0 B10R1.17 C#CCNc1ccccc1 34a_100000106764_100000184674 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.17 C#CCOc1ccccc1 34a_100000210340_100000184674 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.17 C#CCOc1ccccc1 7a_100000210340_100000038162 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.17 C#CCOc1cccnc1 34a_100000210849_100000184674 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.17 C#CCOc1cccnc1 7a_100000210849_100000038162 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.17 C#CCOc1ccncc1 34a_100000212176_100000184674 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.17 C#CCOc1ccnnc1 34a_100015204005_100000184674 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.17 C#CCOc1cncnc1 7a_100000754086_100000038162 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.17 C#CCSc1ccccc1 62a_100000038162_100000041952 [0,0,0,0,0,0|1,1,1]=3 9 B10R1.17 C#CCSc1ccccn1 62a_100000038162_100011216584 [0,0,0,0,0,0|2,1,1]=4 10 B10R1.17 C#CCSc1cccnc1 62a_100000038162_100000210063 [0,0,0,0,0,0|2,1,1]=4 11 B10R1.17 C#CCSc1ccncc1 62a_100000038162_100000728582 [0,0,0,0,0,0|2,1,1]=4 12 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [0,0,0,0,0,0|1,0,1]=2 14 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [0,0,0,0,0,0|1,0,1]=2 15 B10R1.17 C=CCOc1cccnc1 34a_100000210849_100015514636 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.17 C=CCOc1cccnc1 7a_100000210849_100015514636 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.17 C=CCOc1ccncc1 34a_100000212176_100015514636 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.17 C=CCOc1ccnnc1 34a_100015204005_100015514636 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.17 C=CCOc1cncnc1 7a_100000754086_100015514636 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [0,0,0,0,0,0|1,1,1]=3 21 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [0,0,0,0,0,0|1,1,1]=3 22 B10R1.17 C=CCSc1ccccn1 62a_100000210623_100011216584 [0,0,0,0,0,0|2,1,1]=4 23 B10R1.17 C=CCSc1ccccn1 62a_100011216584_100000210623 [0,0,0,0,0,0|2,1,1]=4 24 B10R1.17 C=CCSc1cccnc1 62a_100000210063_100000210623 [0,0,0,0,0,0|2,1,1]=4 25 B10R1.17 C=CCSc1cccnc1 62a_100000210623_100000210063 [0,0,0,0,0,0|2,1,1]=4 26 B10R1.17 C=CCSc1ccncc1 62a_100000210623_100000728582 [0,0,0,0,0,0|2,1,1]=4 27 B10R1.17 C=CCSc1ccncc1 62a_100000728582_100000210623 [0,0,0,0,0,0|2,1,1]=4 28 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.17 CCCCc1ccnnc1 271570a_100020621405_100000732662 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.17 CCCCc1cncnc1 271570a_100020621405_100011206942 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.17 CCCCc1ncccn1 271570a_100020621405_100000211032 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [0,0,0,0,0,0|1,0,0]=1 41 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [0,0,0,0,0,0|1,0,0]=1 42 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [0,0,0,0,0,0|2,0,0]=2 43 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.17 CCCOc1ccnnc1 34a_100015204005_100000210303 [0,0,0,0,0,0|3,0,0]=3 46 B10R1.17 CCCOc1cncnc1 7a_100000754086_100000210303 [0,0,0,0,0,0|3,0,0]=3 47 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [0,0,0,0,0,0|1,1,0]=2 48 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [0,0,0,0,0,0|1,1,0]=2 49 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [0,0,0,0,0,0|2,1,0]=3 50 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [0,0,0,0,0,0|2,1,0]=3 51 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [0,0,0,0,0,0|2,1,0]=3 52 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [0,0,0,0,0,0|2,1,0]=3 53 B10R1.17 CCCSc1cccnn1 62a_100000210303_100016991348 [0,0,0,0,0,0|3,1,0]=4 54 B10R1.17 CCCSc1cccnn1 62a_100016991348_100000210303 [0,0,0,0,0,0|3,1,0]=4 55 B10R1.17 CCCSc1ccncc1 62a_100000210303_100000728582 [0,0,0,0,0,0|2,1,0]=3 56 B10R1.17 CCCSc1ccncc1 62a_100000728582_100000210303 [0,0,0,0,0,0|2,1,0]=3 57 B10R1.17 CCCSc1ccncn1 62a_100000210303_100000703185 [0,0,0,0,0,0|3,1,0]=4 58 B10R1.17 CCCSc1ccncn1 62a_100000703185_100000210303 [0,0,0,0,0,0|3,1,0]=4 59 B10R1.17 CCCSc1ccnnc1 62a_100000210303_100000732662 [0,0,0,0,0,0|3,1,0]=4 60 B10R1.17 CCCSc1ccnnc1 62a_100000732662_100000210303 [0,0,0,0,0,0|3,1,0]=4 61 B10R1.17 CCCSc1cnccn1 62a_100000210303_100000211759 [0,0,0,0,0,0|3,1,0]=4 62 B10R1.17 CCCSc1cnccn1 62a_100000211759_100000210303 [0,0,0,0,0,0|3,1,0]=4 63 B10R1.17 CCCSc1cncnc1 62a_100000210303_100011206942 [0,0,0,0,0,0|3,1,0]=4 64 B10R1.17 CCCSc1cncnc1 62a_100011206942_100000210303 [0,0,0,0,0,0|3,1,0]=4 65 B10R1.17 CCCSc1ncccn1 62a_100000210303_100000211032 [0,0,0,0,0,0|3,1,0]=4 66 B10R1.17 CCCSc1ncccn1 62a_100000211032_100000210303 [0,0,0,0,0,0|3,1,0]=4 67 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [0,0,0,0,0,0|3,0,0]=3 68 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [0,0,0,0,0,0|3,0,0]=3 69 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [0,0,0,0,0,0|3,0,0]=3 70 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [0,0,0,0,0,0|3,0,0]=3 71 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [0,0,0,0,0,0|3,0,0]=3 72 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [0,0,0,0,0,0|4,0,0]=4 73 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [0,0,0,0,0,0|4,0,0]=4 74 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [0,0,0,0,0,0|4,0,0]=4 75 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [0,0,0,0,0,0|4,0,0]=4 76 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [0,0,0,0,0,0|4,0,0]=4 77 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [0,0,0,0,0,0|4,0,0]=4 78 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [0,0,0,0,0,0|4,0,0]=4 79 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [0,0,0,0,0,0|4,0,0]=4 80 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [0,0,0,0,0,0|3,0,0]=3 81 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [0,0,0,0,0,0|3,0,0]=3 82 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [0,0,0,0,0,0|3,0,0]=3 83 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [0,0,0,0,0,0|4,0,0]=4 84 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [0,0,0,0,0,0|4,0,0]=4 85 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [0,0,0,0,0,0|3,0,0]=3 86 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [0,0,0,0,0,0|3,0,0]=3 87 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [0,0,0,0,0,0|4,0,0]=4 88 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [0,0,0,0,0,0|4,0,0]=4 89 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [0,0,0,0,0,0|4,0,0]=4 90 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [0,0,0,0,0,0|4,0,0]=4 91 B10R1.17 CCSCc1ccncc1 62a_100000210202_100015193705 [0,0,0,0,0,0|4,0,0]=4 92 B10R1.17 CCSCc1ccncc1 62a_100015193705_100000210202 [0,0,0,0,0,0|4,0,0]=4 93 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [0,0,0,0,0,0|3,0,0]=3 94 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [0,0,0,0,0,0|3,0,0]=3 95 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [0,0,0,0,0,0|3,0,0]=3 96 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [0,0,0,0,0,0|3,0,0]=3 97 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [0,0,0,0,0,0|3,0,0]=3 98 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [0,0,0,0,0,0|4,0,0]=4 99 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [0,0,0,0,0,0|4,0,0]=4 100 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [0,0,0,0,0,0|4,0,0]=4 101 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [0,0,0,0,0,0|4,0,0]=4 102 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [0,0,0,0,0,0|4,0,0]=4 103 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [0,0,0,0,0,0|4,0,0]=4 104 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [0,0,0,0,0,0|4,0,0]=4 105 