,1]=4 12684 B12R1.8 C#CCCCOc1ccccc1 34a_100000210340_100000695029 [0,2,0,0,0,0|0,0,2]=4 12685 B12R1.8 C#CCCCOc1ccccc1 7a_100000210340_100011215417 [0,2,0,0,0,0|0,0,2]=4 12686 B12R1.8 C#CCCOCc1ccccc1 34a_100000210790_100000688953 [0,2,0,0,0,0|0,0,2]=4 12687 B12R1.8 C#CCCOCc1ccccc1 34a_100011215631_100015291786 [0,2,0,0,0,0|0,0,2]=4 12688 B12R1.8 C#CCCOCc1ccccc1 7a_100000210790_100000688953 [0,2,0,0,0,0|0,0,2]=4 12689 B12R1.8 C#CCOCCc1ccccc1 34a_100000210247_100000765856 [0,2,0,0,0,0|0,0,2]=4 12690 B12R1.8 C#CCOCCc1ccccc1 34a_100000210268_100000184674 [0,2,0,0,0,0|0,0,2]=4 12691 B12R1.8 C#CCOCCc1ccccc1 7a_100000210268_100000038162 [0,2,0,0,0,0|0,0,2]=4 12692 B12R1.8 C/C=C/CNCc1ccccc1 34a_100015324214_100102629194 [0,2,0,0,0,0|1,0,0]=3 12693 B12R1.8 C/C=C/COCc1ccccc1 34a_100000210790_100102629194 [0,2,0,0,0,0|0,0,0]=2 12694 B12R1.8 C/C=C/COCc1ccccc1 34a_100016270725_100015291786 [0,2,0,0,0,0|0,0,0]=2 12695 B12R1.8 C/C=C/COCc1ccccc1 7a_100000210790_100102629194 [0,2,0,0,0,0|0,0,0]=2 12696 B12R1.8 C/C=C/COCc1ccccn1 34a_100016270725_100000721315 [0,2,0,0,0,0|1,0,0]=3 12697 B12R1.8 C/C=C/COCc1cccnc1 34a_100016270725_100000733263 [0,2,0,0,0,0|1,0,0]=3 12698 B12R1.8 C/C=C/COCc1cccnn1 34a_100016270725_100016990269 [0,2,0,0,0,0|2,0,0]=4 12699 B12R1.8 C/C=C/COCc1cnccn1 34a_100016270725_100016995436 [0,2,0,0,0,0|2,0,0]=4 12700 B12R1.8 C/C=C/COCc1cncnc1 34a_100016270725_100015196519 [0,2,0,0,0,0|2,0,0]=4 12701 B12R1.8 C/C=C/COCc1ncccn1 34a_100016270725_100000703007 [0,2,0,0,0,0|2,0,0]=4 12702 B12R1.8 C/C=C/CSCc1ccccc1 62a_100000211182_100102629194 [0,2,0,0,0,0|0,1,0]=3 12703 B12R1.8 C/C=C/CSCc1ccccc1 62a_100102629194_100015291786 [0,2,0,0,0,0|0,1,0]=3 12704 B12R1.8 C/C=C/CSCc1ccccn1 62a_100000721315_100102629194 [0,2,0,0,0,0|1,1,0]=4 12705 B12R1.8 C/C=C/CSCc1ccccn1 62a_100102629194_100000721315 [0,2,0,0,0,0|1,1,0]=4 12706 B12R1.8 C/C=C/CSCc1cccnc1 62a_100000741622_100102629194 [0,2,0,0,0,0|1,1,0]=4 12707 B12R1.8 C/C=C/CSCc1cccnc1 62a_100102629194_100000741622 [0,2,0,0,0,0|1,1,0]=4 12708 B12R1.8 C/C=C/CSCc1ccncc1 62a_100015193705_100102629194 [0,2,0,0,0,0|1,1,0]=4 12709 B12R1.8 C/C=C/CSCc1ccncc1 62a_100102629194_100015193705 [0,2,0,0,0,0|1,1,0]=4 12710 B12R1.8 C=CCCCNc1ccccc1 34a_100000106764_100000757094 [0,2,0,0,0,0|1,0,0]=3 12711 B12R1.8 C=CCCCOc1ccccc1 34a_100000210340_100000757094 [0,2,0,0,0,0|0,0,0]=2 12712 B12R1.8 C=CCCCOc1ccccc1 7a_100000210340_100000757094 [0,2,0,0,0,0|0,0,0]=2 12713 B12R1.8 C=CCCCOc1cccnc1 34a_100000210849_100000757094 [0,2,0,0,0,0|1,0,0]=3 12714 B12R1.8 C=CCCCOc1cccnc1 7a_100000210849_100000757094 [0,2,0,0,0,0|1,0,0]=3 12715 B12R1.8 C=CCCCOc1ccncc1 34a_100000212176_100000757094 [0,2,0,0,0,0|1,0,0]=3 12716 B12R1.8 C=CCCCOc1ccnnc1 34a_100015204005_100000757094 [0,2,0,0,0,0|2,0,0]=4 12717 B12R1.8 C=CCCCOc1cncnc1 7a_100000754086_100000757094 [0,2,0,0,0,0|2,0,0]=4 12718 B12R1.8 C=CCCCSc1ccccc1 62a_100000719477_100000757094 [0,2,0,0,0,0|0,1,0]=3 12719 B12R1.8 C=CCCCSc1ccccc1 62a_100011713584_100000041952 [0,2,0,0,0,0|0,1,0]=3 12720 B12R1.8 C=CCCCSc1ccccn1 62a_100011216584_100000757094 [0,2,0,0,0,0|1,1,0]=4 12721 B12R1.8 C=CCCCSc1ccccn1 62a_100011713584_100011216584 [0,2,0,0,0,0|1,1,0]=4 12722 B12R1.8 C=CCCCSc1cccnc1 62a_100000210063_100000757094 [0,2,0,0,0,0|1,1,0]=4 12723 B12R1.8 C=CCCCSc1cccnc1 62a_100011713584_100000210063 [0,2,0,0,0,0|1,1,0]=4 12724 B12R1.8 C=CCCCSc1ccncc1 62a_100000728582_100000757094 [0,2,0,0,0,0|1,1,0]=4 12725 B12R1.8 C=CCCCSc1ccncc1 62a_100011713584_100000728582 [0,2,0,0,0,0|1,1,0]=4 12726 B12R1.8 C=CCCNCc1ccccc1 207a_100015191253_100015611070 [0,2,0,0,0,0|1,0,0]=3 12727 B12R1.8 C=CCCNCc1ccccc1 2230a_100015191253_100015291786 [0,2,0,0,0,0|1,0,0]=3 12728 B12R1.8 C=CCCNCc1ccccc1 2230a_100015324214_100000754431 [0,2,0,0,0,0|1,0,0]=3 12729 B12R1.8 C=CCCNCc1ccccc1 270004a_100015191253_100015611070 [0,2,0,0,0,0|1,0,0]=3 12730 B12R1.8 C=CCCNCc1ccccc1 34a_100015324214_100000754431 [0,2,0,0,0,0|1,0,0]=3 12731 B12R1.8 C=CCCNCc1ccccn1 207a_100015191253_100000209966 [0,2,0,0,0,0|2,0,0]=4 12732 B12R1.8 C=CCCNCc1ccccn1 2230a_100015191253_100000721315 [0,2,0,0,0,0|2,0,0]=4 12733 B12R1.8 C=CCCNCc1ccccn1 270004a_100015191253_100000209966 [0,2,0,0,0,0|2,0,0]=4 12734 B12R1.8 C=CCCNCc1cccnc1 207a_100015191253_100000209961 [0,2,0,0,0,0|2,0,0]=4 12735 B12R1.8 C=CCCNCc1cccnc1 2230a_100015191253_100000741622 [0,2,0,0,0,0|2,0,0]=4 12736 B12R1.8 C=CCCNCc1cccnc1 270004a_100015191253_100000209961 [0,2,0,0,0,0|2,0,0]=4 12737 B12R1.8 C=CCCNCc1ccncc1 207a_100015191253_100000186114 [0,2,0,0,0,0|2,0,0]=4 12738 B12R1.8 C=CCCNCc1ccncc1 2230a_100015191253_100015193705 [0,2,0,0,0,0|2,0,0]=4 12739 B12R1.8 C=CCCOCc1ccccc1 34a_100000210790_100000754431 [0,2,0,0,0,0|0,0,0]=2 12740 B12R1.8 C=CCCOCc1ccccc1 34a_100011205117_100015291786 [0,2,0,0,0,0|0,0,0]=2 12741 B12R1.8 C=CCCOCc1ccccc1 7a_100000210790_100000754431 [0,2,0,0,0,0|0,0,0]=2 12742 B12R1.8 C=CCCOCc1ccccn1 34a_100011205117_100000721315 [0,2,0,0,0,0|1,0,0]=3 12743 B12R1.8 C=CCCOCc1cccnc1 34a_100011205117_100000733263 [0,2,0,0,0,0|1,0,0]=3 12744 B12R1.8 C=CCCOCc1cccnn1 34a_100011205117_100016990269 [0,2,0,0,0,0|2,0,0]=4 12745 B12R1.8 C=CCCOCc1cnccn1 34a_100011205117_100016995436 [0,2,0,0,0,0|2,0,0]=4 12746 B12R1.8 C=CCCOCc1cncnc1 34a_100011205117_100015196519 [0,2,0,0,0,0|2,0,0]=4 12747 B12R1.8 C=CCCOCc1ncccn1 34a_100011205117_100000703007 [0,2,0,0,0,0|2,0,0]=4 12748 B12R1.8 C=CCCSCc1ccccc1 62a_100000211182_100000754431 [0,2,0,0,0,0|0,1,0]=3 12749 B12R1.8 C=CCCSCc1ccccc1 62a_100000754431_100015291786 [0,2,0,0,0,0|0,1,0]=3 12750 B12R1.8 C=CCCSCc1ccccn1 62a_100000721315_100000754431 [0,2,0,0,0,0|1,1,0]=4 12751 B12R1.8 C=CCCSCc1ccccn1 62a_100000754431_100000721315 [0,2,0,0,0,0|1,1,0]=4 12752 B12R1.8 C=CCCSCc1cccnc1 62a_100000741622_100000754431 [0,2,0,0,0,0|1,1,0]=4 12753 B12R1.8 C=CCCSCc1cccnc1 62a_100000754431_100000741622 [0,2,0,0,0,0|1,1,0]=4 12754 B12R1.8 C=CCCSCc1ccncc1 62a_100000754431_100015193705 [0,2,0,0,0,0|1,1,0]=4 12755 B12R1.8 C=CCCSCc1ccncc1 62a_100015193705_100000754431 [0,2,0,0,0,0|1,1,0]=4 12756 B12R1.8 C=CCNCCc1ccccc1 2230a_100000106460_100000210623 [0,2,0,0,0,0|1,0,0]=3 12757 B12R1.8 C=CCNCCc1ccccc1 2230a_100020586998_100000765856 [0,2,0,0,0,0|1,0,0]=3 12758 B12R1.8 C=CCNCCc1ccccc1 34a_100000106460_100015514636 [0,2,0,0,0,0|1,0,0]=3 12759 B12R1.8 C=CCNCCc1ccccn1 2230a_100020586998_100015183660 [0,2,0,0,0,0|2,0,0]=4 12760 B12R1.8 C=CCNCCc1cccnc1 2230a_100000736294_100000210623 [0,2,0,0,0,0|2,0,0]=4 12761 B12R1.8 C=CCNCCc1cccnc1 2230a_100020586998_200011713674 [0,2,0,0,0,0|2,0,0]=4 12762 B12R1.8 C=CCNCCc1ccncc1 2230a_100020586998_100000723409 [0,2,0,0,0,0|2,0,0]=4 12763 B12R1.8 C=CCNCSc1ccccc1 2230a_100020586998_100011218342 [0,2,0,0,0,0|0,1,0]=3 12764 B12R1.8 C=CCOCCc1ccccc1 34a_100000210268_100015514636 [0,2,0,0,0,0|0,0,0]=2 12765 B12R1.8 C=CCOCCc1ccccc1 34a_200000210373_100000765856 [0,2,0,0,0,0|0,0,0]=2 12766 B12R1.8 C=CCOCCc1ccccc1 7a_100000210268_100015514636 [0,2,0,0,0,0|0,0,0]=2 12767 B12R1.8 C=CCOCCc1ccccn1 34a_100000210271_100015514636 [0,2,0,0,0,0|1,0,0]=3 12768 B12R1.8 C=CCOCCc1cccnc1 34a_100011217484_100015514636 [0,2,0,0,0,0|1,0,0]=3 12769 B12R1.8 C=CCOCCc1ccncc1 34a_100011216225_100015514636 [0,2,0,0,0,0|1,0,0]=3 12770 B12R1.8 C=CCOCCc1cnccn1 34a_100011349526_100015514636 [0,2,0,0,0,0|2,0,0]=4 12771 B12R1.8 C=CCOCCc1cncnc1 34a_100011709255_100015514636 [0,2,0,0,0,0|2,0,0]=4 12772 B12R1.8 C=CCSCCc1ccccc1 62a_100000210623_100011218657 [0,2,0,0,0,0|0,1,0]=3 12773 B12R1.8 C=CCSCCc1ccccc1 62a_100000765856_100000210623 [0,2,0,0,0,0|0,1,0]=3 12774 B12R1.8 C=CCSCCc1ccccn1 62a_100000210623_100015183660 [0,2,0,0,0,0|1,1,0]=4 12775 B12R1.8 C=CCSCCc1ccccn1 62a_100015183660_100000210623 [0,2,0,0,0,0|1,1,0]=4 12776 B12R1.8 C=CCSCCc1cccnc1 62a_100000210623_200011713674 [0,2,0,0,0,0|1,1,0]=4 12777 B12R1.8 C=CCSCCc1cccnc1 62a_200011713674_100000210623 [0,2,0,0,0,0|1,1,0]=4 12778 B12R1.8 C=CCSCCc1ccncc1 62a_100000210623_100000723409 [0,2,0,0,0,0|1,1,0]=4 12779 B12R1.8 C=CCSCCc1ccncc1 62a_100000723409_100000210623 [0,2,0,0,0,0|1,1,0]=4 12780 B12R1.8 C=CCSCSc1ccccc1 62a_100000210623_100011218342 [0,2,0,0,0,0|0,1,0]=3 12781 B12R1.8 C=CCSCSc1ccccc1 62a_100011218342_100000210623 [0,2,0,0,0,0|0,1,0]=3 12782 B12R1.8 C=COCCNc1ccccc1 34a_100000106764_100000039644 [0,2,0,0,0,0|1,0,0]=3 12783 B12R1.8 C=COCCOc1ccccc1 34a_100000210340_100000039644 [0,2,0,0,0,0|0,0,0]=2 12784 B12R1.8 C=COCCOc1ccccc1 7a_100000210340_100000039644 [0,2,0,0,0,0|0,0,0]=2 12785 B12R1.8 C=COCCOc1cccnc1 34a_100000210849_100000039644 [0,2,0,0,0,0|1,0,0]=3 12786 B12R1.8 C=COCCOc1cccnc1 7a_100000210849_100000039644 [0,2,0,0,0,0|1,0,0]=3 12787 B12R1.8 C=COCCOc1ccncc1 34a_100000212176_100000039644 [0,2,0,0,0,0|1,0,0]=3 12788 B12R1.8 C=COCCOc1ccnnc1 34a_100015204005_100000039644 [0,2,0,0,0,0|2,0,0]=4 12789 B12R1.8 C=COCCOc1cncnc1 7a_100000754086_100000039644 [0,2,0,0,0,0|2,0,0]=4 12790 B12R1.8 C=COCCSc1ccccc1 62a_100000039644_100000041952 [0,2,0,0,0,0|0,1,0]=3 12791 B12R1.8 C=COCCSc1ccccc1 62a_100000719477_100000039644 [0,2,0,0,0,0|0,1,0]=3 12792 B12R1.8 C=COCCSc1ccccn1 62a_100000039644_100011216584 [0,2,0,0,0,0|1,1,0]=4 12793 B12R1.8 C=COCCSc1ccccn1 62a_100011216584_100000039644 [0,2,0,0,0,0|1,1,0]=4 12794 B12R1.8 C=COCCSc1cccnc1 62a_100000039644_100000210063 [0,2,0,0,0,0|1,1,0]=4 12795 B12R1.8 C=COCCSc1cccnc1 62a_100000210063_100000039644 [0,2,0,0,0,0|1,1,0]=4 12796 B12R1.8 C=COCCSc1ccncc1 62a_100000039644_100000728582 [0,2,0,0,0,0|1,1,0]=4 12797 B12R1.8 C=COCCSc1ccncc1 62a_100000728582_100000039644 [0,2,0,0,0,0|1,1,0]=4 12798 B12R1.8 CC#CCOCc1ccccc1 34a_100000210790_100000748600 [0,2,0,0,0,0|0,0,2]=4 12799 B12R1.8 CC#CCOCc1ccccc1 34a_100000761923_100015291786 [0,2,0,0,0,0|0,0,2]=4 12800 B12R1.8 CC#CCOCc1ccccc1 7a_100000210790_100000748600 [0,2,0,0,0,0|0,0,2]=4 12801 B12R1.8 CC/C=C\CNc1ccccc1 34a_100000106764_100103147603 [0,2,0,0,0,0|1,0,0]=3 12802 B12R1.8 CC/C=C\COc1ccccc1 34a_100000210340_100103147603 [0,2,0,0,0,0|0,0,0]=2 12803 B12R1.8 CC/C=C\COc1ccccc1 7a_100000210340_100103147603 [0,2,0,0,0,0|0,0,0]=2 12804 B12R1.8 CC/C=C\COc1cccnc1 34a_100000210849_100103147603 [0,2,0,0,0,0|1,0,0]=3 12805 B12R1.8 CC/C=C\COc1cccnc1 7a_100000210849_100103147603 [0,2,0,0,0,0|1,0,0]=3 12806 B12R1.8 CC/C=C\COc1ccncc1 34a_100000212176_100103147603 [0,2,0,0,0,0|1,0,0]=3 12807 B12R1.8 CC/C=C\COc1ccnnc1 34a_100015204005_100103147603 [0,2,0,0,0,0|2,0,0]=4 12808 B12R1.8 CC/C=C\COc1cncnc1 7a_100000754086_100103147603 [0,2,0,0,0,0|2,0,0]=4 12809 B12R1.8 CC/C=C\CSc1ccccc1 62a_100000719477_100103147603 [0,2,0,0,0,0|0,1,0]=3 12810 B12R1.8 CC/C=C\CSc1ccccc1 62a_100103147603_100000041952 [0,2,0,0,0,0|0,1,0]=3 12811 B12R1.8 CC/C=C\CSc1ccccn1 62a_100011216584_100103147603 [0,2,0,0,0,0|1,1,0]=4 12812 B12R1.8 CC/C=C\CSc1ccccn1 62a_100103147603_100011216584 [0,2,0,0,0,0|1,1,0]=4 12813 B12R1.8 CC/C=C\CSc1cccnc1 62a_100000210063_100103147603 [0,2,0,0,0,0|1,1,0]=4 12814 B12R1.8 CC/C=C\CSc1cccnc1 62a_100103147603_100000210063 [0,2,0,0,0,0|1,1,0]=4 12815 B12R1.8 CC/C=C\CSc1ccncc1 62a_100000728582_100103147603 [0,2,0,0,0,0|1,1,0]=4 12816 B12R1.8 CC/C=C\CSc1ccncc1 62a_100103147603_100000728582 [0,2,0,0,0,0|1,1,0]=4 12817 B12R1.8 CC=CCNCc1ccccc1 2230a_100015324214_100000070051 [0,2,0,0,0,0|1,0,0]=3 12818 B12R1.8 CC=CCNCc1ccccc1 34a_100015324214_100000070051 [0,2,0,0,0,0|1,0,0]=3 12819 B12R1.8 CC=CCOCc1ccccc1 34a_100000210790_100000070051 [0,2,0,0,0,0|0,0,0]=2 12820 B12R1.8 CC=CCOCc1ccccc1 7a_100000210790_100000070051 [0,2,0,0,0,0|0,0,0]=2 12821 B12R1.8 CC=CCSCc1ccccc1 62a_100000070051_100015291786 [0,2,0,0,0,0|0,1,0]=3 12822 B12R1.8 CC=CCSCc1ccccc1 62a_100000211182_100000070051 [0,2,0,0,0,0|0,1,0]=3 12823 B12R1.8 CC=CCSCc1ccccn1 62a_100000070051_100000721315 [0,2,0,0,0,0|1,1,0]=4 12824 B12R1.8 CC=CCSCc1ccccn1 62a_100000721315_100000070051 [0,2,0,0,0,0|1,1,0]=4 12825 B12R1.8 CC=CCSCc1cccnc1 62a_100000070051_100000741622 [0,2,0,0,0,0|1,1,0]=4 12826 B12R1.8 CC=CCSCc1cccnc1 62a_100000741622_100000070051 [0,2,0,0,0,0|1,1,0]=4 12827 B12R1.8 CC=CCSCc1ccncc1 62a_100000070051_100015193705 [0,2,0,0,0,0|1,1,0]=4 12828 B12R1.8 CC=CCSCc1ccncc1 62a_100015193705_100000070051 [0,2,0,0,0,0|1,1,0]=4 12829 B12R1.8 CC=NNCCc1ccccc1 4a_100000740470_200000210099 [0,2,0,0,0,0|1,0,1]=4 12830 B12R1.8 CCC#CCOc1ccccc1 34a_100000210340_100009813939 [0,2,0,0,0,0|0,0,2]=4 12831 B12R1.8 CCC#CCOc1ccccc1 7a_100000210340_100009813939 [0,2,0,0,0,0|0,0,2]=4 12832 B12R1.8 CCCCCOc1ccccc1 34a_100000210340_100000718602 [0,2,0,0,0,0|0,0,2]=4 12833 B12R1.8 CCCCCOc1ccccc1 7a_100000210340_100000210326 [0,2,0,0,0,0|0,0,2]=4 12834 B12R1.8 CCCCOCc1ccccc1 34a_100000210227_100015291786 [0,2,0,0,0,0|0,0,2]=4 12835 B12R1.8 CCCCOCc1ccccc1 34a_100000210790_100000210210 [0,2,0,0,0,0|0,0,2]=4 12836 B12R1.8 CCCCOCc1ccccc1 7a_100000210227_100000211182 [0,2,0,0,0,0|0,0,2]=4 12837 B12R1.8 CCCCOCc1ccccc1 7a_100000210790_100000210211 [0,2,0,0,0,0|0,0,2]=4 12838 B12R1.8 CCCOCCc1ccccc1 34a_100000210258_100000765856 [0,2,0,0,0,0|0,0,2]=4 12839 B12R1.8 CCCOCCc1ccccc1 34a_100000210268_100000210303 [0,2,0,0,0,0|0,0,2]=4 12840 B12R1.8 CCCOCCc1ccccc1 7a_100000210268_100000210303 [0,2,0,0,0,0|0,0,2]=4 12841 B12R1.8 CCNCCOc1ccccc1 2230a_100000174943_100000210202 [0,2,0,0,0,0|0,0,2]=4 12842 B12R1.8 CCNCCOc1ccccc1 2230a_100015525214_100000184471 [0,2,0,0,0,0|0,0,2]=4 12843 B12R1.8 CCNCCOc1ccccc1 270004a_100015525214_100000758736 [0,2,0,0,0,0|0,0,2]=4 12844 B12R1.8 CCNCCOc1ccccc1 34a_100000174943_100000210202 [0,2,0,0,0,0|0,0,2]=4 12845 B12R1.8 CCNCOCc1ccccc1 2230a_100015525214_100000763385 [0,2,0,0,0,0|0,0,2]=4 12846 B12R1.8 CCOCCOc1ccccc1 34a_100000210260_100000210202 [0,2,0,0,0,0|0,0,2]=4 12847 B12R1.8 CCOCCOc1ccccc1 34a_100000210340_100000210147 [0,2,0,0,0,0|0,0,2]=4 12848 B12R1.8 CCOCCOc1ccccc1 34a_100121572206_100000184471 [0,2,0,0,0,0|0,0,2]=4 12849 B12R1.8 CCOCCOc1ccccc1 7a_100000210260_100000210202 [0,2,0,0,0,0|0,0,2]=4 12850 B12R1.8 CCOCCOc1ccccc1 7a_100000210340_100011215890 [0,2,0,0,0,0|0,0,2]=4 12851 B12R1.8 CCOCOCc1ccccc1 34a_100121572206_100000763385 [0,2,0,0,0,0|0,0,2]=4 12852 B12R1.8 CCSCCOc1ccccc1 34a_100000210340_100000757381 [0,2,0,0,0,0|0,0,2]=4 12853 B12R1.8 CCSCCOc1ccccc1 62a_100000184471_100000210202 [0,2,0,0,0,0|0,0,2]=4 12854 B12R1.8 CCSCCOc1ccccc1 62a_100000210202_100000184471 [0,2,0,0,0,0|0,0,2]=4 12855 B12R1.8 CCSCCOc1ccccc1 7a_100000210340_100000757381 [0,2,0,0,0,0|0,0,2]=4 12856 B12R1.8 CCSCOCc1ccccc1 62a_100000210202_100000763385 [0,2,0,0,0,0|0,0,2]=4 12857 B12R1.8 CCSCOCc1ccccc1 62a_100000763385_100000210202 [0,2,0,0,0,0|0,0,2]=4 12858 B12R1.8 CNCCCOc1ccccc1 2230a_100000216521_200000210301 [0,2,0,0,0,0|0,0,2]=4 12859 B12R1.8 CNCCCOc1ccccc1 2230a_106832991635_100000199009 [0,2,0,0,0,0|0,0,2]=4 12860 B12R1.8 CNCCCOc1ccccc1 34a_100000216521_200000210301 [0,2,0,0,0,0|0,0,2]=4 12861 B12R1.8 CNCCCOc1ccccc1 34a_100102657272_100000199009 [0,2,0,0,0,0|0,0,2]=4 12862 B12R1.8 CNCCCOc1ccccc1 7a_106832991635_100000199009 [0,2,0,0,0,0|0,0,2]=4 12863 B12R1.8 CNCCOCc1ccccc1 2230a_100000753106_200000210301 [0,2,0,0,0,0|0,0,2]=4 12864 B12R1.8 CNCCOCc1ccccc1 2230a_106832991635_100000234347 [0,2,0,0,0,0|0,0,2]=4 12865 B12R1.8 CNCCOCc1ccccc1 34a_100000753106_200000210301 [0,2,0,0,0,0|0,0,2]=4 12866 B12R1.8 CNCCOCc1ccccc1 34a_100102657272_100000234347 [0,2,0,0,0,0|0,0,2]=4 12867 B12R1.8 CNCCOCc1ccccc1 7a_106832991635_100000234347 [0,2,0,0,0,0|0,0,2]=4 12868 B12R1.8 COCCCOc1ccccc1 34a_100000210340_100000740836 [0,2,0,0,0,0|0,0,2]=4 12869 B12R1.8 COCCCOc1ccccc1 34a_100011215863_200000210301 [0,2,0,0,0,0|0,0,2]=4 12870 B12R1.8 COCCCOc1ccccc1 34a_100138415774_100000199009 [0,2,0,0,0,0|0,0,2]=4 12871 B12R1.8 COCCCOc1ccccc1 7a_100000210340_100000740836 [0,2,0,0,0,0|0,0,2]=4 12872 B12R1.8 COCCCOc1ccccc1 7a_100011215863_200000210301 [0,2,0,0,0,0|0,0,2]=4 12873 B12R1.8 COCCOCc1ccccc1 34a_100000210237_100015291786 [0,2,0,0,0,0|0,0,2]=4 12874 B12R1.8 COCCOCc1ccccc1 34a_100000210790_100011201679 [0,2,0,0,0,0|0,0,2]=4 12875 B12R1.8 COCCOCc1ccccc1 34a_100000759325_200000210301 [0,2,0,0,0,0|0,0,2]=4 12876 B12R1.8 COCCOCc1ccccc1 34a_100138415774_100000234347 [0,2,0,0,0,0|0,0,2]=4 12877 B12R1.8 COCCOCc1ccccc1 7a_100000210790_100000233755 [0,2,0,0,0,0|0,0,2]=4 12878 B12R1.8 COCCOCc1ccccc1 7a_100000759325_200000210301 [0,2,0,0,0,0|0,0,2]=4 12879 B12R1.8 CSCCCOc1ccccc1 62a_100000199009_200000210301 [0,2,0,0,0,0|0,0,2]=4 12880 B12R1.8 CSCCCOc1ccccc1 62a_200000210301_100000199009 [0,2,0,0,0,0|0,0,2]=4 12881 B12R1.8 CSCCOCc1ccccc1 34a_100000210790_100000212216 [0,2,0,0,0,0|0,0,2]=4 12882 B12R1.8 CSCCOCc1ccccc1 34a_100000230434_100015291786 [0,2,0,0,0,0|0,0,2]=4 12883 B12R1.8 CSCCOCc1ccccc1 62a_100000234347_200000210301 [0,2,0,0,0,0|0,0,2]=4 12884 B12R1.8 CSCCOCc1ccccc1 62a_200000210301_100000234347 [0,2,0,0,0,0|0,0,2]=4 12885 B12R1.8 CSCCOCc1ccccc1 7a_100000210790_100000212216 [0,2,0,0,0,0|0,0,2]=4 12886 B12R1.8 CSCCOCc1ccccc1 7a_100000230434_100000211182 [0,2,0,0,0,0|0,0,2]=4 12887 B12R1.8 CSCOCCc1ccccc1 34a_100000210268_100011218213 [0,2,0,0,0,0|1,0,1]=4 12888 B12R1.8 ClCCCOCc1ccccc1 34a_100000230001_100015291786 [0,2,0,0,0,0|0,0,2]=4 12889 B12R1.8 FCCCCOc1ccccc1 34a_100000210340_100000729493 [0,2,0,0,0,0|0,0,2]=4 12890 B12R1.8 FCCCCOc1ccccc1 7a_100000210340_100000729493 [0,2,0,0,0,0|0,0,2]=4 12891 B12R1.8 FCCCOCc1ccccc1 34a_100000210790_100011934791 [0,2,0,0,0,0|0,0,2]=4 12892 B12R1.8 FCCCOCc1ccccc1 34a_100000759539_100015291786 [0,2,0,0,0,0|0,0,2]=4 12893 B12R1.8 FCCCOCc1ccccc1 7a_100000210790_100011934791 [0,2,0,0,0,0|0,0,2]=4 12894 B12R1.8 FCCOCCc1ccccc1 34a_100000210268_100011217306 [0,2,0,0,0,0|1,0,1]=4 12895 B12R1.8 FCCOCCc1ccccc1 7a_100000210268_100011217306 [0,2,0,0,0,0|1,0,1]=4 12896 B12R1.8 FCNCCOc1ccccc1 34a_100000174943_100015361967 [0,2,0,0,0,0|0,0,2]=4 12897 B12R1.8 FCOCCOc1ccccc1 34a_100000210260_100015361967 [0,2,0,0,0,0|0,0,2]=4 12898 B12R1.8 FCOCCOc1ccccc1 7a_100000210260_100015361967 [0,2,0,0,0,0|0,0,2]=4 12899 B12R1.8 FCSCCOc1ccccc1 62a_100000184471_100015361967 [0,2,0,0,0,0|0,0,2]=4 12900 B12R1.8 FCSCCOc1ccccc1 62a_100015361967_100000184471 [0,2,0,0,0,0|0,0,2]=4 12901 B12R1.8 FCSCOCc1ccccc1 62a_100000763385_100015361967 [0,2,0,0,0,0|1,0,1]=4 12902 B12R1.8 FCSCOCc1ccccc1 62a_100015361967_100000763385 [0,2,0,0,0,0|1,0,1]=4 12903 B12R1.8 N#CCCCOc1ccccc1 7a_100000210340_100000687738 [0,2,0,0,0,0|0,0,2]=4 12904 B12R1.8 N#CCCOCc1ccccc1 7a_100000210790_100000184422 [0,2,0,0,0,0|0,0,2]=4 12905 B12R1.8 N#CCOCCc1ccccc1 7a_100000210268_100011215382 [0,2,0,0,0,0|1,0,1]=4 12906 B12R1.8 NCCCOCc1ccccc1 34a_100000182051_100015291786 [0,2,0,0,0,0|0,0,2]=4 12907 B12R1.8 NCCOCCc1ccccc1 34a_100000210304_100000765856 [0,2,0,0,0,0|1,0,1]=4 12908 B12R1.8 NOCCOCc1ccccc1 34a_100000700252_100015291786 [0,2,0,0,0,0|1,0,1]=4 12909 B12R1.8 O=CCCCOc1ccccc1 7a_100000210340_200011292268 [0,2,0,0,0,0|0,0,1]=3 12910 B12R1.8 O=CCCCOc1cccnc1 7a_100000210849_200011292268 [0,2,0,0,0,0|1,0,1]=4 12911 B12R1.8 O=CCCCSc1ccccc1 62a_100000719477_200011292268 [0,2,0,0,0,0|0,1,1]=4 12912 B12R1.8 O=CCCCSc1ccccc1 62a_200011292268_100000041952 [0,2,0,0,0,0|0,1,1]=4 12913 B12R1.8 O=CCNCCc1ccccc1 2230a_100000106460_200015260668 [0,2,0,0,0,0|1,0,1]=4 12914 B12R1.8 O=CCNCCc1ccccc1 34a_100000106460_200009817547 [0,2,0,0,0,0|1,0,1]=4 12915 B12R1.8 O=CCOCCc1ccccc1 34a_100000210268_200009817547 [0,2,0,0,0,0|1,0,0]=3 12916 B12R1.8 O=CCOCCc1ccccc1 7a_100000210268_200015260668 [0,2,0,0,0,0|1,0,0]=3 12917 B12R1.8 O=CCOCCc1ccccn1 34a_100000210271_200009817547 [0,2,0,0,0,0|2,0,0]=4 12918 B12R1.8 O=CCOCCc1cccnc1 34a_100011217484_200009817547 [0,2,0,0,0,0|2,0,0]=4 12919 B12R1.8 O=CCOCCc1ccncc1 34a_100011216225_200009817547 [0,2,0,0,0,0|2,0,0]=4 12920 B12R1.8 O=CCSCCc1ccccc1 62a_100000765856_200015260668 [0,2,0,0,0,0|1,0,1]=4 12921 B12R1.8 O=CCSCCc1ccccc1 62a_200015260668_100011218657 [0,2,0,0,0,0|1,0,1]=4 12922 B12R1.8 O=CCSCSc1ccccc1 62a_100011218342_200015260668 [0,2,0,0,0,0|0,1,1]=4 12923 B12R1.8 O=CCSCSc1ccccc1 62a_200015260668_100011218342 [0,2,0,0,0,0|0,1,1]=4 12924 B12R1.8 OCC#CCOc1ccccc1 34a_100000210340_200000047223 [0,2,0,0,0,0|0,0,2]=4 12925 B12R1.8 OCC#CCOc1ccccc1 7a_100000210340_200000047223 [0,2,0,0,0,0|0,0,2]=4 12926 B12R1.8 OCCCCOc1ccccc1 34a_100000210340_100011216708 [0,2,0,0,0,0|0,0,2]=4 12927 B12R1.8 OCCCCOc1ccccc1 7a_100000210340_100000210776 [0,2,0,0,0,0|0,0,2]=4 12928 B12R1.8 OCCCOCc1ccccc1 34a_100000210790_100000230001 [0,2,0,0,0,0|0,0,2]=4 12929 B12R1.8 OCCCOCc1ccccc1 7a_100000210790_100011215043 [0,2,0,0,0,0|0,0,2]=4 12930 B12R1.8 OCCOCCc1ccccc1 34a_100000210268_100000211926 [0,2,0,0,0,0|1,0,1]=4 12931 B12R1.8 OCCOCCc1ccccc1 7a_100000210268_100000211926 [0,2,0,0,0,0|1,0,1]=4 12932 B12R1.8 [13CH3]NCCCOc1ccccc1 2230a_100000216521_200025704644 [0,2,0,0,0,0|0,0,2]=4 12933 B12R1.8 [13CH3]NCCCOc1ccccc1 34a_100000216521_200025704644 [0,2,0,0,0,0|0,0,2]=4 12934 B12R1.8 [13CH3]NCCOCc1ccccc1 2230a_100000753106_200025704644 [0,2,0,0,0,0|0,0,2]=4 12935 B12R1.8 [13CH3]NCCOCc1ccccc1 34a_100000753106_200025704644 [0,2,0,0,0,0|0,0,2]=4 12936 B12R1.8 [13CH3]OCCCOc1ccccc1 34a_100011215863_200025704644 [0,2,0,0,0,0|0,0,2]=4 12937 B12R1.8 [13CH3]OCCCOc1ccccc1 7a_100011215863_200025704644 [0,2,0,0,0,0|0,0,2]=4 12938 B12R1.8 [13CH3]OCCOCc1ccccc1 34a_100000759325_200025704644 [0,2,0,0,0,0|0,0,2]=4 12939 B12R1.8 [13CH3]OCCOCc1ccccc1 7a_100000759325_200025704644 [0,2,0,0,0,0|0,0,2]=4 12940 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_100000199009_200025704644 [0,2,0,0,0,0|0,0,2]=4 12941 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_200025704644_100000199009 [0,2,0,0,0,0|0,0,2]=4 12942 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_100000234347_200025704644 [0,2,0,0,0,0|0,0,2]=4 12943 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_200025704644_100000234347 [0,2,0,0,0,0|0,0,2]=4 12944 B12R1.27 C#CC(=O)CCc1ccccc1 1458a_100000211873_100000765856 [0,2,0,0,0,0|1,0,1]=4 12945 B12R1.27 C#CC(C)OCc1ccccc1 34a_100000210790_200000035995 [0,2,0,0,0,0|0,0,2]=4 12946 B12R1.27 C#C[C@@H](C)OCc1ccccc1 34a_100009815206_100015291786 [0,2,0,0,0,0|0,0,2]=4 12947 B12R1.27 C#C[C@@H](C)OCc1ccccc1 7a_100009815206_100000211182 [0,2,0,0,0,0|0,0,2]=4 12948 B12R1.27 C=C(C#N)CNc1ccccc1 34a_100000106764_100000694840 [0,2,0,0,0,0|1,0,0]=3 12949 B12R1.27 C=C(C#N)COc1ccccc1 34a_100000210340_100000694840 [0,2,0,0,0,0|0,0,0]=2 12950 B12R1.27 C=C(C#N)COc1cccnc1 34a_100000210849_100000694840 [0,2,0,0,0,0|1,0,0]=3 12951 B12R1.27 C=C(C#N)COc1ccncc1 34a_100000212176_100000694840 [0,2,0,0,0,0|1,0,0]=3 12952 B12R1.27 C=C(C#N)COc1ccnnc1 34a_100015204005_100000694840 [0,2,0,0,0,0|2,0,0]=4 12953 B12R1.27 C=C(C#N)CSc1ccccc1 62a_100000719477_100000694840 [0,2,0,0,0,0|0,1,0]=3 12954 B12R1.27 C=C(C#N)CSc1ccccn1 62a_100011216584_100000694840 [0,2,0,0,0,0|1,1,0]=4 12955 B12R1.27 C=C(C#N)CSc1cccnc1 62a_100000210063_100000694840 [0,2,0,0,0,0|1,1,0]=4 12956 B12R1.27 C=C(C#N)CSc1ccncc1 62a_100000728582_100000694840 [0,2,0,0,0,0|1,1,0]=4 12957 B12R1.27 C=CC(=NNc1ccccc1)C 4a_100015195140_200015361842 [0,2,0,0,0,0|1,0,1]=4 12958 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [0,2,0,0,0,0|1,0,0]=3 12959 B12R1.27 C=CC(=O)CCc1ccccn1 1458a_100000185746_100015183660 [0,2,0,0,0,0|2,0,0]=4 12960 B12R1.27 C=CC(=O)CCc1cccnc1 1458a_100000185746_200011713674 [0,2,0,0,0,0|2,0,0]=4 12961 B12R1.27 C=CC(=O)CCc1ccncc1 1458a_100000185746_100000723409 [0,2,0,0,0,0|2,0,0]=4 12962 B12R1.27 C=CC(=O)NCc1ccccc1 1626a_100015324214_100000185746 [0,2,0,0,0,0|1,0,1]=4 12963 B12R1.27 C=CC(=O)NCc1ccccc1 240690a_100015324214_200121576911 [0,2,0,0,0,0|1,0,1]=4 12964 B12R1.27 C=CC(=O)NNc1ccccc1 22a_100015195140_100000185746 [0,2,0,0,0,0|1,0,1]=4 12965 B12R1.27 C=CC(C)OCc1ccccc1 34a_100000695699_100015291786 [0,2,0,0,0,0|0,0,0]=2 12966 B12R1.27 C=CC(C)OCc1ccccn1 34a_100000695699_100000721315 [0,2,0,0,0,0|1,0,0]=3 12967 B12R1.27 C=CC(C)OCc1cccnc1 34a_100000695699_100000733263 [0,2,0,0,0,0|1,0,0]=3 12968 B12R1.27 C=CC(C)OCc1cccnn1 34a_100000695699_100016990269 [0,2,0,0,0,0|2,0,0]=4 12969 B12R1.27 C=CC(C)OCc1cnccn1 34a_100000695699_100016995436 [0,2,0,0,0,0|2,0,0]=4 12970 B12R1.27 C=CC(C)OCc1cncnc1 34a_100000695699_100015196519 [0,2,0,0,0,0|2,0,0]=4 12971 B12R1.27 C=CC(C)OCc1ncccn1 34a_100000695699_100000703007 [0,2,0,0,0,0|2,0,0]=4 12972 B12R1.27 C=CC(C)SCc1ccccc1 62a_100011215867_100015291786 [0,2,0,0,0,0|0,1,0]=3 12973 B12R1.27 C=CC(C)SCc1ccccn1 62a_100011215867_100000721315 [0,2,0,0,0,0|1,1,0]=4 12974 B12R1.27 C=CC(C)SCc1cccnc1 62a_100011215867_100000741622 [0,2,0,0,0,0|1,1,0]=4 12975 B12R1.27 C=CC(C)SCc1ccncc1 62a_100011215867_100015193705 [0,2,0,0,0,0|1,1,0]=4 12976 B12R1.27 C=CC(O)CNc1ccccc1 34a_100000106764_100000730141 [0,2,0,0,0,0|1,0,0]=3 12977 B12R1.27 C=CC(O)COc1ccccc1 34a_100000210340_100000730141 [0,2,0,0,0,0|0,0,0]=2 12978 B12R1.27 C=CC(O)COc1ccccc1 7a_100000210340_100000730141 [0,2,0,0,0,0|0,0,0]=2 12979 B12R1.27 C=CC(O)COc1cccnc1 34a_100000210849_100000730141 [0,2,0,0,0,0|1,0,0]=3 12980 B12R1.27 C=CC(O)COc1cccnc1 7a_100000210849_100000730141 [0,2,0,0,0,0|1,0,0]=3 12981 B12R1.27 C=CC(O)COc1ccncc1 34a_100000212176_100000730141 [0,2,0,0,0,0|1,0,0]=3 12982 B12R1.27 C=CC(O)COc1ccnnc1 34a_100015204005_100000730141 [0,2,0,0,0,0|2,0,0]=4 12983 B12R1.27 C=CC(O)COc1cncnc1 7a_100000754086_100000730141 [0,2,0,0,0,0|2,0,0]=4 12984 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000719477_100000730141 [0,2,0,0,0,0|0,1,0]=3 12985 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000730141_100000041952 [0,2,0,0,0,0|0,1,0]=3 12986 B12R1.27 C=CC(O)CSc1ccccn1 62a_100000730141_100011216584 [0,2,0,0,0,0|1,1,0]=4 12987 B12R1.27 C=CC(O)CSc1ccccn1 62a_100011216584_100000730141 [0,2,0,0,0,0|1,1,0]=4 12988 B12R1.27 C=CC(O)CSc1cccnc1 62a_100000210063_100000730141 [0,2,0,0,0,0|1,1,0]=4 12989 B12R1.27 C=CC(O)CSc1cccnc1 62a_100000730141_100000210063 [0,2,0,0,0,0|1,1,0]=4 12990 B12R1.27 C=CC(O)CSc1ccncc1 62a_100000728582_100000730141 [0,2,0,0,0,0|1,1,0]=4 12991 B12R1.27 C=CC(O)CSc1ccncc1 62a_100000730141_100000728582 [0,2,0,0,0,0|1,1,0]=4 12992 B12R1.27 CC(C#N)OCc1ccccc1 34a_100011218135_100015291786 [0,2,0,0,0,0|1,0,1]=4 12993 B12R1.27 CC(C#N)OCc1ccccc1 7a_100000210790_100000703298 [0,2,0,0,0,0|1,0,1]=4 12994 B12R1.27 CC(CF)OCc1ccccc1 34a_100016041109_100015291786 [0,2,0,0,0,0|1,0,1]=4 12995 B12R1.27 CC(CF)OCc1ccccc1 7a_100016041109_100000211182 [0,2,0,0,0,0|1,0,1]=4 12996 B12R1.27 CC(CN)OCc1ccccc1 34a_100000210904_100015291786 [0,2,0,0,0,0|1,0,1]=4 12997 B12R1.27 CC(CO)OCc1ccccc1 34a_100000210790_100012180447 [0,2,0,0,0,0|1,0,1]=4 12998 B12R1.27 CC(CO)OCc1ccccc1 7a_100000210790_100012180447 [0,2,0,0,0,0|1,0,1]=4 12999 B12R1.27 CC(COc1ccccc1)N[13CH3] 2230a_100000746794_200025704644 [0,2,0,0,0,0|0,0,2]=4 13000 B12R1.27 CC(COc1ccccc1)N[13CH3] 34a_100000746794_200025704644 [0,2,0,0,0,0|0,0,2]=4 13001 B12R1.27 CC(COc1ccccc1)O[13CH3] 34a_100000210911_200025704644 [0,2,0,0,0,0|0,0,2]=4 13002 B12R1.27 CC(COc1ccccc1)O[13CH3] 7a_100000210911_200025704644 [0,2,0,0,0,0|0,0,2]=4 13003 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,2,0,0,0,0|1,0,1]=4 13004 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,2,0,0,0,0|1,0,1]=4 13005 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,2,0,0,0,0|0,0,1]=3 13006 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,2,0,0,0,0|0,0,1]=3 13007 B12R1.27 CCC(=O)COc1ccccn1 