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [0,0,0,0,0,0|2,1,0]=3 106 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [0,0,0,0,0,0|3,0,0]=3 107 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [0,0,0,0,0,0|3,0,0]=3 108 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [0,0,0,0,0,0|3,0,0]=3 109 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [0,0,0,0,0,0|4,0,0]=4 110 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [0,0,0,0,0,0|4,0,0]=4 111 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [0,0,0,0,0,0|4,0,0]=4 112 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [0,0,0,0,0,0|2,1,0]=3 113 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [0,0,0,0,0,0|2,1,0]=3 114 B10R1.17 COCSc1ccccn1 62a_100000766300_100011216584 [0,0,0,0,0,0|3,1,0]=4 115 B10R1.17 COCSc1ccccn1 62a_100011216584_100000766300 [0,0,0,0,0,0|3,1,0]=4 116 B10R1.17 COCSc1cccnc1 62a_100000210063_100000766300 [0,0,0,0,0,0|3,1,0]=4 117 B10R1.17 COCSc1cccnc1 62a_100000766300_100000210063 [0,0,0,0,0,0|3,1,0]=4 118 B10R1.17 COCSc1ccncc1 62a_100000728582_100000766300 [0,0,0,0,0,0|3,1,0]=4 119 B10R1.17 COCSc1ccncc1 62a_100000766300_100000728582 [0,0,0,0,0,0|3,1,0]=4 120 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [0,0,0,0,0,0|3,0,0]=3 121 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [0,0,0,0,0,0|3,0,0]=3 122 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [0,0,0,0,0,0|4,0,0]=4 123 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [0,0,0,0,0,0|4,0,0]=4 124 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [0,0,0,0,0,0|4,0,0]=4 125 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [0,0,0,0,0,0|4,0,0]=4 126 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [0,0,0,0,0,0|4,0,0]=4 127 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [0,0,0,0,0,0|4,0,0]=4 128 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [0,0,0,0,0,0|3,0,0]=3 129 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [0,0,0,0,0,0|2,0,0]=2 130 B10R1.17 CSCOc1cccnc1 34a_100000210849_100011218213 [0,0,0,0,0,0|3,0,0]=3 131 B10R1.17 CSCOc1ccncc1 34a_100000212176_100011218213 [0,0,0,0,0,0|3,0,0]=3 132 B10R1.17 CSCOc1ccnnc1 34a_100015204005_100011218213 [0,0,0,0,0,0|4,0,0]=4 133 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [0,0,0,0,0,0|2,1,0]=3 134 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [0,0,0,0,0,0|2,1,0]=3 135 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [0,0,0,0,0,0|2,1,0]=3 136 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [0,0,0,0,0,0|2,1,0]=3 137 B10R1.17 CSCSc1ccccn1 62a_100011216584_100011218213 [0,0,0,0,0,0|3,1,0]=4 138 B10R1.17 CSCSc1ccccn1 62a_100011218213_100011216584 [0,0,0,0,0,0|3,1,0]=4 139 B10R1.17 CSCSc1cccnc1 62a_100000210063_100011218213 [0,0,0,0,0,0|3,1,0]=4 140 B10R1.17 CSCSc1cccnc1 62a_100011218213_100000210063 [0,0,0,0,0,0|3,1,0]=4 141 B10R1.17 CSCSc1ccncc1 62a_100000728582_100011218213 [0,0,0,0,0,0|3,1,0]=4 142 B10R1.17 CSCSc1ccncc1 62a_100011218213_100000728582 [0,0,0,0,0,0|3,1,0]=4 143 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [0,0,0,0,0,0|2,0,0]=2 144 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [0,0,0,0,0,0|1,0,0]=1 145 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [0,0,0,0,0,0|1,0,0]=1 146 B10R1.17 FCCOc1cccnc1 34a_100000210849_100011217306 [0,0,0,0,0,0|2,0,0]=2 147 B10R1.17 FCCOc1cccnc1 7a_100000210849_100011217306 [0,0,0,0,0,0|2,0,0]=2 148 B10R1.17 FCCOc1ccncc1 34a_100000212176_100011217306 [0,0,0,0,0,0|2,0,0]=2 149 B10R1.17 FCCOc1ccnnc1 34a_100015204005_100011217306 [0,0,0,0,0,0|3,0,0]=3 150 B10R1.17 FCCOc1cncnc1 7a_100000754086_100011217306 [0,0,0,0,0,0|3,0,0]=3 151 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [0,0,0,0,0,0|1,1,0]=2 152 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [0,0,0,0,0,0|1,1,0]=2 153 B10R1.17 FCCSc1ccccn1 62a_100011216584_100011217306 [0,0,0,0,0,0|2,1,0]=3 154 B10R1.17 FCCSc1ccccn1 62a_100011217306_100011216584 [0,0,0,0,0,0|2,1,0]=3 155 B10R1.17 FCCSc1cccnc1 62a_100000210063_100011217306 [0,0,0,0,0,0|2,1,0]=3 156 B10R1.17 FCCSc1cccnc1 62a_100011217306_100000210063 [0,0,0,0,0,0|2,1,0]=3 157 B10R1.17 FCCSc1cccnn1 62a_100011217306_100016991348 [0,0,0,0,0,0|3,1,0]=4 158 B10R1.17 FCCSc1cccnn1 62a_100016991348_100011217306 [0,0,0,0,0,0|3,1,0]=4 159 B10R1.17 FCCSc1ccncc1 62a_100000728582_100011217306 [0,0,0,0,0,0|2,1,0]=3 160 B10R1.17 FCCSc1ccncc1 62a_100011217306_100000728582 [0,0,0,0,0,0|2,1,0]=3 161 B10R1.17 FCCSc1ccncn1 62a_100000703185_100011217306 [0,0,0,0,0,0|3,1,0]=4 162 B10R1.17 FCCSc1ccncn1 62a_100011217306_100000703185 [0,0,0,0,0,0|3,1,0]=4 163 B10R1.17 FCCSc1ccnnc1 62a_100000732662_100011217306 [0,0,0,0,0,0|3,1,0]=4 164 B10R1.17 FCCSc1ccnnc1 62a_100011217306_100000732662 [0,0,0,0,0,0|3,1,0]=4 165 B10R1.17 FCCSc1cnccn1 62a_100000211759_100011217306 [0,0,0,0,0,0|3,1,0]=4 166 B10R1.17 FCCSc1cnccn1 62a_100011217306_100000211759 [0,0,0,0,0,0|3,1,0]=4 167 B10R1.17 FCCSc1cncnc1 62a_100011206942_100011217306 [0,0,0,0,0,0|3,1,0]=4 168 B10R1.17 FCCSc1cncnc1 62a_100011217306_100011206942 [0,0,0,0,0,0|3,1,0]=4 169 B10R1.17 FCCSc1ncccn1 62a_100000211032_100011217306 [0,0,0,0,0,0|3,1,0]=4 170 B10R1.17 FCCSc1ncccn1 62a_100011217306_100000211032 [0,0,0,0,0,0|3,1,0]=4 171 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [0,0,0,0,0,0|3,0,0]=3 172 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [0,0,0,0,0,0|3,0,0]=3 173 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [0,0,0,0,0,0|3,0,0]=3 174 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [0,0,0,0,0,0|3,0,0]=3 175 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [0,0,0,0,0,0|3,0,0]=3 176 B10R1.17 FCSCc1ccccn1 62a_100000721315_100015361967 [0,0,0,0,0,0|4,0,0]=4 177 B10R1.17 FCSCc1ccccn1 62a_100015361967_100000721315 [0,0,0,0,0,0|4,0,0]=4 178 B10R1.17 FCSCc1cccnc1 62a_100000741622_100015361967 [0,0,0,0,0,0|4,0,0]=4 179 B10R1.17 FCSCc1cccnc1 62a_100015361967_100000741622 [0,0,0,0,0,0|4,0,0]=4 180 B10R1.17 FCSCc1ccncc1 62a_100015193705_100015361967 [0,0,0,0,0,0|4,0,0]=4 181 B10R1.17 FCSCc1ccncc1 62a_100015361967_100015193705 [0,0,0,0,0,0|4,0,0]=4 182 B10R1.17 N#CCOc1ccccc1 7a_100000210340_100011215382 [0,0,0,0,0,0|1,0,1]=2 183 B10R1.17 N#CCOc1cccnc1 7a_100000210849_100011215382 [0,0,0,0,0,0|2,0,1]=3 184 B10R1.17 N#CCOc1cncnc1 7a_100000754086_100011215382 [0,0,0,0,0,0|3,0,1]=4 185 B10R1.17 N#CCSc1ccccc1 62a_100000719477_100011215382 [0,0,0,0,0,0|1,1,1]=3 186 B10R1.17 N#CCSc1ccccc1 62a_100011215382_100000041952 [0,0,0,0,0,0|1,1,1]=3 187 B10R1.17 N#CCSc1ccccn1 62a_100011215382_100011216584 [0,0,0,0,0,0|2,1,1]=4 188 B10R1.17 N#CCSc1ccccn1 62a_100011216584_100011215382 [0,0,0,0,0,0|2,1,1]=4 189 B10R1.17 N#CCSc1cccnc1 62a_100000210063_100011215382 [0,0,0,0,0,0|2,1,1]=4 190 B10R1.17 N#CCSc1cccnc1 62a_100011215382_100000210063 [0,0,0,0,0,0|2,1,1]=4 191 B10R1.17 N#CCSc1ccncc1 62a_100000728582_100011215382 [0,0,0,0,0,0|2,1,1]=4 192 B10R1.17 N#CCSc1ccncc1 62a_100011215382_100000728582 [0,0,0,0,0,0|2,1,1]=4 193 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [0,0,0,0,0,0|1,0,2]=3 194 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [0,0,0,0,0,0|0,0,2]=2 195 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [0,0,0,0,0,0|0,0,2]=2 196 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [0,0,0,0,0,0|1,0,2]=3 197 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [0,0,0,0,0,0|1,0,2]=3 198 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [0,0,0,0,0,0|1,0,2]=3 199 B10R1.17 O=CCOc1ccnnc1 34a_100015204005_200009817547 [0,0,0,0,0,0|2,0,2]=4 200 B10R1.17 O=CCOc1cncnc1 7a_100000754086_200015260668 [0,0,0,0,0,0|2,0,2]=4 201 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [0,0,0,0,0,0|0,1,2]=3 202 