1458a_100102699861_100000210202 [0,2,0,0,0,0|1,0,1]=4 13008 B12R1.27 CCC(=O)COc1cccnc1 1458a_100015207166_100000210202 [0,2,0,0,0,0|1,0,1]=4 13009 B12R1.27 CCC(=O)COc1cccnc1 7a_100000210849_100000747405 [0,2,0,0,0,0|1,0,1]=4 13010 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [0,2,0,0,0,0|0,1,1]=4 13011 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [0,2,0,0,0,0|0,1,1]=4 13012 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [0,2,0,0,0,0|0,1,1]=4 13013 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [0,2,0,0,0,0|0,0,2]=4 13014 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [0,2,0,0,0,0|0,0,2]=4 13015 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [0,2,0,0,0,0|0,0,2]=4 13016 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [0,2,0,0,0,0|0,0,2]=4 13017 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [0,2,0,0,0,0|0,0,2]=4 13018 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [0,2,0,0,0,0|0,0,2]=4 13019 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [0,2,0,0,0,0|0,0,2]=4 13020 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [0,2,0,0,0,0|0,0,2]=4 13021 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [0,2,0,0,0,0|0,0,2]=4 13022 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,2,0,0,0,0|1,0,1]=4 13023 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,2,0,0,0,0|1,0,1]=4 13024 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,2,0,0,0,0|1,0,1]=4 13025 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,2,0,0,0,0|1,0,1]=4 13026 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [0,2,0,0,0,0|1,0,1]=4 13027 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [0,2,0,0,0,0|0,0,1]=3 13028 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [0,2,0,0,0,0|0,0,1]=3 13029 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [0,2,0,0,0,0|0,0,1]=3 13030 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [0,2,0,0,0,0|0,0,1]=3 13031 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [0,2,0,0,0,0|0,0,1]=3 13032 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [0,2,0,0,0,0|0,0,1]=3 13033 B12R1.27 CNC(=O)COc1ccccn1 1626a_100102657272_100102699861 [0,2,0,0,0,0|1,0,1]=4 13034 B12R1.27 CNC(=O)COc1ccccn1 240690a_100102657272_100102699861 [0,2,0,0,0,0|1,0,1]=4 13035 B12R1.27 CNC(=O)COc1ccccn1 527a_100102657272_100102699861 [0,2,0,0,0,0|1,0,1]=4 13036 B12R1.27 CNC(=O)COc1cccnc1 11a_106832991635_100015207166 [0,2,0,0,0,0|1,0,1]=4 13037 B12R1.27 CNC(=O)COc1cccnc1 1626a_100102657272_100015207166 [0,2,0,0,0,0|1,0,1]=4 13038 B12R1.27 CNC(=O)COc1cccnc1 240690a_100102657272_100015207166 [0,2,0,0,0,0|1,0,1]=4 13039 B12R1.27 CNC(=O)COc1cccnc1 34a_100000210849_100000183359 [0,2,0,0,0,0|1,0,1]=4 13040 B12R1.27 CNC(=O)COc1cccnc1 527a_100102657272_100015207166 [0,2,0,0,0,0|1,0,1]=4 13041 B12R1.27 CNC(=O)COc1cccnc1 7a_100000210849_100000183359 [0,2,0,0,0,0|1,0,1]=4 13042 B12R1.27 CNC(=O)COc1ccncc1 34a_100000212176_100000183359 [0,2,0,0,0,0|1,0,1]=4 13043 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [0,2,0,0,0,0|0,1,1]=4 13044 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [0,2,0,0,0,0|0,1,1]=4 13045 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [0,2,0,0,0,0|0,1,1]=4 13046 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [0,2,0,0,0,0|0,1,1]=4 13047 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [0,2,0,0,0,0|0,1,1]=4 13048 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [0,2,0,0,0,0|0,1,1]=4 13049 B12R1.27 CNC(C)COc1ccccc1 2230a_100000746794_200000210301 [0,2,0,0,0,0|0,0,2]=4 13050 B12R1.27 CNC(C)COc1ccccc1 270004a_106832991635_100000150576 [0,2,0,0,0,0|0,0,2]=4 13051 B12R1.27 CNC(C)COc1ccccc1 34a_100000746794_200000210301 [0,2,0,0,0,0|0,0,2]=4 13052 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,2,0,0,0,0|1,0,1]=4 13053 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [0,2,0,0,0,0|0,0,1]=3 13054 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [0,2,0,0,0,0|0,0,1]=3 13055 B12R1.27 COC(=O)COc1cccnc1 34a_100000210849_100000747449 [0,2,0,0,0,0|1,0,1]=4 13056 B12R1.27 COC(=O)COc1cccnc1 7a_100000210849_100000747449 [0,2,0,0,0,0|1,0,1]=4 13057 B12R1.27 COC(=O)COc1ccncc1 34a_100000212176_100000747449 [0,2,0,0,0,0|1,0,1]=4 13058 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [0,2,0,0,0,0|0,1,1]=4 13059 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [0,2,0,0,0,0|0,1,1]=4 13060 B12R1.27 COC(C)COc1ccccc1 34a_100000210911_200000210301 [0,2,0,0,0,0|0,0,2]=4 13061 B12R1.27 COC(C)COc1ccccc1 7a_100000210911_200000210301 [0,2,0,0,0,0|0,0,2]=4 13062 B12R1.27 C[C@@H](CO)COc1ccccc1 34a_100000210340_100000059175 [0,2,0,0,0,0|0,0,2]=4 13063 B12R1.27 C[C@@H](CO)COc1ccccc1 7a_100000210340_100000059175 [0,2,0,0,0,0|0,0,2]=4 13064 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,2,0,0,0,0|1,0,1]=4 13065 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [0,2,0,0,0,0|0,0,1]=3 13066 B12R1.27 O=C(CF)COc1ccccn1 1458a_100102699861_100015361967 [0,2,0,0,0,0|1,0,1]=4 13067 B12R1.27 O=C(CF)COc1cccnc1 1458a_100015207166_100015361967 [0,2,0,0,0,0|1,0,1]=4 13068 B12R1.27 O=C(CF)CSc1ccccc1 1458a_100000211596_100015361967 [0,2,0,0,0,0|0,1,1]=4 13069 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,2,0,0,0,0|1,0,1]=4 13070 B12R1.27 OCC(O)COc1ccccc1 34a_100000210340_100011219619 [0,2,0,0,0,0|0,0,2]=4 13071 B12R1.27 OCC(O)COc1ccccc1 7a_100000210340_100011219619 [0,2,0,0,0,0|0,0,2]=4 13072 B12R1.27 OC[C@H](O)COc1ccccc1 34a_100000210340_100009815848 [0,2,0,0,0,0|0,0,2]=4 13073 B12R1.27 OC[C@H](O)COc1ccccc1 7a_100000210340_100009815848 [0,2,0,0,0,0|0,0,2]=4 13074 B12R1.27 O[C@@H](CF)COc1ccccc1 34a_100000210340_100015614560 [0,2,0,0,0,0|0,0,2]=4 13075 B12R1.27 O[C@@H](CF)COc1ccccc1 7a_100000210340_100015614560 [0,2,0,0,0,0|0,0,2]=4 13076 B12R1.32 C=CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210623 [0,2,0,0,0,0|2,0,0]=4 13077 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [0,2,0,0,0,0|1,0,0]=3 13078 B12R1.32 C=CCC(=O)Cc1ccccn1 1458a_100000210193_100000721315 [0,2,0,0,0,0|2,0,0]=4 13079 B12R1.32 C=CCC(=O)Cc1ccccn1 1458a_100000233486_100000210623 [0,2,0,0,0,0|2,0,0]=4 13080 B12R1.32 C=CCC(=O)Cc1cccnc1 1458a_100000210193_100000733263 [0,2,0,0,0,0|2,0,0]=4 13081 B12R1.32 C=CCC(=O)Cc1cccnc1 1458a_100000737805_100000210623 [0,2,0,0,0,0|2,0,0]=4 13082 B12R1.32 C=CCC(=O)Cc1ccncc1 1458a_100000210193_100000705612 [0,2,0,0,0,0|2,0,0]=4 13083 B12R1.32 C=CCC(=O)Nc1ccccc1 11a_100000106764_100000210193 [0,2,0,0,0,0|1,0,0]=3 13084 B12R1.32 C=CCC(=O)Nc1ccccc1 1626a_100000106764_100000210193 [0,2,0,0,0,0|1,0,0]=3 13085 B12R1.32 C=CCC(=O)Nc1ccccc1 22a_100000106764_100000210193 [0,2,0,0,0,0|1,0,0]=3 13086 B12R1.32 C=CCC(=O)Nc1ccccc1 527a_100000106764_100000210193 [0,2,0,0,0,0|1,0,0]=3 13087 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000186898_100000210623 [0,2,0,0,0,0|1,0,0]=3 13088 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000196212_200000210301 [0,2,0,0,0,0|1,0,0]=3 13089 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000225617_100015291786 [0,2,0,0,0,0|1,0,0]=3 13090 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000186898_100000210623 [0,2,0,0,0,0|1,0,0]=3 13091 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000196212_200000210301 [0,2,0,0,0,0|1,0,0]=3 13092 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000225617_100000211182 [0,2,0,0,0,0|1,0,0]=3 13093 B12R1.32 C=CCN(C)Cc1ccccc1 270004a_100000225617_100015611070 [0,2,0,0,0,0|1,0,0]=3 13094 B12R1.32 C=CCN(C)Cc1ccccn1 2230a_100000207498_100000210623 [0,2,0,0,0,0|2,0,0]=4 13095 B12R1.32 C=CCN(C)Cc1ccccn1 2230a_100000225617_100000721315 [0,2,0,0,0,0|2,0,0]=4 13096 B12R1.32 C=CCN(C)Cc1ccccn1 269982a_100000207498_100000210623 [0,2,0,0,0,0|2,0,0]=4 13097 B12R1.32 C=CCN(C)Cc1ccccn1 269982a_100000225617_100000721315 [0,2,0,0,0,0|2,0,0]=4 13098 B12R1.32 C=CCN(C)Cc1ccccn1 270004a_100000225617_100000209966 [0,2,0,0,0,0|2,0,0]=4 13099 B12R1.32 C=CCN(C)Cc1cccnc1 2230a_100000184577_100000210623 [0,2,0,0,0,0|2,0,0]=4 13100 B12R1.32 C=CCN(C)Cc1cccnc1 2230a_100000201331_200000210301 [0,2,0,0,0,0|2,0,0]=4 13101 B12R1.32 C=CCN(C)Cc1cccnc1 2230a_100000225617_100000741622 [0,2,0,0,0,0|2,0,0]=4 13102 B12R1.32 C=CCN(C)Cc1cccnc1 269982a_100000184577_100000210623 [0,2,0,0,0,0|2,0,0]=4 13103 B12R1.32 C=CCN(C)Cc1cccnc1 269982a_100000201331_200000210301 [0,2,0,0,0,0|2,0,0]=4 13104 B12R1.32 C=CCN(C)Cc1cccnc1 269982a_100000225617_100000733263 [0,2,0,0,0,0|2,0,0]=4 13105 B12R1.32 C=CCN(C)Cc1cccnc1 270004a_100000225617_100000209961 [0,2,0,0,0,0|2,0,0]=4 13106 B12R1.32 C=CCN(C)Cc1ccncc1 2230a_100000187231_100000210623 [0,2,0,0,0,0|2,0,0]=4 13107 B12R1.32 C=CCN(C)Cc1ccncc1 2230a_100000201359_200000210301 [0,2,0,0,0,0|2,0,0]=4 13108 B12R1.32 C=CCN(C)Cc1ccncc1 2230a_100000225617_100015193705 [0,2,0,0,0,0|2,0,0]=4 13109 B12R1.32 C=CCN(C)Cc1ccncc1 269982a_100000187231_100000210623 [0,2,0,0,0,0|2,0,0]=4 13110 B12R1.32 C=CCN(C)Cc1ccncc1 269982a_100000201359_200000210301 [0,2,0,0,0,0|2,0,0]=4 13111 B12R1.32 C=CCN(C)Cc1ccncc1 269982a_100000225617_100015193705 [0,2,0,0,0,0|2,0,0]=4 13112 B12R1.32 C=CCN([13CH3])Cc1ccccc1 2230a_100000196212_200025704644 [0,2,0,0,0,0|1,0,0]=3 13113 B12R1.32 C=CCN([13CH3])Cc1ccccc1 269982a_100000196212_200025704644 [0,2,0,0,0,0|1,0,0]=3 13114 B12R1.32 C=CCN([13CH3])Cc1cccnc1 2230a_100000201331_200025704644 [0,2,0,0,0,0|2,0,0]=4 13115 B12R1.32 C=CCN([13CH3])Cc1cccnc1 269982a_100000201331_200025704644 [0,2,0,0,0,0|2,0,0]=4 13116 B12R1.32 C=CCN([13CH3])Cc1ccncc1 2230a_100000201359_200025704644 [0,2,0,0,0,0|2,0,0]=4 13117 B12R1.32 C=CCN([13CH3])Cc1ccncc1 269982a_100000201359_200025704644 [0,2,0,0,0,0|2,0,0]=4 13118 B12R1.32 CC(CC#N)Oc1ccccc1 7a_100000210340_100009813641 [0,2,0,0,0,0|0,0,2]=4 13119 B12R1.32 CC(CCO)Oc1ccccc1 34a_100000210340_100009893172 [0,2,0,0,0,0|0,0,2]=4 13120 B12R1.32 CC(CCO)Oc1ccccc1 7a_100000210340_100009893172 [0,2,0,0,0,0|0,0,2]=4 13121 B12R1.32 CC(CN[13CH3])Oc1ccccc1 2230a_100000755676_200025704644 [0,2,0,0,0,0|0,0,2]=4 13122 B12R1.32 CC(CN[13CH3])Oc1ccccc1 34a_100000755676_200025704644 [0,2,0,0,0,0|0,0,2]=4 13123 B12R1.32 CC(CO[13CH3])Oc1ccccc1 34a_200000036796_200025704644 [0,2,0,0,0,0|0,0,2]=4 13124 B12R1.32 CC(CO[13CH3])Oc1ccccc1 7a_200000036796_200025704644 [0,2,0,0,0,0|0,0,2]=4 13125 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [0,2,0,0,0,0|1,0,1]=4 13126 B12R1.32 CC=CC(=O)Nc1ccccc1 11a_100000106764_100000210699 [0,2,0,0,0,0|1,0,1]=4 13127 B12R1.32 CC=CC(=O)Nc1ccccc1 1626a_100000106764_100000210699 [0,2,0,0,0,0|1,0,1]=4 13128 B12R1.32 CC=CC(=O)Nc1ccccc1 22a_100000106764_100000210699 [0,2,0,0,0,0|1,0,1]=4 13129 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [0,2,0,0,0,0|0,0,2]=4 13130 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [0,2,0,0,0,0|0,0,2]=4 13131 B12R1.32 CN(CC=O)Cc1ccccc1 2230a_100000186898_200015260668 [0,2,0,0,0,0|2,0,0]=4 13132 B12R1.32 CN(CC=O)Cc1ccccc1 269982a_100000186898_200015260668 [0,2,0,0,0,0|2,0,0]=4 13133 B12R1.32 CNCC(=O)Oc1ccccc1 2230a_106832991635_100009813826 [0,2,0,0,0,0|1,0,1]=4 13134 B12R1.32 CNCC(=O)Oc1ccccc1 34a_100102657272_100009813826 [0,2,0,0,0,0|1,0,1]=4 13135 B12R1.32 CNCC(=O)Oc1ccccc1 7a_106832991635_100009813826 [0,2,0,0,0,0|1,0,1]=4 13136 B12R1.32 CNCC(C)Oc1ccccc1 2230a_100000755676_200000210301 [0,2,0,0,0,0|0,0,2]=4 13137 B12R1.32 CNCC(C)Oc1ccccc1 34a_100000755676_200000210301 [0,2,0,0,0,0|0,0,2]=4 13138 B12R1.32 COCC(=O)Oc1ccccc1 34a_100138415774_100009813826 [0,2,0,0,0,0|1,0,1]=4 13139 B12R1.32 COCC(C)Oc1ccccc1 34a_100000210340_100000765312 [0,2,0,0,0,0|0,0,2]=4 13140 B12R1.32 COCC(C)Oc1ccccc1 34a_200000036796_200000210301 [0,2,0,0,0,0|0,0,2]=4 13141 B12R1.32 COCC(C)Oc1ccccc1 7a_100000210340_100000765312 [0,2,0,0,0,0|0,0,2]=4 13142 B12R1.32 COCC(C)Oc1ccccc1 7a_200000036796_200000210301 [0,2,0,0,0,0|0,0,2]=4 13143 B12R1.32 CSCC(=O)Oc1ccccc1 62a_100009813826_200000210301 [0,2,0,0,0,0|1,0,1]=4 13144 B12R1.32 CSCC(=O)Oc1ccccc1 62a_200000210301_100009813826 [0,2,0,0,0,0|1,0,1]=4 13145 B12R1.32 O=C(C=CBr)Cc1ccccc1 1458a_100016273825_100015291786 [0,2,0,0,0,0|1,0,1]=4 13146 B12R1.32 O=C(C=CBr)Nc1ccccc1 1626a_100000106764_100016273825 [0,2,0,0,0,0|1,0,1]=4 13147 B12R1.32 O=C(C=CCl)Cc1ccccc1 1458a_200016279998_100015291786 [0,2,0,0,0,0|1,0,1]=4 13148 B12R1.32 O=C(C=CCl)Nc1ccccc1 11a_100000106764_200016279998 [0,2,0,0,0,0|1,0,1]=4 13149 B12R1.32 O=C(C=CCl)Nc1ccccc1 1626a_100000106764_200016279998 [0,2,0,0,0,0|1,0,1]=4 13150 B12R1.32 O=C(C=CI)Cc1ccccc1 1458a_100016256311_100015291786 [0,2,0,0,0,0|1,0,1]=4 13151 B12R1.32 O=C(C=CI)Nc1ccccc1 1626a_100000106764_100016256311 [0,2,0,0,0,0|1,0,1]=4 13152 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_100009813826_200025704644 [0,2,0,0,0,0|1,0,1]=4 13153 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_200025704644_100009813826 [0,2,0,0,0,0|1,0,1]=4 13154 B12R1.252 C=C(C)C=NNc1ccccc1 4a_100015195140_100000210575 [0,2,0,0,0,0|1,0,1]=4 13155 B12R1.252 C=C(C)CCNc1ccccc1 34a_100000106764_100000730704 [0,2,0,0,0,0|1,0,0]=3 13156 B12R1.252 C=C(C)CCOc1ccccc1 34a_100000210340_100000730704 [0,2,0,0,0,0|0,0,0]=2 13157 B12R1.252 C=C(C)CCOc1ccccc1 7a_100000210340_100000730704 [0,2,0,0,0,0|0,0,0]=2 13158 B12R1.252 C=C(C)CCOc1cccnc1 34a_100000210849_100000730704 [0,2,0,0,0,0|1,0,0]=3 13159 B12R1.252 C=C(C)CCOc1cccnc1 7a_100000210849_100000730704 [0,2,0,0,0,0|1,0,0]=3 13160 B12R1.252 C=C(C)CCOc1ccncc1 34a_100000212176_100000730704 [0,2,0,0,0,0|1,0,0]=3 13161 B12R1.252 C=C(C)CCOc1ccnnc1 34a_100015204005_100000730704 [0,2,0,0,0,0|2,0,0]=4 13162 B12R1.252 C=C(C)CCOc1cncnc1 7a_100000754086_100000730704 [0,2,0,0,0,0|2,0,0]=4 13163 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000719477_100000730704 [0,2,0,0,0,0|0,1,0]=3 13164 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000730704_100000041952 [0,2,0,0,0,0|0,1,0]=3 13165 B12R1.252 C=C(C)CCSc1ccccn1 62a_100000730704_100011216584 [0,2,0,0,0,0|1,1,0]=4 13166 B12R1.252 C=C(C)CCSc1ccccn1 62a_100011216584_100000730704 [0,2,0,0,0,0|1,1,0]=4 13167 B12R1.252 C=C(C)CCSc1cccnc1 62a_100000210063_100000730704 [0,2,0,0,0,0|1,1,0]=4 13168 B12R1.252 C=C(C)CCSc1cccnc1 62a_100000730704_100000210063 [0,2,0,0,0,0|1,1,0]=4 13169 B12R1.252 C=C(C)CCSc1ccncc1 62a_100000728582_100000730704 [0,2,0,0,0,0|1,1,0]=4 13170 B12R1.252 C=C(C)CCSc1ccncc1 62a_100000730704_100000728582 [0,2,0,0,0,0|1,1,0]=4 13171 B12R1.252 C=C(C)CNCc1ccccc1 2230a_100015324214_100000748629 [0,2,0,0,0,0|1,0,0]=3 13172 B12R1.252 C=C(C)CNCc1ccccc1 34a_100015324214_100000748629 [0,2,0,0,0,0|1,0,0]=3 13173 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210245_100015291786 [0,2,0,0,0,0|0,0,0]=2 13174 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210790_100000748629 [0,2,0,0,0,0|0,0,0]=2 13175 B12R1.252 C=C(C)COCc1ccccc1 7a_100000210790_100000748629 [0,2,0,0,0,0|0,0,0]=2 13176 B12R1.252 C=C(C)COCc1ccccn1 34a_100000210245_100000721315 [0,2,0,0,0,0|1,0,0]=3 13177 B12R1.252 C=C(C)COCc1cccnc1 34a_100000210245_100000733263 [0,2,0,0,0,0|1,0,0]=3 13178 B12R1.252 C=C(C)COCc1cccnn1 34a_100000210245_100016990269 [0,2,0,0,0,0|2,0,0]=4 13179 B12R1.252 C=C(C)COCc1cnccn1 34a_100000210245_100016995436 [0,2,0,0,0,0|2,0,0]=4 13180 B12R1.252 C=C(C)COCc1cncnc1 34a_100000210245_100015196519 [0,2,0,0,0,0|2,0,0]=4 13181 B12R1.252 C=C(C)COCc1ncccn1 34a_100000210245_100000703007 [0,2,0,0,0,0|2,0,0]=4 13182 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000211182_100000211660 [0,2,0,0,0,0|0,1,0]=3 13183 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000748629_100015291786 [0,2,0,0,0,0|0,1,0]=3 13184 B12R1.252 C=C(C)CSCc1ccccn1 62a_100000721315_100000211660 [0,2,0,0,0,0|1,1,0]=4 13185 B12R1.252 C=C(C)CSCc1ccccn1 62a_100000748629_100000721315 [0,2,0,0,0,0|1,1,0]=4 13186 B12R1.252 C=C(C)CSCc1cccnc1 62a_100000741622_100000211660 [0,2,0,0,0,0|1,1,0]=4 13187 B12R1.252 C=C(C)CSCc1cccnc1 62a_100000748629_100000741622 [0,2,0,0,0,0|1,1,0]=4 13188 B12R1.252 C=C(C)CSCc1ccncc1 62a_100000748629_100015193705 [0,2,0,0,0,0|1,1,0]=4 13189 B12R1.252 C=C(C)CSCc1ccncc1 62a_100015193705_100000211660 [0,2,0,0,0,0|1,1,0]=4 13190 B12R1.252 C=C(F)CNCc1ccccc1 2230a_100015324214_100009893438 [0,2,0,0,0,0|1,0,0]=3 13191 B12R1.252 C=C(F)CNCc1ccccc1 34a_100015324214_100009893438 [0,2,0,0,0,0|1,0,0]=3 13192 B12R1.252 C=C(F)COCc1ccccc1 34a_100000210790_100009893438 [0,2,0,0,0,0|0,0,0]=2 13193 B12R1.252 C=C(F)COCc1ccccc1 34a_200010262243_100015291786 [0,2,0,0,0,0|0,0,0]=2 13194 B12R1.252 C=C(F)COCc1ccccc1 7a_100000210790_100000042424 [0,2,0,0,0,0|0,0,0]=2 13195 B12R1.252 C=C(F)COCc1ccccn1 34a_200010262243_100000721315 [0,2,0,0,0,0|1,0,0]=3 13196 B12R1.252 C=C(F)COCc1cccnc1 34a_200010262243_100000733263 [0,2,0,0,0,0|1,0,0]=3 13197 B12R1.252 C=C(F)COCc1cccnn1 34a_200010262243_100016990269 [0,2,0,0,0,0|2,0,0]=4 13198 B12R1.252 C=C(F)COCc1cnccn1 34a_200010262243_100016995436 [0,2,0,0,0,0|2,0,0]=4 13199 B12R1.252 C=C(F)COCc1cncnc1 34a_200010262243_100015196519 [0,2,0,0,0,0|2,0,0]=4 13200 B12R1.252 C=C(F)COCc1ncccn1 34a_200010262243_100000703007 [0,2,0,0,0,0|2,0,0]=4 13201 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000042424_100015291786 [0,2,0,0,0,0|0,1,0]=3 13202 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000211182_100000042424 [0,2,0,0,0,0|0,1,0]=3 13203 B12R1.252 C=C(F)CSCc1ccccn1 62a_100000042424_100000721315 [0,2,0,0,0,0|1,1,0]=4 13204 B12R1.252 C=C(F)CSCc1ccccn1 62a_100000721315_100000042424 [0,2,0,0,0,0|1,1,0]=4 13205 B12R1.252 C=C(F)CSCc1cccnc1 62a_100000042424_100000741622 [0,2,0,0,0,0|1,1,0]=4 13206 B12R1.252 C=C(F)CSCc1cccnc1 62a_100000741622_100000042424 [0,2,0,0,0,0|1,1,0]=4 13207 B12R1.252 C=C(F)CSCc1ccncc1 62a_100000042424_100015193705 [0,2,0,0,0,0|1,1,0]=4 13208 B12R1.252 C=C(F)CSCc1ccncc1 62a_100015193705_100000042424 [0,2,0,0,0,0|1,1,0]=4 13209 B12R1.252 CC(=CCNc1ccccc1)C 34a_100000106764_100000761012 [0,2,0,0,0,0|1,0,0]=3 13210 B12R1.252 CC(=CCOc1ccccc1)C 34a_100000210340_100000761012 [0,2,0,0,0,0|0,0,0]=2 13211 B12R1.252 CC(=CCOc1ccccc1)C 7a_100000210340_100000761012 [0,2,0,0,0,0|0,0,0]=2 13212 B12R1.252 CC(=CCOc1cccnc1)C 34a_100000210849_100000761012 [0,2,0,0,0,0|1,0,0]=3 13213 B12R1.252 CC(=CCOc1cccnc1)C 7a_100000210849_100000761012 [0,2,0,0,0,0|1,0,0]=3 13214 B12R1.252 CC(=CCOc1ccncc1)C 34a_100000212176_100000761012 [0,2,0,0,0,0|1,0,0]=3 13215 B12R1.252 CC(=CCOc1ccnnc1)C 34a_100015204005_100000761012 [0,2,0,0,0,0|2,0,0]=4 13216 B12R1.252 CC(=CCOc1cncnc1)C 7a_100000754086_100000761012 [0,2,0,0,0,0|2,0,0]=4 13217 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000719477_100000761012 [0,2,0,0,0,0|0,1,0]=3 13218 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000761012_100000041952 [0,2,0,0,0,0|0,1,0]=3 13219 B12R1.252 CC(=CCSc1ccccn1)C 62a_100000761012_100011216584 [0,2,0,0,0,0|1,1,0]=4 13220 B12R1.252 CC(=CCSc1ccccn1)C 62a_100011216584_100000761012 [0,2,0,0,0,0|1,1,0]=4 13221 B12R1.252 CC(=CCSc1cccnc1)C 62a_100000210063_100000761012 [0,2,0,0,0,0|1,1,0]=4 13222 B12R1.252 CC(=CCSc1cccnc1)C 62a_100000761012_100000210063 [0,2,0,0,0,0|1,1,0]=4 13223 B12R1.252 CC(=CCSc1ccncc1)C 62a_100000728582_100000761012 [0,2,0,0,0,0|1,1,0]=4 13224 B12R1.252 CC(=CCSc1ccncc1)C 62a_100000761012_100000728582 [0,2,0,0,0,0|1,1,0]=4 13225 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [0,2,0,0,0,0|1,0,1]=4 13226 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [0,2,0,0,0,0|1,0,1]=4 13227 B12R1.252 CC(=O)C=CSc1ccccc1 1458a_100016262050_200000210301 [0,2,0,0,0,0|0,1,1]=4 13228 B12R1.252 CC(=O)CC#Cc1ccccc1 1458a_100000070787_100011352542 [0,2,0,0,0,0|1,0,1]=4 13229 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,2,0,0,0,0|1,0,1]=4 13230 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,2,0,0,0,0|1,0,1]=4 13231 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [0,2,0,0,0,0|0,0,1]=3 13232 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [0,2,0,0,0,0|0,0,1]=3 13233 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [0,2,0,0,0,0|0,0,1]=3 13234 B12R1.252 CC(=O)CCOc1cccnc1 7a_100000210849_100000053229 [0,2,0,0,0,0|1,0,1]=4 13235 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [0,2,0,0,0,0|0,1,1]=4 13236 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [0,2,0,0,0,0|0,1,1]=4 13237 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [0,2,0,0,0,0|0,1,1]=4 13238 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [0,2,0,0,0,0|0,1,1]=4 13239 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [0,2,0,0,0,0|0,0,1]=3 13240 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [0,2,0,0,0,0|0,0,1]=3 13241 B12R1.252 CC(=O)COCc1ccccn1 34a_100000211253_100000721315 [0,2,0,0,0,0|1,0,1]=4 13242 B12R1.252 CC(=O)COCc1cccnc1 34a_100000211253_100000733263 [0,2,0,0,0,0|1,0,1]=4 13243 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [0,2,0,0,0,0|0,1,1]=4 13244 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [0,2,0,0,0,0|0,1,1]=4 13245 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [0,2,0,0,0,0|1,0,1]=4 13246 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [0,2,0,0,0,0|1,0,1]=4 13247 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [0,2,0,0,0,0|1,0,1]=4 13248 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [0,2,0,0,0,0|1,0,1]=4 13249 B12R1.252 CC(=O)OCNc1ccccc1 34a_100000106764_100009813279 [0,2,0,0,0,0|1,0,1]=4 13250 B12R1.252 CC(=O)OCOc1ccccc1 34a_100000210340_100009813279 [0,2,0,0,0,0|0,0,1]=3 13251 B12R1.252 CC(=O)OCOc1cccnc1 34a_100000210849_100009813279 [0,2,0,0,0,0|1,0,1]=4 13252 B12R1.252 CC(=O)OCOc1ccncc1 34a_100000212176_100009813279 [0,2,0,0,0,0|1,0,1]=4 13253 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000076356_100000041952 [0,2,0,0,0,0|0,1,1]=4 13254 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000719477_100000076356 [0,2,0,0,0,0|0,1,1]=4 13255 B12R1.252 CC(Br)COCc1ccccc1 34a_100012180447_100015291786 [0,2,0,0,0,0|0,0,2]=4 13256 B12R1.252 CC(C)CCOc1ccccc1 34a_100000210340_100000210312 [0,2,0,0,0,0|0,0,2]=4 13257 B12R1.252 CC(C)CCOc1ccccc1 7a_100000210340_100000210626 [0,2,0,0,0,0|0,0,2]=4 13258 B12R1.252 CC(C)COCc1ccccc1 34a_100000210257_100015291786 [0,2,0,0,0,0|0,0,2]=4 13259 B12R1.252 CC(C)COCc1ccccc1 34a_100000210790_100000210624 [0,2,0,0,0,0|0,0,2]=4 13260 B12R1.252 CC(C)COCc1ccccc1 7a_100000210790_100000210760 [0,2,0,0,0,0|0,0,2]=4 13261 B12R1.252 CC(C)OCOc1ccccc1 34a_100000210340_100000709892 [0,2,0,0,0,0|0,0,2]=4 13262 B12R1.252 CC(F)COCc1ccccc1 34a_100015925927_100015291786 [0,2,0,0,0,0|0,0,2]=4 13263 B12R1.252 CC(O)CCOc1ccccc1 34a_100000210340_100012276601 [0,2,0,0,0,0|0,0,2]=4 13264 B12R1.252 CC(O)CCOc1ccccc1 7a_100000210340_100012276601 [0,2,0,0,0,0|0,0,2]=4 13265 B12R1.252 CC(O)COCc1ccccc1 34a_100000210790_100011218427 [0,2,0,0,0,0|0,0,2]=4 13266 B12R1.252 CC(O)COCc1ccccc1 7a_100000210790_100011218427 [0,2,0,0,0,0|0,0,2]=4 13267 B12R1.252 CN(C)CCOc1ccccc1 2230a_100000184383_200000210301 [0,2,0,0,0,0|0,0,2]=4 13268 B12R1.252 CN(C)CCOc1ccccc1 2230a_100102631434_100000184471 [0,2,0,0,0,0|0,0,2]=4 13269 B12R1.252 CN(C)CCOc1ccccc1 269982a_100000184383_200000210301 [0,2,0,0,0,0|0,0,2]=4 13270 B12R1.252 CN(C)CCOc1ccccc1 269982a_100102631434_100000184471 [0,2,0,0,0,0|0,0,2]=4 13271 B12R1.252 CN(C)CCOc1ccccc1 270004a_100102631434_100000758736 [0,2,0,0,0,0|0,0,2]=4 13272 B12R1.252 CN(C)CCOc1ccccc1 7a_100000210340_100000755713 [0,2,0,0,0,0|0,0,2]=4 13273 B12R1.252 CN(C)COCc1ccccc1 2230a_100102631434_100000763385 [0,2,0,0,0,0|1,0,1]=4 13274 B12R1.252 CN([13CH3])CCOc1ccccc1 2230a_100000184383_200025704644 [0,2,0,0,0,0|0,0,2]=4 13275 B12R1.252 CN([13CH3])CCOc1ccccc1 269982a_100000184383_200025704644 [0,2,0,0,0,0|0,0,2]=4 13276 B12R1.252 C[C@@H](Cl)COCc1ccccc1 34a_100016084084_100015291786 [0,2,0,0,0,0|0,0,2]=4 13277 B12R1.252 C[C@@H](N)COCc1ccccc1 34a_100000737577_100015291786 [0,2,0,0,0,0|0,0,2]=4 13278 B12R1.252 C[C@@H](O)COCc1ccccc1 34a_100000210790_100009817552 [0,2,0,0,0,0|0,0,2]=4 13279 B12R1.252 C[C@@H](O)COCc1ccccc1 7a_100000210790_100009817552 [0,2,0,0,0,0|0,0,2]=4 13280 B12R1.252 FC(F)COCc1ccccc1 34a_100000210790_100011934356 [0,2,0,0,0,0|1,0,1]=4 13281 B12R1.252 FC(F)COCc1ccccc1 34a_100000743014_100015291786 [0,2,0,0,0,0|1,0,1]=4 13282 B12R1.252 FC(F)COCc1ccccc1 7a_100000210790_100011934356 [0,2,0,0,0,0|1,0,1]=4 13283 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [0,2,0,0,0,0|1,0,1]=4 13284 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [0,2,0,0,0,0|0,0,1]=3 13285 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [0,2,0,0,0,0|0,0,1]=3 13286 B12R1.252 NC(=O)CCOc1cccnc1 34a_100000210849_100000731001 [0,2,0,0,0,0|1,0,1]=4 13287 B12R1.252 NC(=O)CCOc1cccnc1 7a_100000210849_100000744528 [0,2,0,0,0,0|1,0,1]=4 13288 B12R1.252 NC(=O)CCOc1ccncc1 34a_100000212176_100000731001 [0,2,0,0,0,0|1,0,1]=4 13289 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [0,2,0,0,0,0|0,1,1]=4 13290 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [0,2,0,0,0,0|0,1,1]=4 13291 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [0,2,0,0,0,0|2,0,0]=4 13292 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [0,2,0,0,0,0|2,0,0]=4 13293 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [0,2,0,0,0,0|2,0,0]=4 13294 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [0,2,0,0,0,0|1,0,0]=3 13295 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [0,2,0,0,0,0|1,0,0]=3 13296 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [0,2,0,0,0,0|1,1,0]=4 13297 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [0,2,0,0,0,0|1,1,0]=4 13298 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [0,2,0,0,0,0|2,0,0]=4 13299 B12R1.252 O=C([O-])CNCc1ccccc1 34a_100015324214_100020667443 [0,2,0,0,0,0|2,0,0]=4 13300 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [0,2,0,0,0,0|1,0,0]=3 13301 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [0,2,0,0,0,0|1,1,0]=4 13302 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [0,2,0,0,0,0|1,1,0]=4 13303 B12R1.252 O=[N+]([O-])COCc1ccccc1 34a_100000210790_100000761209 [0,2,0,0,0,0|2,0,0]=4 13304 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [0,2,0,0,0,0|1,0,1]=4 13305 B12R1.252 [13CH3]C(=O)C=CSc1ccccc1 1458a_100016262050_200025704644 [0,2,0,0,0,0|0,1,1]=4 13306 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,2,0,0,0,0|1,0,1]=4 13307 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [0,2,0,0,0,0|0,0,1]=3 13308 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [0,2,0,0,0,0|0,1,1]=4 13309 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [0,2,0,0,0,0|0,0,1]=3 13310 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [0,2,0,0,0,0|0,1,1]=4 13311 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 11a_100000106764_100009813364 [0,2,0,0,0,0|1,0,1]=4 13312 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 1626a_100000106764_100009813364 [0,2,0,0,0,0|1,0,1]=4 13313 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [0,2,0,0,0,0|1,0,1]=4 13314 B12R1.43 C=C(C)C(=O)Nc1ccccc1 11a_100000106764_100000185857 [0,2,0,0,0,0|1,0,1]=4 13315 B12R1.43 C=C(C)C(=O)Nc1ccccc1 1626a_100000106764_100000185857 [0,2,0,0,0,0|1,0,1]=4 13316 B12R1.43 C=C(C)C(=O)Nc1ccccc1 22a_100000106764_100000185857 [0,2,0,0,0,0|1,0,1]=4 13317 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 11a_100000106764_100000039160 [0,2,0,0,0,0|1,0,1]=4 13318 