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [0,0,0,0,0,0|0,1,2]=3 203 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [0,0,0,0,0,0|1,1,2]=4 204 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [0,0,0,0,0,0|1,1,2]=4 205 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [0,0,0,0,0,0|1,1,2]=4 206 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [0,0,0,0,0,0|1,1,2]=4 207 B10R1.17 O=CCSc1ccncc1 62a_100000728582_200015260668 [0,0,0,0,0,0|1,1,2]=4 208 B10R1.17 O=CCSc1ccncc1 62a_200015260668_100000728582 [0,0,0,0,0,0|1,1,2]=4 209 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [0,0,0,0,0,0|1,0,0]=1 210 B10R1.17 OCCNc1cccnn1 27a_100000210304_100016991348 [0,0,0,0,0,0|3,0,0]=3 211 B10R1.17 OCCNc1ccncn1 27a_100000210304_100000703185 [0,0,0,0,0,0|3,0,0]=3 212 B10R1.17 OCCNc1cnccn1 27a_100000210304_100000211759 [0,0,0,0,0,0|3,0,0]=3 213 B10R1.17 OCCNc1ncccn1 27a_100000210304_100000211032 [0,0,0,0,0,0|3,0,0]=3 214 B10R1.17 OCCOC1C=CCCC1 34a_100011215024_100000211926 [0,0,0,0,0,0|0,0,4]=4 215 B10R1.17 OCCOC1CC=CCC1 34a_100000073881_100000211926 [0,0,0,0,0,0|0,0,4]=4 216 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [0,0,0,0,0,0|0,0,0]=0 217 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [0,0,0,0,0,0|0,0,0]=0 218 B10R1.17 OCCOc1cccnc1 34a_100000210849_100000211926 [0,0,0,0,0,0|1,0,0]=1 219 B10R1.17 OCCOc1cccnc1 7a_100000210849_100000211926 [0,0,0,0,0,0|1,0,0]=1 220 B10R1.17 OCCOc1ccncc1 34a_100000212176_100000211926 [0,0,0,0,0,0|1,0,0]=1 221 B10R1.17 OCCOc1ccnnc1 34a_100015204005_100000211926 [0,0,0,0,0,0|2,0,0]=2 222 B10R1.17 OCCOc1cncnc1 7a_100000754086_100000211926 [0,0,0,0,0,0|2,0,0]=2 223 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [0,0,0,0,0,0|0,1,0]=1 224 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [0,0,0,0,0,0|0,1,0]=1 225 B10R1.17 OCCSc1ccccn1 62a_100000211926_100011216584 [0,0,0,0,0,0|1,1,0]=2 226 B10R1.17 OCCSc1ccccn1 62a_100011216584_100000211926 [0,0,0,0,0,0|1,1,0]=2 227 B10R1.17 OCCSc1cccnc1 62a_100000210063_100000211926 [0,0,0,0,0,0|1,1,0]=2 228 B10R1.17 OCCSc1cccnc1 62a_100000211926_100000210063 [0,0,0,0,0,0|1,1,0]=2 229 B10R1.17 OCCSc1cccnn1 62a_100000211926_100016991348 [0,0,0,0,0,0|2,1,0]=3 230 B10R1.17 OCCSc1cccnn1 62a_100016991348_100000211926 [0,0,0,0,0,0|2,1,0]=3 231 B10R1.17 OCCSc1ccncc1 62a_100000211926_100000728582 [0,0,0,0,0,0|1,1,0]=2 232 B10R1.17 OCCSc1ccncc1 62a_100000728582_100000211926 [0,0,0,0,0,0|1,1,0]=2 233 B10R1.17 OCCSc1ccncn1 62a_100000211926_100000703185 [0,0,0,0,0,0|2,1,0]=3 234 B10R1.17 OCCSc1ccncn1 62a_100000703185_100000211926 [0,0,0,0,0,0|2,1,0]=3 235 B10R1.17 OCCSc1ccnnc1 62a_100000211926_100000732662 [0,0,0,0,0,0|2,1,0]=3 236 B10R1.17 OCCSc1ccnnc1 62a_100000732662_100000211926 [0,0,0,0,0,0|2,1,0]=3 237 B10R1.17 OCCSc1cnccn1 62a_100000211759_100000211926 [0,0,0,0,0,0|2,1,0]=3 238 B10R1.17 OCCSc1cnccn1 62a_100000211926_100000211759 [0,0,0,0,0,0|2,1,0]=3 239 B10R1.17 OCCSc1cncnc1 62a_100000211926_100011206942 [0,0,0,0,0,0|2,1,0]=3 240 B10R1.17 OCCSc1cncnc1 62a_100011206942_100000211926 [0,0,0,0,0,0|2,1,0]=3 241 B10R1.17 OCCSc1cnnnc1 62a_100000211926_100009846058 [0,0,0,0,0,0|3,1,0]=4 242 B10R1.17 OCCSc1cnnnc1 62a_100009846058_100000211926 [0,0,0,0,0,0|3,1,0]=4 243 B10R1.17 OCCSc1ncccn1 62a_100000211032_100000211926 [0,0,0,0,0,0|2,1,0]=3 244 B10R1.17 OCCSc1ncccn1 62a_100000211926_100000211032 [0,0,0,0,0,0|2,1,0]=3 245 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [0,0,0,0,0,0|3,0,0]=3 246 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [0,0,0,0,0,0|3,0,0]=3 247 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [0,0,0,0,0,0|4,0,0]=4 248 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [0,0,0,0,0,0|3,0,0]=3 249 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [0,0,0,0,0,0|3,0,0]=3 250 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [0,0,0,0,0,0|4,0,0]=4 251 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [0,0,0,0,0,0|4,0,0]=4 252 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [0,0,0,0,0,0|4,0,0]=4 253 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [0,0,0,0,0,0|3,0,0]=3 254 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [0,0,0,0,0,0|3,0,0]=3 255 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [0,0,0,0,0,0|4,0,0]=4 256 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [0,0,0,0,0,0|4,0,0]=4 257 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [0,0,0,0,0,0|4,0,0]=4 258 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [0,0,0,0,0,0|4,0,0]=4 259 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [0,0,0,0,0,0|4,0,0]=4 260 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [0,0,0,0,0,0|4,0,0]=4 261 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [0,0,0,0,0,0|2,1,0]=3 262 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [0,0,0,0,0,0|2,1,0]=3 263 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [1,0,0,0,0,0|1,0,2]=4 264 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,0,0,0,0,0|1,0,1]=3 265 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,0,0,0,0,0|2,0,1]=4 266 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [1,0,0,0,0,0|2,0,1]=4 267 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [1,0,0,0,0,0|2,0,1]=4 268 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [1,0,0,0,0,0|1,0,0]=2 269 B9R1.8 CCNc1cccnn1 27a_100015525214_100016991348 [1,0,0,0,0,0|3,0,0]=4 270 B9R1.8 CCNc1ccncn1 27a_100015525214_100000703185 [1,0,0,0,0,0|3,0,0]=4 271 B9R1.8 CCNc1cnccn1 27a_100015525214_100000211759 [1,0,0,0,0,0|3,0,0]=4 272 B9R1.8 CCNc1ncccn1 27a_100015525214_100000211032 [1,0,0,0,0,0|3,0,0]=4 273 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,0,0,0,0,0|0,0,0]=1 274 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,0,0,0,0,0|0,0,0]=1 275 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [1,0,0,0,0,0|1,0,0]=2 276 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [1,0,0,0,0,0|1,0,0]=2 277 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [1,0,0,0,0,0|1,0,0]=2 278 B9R1.8 CCOc1ccnnc1 34a_100015204005_100000210202 [1,0,0,0,0,0|2,0,0]=3 279 B9R1.8 CCOc1cncnc1 7a_100000754086_100000210202 [1,0,0,0,0,0|2,0,0]=3 280 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [1,0,0,0,0,0|0,1,0]=2 281 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [1,0,0,0,0,0|0,1,0]=2 282 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [1,0,0,0,0,0|1,1,0]=3 283 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [1,0,0,0,0,0|1,1,0]=3 284 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [1,0,0,0,0,0|1,1,0]=3 285 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [1,0,0,0,0,0|1,1,0]=3 286 B9R1.8 CCSc1cccnn1 62a_100000210202_100016991348 [1,0,0,0,0,0|2,1,0]=4 287 B9R1.8 CCSc1cccnn1 62a_100016991348_100000210202 [1,0,0,0,0,0|2,1,0]=4 288 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [1,0,0,0,0,0|1,1,0]=3 289 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [1,0,0,0,0,0|1,1,0]=3 290 B9R1.8 CCSc1ccncn1 62a_100000210202_100000703185 [1,0,0,0,0,0|2,1,0]=4 291 B9R1.8 CCSc1ccncn1 62a_100000703185_100000210202 [1,0,0,0,0,0|2,1,0]=4 292 B9R1.8 CCSc1ccnnc1 62a_100000210202_100000732662 [1,0,0,0,0,0|2,1,0]=4 293 B9R1.8 CCSc1ccnnc1 62a_100000732662_100000210202 [1,0,0,0,0,0|2,1,0]=4 294 B9R1.8 CCSc1cnccn1 62a_100000210202_100000211759 [1,0,0,0,0,0|2,1,0]=4 295 B9R1.8 CCSc1cnccn1 62a_100000211759_100000210202 [1,0,0,0,0,0|2,1,0]=4 296 B9R1.8 CCSc1cncnc1 62a_100000210202_100011206942 [1,0,0,0,0,0|2,1,0]=4 297 B9R1.8 CCSc1cncnc1 62a_100011206942_100000210202 [1,0,0,0,0,0|2,1,0]=4 298 B9R1.8 CCSc1ncccn1 62a_100000210202_100000211032 [1,0,0,0,0,0|2,1,0]=4 299 B9R1.8 CCSc1ncccn1 62a_100000211032_100000210202 [1,0,0,0,0,0|2,1,0]=4 300 