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 1626a_100000106764_100000039160 [0,2,0,0,0,0|1,0,1]=4 13319 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 22a_100000106764_100000039160 [0,2,0,0,0,0|1,0,1]=4 13320 B12R1.43 C=C(F)C(=O)Nc1ccccc1 11a_100000106764_100000036797 [0,2,0,0,0,0|1,0,1]=4 13321 B12R1.43 C=C(F)C(=O)Nc1ccccc1 1626a_100000106764_100000036797 [0,2,0,0,0,0|1,0,1]=4 13322 B12R1.43 C=C(F)C(=O)Nc1ccccc1 22a_100000106764_100000036797 [0,2,0,0,0,0|1,0,1]=4 13323 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,2,0,0,0,0|1,0,1]=4 13324 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,2,0,0,0,0|1,0,1]=4 13325 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [0,2,0,0,0,0|0,0,1]=3 13326 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [0,2,0,0,0,0|0,0,1]=3 13327 B12R1.43 CC(=O)C(C)Oc1cccnc1 7a_100000210849_100000179758 [0,2,0,0,0,0|1,0,1]=4 13328 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [0,2,0,0,0,0|0,1,1]=4 13329 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [0,2,0,0,0,0|0,1,1]=4 13330 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [0,2,0,0,0,0|0,1,1]=4 13331 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,2,0,0,0,0|1,0,1]=4 13332 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,2,0,0,0,0|1,0,1]=4 13333 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [0,2,0,0,0,0|2,0,0]=4 13334 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [0,2,0,0,0,0|1,0,0]=3 13335 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [0,2,0,0,0,0|1,0,0]=3 13336 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [0,2,0,0,0,0|0,0,1]=3 13337 B12R1.43 CC(Oc1cccnc1)C(=O)N 34a_100000210849_100000702099 [0,2,0,0,0,0|2,0,0]=4 13338 B12R1.43 CC(Oc1cccnc1)C(=O)N 7a_100000210849_100000702099 [0,2,0,0,0,0|2,0,0]=4 13339 B12R1.43 CC(Oc1ccncc1)C(=O)N 34a_100000212176_100000702099 [0,2,0,0,0,0|2,0,0]=4 13340 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [0,2,0,0,0,0|1,1,0]=4 13341 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [0,2,0,0,0,0|1,1,0]=4 13342 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [0,2,0,0,0,0|0,1,1]=4 13343 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [0,2,0,0,0,0|2,0,0]=4 13344 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [0,2,0,0,0,0|1,0,0]=3 13345 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [0,2,0,0,0,0|1,0,0]=3 13346 B12R1.43 NC(=O)C(F)Oc1cccnc1 34a_100000210849_100009813875 [0,2,0,0,0,0|2,0,0]=4 13347 B12R1.43 NC(=O)C(F)Oc1cccnc1 7a_100000210849_100009813875 [0,2,0,0,0,0|2,0,0]=4 13348 B12R1.43 NC(=O)C(F)Oc1ccncc1 34a_100000212176_100009813875 [0,2,0,0,0,0|2,0,0]=4 13349 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [0,2,0,0,0,0|1,1,0]=4 13350 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [0,2,0,0,0,0|1,1,0]=4 13351 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [0,2,0,0,0,0|2,0,0]=4 13352 B12R1.43 O=C([O-])C(F)Oc1ccccc1 34a_100000210340_100020610796 [0,2,0,0,0,0|1,0,0]=3 13353 B12R1.43 O=C([O-])C(F)Oc1cccnc1 34a_100000210849_100020610796 [0,2,0,0,0,0|2,0,0]=4 13354 B12R1.43 O=C([O-])C(F)Oc1ccncc1 34a_100000212176_100020610796 [0,2,0,0,0,0|2,0,0]=4 13355 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100000719477_100020610796 [0,2,0,0,0,0|1,1,0]=4 13356 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100020610796_100000041952 [0,2,0,0,0,0|1,1,0]=4 13357 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,2,0,0,0,0|1,0,1]=4 13358 B12R1.118 CCC(CC)Oc1ccccc1 7a_100000210340_100000210505 [0,2,0,0,0,0|0,0,2]=4 13359 B12R1.118 O=CC(C=O)Nc1ccccc1 34a_100000106764_100000736813 [0,2,0,0,0,0|2,0,0]=4 13360 B12R1.118 O=CC(C=O)Oc1ccccc1 34a_100000210340_100000736813 [0,2,0,0,0,0|1,0,0]=3 13361 B12R1.118 O=CC(C=O)Oc1cccnc1 34a_100000210849_100000736813 [0,2,0,0,0,0|2,0,0]=4 13362 B12R1.118 O=CC(C=O)Oc1ccncc1 34a_100000212176_100000736813 [0,2,0,0,0,0|2,0,0]=4 13363 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000719477_100000736813 [0,2,0,0,0,0|1,1,0]=4 13364 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000736813_100000041952 [0,2,0,0,0,0|1,1,0]=4 13365 B12R1.194 C#CC(C)(C)Oc1ccccc1 34a_100000210340_100000038118 [0,2,0,0,0,0|0,0,2]=4 13366 B12R1.194 C=CC(F)(F)Sc1ccccc1 62a_100000719477_100009814244 [0,2,0,0,0,0|0,1,0]=3 13367 B12R1.194 C=CC(F)(F)Sc1ccccc1 62a_100009814244_100000041952 [0,2,0,0,0,0|0,1,0]=3 13368 B12R1.194 C=CC(F)(F)Sc1ccccn1 62a_100009814244_100011216584 [0,2,0,0,0,0|1,1,0]=4 13369 B12R1.194 C=CC(F)(F)Sc1ccccn1 62a_100011216584_100009814244 [0,2,0,0,0,0|1,1,0]=4 13370 B12R1.194 C=CC(F)(F)Sc1cccnc1 62a_100000210063_100009814244 [0,2,0,0,0,0|1,1,0]=4 13371 B12R1.194 C=CC(F)(F)Sc1cccnc1 62a_100009814244_100000210063 [0,2,0,0,0,0|1,1,0]=4 13372 B12R1.194 C=CC(F)(F)Sc1ccncc1 62a_100000728582_100009814244 [0,2,0,0,0,0|1,1,0]=4 13373 B12R1.194 C=CC(F)(F)Sc1ccncc1 62a_100009814244_100000728582 [0,2,0,0,0,0|1,1,0]=4 13374 B12R1.194 CC(C)(C#N)Oc1ccccc1 34a_100000210340_100011162410 [0,2,0,0,0,0|1,0,1]=4 13375 B12R1.194 CC(C)(C#N)Oc1ccccc1 7a_100000210340_100011162410 [0,2,0,0,0,0|1,0,1]=4 13376 B12R1.194 CCC(C)(C)Oc1ccccc1 7a_100000210340_100000210677 [0,2,0,0,0,0|0,0,2]=4 13377 B12R1.194 CNC(F)(F)Oc1ccccc1 7a_106832991635_200000057402 [0,2,0,0,0,0|1,0,1]=4 13378 B12R1.194 CSC(F)(F)Oc1ccccc1 62a_200000057402_200000210301 [0,2,0,0,0,0|1,0,1]=4 13379 B12R1.194 CSC(F)(F)Oc1ccccc1 62a_200000210301_200000057402 [0,2,0,0,0,0|1,0,1]=4 13380 B12R1.194 [13CH3]SC(F)(F)Oc1ccccc1 62a_200000057402_200025704644 [0,2,0,0,0,0|1,0,1]=4 13381 B12R1.194 [13CH3]SC(F)(F)Oc1ccccc1 62a_200025704644_200000057402 [0,2,0,0,0,0|1,0,1]=4 13382 B12R1.891 CC(C)(C)COc1ccccc1 34a_100000210340_100011219605 [0,2,0,0,0,0|0,0,2]=4 13383 B12R1.891 CC(C)(F)COc1ccccc1 34a_100000210340_100011997219 [0,2,0,0,0,0|0,0,2]=4 13384 B12R1.891 CC(C)(O)COc1ccccc1 34a_100000210340_100000764493 [0,2,0,0,0,0|0,0,2]=4 13385 B12R1.891 CC(C)(O)COc1ccccc1 7a_100000210340_100000764493 [0,2,0,0,0,0|0,0,2]=4 13386 B12R1.891 C[Si](C)(C)COc1ccccc1 7a_100000210340_100000233785 [0,2,0,0,0,0|0,1,1]=4 13387 B12R1.891 O=S(=O)([O-])COc1ccccc1 34a_100000210340_100009817235 [0,2,0,0,0,0|2,0,0]=4 13388 B10R2.6 c1ccc(cc1)C2CC2 271570a_100011220607_100000210277 [1,0,0,1,0,0|0,0,2]=4 13389 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [0,1,0,1,0,0|2,0,0]=4 13390 B12R2.24 Oc1ccc2c(c1)CCCO2 271570a_203496583355_100011393166 [0,1,0,1,0,0|0,0,2]=4 13391 B12R2.24 Oc1ccc2c(c1)NCCO2 271570a_203496583355_100000708519 [0,1,0,1,0,0|1,0,1]=4 13392 B12R2.24 Oc1ccc2c(c1)OCCC2 271570a_203496583355_100010700467 [0,1,0,1,0,0|0,0,2]=4 13393 B12R2.24 Oc1ccc2c(c1)OCCN2 271570a_203496583355_100012355470 [0,1,0,1,0,0|1,0,1]=4 13394 B12R2.24 Oc1ccc2c(c1)OCCO2 271570a_203496583355_100000184379 [0,1,0,1,0,0|1,0,1]=4 13395 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [0,1,0,1,0,0|1,0,1]=4 13396 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [0,1,0,1,0,0|1,0,1]=4 13397 B12R2.24 Oc1ccc2cccnc2c1 271570a_203496583355_100009816655 [0,1,0,1,0,0|1,0,1]=4 13398 B12R2.24 Oc1ccc2ccncc2c1 271570a_203496583355_100000686496 [0,1,0,1,0,0|2,0,0]=4 13399 B12R2.24 Oc1ccc2cnccc2c1 271570a_203496583355_100009816743 [0,1,0,1,0,0|2,0,0]=4 13400 B12R2.24 Oc1ccc2ncccc2c1 271570a_203496583355_100000754243 [0,1,0,1,0,0|1,0,1]=4 13401 B12R2.24 Oc1ccc2nnccc2c1 271570a_203496583355_100010209549 [0,1,0,1,0,0|2,0,0]=4 13402 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [0,1,0,1,0,0|1,0,1]=4 13403 B12R2.132 Cc1coc2c1cc(cc2)O 271570a_203496583355_100000728893 [0,1,0,1,0,0|0,0,2]=4 13404 B12R2.132 Cc1noc2c1cc(cc2)O 271570a_203496583355_100010196875 [0,1,0,1,0,0|1,0,1]=4 13405 B12R2.132 Nc1noc2c1cc(cc2)O 271570a_203496583355_100012356444 [0,1,0,1,0,0|2,0,0]=4 13406 B12R2.132 O=C1CCc2c1cc(cc2)O 271570a_203496583355_100000759401 [0,1,0,1,0,0|2,0,0]=4 13407 B12R2.132 O=C1COc2c1cc(cc2)O 271570a_203496583355_100000752586 [0,1,0,1,0,0|1,0,0]=3 13408 B12R2.132 O=c1[nH]oc2c1cc(cc2)O 271570a_203496583355_100000732257 [0,1,0,1,0,0|2,0,0]=4 13409 B12R2.294 Brc1ccc(cc1)OC2CC2 34a_100000185759_100000211595 [0,1,0,1,0,0|0,0,2]=4 13410 B12R2.294 Cc1ccc(cc1)OC2CC2 34a_100000210336_100000211595 [0,1,0,1,0,0|0,0,2]=4 13411 B12R2.294 Clc1ccc(cc1)OC2CC2 34a_100000210216_100000211595 [0,1,0,1,0,0|0,0,2]=4 13412 B12R2.294 Fc1ccc(cc1)OC2CC2 34a_100000210339_100000211595 [0,1,0,1,0,0|0,0,2]=4 13413 B12R2.294 Ic1ccc(cc1)OC2CC2 34a_100000212066_100000211595 [0,1,0,1,0,0|0,0,2]=4 13414 B12R2.294 Nc1ccc(cc1)OC2CC2 34a_100000185829_100000211595 [0,1,0,1,0,0|0,0,2]=4 13415 B12R2.294 Oc1ccc(cc1)OC2CC2 271570a_203496583355_100000704264 [0,1,0,1,0,0|0,0,2]=4 13416 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [0,1,0,1,0,0|1,0,1]=4 13417 B12R2.2 C1=C(CCO1)c2ccccc2 271570a_100000118173_100000210277 [0,1,0,1,0,0|1,0,1]=4 13418 B12R2.2 C1=C(COC1)c2ccccc2 271570a_100009872500_100000210277 [0,1,0,1,0,0|1,0,1]=4 13419 B12R2.2 c1ccc(cc1)c2c[nH]cn2 271570a_100011218836_100000756875 [0,1,0,1,0,0|2,0,0]=4 13420 B12R2.2 c1ccc(cc1)c2cc[nH]c2 271570a_100000102155_100000210277 [0,1,0,1,0,0|1,0,1]=4 13421 B12R2.2 c1ccc(cc1)c2cc[nH]n2 271570a_100000062414_100000210277 [0,1,0,1,0,0|2,0,0]=4 13422 B12R2.2 c1ccc(cc1)c2cc[nH]n2 271570a_100011218836_100000062575 [0,1,0,1,0,0|2,0,0]=4 13423 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100000750936_100000210277 [0,1,0,1,0,0|0,0,1]=3 13424 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100011218836_100009814098 [0,1,0,1,0,0|0,0,1]=3 13425 B12R2.2 c1ccc(cc1)c2cccs2 271570a_100000742291_100000210277 [0,1,0,1,0,0|0,1,1]=4 13426 B12R2.2 c1ccc(cc1)c2cccs2 271570a_100011218836_100011215356 [0,1,0,1,0,0|0,1,1]=4 13427 B12R2.2 c1ccc(cc1)c2ccoc2 271570a_100011218836_100011215275 [0,1,0,1,0,0|1,0,1]=4 13428 B12R2.2 c1ccc(cc1)c2ccoc2 271570a_100011218838_100000210277 [0,1,0,1,0,0|1,0,1]=4 13429 B12R2.2 c1ccc(cc1)c2ccsc2 271570a_100011218836_100000738268 [0,1,0,1,0,0|1,0,1]=4 13430 B12R2.2 c1ccc(cc1)c2ccsc2 271570a_100011934443_100000210277 [0,1,0,1,0,0|1,0,1]=4 13431 B12R2.2 c1ccc(cc1)c2ccsn2 271570a_100011218836_100009818082 [0,1,0,1,0,0|2,0,0]=4 13432 B12R2.2 c1ccc(cc1)c2cnco2 271570a_100011218836_100020591547 [0,1,0,1,0,0|1,0,1]=4 13433 B12R2.2 c1ccc(cc1)c2cncs2 271570a_100010231675_100000210277 [0,1,0,1,0,0|2,0,0]=4 13434 B12R2.2 c1ccc(cc1)c2cncs2 271570a_100011218836_100011934649 [0,1,0,1,0,0|2,0,0]=4 13435 B12R2.2 c1ccc(cc1)c2cscn2 271570a_100011218836_100000751502 [0,1,0,1,0,0|2,0,0]=4 13436 B12R2.2 c1ccc(cc1)c2ncc[nH]2 271570a_100011218836_100025796157 [0,1,0,1,0,0|2,0,0]=4 13437 B12R2.2 c1ccc(cc1)c2ncc[nH]2 271570a_100016988920_100000210277 [0,1,0,1,0,0|2,0,0]=4 13438 B12R2.2 c1ccc(cc1)c2ncco2 271570a_100011218836_100011787736 [0,1,0,1,0,0|1,0,1]=4 13439 B12R2.2 c1ccc(cc1)c2nccs2 271570a_100011218836_100000211983 [0,1,0,1,0,0|2,0,0]=4 13440 B12R2.2 c1ccc(nc1)c2ccco2 271570a_100000750936_100011216584 [0,1,0,1,0,0|1,0,1]=4 13441 B12R2.2 c1ccc(nc1)c2ccco2 271570a_100011264011_100009814098 [0,1,0,1,0,0|1,0,1]=4 13442 B12R2.2 c1cncc(c1)c2ccco2 271570a_100000750936_100000752921 [0,1,0,1,0,0|1,0,1]=4 13443 B12R2.2 c1cncc(c1)c2ccco2 271570a_100000757648_100009814098 [0,1,0,1,0,0|1,0,1]=4 13444 B12R2.2 c1coc(c1)c2ccncc2 271570a_100000750936_100000035832 [0,1,0,1,0,0|1,0,1]=4 13445 B12R2.2 c1coc(c1)c2ccncc2 271570a_100000752145_100009814098 [0,1,0,1,0,0|1,0,1]=4 13446 B12R2.1081 Oc1cccc2c1CCCO2 271570a_203496583355_100010188023 [0,1,0,1,0,0|0,0,2]=4 13447 B12R2.1081 Oc1cccc2c1CCN=C2 271570a_203496583355_100010982778 [0,1,0,1,0,0|2,0,0]=4 13448 B12R2.1081 Oc1cccc2c1NCCO2 271570a_203496583355_100015018771 [0,1,0,1,0,0|1,0,1]=4 13449 B12R2.1081 Oc1cccc2c1OCCC2 271570a_203496583355_100010204675 [0,1,0,1,0,0|0,0,2]=4 13450 B12R2.1081 Oc1cccc2c1OCCN2 271570a_203496583355_100000726803 [0,1,0,1,0,0|1,0,1]=4 13451 B12R2.1081 Oc1cccc2c1OCCO2 271570a_203496583355_100009815980 [0,1,0,1,0,0|1,0,1]=4 13452 B12R2.1081 Oc1cccc2c1cccc2 271570a_203496583355_100000210605 [0,1,0,1,0,0|1,0,1]=4 13453 B12R2.1081 Oc1cccc2c1cccn2 271570a_203496583355_100011290932 [0,1,0,1,0,0|1,0,1]=4 13454 B12R2.1081 Oc1cccc2c1ccnc2 271570a_203496583355_100000186358 [0,1,0,1,0,0|2,0,0]=4 13455 B12R2.1081 Oc1cccc2c1cncc2 271570a_203496583355_100000685578 [0,1,0,1,0,0|2,0,0]=4 13456 B12R2.1081 Oc1cccc2c1nccc2 271570a_203496583355_100011215545 [0,1,0,1,0,0|1,0,1]=4 13457 B12R2.1081 Oc1ccnc2c1cccc2 271570a_203496583355_100011215880 [0,1,0,1,0,0|1,0,1]=4 13458 B12R2.1081 Oc1cncc2c1cccc2 271570a_203496583355_100000187577 [0,1,0,1,0,0|2,0,0]=4 13459 B12R2.1081 Oc1cnnc2c1cccc2 271570a_203496583355_100000063506 [0,1,0,1,0,0|2,0,0]=4 13460 B12R2.1081 Oc1nccc2c1cccc2 271570a_203496583355_100011934041 [0,1,0,1,0,0|2,0,0]=4 13461 B12R2.32 C=Cc1cc2ccccc2[nH]1 271570a_100011290941_100010232065 [0,1,0,1,0,0|1,0,1]=4 13462 B12R2.32 C=Cc1cc2ccccc2o1 271570a_100011290941_100010159458 [0,1,0,1,0,0|0,0,1]=3 13463 B12R2.32 C=Cc1cc2ccccc2s1 271570a_100011290941_100009816949 [0,1,0,1,0,0|0,1,1]=4 13464 B12R2.32 C=Cc1nc2ccccc2[nH]1 271570a_100011290941_100009814255 [0,1,0,1,0,0|1,0,1]=4 13465 B12R2.32 C=Cc1nc2ccccc2s1 271570a_100011290941_100000751744 [0,1,0,1,0,0|0,1,1]=4 13466 B12R2.196 NC1COc2c1cccc2O 271570a_203496583355_100025715106 [0,1,0,1,0,0|1,0,1]=4 13467 B12R2.196 Nc1noc2c1cccc2O 271570a_203496583355_100010069758 [0,1,0,1,0,0|2,0,0]=4 13468 B12R2.196 O=C1CCc2c1cccc2O 271570a_203496583355_100000744605 [0,1,0,1,0,0|2,0,0]=4 13469 B12R2.196 O=C1COc2c1cccc2O 271570a_203496583355_100011230590 [0,1,0,1,0,0|1,0,0]=3 13470 B12R2.225 Brc1ccccc1OC2CC2 34a_100000181306_100000211595 [0,1,0,1,0,0|0,0,2]=4 13471 B12R2.225 Cc1ccccc1OC2CC2 34a_100000210338_100000211595 [0,1,0,1,0,0|0,0,2]=4 13472 B12R2.225 Clc1ccccc1OC2CC2 34a_100000210172_100000211595 [0,1,0,1,0,0|0,0,2]=4 13473 B12R2.225 Fc1ccccc1OC2CC2 34a_100000210171_100000211595 [0,1,0,1,0,0|0,0,2]=4 13474 B12R2.225 Ic1ccccc1OC2CC2 34a_100000739446_100000211595 [0,1,0,1,0,0|0,0,2]=4 13475 B12R2.225 Nc1ccccc1OC2CC2 34a_100000185747_100000211595 [0,1,0,1,0,0|0,0,2]=4 13476 B12R2.225 Oc1ccccc1OC2CC2 271570a_203496583355_100012344913 [0,1,0,1,0,0|0,0,2]=4 13477 B12R2.203 Nc1noc2c1c(ccc2)O 271570a_203496583355_100012361266 [0,1,0,1,0,0|2,0,0]=4 13478 B12R2.203 O=C1CCc2c1c(ccc2)O 271570a_203496583355_100009816781 [0,1,0,1,0,0|2,0,0]=4 13479 B12R2.203 O=C1COc2c1c(ccc2)O 271570a_203496583355_100010205902 [0,1,0,1,0,0|1,0,0]=3 13480 B12R2.612 Cc1coc2c1ccc(c2)O 271570a_203496583355_100010775837 [0,1,0,1,0,0|0,0,2]=4 13481 B12R2.612 Cc1noc2c1ccc(c2)O 271570a_203496583355_100009815287 [0,1,0,1,0,0|1,0,1]=4 13482 B12R2.612 NC1COc2c1ccc(c2)O 271570a_203496583355_100020628175 [0,1,0,1,0,0|1,0,1]=4 13483 B12R2.612 Nc1noc2c1ccc(c2)O 271570a_203496583355_100012356334 [0,1,0,1,0,0|2,0,0]=4 13484 B12R2.612 O=C1CCc2c1ccc(c2)O 271570a_203496583355_100000737041 [0,1,0,1,0,0|2,0,0]=4 13485 B12R2.612 O=C1COc2c1ccc(c2)O 271570a_203496583355_100000686717 [0,1,0,1,0,0|1,0,0]=3 13486 B12R2.612 Oc1ccc2c(noc2c1)O 271570a_203496583355_100000727085 [0,1,0,1,0,0|2,0,0]=4 13487 B12R2.1286 Brc1cccc(c1)OC2CC2 34a_100000210342_100000211595 [0,1,0,1,0,0|0,0,2]=4 13488 B12R2.1286 Cc1cccc(c1)OC2CC2 34a_100000210337_100000211595 [0,1,0,1,0,0|0,0,2]=4 13489 B12R2.1286 Clc1cccc(c1)OC2CC2 34a_100000210295_100000211595 [0,1,0,1,0,0|0,0,2]=4 13490 B12R2.1286 Fc1cccc(c1)OC2CC2 34a_100000210426_100000211595 [0,1,0,1,0,0|0,0,2]=4 13491 B12R2.1286 Ic1cccc(c1)OC2CC2 34a_100000211634_100000211595 [0,1,0,1,0,0|0,0,2]=4 13492 B12R2.1286 Nc1cccc(c1)OC2CC2 34a_100000210217_100000211595 [0,1,0,1,0,0|0,0,2]=4 13493 B12R2.1286 Oc1cccc(c1)OC2CC2 271570a_203496583355_100012344912 [0,1,0,1,0,0|0,0,2]=4 13494 B12R2.1 C=Cc1coc2c1cccc2 271570a_100011290941_100009812202 [0,1,0,1,0,0|0,0,1]=3 13495 B12R2.1 C=Cc1coc2c1nccc2 271570a_100011290941_100009889148 [0,1,0,1,0,0|1,0,1]=4 13496 B12R2.1 C=Cc1csc2c1cccc2 271570a_100011290941_100009813928 [0,1,0,1,0,0|0,1,1]=4 13497 B12R2.1 C=Cc1n[nH]c2c1cccc2 271570a_100011290941_100000050141 [0,1,0,1,0,0|1,0,1]=4 13498 B12R2.1 CNC1COc2c1cccc2 2230a_100000747519_200000210301 [0,1,0,1,0,0|0,0,2]=4 13499 B12R2.1 CSc1coc2c1cccc2 62a_200000210301_100009812202 [0,1,0,1,0,0|0,0,2]=4 13500 B12R2.1 CSc1noc2c1cccc2 62a_200000210301_200000703156 [0,1,0,1,0,0|1,0,1]=4 13501 B12R2.1 CSc1noc2c1cccc2 62a_200000703156_200000210301 [0,1,0,1,0,0|1,0,1]=4 13502 B12R2.1 [13CH3]NC1COc2c1cccc2 2230a_100000747519_200025704644 [0,1,0,1,0,0|0,0,2]=4 13503 B12R2.1 [13CH3]Sc1coc2c1cccc2 62a_200025704644_100009812202 [0,1,0,1,0,0|0,0,2]=4 13504 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200000703156_200025704644 [0,1,0,1,0,0|1,0,1]=4 13505 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200025704644_200000703156 [0,1,0,1,0,0|1,0,1]=4 13506 B12R2.2057 c1ccc(cc1)COC2CC2 34a_100000210790_100000211595 [0,1,0,1,0,0|0,0,2]=4 13507 B12R2.2057 c1ccc(cc1)OCC2CC2 34a_100000210340_100000742324 [0,1,0,1,0,0|0,0,2]=4 13508 B12R2.2057 c1ccc(cc1)OCC2CC2 7a_100000210340_100000742324 [0,1,0,1,0,0|0,0,2]=4 13509 B12R2.2057 c1ccc(cc1)OCC2CO2 34a_100000210340_102125554688 [0,1,0,1,0,0|0,0,2]=4 13510 B12R2.2057 c1ccc(cc1)OCC2CO2 7a_100000210340_102125554688 [0,1,0,1,0,0|0,0,2]=4 13511 B12R2.2057 c1ccc(cc1)OCC2CS2 7a_100000210340_100000031435 [0,1,0,1,0,0|0,0,2]=4 13512 B12R2.2057 c1ccc(cc1)OC[C@@H]2CO2 7a_100000210340_100000745022 [0,1,0,1,0,0|0,0,2]=4 13513 B12R2.2058 c1ccc(cc1)OC2CCC2 34a_100000210340_100000749161 [0,1,0,1,0,0|0,0,2]=4 13514 B12R2.2058 c1ccc(cc1)OC2COC2 34a_100000210340_100009818527 [0,1,0,1,0,0|0,0,2]=4 13515 B12R2.2058 c1ccc(cc1)OC2COC2 7a_100000210340_100009818527 [0,1,0,1,0,0|0,0,2]=4 13516 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,1,0,1,0,0|1,0,1]=4 13517 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,1,0,1,0,0|1,0,1]=4 13518 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,1,0,1,0,0|1,0,1]=4 13519 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [1,0,0,0,1,0|1,0,1]=4 13520 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [1,0,0,0,1,0|1,0,1]=4 13521 B8R1.8 FCOc1ccsc1 34a_100000106738_100015361967 [1,0,0,0,1,0|2,0,0]=4 13522 B8R1.8 FCOc1ccsc1 7a_100000106738_100015361967 [1,0,0,0,1,0|2,0,0]=4