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,0,0,0,0,0|2,0,0]=3 301 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,0,0,0,0,0|2,0,0]=3 302 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,0,0,0,0,0|2,0,0]=3 303 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,0,0,0,0,0|2,0,0]=3 304 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,0,0,0,0,0|2,0,0]=3 305 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,0,0,0,0,0|2,0,0]=3 306 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,0,0,0,0,0|2,0,0]=3 307 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [1,0,0,0,0,0|3,0,0]=4 308 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [1,0,0,0,0,0|3,0,0]=4 309 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [1,0,0,0,0,0|3,0,0]=4 310 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [1,0,0,0,0,0|3,0,0]=4 311 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [1,0,0,0,0,0|3,0,0]=4 312 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [1,0,0,0,0,0|3,0,0]=4 313 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [1,0,0,0,0,0|3,0,0]=4 314 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [1,0,0,0,0,0|3,0,0]=4 315 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [1,0,0,0,0,0|3,0,0]=4 316 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [1,0,0,0,0,0|3,0,0]=4 317 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [1,0,0,0,0,0|3,0,0]=4 318 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [1,0,0,0,0,0|3,0,0]=4 319 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [1,0,0,0,0,0|3,0,0]=4 320 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,0,0,0,0,0|2,0,0]=3 321 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,0,0,0,0,0|2,0,0]=3 322 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,0,0,0,0,0|2,0,0]=3 323 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,0,0,0,0,0|3,0,0]=4 324 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [1,0,0,0,0,0|3,0,0]=4 325 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,0,0,0,0,0|2,0,0]=3 326 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,0,0,0,0,0|2,0,0]=3 327 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [1,0,0,0,0,0|3,0,0]=4 328 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [1,0,0,0,0,0|3,0,0]=4 329 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [1,0,0,0,0,0|3,0,0]=4 330 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [1,0,0,0,0,0|3,0,0]=4 331 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [1,0,0,0,0,0|3,0,0]=4 332 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [1,0,0,0,0,0|3,0,0]=4 333 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [1,0,0,0,0,0|2,0,0]=3 334 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [1,0,0,0,0,0|1,0,0]=2 335 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [1,0,0,0,0,0|1,0,0]=2 336 B9R1.8 FCOc1cccnc1 34a_100000210849_100015361967 [1,0,0,0,0,0|2,0,0]=3 337 B9R1.8 FCOc1cccnc1 7a_100000210849_100015361967 [1,0,0,0,0,0|2,0,0]=3 338 B9R1.8 FCOc1ccncc1 34a_100000212176_100015361967 [1,0,0,0,0,0|2,0,0]=3 339 B9R1.8 FCOc1ccnnc1 34a_100015204005_100015361967 [1,0,0,0,0,0|3,0,0]=4 340 B9R1.8 FCOc1cncnc1 7a_100000754086_100015361967 [1,0,0,0,0,0|3,0,0]=4 341 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [1,0,0,0,0,0|1,1,0]=3 342 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [1,0,0,0,0,0|1,1,0]=3 343 B9R1.8 FCSc1ccccn1 62a_100011216584_100015361967 [1,0,0,0,0,0|2,1,0]=4 344 B9R1.8 FCSc1ccccn1 62a_100015361967_100011216584 [1,0,0,0,0,0|2,1,0]=4 345 B9R1.8 FCSc1cccnc1 62a_100000210063_100015361967 [1,0,0,0,0,0|2,1,0]=4 346 B9R1.8 FCSc1cccnc1 62a_100015361967_100000210063 [1,0,0,0,0,0|2,1,0]=4 347 B9R1.8 FCSc1ccncc1 62a_100000728582_100015361967 [1,0,0,0,0,0|2,1,0]=4 348 B9R1.8 FCSc1ccncc1 62a_100015361967_100000728582 [1,0,0,0,0,0|2,1,0]=4 349 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,0,0,0,0,0|2,0,0]=3 350 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,0,0,0,0,0|2,0,0]=3 351 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,0,0,0,0,0|2,0,0]=3 352 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,0,0,0,0,0|2,0,0]=3 353 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,0,0,0,0,0|2,0,0]=3 354 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,0,0,0,0,0|2,0,0]=3 355 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [1,0,0,0,0,0|3,0,0]=4 356 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [1,0,0,0,0,0|3,0,0]=4 357 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [1,0,0,0,0,0|3,0,0]=4 358 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [1,0,0,0,0,0|3,0,0]=4 359 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [1,0,0,0,0,0|3,0,0]=4 360 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [1,0,0,0,0,0|3,0,0]=4 361 B11R1.1 C#CCNc1ccc(cc1)Br 2230a_100000210018_100000038162 [0,1,0,0,0,0|2,0,1]=4 362 B11R1.1 C#CCNc1ccc(cc1)Br 34a_100000210018_100000184674 [0,1,0,0,0,0|2,0,1]=4 363 B11R1.1 C#CCNc1ccc(cc1)C 34a_100000124888_100000184674 [0,1,0,0,0,0|2,0,1]=4 364 B11R1.1 C#CCNc1ccc(cc1)Cl 2230a_100000210052_100000038162 [0,1,0,0,0,0|2,0,1]=4 365 B11R1.1 C#CCNc1ccc(cc1)Cl 34a_100000210052_100000184674 [0,1,0,0,0,0|2,0,1]=4 366 B11R1.1 C#CCNc1ccc(cc1)F 34a_100000185862_100000184674 [0,1,0,0,0,0|2,0,1]=4 367 B11R1.1 C#CCNc1ccc(cc1)I 34a_100000185761_100000184674 [0,1,0,0,0,0|2,0,1]=4 368 B11R1.1 C#CCNc1ccc(cc1)O 34a_100000185829_100000184674 [0,1,0,0,0,0|2,0,1]=4 369 B11R1.1 C#CCOc1ccc(=O)[nH]c1 34a_100000075641_100000184674 [0,1,0,0,0,0|2,0,1]=4 370 B11R1.1 C#CCOc1ccc(cc1)Br 34a_100000185759_100000184674 [0,1,0,0,0,0|1,0,1]=3 371 B11R1.1 C#CCOc1ccc(cc1)Br 7a_100000185759_100000038162 [0,1,0,0,0,0|1,0,1]=3 372 B11R1.1 C#CCOc1ccc(cc1)C 34a_100000210336_100000184674 [0,1,0,0,0,0|1,0,1]=3 373 B11R1.1 C#CCOc1ccc(cc1)C 7a_100000210336_100000038162 [0,1,0,0,0,0|1,0,1]=3 374 B11R1.1 C#CCOc1ccc(cc1)Cl 34a_100000210216_100000184674 [0,1,0,0,0,0|1,0,1]=3 375 B11R1.1 C#CCOc1ccc(cc1)Cl 7a_100000210216_100000038162 [0,1,0,0,0,0|1,0,1]=3 376 B11R1.1 C#CCOc1ccc(cc1)F 34a_100000210339_100000184674 [0,1,0,0,0,0|1,0,1]=3 377 B11R1.1 C#CCOc1ccc(cc1)I 34a_100000212066_100000184674 [0,1,0,0,0,0|1,0,1]=3 378 B11R1.1 C#CCOc1ccc(cc1)I 7a_100000212066_100000038162 [0,1,0,0,0,0|1,0,1]=3 379 B11R1.1 C#CCOc1ccc(cc1)N 34a_100000185829_100000184674 [0,1,0,0,0,0|1,0,1]=3 380 B11R1.1 C#CCOc1ccc(cn1)C 34a_100000759353_100000184674 [0,1,0,0,0,0|2,0,1]=4 381 B11R1.1 C#CCOc1ccc(cn1)Cl 34a_100011215309_100000184674 [0,1,0,0,0,0|2,0,1]=4 382 B11R1.1 C#CCOc1ccc(cn1)F 34a_100000742473_100000184674 [0,1,0,0,0,0|2,0,1]=4 383 B11R1.1 C#CCOc1ccc(cn1)N 34a_100000729260_100000184674 [0,1,0,0,0,0|2,0,1]=4 384 B11R1.1 C#CCOc1ccc(nc1)Br 34a_100000685995_100000184674 [0,1,0,0,0,0|2,0,1]=4 385 B11R1.1 C#CCOc1ccc(nc1)Br 7a_100000685995_100000038162 [0,1,0,0,0,0|2,0,1]=4 386 B11R1.1 C#CCOc1ccc(nc1)C 34a_100000745506_100000184674 [0,1,0,0,0,0|2,0,1]=4 387 B11R1.1 C#CCOc1ccc(nc1)C 7a_100000745506_100000038162 [0,1,0,0,0,0|2,0,1]=4 388 B11R1.1 C#CCOc1ccc(nc1)Cl 34a_100000744096_100000184674 [0,1,0,0,0,0|2,0,1]=4 389 B11R1.1 C#CCOc1ccc(nc1)Cl 7a_100000744096_100000038162 [0,1,0,0,0,0|2,0,1]=4 390 B11R1.1 C#CCOc1ccc(nc1)F 34a_100000688820_100000184674 [0,1,0,0,0,0|2,0,1]=4 391 B11R1.1 C#CCOc1ccc(nc1)F 7a_100000688820_100000038162 [0,1,0,0,0,0|2,0,1]=4 392 B11R1.1 C#CCOc1ccc(nc1)I 34a_100000687607_100000184674 [0,1,0,0,0,0|2,0,1]=4 393 B11R1.1 C#CCOc1ccc(nc1)I 7a_100000687607_100000038162 [0,1,0,0,0,0|2,0,1]=4 394 B11R1.1 C#CCOc1ccc(nc1)N 34a_100015188713_100000184674 [0,1,0,0,0,0|2,0,1]=4 395 B11R1.1 C#CCOc1ccc(nc1)N 7a_100015188713_100000038162 [0,1,0,0,0,0|2,0,1]=4 396 B11R1.1 C#CCSc1ccc(cc1)Br 62a_100000038162_100000752885 [0,1,0,0,0,0|1,1,1]=4 397 B11R1.1 C#CCSc1ccc(cc1)C 62a_100000038162_100000186775 [0,1,0,0,0,0|1,1,1]=4 398 B11R1.1 C#CCSc1ccc(cc1)Cl 62a_100000038162_100000755918 [0,1,0,0,0,0|1,1,1]=4 399 B11R1.1 C#CCSc1ccc(cc1)F 62a_100000038162_100000211213 [0,1,0,0,0,0|1,1,1]=4 400 B11R1.1 C#CCSc1ccc(cc1)N 62a_100000038162_100000185761 [0,1,0,0,0,0|1,1,1]=4 401 B11R1.1 C#CCSc1ccc(cc1)O 62a_100000038162_100000185759 [0,1,0,0,0,0|1,1,1]=4 402 B11R1.1 C=CCNc1ccc(cc1)Br 2230a_100000210018_100000210623 [0,1,0,0,0,0|2,0,1]=4 403 B11R1.1 C=CCNc1ccc(cc1)Br 34a_100000210018_100015514636 [0,1,0,0,0,0|2,0,1]=4 404 B11R1.1 C=CCNc1ccc(cc1)C 34a_100000124888_100015514636 [0,1,0,0,0,0|2,0,1]=4 405 B11R1.1 C=CCNc1ccc(cc1)Cl 2230a_100000210052_100000210623 [0,1,0,0,0,0|2,0,1]=4 406 B11R1.1 C=CCNc1ccc(cc1)Cl 34a_100000210052_100015514636 [0,1,0,0,0,0|2,0,1]=4 407 B11R1.1 C=CCNc1ccc(cc1)F 34a_100000185862_100015514636 [0,1,0,0,0,0|2,0,1]=4 408 B11R1.1 C=CCNc1ccc(cc1)I 34a_100000185761_100015514636 [0,1,0,0,0,0|2,0,1]=4 409 B11R1.1 C=CCNc1ccc(cc1)O 34a_100000185829_100015514636 [0,1,0,0,0,0|2,0,1]=4 410 B11R1.1 C=CCOc1ccc(=O)[nH]c1 34a_100000075641_100015514636 [0,1,0,0,0,0|2,0,1]=4 411 B11R1.1 C=CCOc1ccc(cc1)Br 34a_100000185759_100015514636 [0,1,0,0,0,0|1,0,1]=3 412 B11R1.1 C=CCOc1ccc(cc1)Br 7a_100000185759_100015514636 [0,1,0,0,0,0|1,0,1]=3 413 B11R1.1 C=CCOc1ccc(cc1)C 34a_100000210336_100015514636 [0,1,0,0,0,0|1,0,1]=3 414 B11R1.1 C=CCOc1ccc(cc1)C 7a_100000210336_100015514636 [0,1,0,0,0,0|1,0,1]=3 415 B11R1.1 C=CCOc1ccc(cc1)Cl 34a_100000210216_100015514636 [0,1,0,0,0,0|1,0,1]=3 416 B11R1.1 C=CCOc1ccc(cc1)Cl 7a_100000210216_100015514636 [0,1,0,0,0,0|1,0,1]=3 417 B11R1.1 C=CCOc1ccc(cc1)F 34a_100000210339_100015514636 [0,1,0,0,0,0|1,0,1]=3 418 B11R1.1 C=CCOc1ccc(cc1)I 34a_100000212066_100015514636 [0,1,0,0,0,0|1,0,1]=3 419 B11R1.1 C=CCOc1ccc(cc1)I 7a_100000212066_100015514636 [0,1,0,0,0,0|1,0,1]=3 420 B11R1.1 C=CCOc1ccc(cc1)N 34a_100000185829_100015514636 [0,1,0,0,0,0|1,0,1]=3 421 B11R1.1 C=CCOc1ccc(cc1)O 271570a_203496583355_100000172055 [0,1,0,0,0,0|1,0,1]=3 422 B11R1.1 C=CCOc1ccc(cn1)C 34a_100000759353_100015514636 [0,1,0,0,0,0|2,0,1]=4 423 B11R1.1 C=CCOc1ccc(cn1)Cl 34a_100011215309_100015514636 [0,1,0,0,0,0|2,0,1]=4 424 B11R1.1 C=CCOc1ccc(cn1)F 34a_100000742473_100015514636 [0,1,0,0,0,0|2,0,1]=4 425 B11R1.1 C=CCOc1ccc(cn1)N 34a_100000729260_100015514636 [0,1,0,0,0,0|2,0,1]=4 426 B11R1.1 C=CCOc1ccc(nc1)Br 34a_100000685995_100015514636 [0,1,0,0,0,0|2,0,1]=4 427 B11R1.1 C=CCOc1ccc(nc1)Br 7a_100000685995_100015514636 [0,1,0,0,0,0|2,0,1]=4 428 B11R1.1 C=CCOc1ccc(nc1)C 34a_100000745506_100015514636 [0,1,0,0,0,0|2,0,1]=4 429 B11R1.1 C=CCOc1ccc(nc1)C 7a_100000745506_100015514636 [0,1,0,0,0,0|2,0,1]=4 430 B11R1.1 C=CCOc1ccc(nc1)Cl 34a_100000744096_100015514636 [0,1,0,0,0,0|2,0,1]=4 431 B11R1.1 C=CCOc1ccc(nc1)Cl 7a_100000744096_100015514636 [0,1,0,0,0,0|2,0,1]=4 432 B11R1.1 C=CCOc1ccc(nc1)F 34a_100000688820_100015514636 [0,1,0,0,0,0|2,0,1]=4 433 B11R1.1 C=CCOc1ccc(nc1)F 7a_100000688820_100015514636 [0,1,0,0,0,0|2,0,1]=4 434 B11R1.1 C=CCOc1ccc(nc1)I 34a_100000687607_100015514636 [0,1,0,0,0,0|2,0,1]=4 435 B11R1.1 C=CCOc1ccc(nc1)I 7a_100000687607_100015514636 [0,1,0,0,0,0|2,0,1]=4 436 B11R1.1 C=CCOc1ccc(nc1)N 34a_100015188713_100015514636 [0,1,0,0,0,0|2,0,1]=4 437 B11R1.1 C=CCOc1ccc(nc1)N 7a_100015188713_100015514636 [0,1,0,0,0,0|2,0,1]=4 438 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000210623_100000752885 [0,1,0,0,0,0|1,1,1]=4 439 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000752885_100000210623 [0,1,0,0,0,0|1,1,1]=4 440 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000186775_100000210623 [0,1,0,0,0,0|1,1,1]=4 441 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000210623_100000186775 [0,1,0,0,0,0|1,1,1]=4 442 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000210623_100000755918 [0,1,0,0,0,0|1,1,1]=4 443 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000755918_100000210623 [0,1,0,0,0,0|1,1,1]=4 444 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000210623_100000211213 [0,1,0,0,0,0|1,1,1]=4 445 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000211213_100000210623 [0,1,0,0,0,0|1,1,1]=4 446 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000185761_100000210623 [0,1,0,0,0,0|1,1,1]=4 447 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000210623_100000185761 [0,1,0,0,0,0|1,1,1]=4 448 B11R1.1 C=CCSc1ccc(cc1)O 62a_100000210623_100000185759 [0,1,0,0,0,0|1,1,1]=4 449 B11R1.1 CCCCc1cc[n+](cc1)[O-] 271570a_100020621405_100000039755 [0,1,0,0,0,0|3,0,0]=4 450 B11R1.1 CCCCc1ccc(=O)[nH]c1 271570a_100020621405_100000212171 [0,1,0,0,0,0|3,0,0]=4 451 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [0,1,0,0,0,0|2,0,0]=3 452 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [0,1,0,0,0,0|2,0,0]=3 453 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [0,1,0,0,0,0|2,0,0]=3 454 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [0,1,0,0,0,0|2,0,0]=3 455 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [0,1,0,0,0,0|2,0,0]=3 456 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [0,1,0,0,0,0|2,0,0]=3 457 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [0,1,0,0,0,0|2,0,0]=3 458 B11R1.1 CCCCc1ccc(cn1)Br 271570a_100020621405_100000686858 [0,1,0,0,0,0|3,0,0]=4 459 B11R1.1 CCCCc1ccc(cn1)C 271570a_100020621405_100000754016 [0,1,0,0,0,0|3,0,0]=4 460 B11R1.1 CCCCc1ccc(cn1)Cl 271570a_100020621405_100011356976 [0,1,0,0,0,0|3,0,0]=4 461 B11R1.1 CCCCc1ccc(cn1)F 271570a_100020621405_100000744514 [0,1,0,0,0,0|3,0,0]=4 462 B11R1.1 CCCCc1ccc(cn1)N 271570a_100020621405_100000744251 [0,1,0,0,0,0|3,0,0]=4 463 B11R1.1 CCCCc1ccc(cn1)O 271570a_100020621405_100000685995 [0,1,0,0,0,0|3,0,0]=4 464 B11R1.1 CCCCc1ccc(nc1)Br 271570a_100020621405_100009814638 [0,1,0,0,0,0|3,0,0]=4 465 B11R1.1 CCCCc1ccc(nc1)C 271570a_100020621405_100000751577 [0,1,0,0,0,0|3,0,0]=4 466 B11R1.1 CCCCc1ccc(nc1)Cl 271570a_100020621405_100000034144 [0,1,0,0,0,0|3,0,0]=4 467 B11R1.1 CCCCc1ccc(nc1)F 271570a_100020621405_100000748661 [0,1,0,0,0,0|3,0,0]=4 468 B11R1.1 CCCCc1ccc(nc1)N 271570a_100020621405_100000187370 [0,1,0,0,0,0|3,0,0]=4 469 B11R1.1 CCCNc1ccc(cc1)Br 2230a_100000210018_100000210303 [0,1,0,0,0,0|2,0,0]=3 470 B11R1.1 CCCNc1ccc(cc1)Br 34a_100000210018_100000210303 [0,1,0,0,0,0|2,0,0]=3 471 B11R1.1 CCCNc1ccc(cc1)C 34a_100000124888_100000210303 [0,1,0,0,0,0|2,0,0]=3 472 B11R1.1 CCCNc1ccc(cc1)Cl 2230a_100000210052_100000210303 [0,1,0,0,0,0|2,0,0]=3 473 B11R1.1 CCCNc1ccc(cc1)Cl 34a_100000210052_100000210303 [0,1,0,0,0,0|2,0,0]=3 474 B11R1.1 CCCNc1ccc(cc1)F 34a_100000185862_100000210303 [0,1,0,0,0,0|2,0,0]=3 475 B11R1.1 CCCNc1ccc(cc1)I 34a_100000185761_100000210303 [0,1,0,0,0,0|2,0,0]=3 476 B11R1.1 CCCNc1ccc(cc1)O 34a_100000185829_100000210303 [0,1,0,0,0,0|2,0,0]=3 477 B11R1.1 CCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210303 [0,1,0,0,0,0|2,0,0]=3 478 B11R1.1 CCCOc1ccc(cc1)Br 34a_100000185759_100000210303 [0,1,0,0,0,0|1,0,0]=2 479 B11R1.1 CCCOc1ccc(cc1)Br 7a_100000185759_100000210303 [0,1,0,0,0,0|1,0,0]=2 480 B11R1.1 CCCOc1ccc(cc1)C 34a_100000210336_100000210303 [0,1,0,0,0,0|1,0,0]=2 481 B11R1.1 CCCOc1ccc(cc1)C 7a_100000210336_100000210303 [0,1,0,0,0,0|1,0,0]=2 482 B11R1.1 CCCOc1ccc(cc1)Cl 34a_100000210216_100000210303 [0,1,0,0,0,0|1,0,0]=2 483 B11R1.1 CCCOc1ccc(cc1)Cl 7a_100000210216_100000210303 [0,1,0,0,0,0|1,0,0]=2 484 B11R1.1 CCCOc1ccc(cc1)F 34a_100000210339_100000210303 [0,1,0,0,0,0|1,0,0]=2 485 B11R1.1 CCCOc1ccc(cc1)I 34a_100000212066_100000210303 [0,1,0,0,0,0|1,0,0]=2 486 B11R1.1 CCCOc1ccc(cc1)I 7a_100000212066_100000210303 [0,1,0,0,0,0|1,0,0]=2 487 B11R1.1 CCCOc1ccc(cc1)N 34a_100000185829_100000210303 [0,1,0,0,0,0|1,0,0]=2 488 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [0,1,0,0,0,0|1,0,0]=2 489 B11R1.1 CCCOc1ccc(cn1)C 34a_100000759353_100000210303 [0,1,0,0,0,0|2,0,0]=3 490 B11R1.1 CCCOc1ccc(cn1)Cl 34a_100011215309_100000210303 [0,1,0,0,0,0|2,0,0]=3 491 B11R1.1 CCCOc1ccc(cn1)F 34a_100000742473_100000210303 [0,1,0,0,0,0|2,0,0]=3 492 B11R1.1 CCCOc1ccc(cn1)N 34a_100000729260_100000210303 [0,1,0,0,0,0|2,0,0]=3 493 B11R1.1 CCCOc1ccc(cn1)O 271570a_203496583355_100011465619 [0,1,0,0,0,0|2,0,0]=3 494 B11R1.1 CCCOc1ccc(nc1)Br 34a_100000685995_100000210303 [0,1,0,0,0,0|2,0,0]=3 495 B11R1.1 CCCOc1ccc(nc1)Br 7a_100000685995_100000210303 [0,1,0,0,0,0|2,0,0]=3 496 B11R1.1 CCCOc1ccc(nc1)C 34a_100000745506_100000210303 [0,1,0,0,0,0|2,0,0]=3 497 B11R1.1 CCCOc1ccc(nc1)C 7a_100000745506_100000210303 [0,1,0,0,0,0|2,0,0]=3 498 B11R1.1 CCCOc1ccc(nc1)Cl 34a_100000744096_100000210303 [0,1,0,0,0,0|2,0,0]=3 499 B11R1.1 CCCOc1ccc(nc1)Cl 7a_100000744096_100000210303 [0,1,0,0,0,0|2,0,0]=3 500 B11R1.1 CCCOc1ccc(nc1)F 34a_100000688820_100000210303 [0,1,0,0,0,0|2,0,0]=3 501 B11R1.1 CCCOc1ccc(nc1)F 7a_100000688820_100000210303 [0,1,0,0,0,0|2,0,0]=3 502 B11R1.1 CCCOc1ccc(nc1)I 34a_100000687607_100000210303 [0,1,0,0,0,0|2,0,0]=3 503 B11R1.1 CCCOc1ccc(nc1)I 7a_100000687607_100000210303 [0,1,0,0,0,0|2,0,0]=3 504 B11R1.1 CCCOc1ccc(nc1)N 34a_100015188713_100000210303 [0,1,0,0,0,0|2,0,0]=3 505 B11R1.1 CCCOc1ccc(nc1)N 7a_100015188713_100000210303 [0,1,0,0,0,0|2,0,0]=3 506 B11R1.1 CCCOc1ccc(nc1)O 271570a_203496583355_100000719977 [0,1,0,0,0,0|2,0,0]=3 507 B11R1.1 CCCOc1ccc(nn1)O 271570a_203496583355_200011279913 [0,1,0,0,0,0|3,0,0]=4 508 B11R1.1 CCCOc1cnc(cn1)Br 34a_100011934580_100000210303 [0,1,0,0,0,0|3,0,0]=4 509 B11R1.1 CCCOc1cnc(cn1)Cl 34a_100015839800_100000210303 [0,1,0,0,0,0|3,0,0]=4 510 B11R1.1 CCCOc1cnc(nc1)Br 34a_100000730009_100000210303 [0,1,0,0,0,0|3,0,0]=4 511 B11R1.1 CCCOc1cnc(nc1)Br 7a_100000730009_100000210303 [0,1,0,0,0,0|3,0,0]=4 512 B11R1.1 CCCOc1cnc(nc1)C 34a_100000062939_100000210303 [0,1,0,0,0,0|3,0,0]=4 513 B11R1.1 CCCOc1cnc(nc1)C 7a_100000062939_100000210303 [0,1,0,0,0,0|3,0,0]=4 514 B11R1.1 CCCOc1cnc(nc1)Cl 34a_100000092845_100000210303 [0,1,0,0,0,0|3,0,0]=4 515 B11R1.1 CCCOc1cnc(nc1)Cl 7a_100000092845_100000210303 [0,1,0,0,0,0|3,0,0]=4 516 B11R1.1 CCCOc1cnc(nc1)F 34a_200009874573_100000210303 [0,1,0,0,0,0|3,0,0]=4 517 B11R1.1 CCCOc1cnc(nc1)F 7a_200009874573_100000210303 [0,1,0,0,0,0|3,0,0]=4 518 B11R1.1 CCCOc1cnc(nc1)N 34a_100000087137_100000210303 [0,1,0,0,0,0|3,0,0]=4 519 B11R1.1 CCCOc1cnc(nc1)N 7a_100000087137_100000210303 [0,1,0,0,0,0|3,0,0]=4 520 B11R1.1 CCCOc1ncc(cn1)F 34a_100011934040_100000210303 [0,1,0,0,0,0|3,0,0]=4 521 B11R1.1 CCCSc1cc[n+](cc1)[O-] 62a_100000210303_100000039755 [0,1,0,0,0,0|2,1,0]=4 522 B11R1.1 CCCSc1ccc(=O)[nH]c1 62a_100000210303_100000212171 [0,1,0,0,0,0|2,1,0]=4 523 B11R1.1 CCCSc1ccc(=O)[nH]c1 62a_100000212171_100000210303 [0,1,0,0,0,0|2,1,0]=4 524 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000210303_100000752885 [0,1,0,0,0,0|1,1,0]=3 525 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000752885_100000210303 [0,1,0,0,0,0|1,1,0]=3 526 B11R1.1 CCCSc1ccc(cc1)C 62a_100000186775_100000210303 [0,1,0,0,0,0|1,1,0]=3 527 B11R1.1 CCCSc1ccc(cc1)C 62a_100000210303_100000186775 [0,1,0,0,0,0|1,1,0]=3 528 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000210303_100000755918 [0,1,0,0,0,0|1,1,0]=3 529 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000755918_100000210303 [0,1,0,0,0,0|1,1,0]=3 530 B11R1.1 CCCSc1ccc(cc1)F 62a_100000210303_100000211213 [0,1,0,0,0,0|1,1,0]=3 531 B11R1.1 CCCSc1ccc(cc1)F 62a_100000211213_100000210303 [0,1,0,0,0,0|1,1,0]=3 532 B11R1.1 CCCSc1ccc(cc1)N 62a_100000185761_100000210303 [0,1,0,0,0,0|1,1,0]=3 533 B11R1.1 CCCSc1ccc(cc1)N 62a_100000210303_100000185761 [0,1,0,0,0,0|1,1,0]=3 534 B11R1.1 CCCSc1ccc(cc1)O 271570a_203496583355_200009811899 [0,1,0,0,0,0|1,1,0]=3 535 B11R1.1 CCCSc1ccc(cc1)O 62a_100000210303_100000185759 [0,1,0,0,0,0|1,1,0]=3 536 B11R1.1 CCCSc1ccc(cn1)Br 62a_100000210303_100000686858 [0,1,0,0,0,0|2,1,0]=4 537 B11R1.1 CCCSc1ccc(cn1)Br 62a_100000686858_100000210303 [0,1,0,0,0,0|2,1,0]=4 538 B11R1.1 CCCSc1ccc(cn1)C 62a_100000210303_100000754016 [0,1,0,0,0,0|2,1,0]=4 539 B11R1.1 CCCSc1ccc(cn1)C 62a_100011192072_100000210303 [0,1,0,0,0,0|2,1,0]=4 540 B11R1.1 CCCSc1ccc(cn1)Cl 62a_100000210303_100011356976 [0,1,0,0,0,0|2,1,0]=4 541 B11R1.1 CCCSc1ccc(cn1)Cl 62a_100011356976_100000210303 [0,1,0,0,0,0|2,1,0]=4 542 B11R1.1 CCCSc1ccc(cn1)F 62a_100000210303_100000744514 [0,1,0,0,0,0|2,1,0]=4 543 B11R1.1 CCCSc1ccc(cn1)F 62a_100000744514_100000210303 [0,1,0,0,0,0|2,1,0]=4 544 B11R1.1 CCCSc1ccc(cn1)N 62a_100000210303_100000737798 [0,1,0,0,0,0|2,1,0]=4 545 B11R1.1 CCCSc1ccc(cn1)N 62a_100000737798_100000210303 [0,1,0,0,0,0|2,1,0]=4 546 B11R1.1 CCCSc1ccc(cn1)O 62a_100000210303_100000744096 [0,1,0,0,0,0|2,1,0]=4 547 B11R1.1 CCCSc1ccc(cn1)O 62a_100000685995_100000210303 [0,1,0,0,0,0|2,1,0]=4 548 B11R1.1 CCCSc1ccc(nc1)Br 62a_100000210303_100009814638 [0,1,0,0,0,0|2,1,0]=4 549 B11R1.1 CCCSc1ccc(nc1)Br 62a_100009814638_100000210303 [0,1,0,0,0,0|2,1,0]=4 550 B11R1.1 CCCSc1ccc(nc1)C 62a_100000210303_100000751577 [0,1,0,0,0,0|2,1,0]=4 551 B11R1.1 CCCSc1ccc(nc1)C 62a_100000751577_100000210303 [0,1,0,0,0,0|2,1,0]=4 552 B11R1.1 CCCSc1ccc(nc1)Cl 62a_100000034144_100000210303 [0,1,0,0,0,0|2,1,0]=4 553 B11R1.1 CCCSc1ccc(nc1)Cl 62a_100000210303_100000034144 [0,1,0,0,0,0|2,1,0]=4 554 B11R1.1 CCCSc1ccc(nc1)F 62a_100000042367_100000210303 [0,1,0,0,0,0|2,1,0]=4 555 B11R1.1 CCCSc1ccc(nc1)F 62a_100000210303_100000042367 [0,1,0,0,0,0|2,1,0]=4 556 B11R1.1 CCCSc1ccc(nc1)N 62a_100000187370_100000210303 [0,1,0,0,0,0|2,1,0]=4 557 B11R1.1 CCCSc1ccc(nc1)N 62a_100000210303_100000187370 [0,1,0,0,0,0|2,1,0]=4 558 B11R1.1 CCNCc1ccc(cc1)Br 207a_100015525214_100000186029 [0,1,0,0,0,0|3,0,0]=4 559 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100000174875_100000210202 [0,1,0,0,0,0|3,0,0]=4 560 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100015525214_100011217064 [0,1,0,0,0,0|3,0,0]=4 561 B11R1.1 CCNCc1ccc(cc1)Br 270004a_100015525214_100000186029 [0,1,0,0,0,0|3,0,0]=4 562 B11R1.1 CCNCc1ccc(cc1)Br 34a_100000174875_100000210202 [0,1,0,0,0,0|3,0,0]=4 563 B11R1.1 CCNCc1ccc(cc1)C 207a_100015525214_100000211033 [0,1,0,0,0,0|3,0,0]=4 564 B11R1.1 CCNCc1ccc(cc1)C 2230a_100000174908_100000210202 [0,1,0,0,0,0|3,0,0]=4 565 B11R1.1 CCNCc1ccc(cc1)C 2230a_100015525214_100000210814 [0,1,0,0,0,0|3,0,0]=4 566 B11R1.1 CCNCc1ccc(cc1)C 270004a_100015525214_100000211033 [0,1,0,0,0,0|3,0,0]=4 567 B11R1.1 CCNCc1ccc(cc1)C 34a_100000174908_100000210202 [0,1,0,0,0,0|3,0,0]=4 568 B11R1.1 CCNCc1ccc(cc1)Cl 207a_100015525214_100000189385 [0,1,0,0,0,0|3,0,0]=4 569 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210202 [0,1,0,0,0,0|3,0,0]=4 570 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100015525214_100000694040 [0,1,0,0,0,0|3,0,0]=4 571 B11R1.1 CCNCc1ccc(cc1)Cl 270004a_100015525214_100000189385 [0,1,0,0,0,0|3,0,0]=4 572 B11R1.1 CCNCc1ccc(cc1)Cl 34a_100000174871_100000210202 [0,1,0,0,0,0|3,0,0]=4 573 B11R1.1 CCNCc1ccc(cc1)F 207a_100015525214_100000210084 [0,1,0,0,0,0|3,0,0]=4 574 B11R1.1 CCNCc1ccc(cc1)F 2230a_100000174882_100000210202 [0,1,0,0,0,0|3,0,0]=4 575 B11R1.1 CCNCc1ccc(cc1)F 2230a_100015525214_100000198546 [0,1,0,0,0,0|3,0,0]=4 576 B11R1.1 CCNCc1ccc(cc1)F 270004a_100015525214_100000210084 [0,1,0,0,0,0|3,0,0]=4 577 B11R1.1 CCNCc1ccc(cc1)F 34a_100000174882_100000210202 [0,1,0,0,0,0|3,0,0]=4 578 B11R1.1 CCNCc1ccc(cc1)I 207a_100015525214_100000188517 [0,1,0,0,0,0|3,0,0]=4 579 B11R1.1 CCNCc1ccc(cc1)I 2230a_100015525214_100000189116 [0,1,0,0,0,0|3,0,0]=4 580 B11R1.1 CCNCc1ccc(cc1)I 2230a_100016989417_100000210202 [0,1,0,0,0,0|3,0,0]=4 581 B11R1.1 CCNCc1ccc(cc1)I 34a_100016989417_100000210202 [0,1,0,0,0,0|3,0,0]=4 582 B11R1.1 CCNCc1ccc(cc1)O 271570a_203496583355_100000187385 [0,1,0,0,0,0|3,0,0]=4 583 B11R1.1 CCNCc1ccc(cc1)O 34a_100000185549_100000210202 [0,1,0,0,0,0|3,0,0]=4 584 B11R1.1 CCOCc1ccc(cc1)Br 34a_100000695286_100000210202 [0,1,0,0,0,0|3,0,0]=4 585 B11R1.1 CCOCc1ccc(cc1)Br 34a_100121572206_100000189115 [0,1,0,0,0,0|3,0,0]=4 586 B11R1.1 CCOCc1ccc(cc1)C 34a_100011215236_100000210202 [0,1,0,0,0,0|3,0,0]=4 587 B11R1.1 CCOCc1ccc(cc1)C 34a_100121572206_100000210814 [0,1,0,0,0,0|3,0,0]=4 588 B11R1.1 CCOCc1ccc(cc1)C 7a_100011215236_100000210202 [0,1,0,0,0,0|3,0,0]=4 589 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100000211118_100000210202 [0,1,0,0,0,0|3,0,0]=4 590 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100121572206_100000694040 [0,1,0,0,0,0|3,0,0]=4 591 B11R1.1 CCOCc1ccc(cc1)Cl 7a_100000211118_100000210202 [0,1,0,0,0,0|3,0,0]=4 592 B11R1.1 CCOCc1ccc(cc1)F 34a_100000210977_100000210202 [0,1,0,0,0,0|3,0,0]=4 593 B11R1.1 CCOCc1ccc(cc1)F 34a_100121572206_100000198546 [0,1,0,0,0,0|3,0,0]=4 594 B11R1.1 CCOCc1ccc(cc1)F 7a_100000210977_100000210202 [0,1,0,0,0,0|3,0,0]=4 595 B11R1.1 CCOCc1ccc(cc1)I 34a_100000690907_100000210202 [0,1,0,0,0,0|3,0,0]=4 596 B11R1.1 CCOCc1ccc(cc1)I 34a_100121572206_100000189116 [0,1,0,0,0,0|3,0,0]=4 597 B11R1.1 CCOCc1ccc(cc1)I 7a_100000690907_100000210202 [0,1,0,0,0,0|3,0,0]=4 598 B11R1.1 CCOCc1ccc(cc1)N 34a_100011215238_100000210202 [0,1,0,0,0,0|3,0,0]=4 599 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [0,1,0,0,0,0|3,0,0]=4 600 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000189115_100000210202 [0,1,0,0,0,0|3,0,0]=4 601 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000210202_100000189115 [0,1,0,0,0,0|3,0,0]=4 602 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210202_100000210814 [0,1,0,0,0,0|3,0,0]=4 603 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210814_100000210202 [0,1,0,0,0,0|3,0,0]=4 604 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000187161_100000210202 [0,1,0,0,0,0|3,0,0]=4 605 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000210202_100000187161 [0,1,0,0,0,0|3,0,0]=4 606 B11R1.1 CCSCc1ccc(cc1)F 62a_100000198546_100000210202 [0,1,0,0,0,0|3,0,0]=4 607 B11R1.1 CCSCc1ccc(cc1)F 62a_100000210202_100000187164 [0,1,0,0,0,0|3,0,0]=4 608 B11R1.1 CCSCc1ccc(cc1)I 62a_100000189116_100000210202 [0,1,0,0,0,0|3,0,0]=4 609 B11R1.1 CCSCc1ccc(cc1)I 62a_100000210202_100000189116 [0,1,0,0,0,0|3,0,0]=4 610 B11R1.1 CNCCc1ccc(cc1)Br 2230a_100000755846_200000210301 [0,1,0,0,0,0|3,0,0]=4 611 B11R1.1 CNCCc1ccc(cc1)Br 2230a_106832991635_100011740612 [0,1,0,0,0,0|3,0,0]=4 612 B11R1.1 CNCCc1ccc(cc1)Br 34a_100000755846_200000210301 [0,1,0,0,0,0|3,0,0]=4 613 B11R1.1 CNCCc1ccc(cc1)Br 34a_100102657272_100011740612 [0,1,0,0,0,0|3,0,0]=4 614 B11R1.1 CNCCc1ccc(cc1)Br 7a_106832991635_100011740612 [0,1,0,0,0,0|3,0,0]=4 615 B11R1.1 CNCCc1ccc(cc1)C 2230a_100000705350_200000210301 [0,1,0,0,0,0|3,0,0]=4 616 B11R1.1 CNCCc1ccc(cc1)C 2230a_106832991635_100011713686 [0,1,0,0,0,0|3,0,0]=4 617 B11R1.1 CNCCc1ccc(cc1)C 34a_100000705350_200000210301 [0,1,0,0,0,0|3,0,0]=4 618 B11R1.1 CNCCc1ccc(cc1)C 34a_100102657272_100011713686 [0,1,0,0,0,0|3,0,0]=4 619 B11R1.1 CNCCc1ccc(cc1)C 7a_106832991635_100011713686 [0,1,0,0,0,0|3,0,0]=4 620 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_100000185265_200000210301 [0,1,0,0,0,0|3,0,0]=4 621 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_106832991635_100011713675 [0,1,0,0,0,0|3,0,0]=4 622 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100000185265_200000210301 [0,1,0,0,0,0|3,0,0]=4 623 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100102657272_100011713675 [0,1,0,0,0,0|3,0,0]=4 624 B11R1.1 CNCCc1ccc(cc1)Cl 7a_106832991635_100011713675 [0,1,0,0,0,0|3,0,0]=4 625 B11R1.1 CNCCc1ccc(cc1)F 2230a_100000199005_200000210301 [0,1,0,0,0,0|3,0,0]=4 626 B11R1.1 CNCCc1ccc(cc1)F 2230a_106832991635_100011217392 [0,1,0,0,0,0|3,0,0]=4 627 B11R1.1 CNCCc1ccc(cc1)F 34a_100000199005_200000210301 [0,1,0,0,0,0|3,0,0]=4 628 B11R1.1 CNCCc1ccc(cc1)F 34a_100102657272_100011217392 [0,1,0,0,0,0|3,0,0]=4 629 B11R1.1 CNCCc1ccc(cc1)F 7a_106832991635_100011217392 [0,1,0,0,0,0|3,0,0]=4 630 B11R1.1 CNCCc1ccc(cc1)O 2230a_106832991635_100009816426 [0,1,0,0,0,0|3,0,0]=4 631 B11R1.1 CNCCc1ccc(cc1)O 271570a_203496583355_100000752880 [0,1,0,0,0,0|3,0,0]=4 632 B11R1.1 CNCCc1ccc(cc1)O 34a_100000743037_200000210301 [0,1,0,0,0,0|3,0,0]=4 633 B11R1.1 CNCCc1ccc(cc1)O 7a_106832991635_100009816426 [0,1,0,0,0,0|3,0,0]=4 634 B11R1.1 COCCc1ccc(cc1)Br 34a_100000766406_200000210301 [0,1,0,0,0,0|3,0,0]=4 635 B11R1.1 COCCc1ccc(cc1)Br 34a_100138415774_100011740612 [0,1,0,0,0,0|3,0,0]=4 636 B11R1.1 COCCc1ccc(cc1)Br 7a_100000766406_200000210301 [0,1,0,0,0,0|3,0,0]=4 637 B11R1.1 COCCc1ccc(cc1)C 34a_100000756670_200000210301 [0,1,0,0,0,0|3,0,0]=4 638 B11R1.1 COCCc1ccc(cc1)C 34a_100138415774_100011713686 [0,1,0,0,0,0|3,0,0]=4 639 B11R1.1 COCCc1ccc(cc1)C 7a_100000756670_200000210301 [0,1,0,0,0,0|3,0,0]=4 640 B11R1.1 COCCc1ccc(cc1)Cl 34a_100011219627_200000210301 [0,1,0,0,0,0|3,0,0]=4 641 B11R1.1 COCCc1ccc(cc1)Cl 34a_100138415774_100011713675 [0,1,0,0,0,0|3,0,0]=4 642 B11R1.1 COCCc1ccc(cc1)Cl 7a_100011219627_200000210301 [0,1,0,0,0,0|3,0,0]=4 643 B11R1.1 COCCc1ccc(cc1)F 34a_100000754732_200000210301 [0,1,0,0,0,0|3,0,0]=4 644 B11R1.1 COCCc1ccc(cc1)F 34a_100138415774_100011217392 [0,1,0,0,0,0|3,0,0]=4 645 B11R1.1 COCCc1ccc(cc1)F 7a_100000754732_200000210301 [0,1,0,0,0,0|3,0,0]=4 646 B11R1.1 COCCc1ccc(cc1)I 34a_100012291149_200000210301 [0,1,0,0,0,0|3,0,0]=4 647 B11R1.1 COCCc1ccc(cc1)I 7a_100012291149_200000210301 [0,1,0,0,0,0|3,0,0]=4 648 B11R1.1 COCCc1ccc(cc1)N 34a_100011204434_200000210301 [0,1,0,0,0,0|3,0,0]=4 649 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [0,1,0,0,0,0|3,0,0]=4 650 B11R1.1 COCNc1ccc(cc1)Br 2230a_100000210018_100000766300 [0,1,0,0,0,0|3,0,0]=4 651 B11R1.1 COCNc1ccc(cc1)Cl 2230a_100000210052_100000766300 [0,1,0,0,0,0|3,0,0]=4 652 B11R1.1 COCOc1ccc(cc1)O 271570a_203496583355_100012265687 [0,1,0,0,0,0|2,0,0]=3 653 B11R1.1 COCOc1ccc(nc1)O 271570a_203496583355_100012568617 [0,1,0,0,0,0|3,0,0]=4 654 B11R1.1 COCSc1ccc(cc1)Br 62a_100000752885_100000766300 [0,1,0,0,0,0|2,1,0]=4 655 B11R1.1 COCSc1ccc(cc1)Br 62a_100000766300_100000752885 [0,1,0,0,0,0|2,1,0]=4 656 B11R1.1 COCSc1ccc(cc1)C 62a_100000186775_100000766300 [0,1,0,0,0,0|2,1,0]=4 657 B11R1.1 COCSc1ccc(cc1)C 62a_100000766300_100000186775 [0,1,0,0,0,0|2,1,0]=4 658 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000755918_100000766300 [0,1,0,0,0,0|2,1,0]=4 659 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000766300_100000755918 [0,1,0,0,0,0|2,1,0]=4 660 B11R1.1 COCSc1ccc(cc1)F 62a_100000211213_100000766300 [0,1,0,0,0,0|2,1,0]=4 661 B11R1.1 COCSc1ccc(cc1)F 62a_100000766300_100000211213 [0,1,0,0,0,0|2,1,0]=4 662 B11R1.1 COCSc1ccc(cc1)N 62a_100000185761_100000766300 [0,1,0,0,0,0|2,1,0]=4 663 B11R1.1 COCSc1ccc(cc1)N 62a_100000766300_100000185761 [0,1,0,0,0,0|2,1,0]=4 664 B11R1.1 COCSc1ccc(cc1)O 62a_100000766300_100000185759 [0,1,0,0,0,0|2,1,0]=4 665 B11R1.1 CSCCc1ccc(cc1)Br 62a_100011740612_200000210301 [0,1,0,0,0,0|3,0,0]=4 666 B11R1.1 CSCCc1ccc(cc1)Br 62a_200000210301_100011740612 [0,1,0,0,0,0|3,0,0]=4 667 B11R1.1 CSCCc1ccc(cc1)C 62a_100011713686_200000210301 [0,1,0,0,0,0|3,0,0]=4 668 B11R1.1 CSCCc1ccc(cc1)C 62a_200000210301_100011713686 [0,1,0,0,0,0|3,0,0]=4 669 B11R1.1 CSCCc1ccc(cc1)Cl 62a_100011713675_200000210301 [0,1,0,0,0,0|3,0,0]=4 670 B11R1.1 CSCCc1ccc(cc1)Cl 62a_200000210301_100011713675 [0,1,0,0,0,0|3,0,0]=4 671 B11R1.1 CSCCc1ccc(cc1)F 62a_100011217392_200000210301 [0,1,0,0,0,0|3,0,0]=4 672 B11R1.1 CSCCc1ccc(cc1)F 62a_200000210301_100011217392 [0,1,0,0,0,0|3,0,0]=4 673 B11R1.1 CSCCc1ccc(cc1)O 62a_100009816426_200000210301 [0,1,0,0,0,0|3,0,0]=4 674 B11R1.1 CSCCc1ccc(cc1)O 62a_200000210301_100009816426 [0,1,0,0,0,0|3,0,0]=4 675 B11R1.1 CSCNc1ccc(cc1)Br 2230a_100000210018_100011218213 [0,1,0,0,0,0|3,0,0]=4 676 B11R1.1 CSCNc1ccc(cc1)Br 34a_100000210018_100011218213 [0,1,0,0,0,0|3,0,0]=4 677 B11R1.1 CSCNc1ccc(cc1)C 34a_100000124888_100011218213 [0,1,0,0,0,0|3,0,0]=4 678 B11R1.1 CSCNc1ccc(cc1)Cl 2230a_100000210052_100011218213 [0,1,0,0,0,0|3,0,0]=4 679 B11R1.1 CSCNc1ccc(cc1)Cl 34a_100000210052_100011218213 [0,1,0,0,0,0|3,0,0]=4 680 B11R1.1 CSCNc1ccc(cc1)F 34a_100000185862_100011218213 [0,1,0,0,0,0|3,0,0]=4 681 B11R1.1 CSCNc1ccc(cc1)I 34a_100000185761_100011218213 [0,1,0,0,0,0|3,0,0]=4 682 B11R1.1 CSCNc1ccc(cc1)O 34a_100000185829_100011218213 [0,1,0,0,0,0|3,0,0]=4 683 B11R1.1 CSCOc1ccc(=O)[nH]c1 34a_100000075641_100011218213 [0,1,0,0,0,0|3,0,0]=4 684 B11R1.1 CSCOc1ccc(cc1)Br 34a_100000185759_100011218213 [0,1,0,0,0,0|2,0,0]=3 685 B11R1.1 CSCOc1ccc(cc1)C 34a_100000210336_100011218213 [0,1,0,0,0,0|2,0,0]=3 686 B11R1.1 CSCOc1ccc(cc1)Cl 34a_100000210216_100011218213 [0,1,0,0,0,0|2,0,0]=3 687 B11R1.1 CSCOc1ccc(cc1)F 34a_100000210339_100011218213 [0,1,0,0,0,0|2,0,0]=3 688 B11R1.1 CSCOc1ccc(cc1)I 34a_100000212066_100011218213 [0,1,0,0,0,0|2,0,0]=3 689 B11R1.1 CSCOc1ccc(cc1)N 34a_100000185829_100011218213 [0,1,0,0,0,0|2,0,0]=3 690 B11R1.1 CSCOc1ccc(cn1)C 34a_100000759353_100011218213 [0,1,0,0,0,0|3,0,0]=4 691 B11R1.1 CSCOc1ccc(cn1)Cl 34a_100011215309_100011218213 [0,1,0,0,0,0|3,0,0]=4 692 B11R1.1 CSCOc1ccc(cn1)F 34a_100000742473_100011218213 [0,1,0,0,0,0|3,0,0]=4 693 B11R1.1 CSCOc1ccc(cn1)N 34a_100000729260_100011218213 [0,1,0,0,0,0|3,0,0]=4 694 B11R1.1 CSCOc1ccc(nc1)Br 34a_100000685995_100011218213 [0,1,0,0,0,0|3,0,0]=4 695 B11R1.1 CSCOc1ccc(nc1)C 34a_100000745506_100011218213 [0,1,0,0,0,0|3,0,0]=4 696 B11R1.1 CSCOc1ccc(nc1)Cl 34a_100000744096_100011218213 [0,1,0,0,0,0|3,0,0]=4 697 B11R1.1 CSCOc1ccc(nc1)F 34a_100000688820_100011218213 [0,1,0,0,0,0|3,0,0]=4 698 B11R1.1 CSCOc1ccc(nc1)I 34a_100000687607_100011218213 [0,1,0,0,0,0|3,0,0]=4 699 B11R1.1 CSCOc1ccc(nc1)N 34a_100015188713_100011218213 [0,1,0,0,0,0|3,0,0]=4 700 B11R1.1 CSCSc1ccc(cc1)Br 62a_100000752885_100011218213 [0,1,0,0,0,0|2,1,0]=4 701 B11R1.1 CSCSc1ccc(cc1)Br 62a_100011218213_100000752885 [0,1,0,0,0,0|2,1,0]=4 702 B11R1.1 CSCSc1ccc(cc1)C 62a_100000186775_100011218213 [0,1,0,0,0,0|2,1,0]=4 703 B11R1.1 CSCSc1ccc(cc1)C 62a_100011218213_100000186775 [0,1,0,0,0,0|2,1,0]=4 704 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100000755918_100011218213 [0,1,0,0,0,0|2,1,0]=4 705 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100011218213_100000755918 [0,1,0,0,0,0|2,1,0]=4 706 B11R1.1 CSCSc1ccc(cc1)F 62a_100000211213_100011218213 [0,1,0,0,0,0|2,1,0]=4 707 B11R1.1 CSCSc1ccc(cc1)F 62a_100011218213_100000211213 [0,1,0,0,0,0|2,1,0]=4 708 B11R1.1 CSCSc1ccc(cc1)N 62a_100000185761_100011218213 [0,1,0,0,0,0|2,1,0]=4 709 B11R1.1 CSCSc1ccc(cc1)N 62a_100011218213_100000185761 [0,1,0,0,0,0|2,1,0]=4 710 B11R1.1 CSCSc1ccc(cc1)O 62a_100011218213_100000185759 [0,1,0,0,0,0|2,1,0]=4 711 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 2230a_100000705350_200025704644 [0,1,0,0,0,0|3,0,0]=4 712 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 34a_100000705350_200025704644 [0,1,0,0,0,0|3,0,0]=4 713 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 34a_100000756670_200025704644 [0,1,0,0,0,0|3,0,0]=4 714 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 7a_100000756670_200025704644 [0,1,0,0,0,0|3,0,0]=4 715 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_100011713686_200025704644 [0,1,0,0,0,0|3,0,0]=4 716 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713686 [0,1,0,0,0,0|3,0,0]=4 717 B11R1.1 Cc1ccc(cc1)CNCF 34a_100000174908_100015361967 [0,1,0,0,0,0|3,0,0]=4 718 B11R1.1 Cc1ccc(cc1)COCF 34a_100011215236_100015361967 [0,1,0,0,0,0|3,0,0]=4 719 B11R1.1 Cc1ccc(cc1)COCF 7a_100011215236_100015361967 [0,1,0,0,0,0|3,0,0]=4 720 B11R1.1 Cc1ccc(cc1)CSCF 62a_100000210814_100015361967 [0,1,0,0,0,0|3,0,0]=4 721 B11R1.1 Cc1ccc(cc1)CSCF 62a_100015361967_100000210814 [0,1,0,0,0,0|3,0,0]=4 722 B11R1.1 Cc1ccc(cc1)NCC=O 34a_100000124888_200009817547 [0,1,0,0,0,0|1,0,2]=4 723 B11R1.1 Cc1ccc(cc1)NCCF 34a_100000124888_100011217306 [0,1,0,0,0,0|2,0,0]=3 724 B11R1.1 Cc1ccc(cc1)NCCO 34a_100000124888_100000211926 [0,1,0,0,0,0|1,0,0]=2 725 B11R1.1 Cc1ccc(cc1)OCC#N 7a_100000210336_100011215382 [0,1,0,0,0,0|1,0,1]=3 726 B11R1.1 Cc1ccc(cc1)OCC=O 34a_100000210336_200009817547 [0,1,0,0,0,0|0,0,2]=3 727 B11R1.1 Cc1ccc(cc1)OCC=O 7a_100000210336_200015260668 [0,1,0,0,0,0|0,0,2]=3 728 B11R1.1 Cc1ccc(cc1)OCCF 34a_100000210336_100011217306 [0,1,0,0,0,0|1,0,0]=2 729 B11R1.1 Cc1ccc(cc1)OCCF 7a_100000210336_100011217306 [0,1,0,0,0,0|1,0,0]=2 730 B11R1.1 Cc1ccc(cc1)OCCO 34a_100000210336_100000211926 [0,1,0,0,0,0|0,0,0]=1 731 B11R1.1 Cc1ccc(cc1)OCCO 7a_100000210336_100000211926 [0,1,0,0,0,0|0,0,0]=1 732 B11R1.1 Cc1ccc(cc1)SCC#N 62a_100000186775_100011215382 [0,1,0,0,0,0|1,1,1]=4 733 B11R1.1 Cc1ccc(cc1)SCC#N 62a_100011215382_100000186775 [0,1,0,0,0,0|1,1,1]=4 734 B11R1.1 Cc1ccc(cc1)SCC=O 62a_100000186775_200015260668 [0,1,0,0,0,0|0,1,2]=4 735 B11R1.1 Cc1ccc(cc1)SCC=O 62a_200015260668_100000186775 [0,1,0,0,0,0|0,1,2]=4 736 B11R1.1 Cc1ccc(cc1)SCCF 62a_100000186775_100011217306 [0,1,0,0,0,0|1,1,0]=3 737 B11R1.1 Cc1ccc(cc1)SCCF 62a_100011217306_100000186775 [0,1,0,0,0,0|1,1,0]=3 738 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000186775_100000211926 [0,1,0,0,0,0|0,1,0]=2 739 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000211926_100000186775 [0,1,0,0,0,0|0,1,0]=2 740 B11R1.1 Cc1ccc(cn1)OCC#N 7a_100000745506_100011215382 [0,1,0,0,0,0|2,0,1]=4 741 B11R1.1 Cc1ccc(cn1)OCC=O 34a_100000745506_200009817547 [0,1,0,0,0,0|1,0,2]=4 742 B11R1.1 Cc1ccc(cn1)OCC=O 7a_100000745506_200015260668 [0,1,0,0,0,0|1,0,2]=4 743 B11R1.1 Cc1ccc(cn1)OCCF 34a_100000745506_100011217306 [0,1,0,0,0,0|2,0,0]=3 744 B11R1.1 Cc1ccc(cn1)OCCF 7a_100000745506_100011217306 [0,1,0,0,0,0|2,0,0]=3 745 B11R1.1 Cc1ccc(cn1)OCCO 34a_100000745506_100000211926 [0,1,0,0,0,0|1,0,0]=2 746 B11R1.1 Cc1ccc(cn1)OCCO 7a_100000745506_100000211926 [0,1,0,0,0,0|1,0,0]=2 747 B11R1.1 Cc1ccc(cn1)SCCF 62a_100000751577_100011217306 [0,1,0,0,0,0|2,1,0]=4 748 B11R1.1 Cc1ccc(cn1)SCCF 62a_100011217306_100000751577 [0,1,0,0,0,0|2,1,0]=4 749 B11R1.1 Cc1ccc(cn1)SCCO 62a_100000211926_100000751577 [0,1,0,0,0,0|1,1,0]=3 750 B11R1.1 Cc1ccc(cn1)SCCO 62a_100000751577_100000211926 [0,1,0,0,0,0|1,1,0]=3 751 B11R1.1 Cc1ccc(nc1)OCC=O 34a_100000759353_200009817547 [0,1,0,0,0,0|1,0,2]=4 752 B11R1.1 Cc1ccc(nc1)OCCF 34a_100000759353_100011217306 [0,1,0,0,0,0|2,0,0]=3 753 B11R1.1 Cc1ccc(nc1)OCCO 34a_100000759353_100000211926 [0,1,0,0,0,0|1,0,0]=2 754 B11R1.1 Cc1ccc(nc1)SCCF 62a_100011192072_100011217306 [0,1,0,0,0,0|2,1,0]=4 755 B11R1.1 Cc1ccc(nc1)SCCF 62a_100011217306_100000754016 [0,1,0,0,0,0|2,1,0]=4 756 B11R1.1 Cc1ccc(nc1)SCCO 62a_100000211926_100000754016 [0,1,0,0,0,0|1,1,0]=3 757 B11R1.1 Cc1ccc(nc1)SCCO 62a_100011192072_100000211926 [0,1,0,0,0,0|1,1,0]=3 758 B11R1.1 Cc1ccc(nn1)NCCO 27a_100000210304_100000744512 [0,1,0,0,0,0|3,0,0]=4 759 B11R1.1 Cc1ccc(nn1)SCCO 62a_100000211926_100000744512 [0,1,0,0,0,0|2,1,0]=4 760 B11R1.1 Cc1ccc(nn1)SCCO 62a_100000744512_100000211926 [0,1,0,0,0,0|2,1,0]=4 761 B11R1.1 Cc1cnc(cn1)NCCO 27a_100000210304_100000074397 [0,1,0,0,0,0|3,0,0]=4 762 B11R1.1 Cc1cnc(cn1)SCCO 62a_100000211926_100011999403 [0,1,0,0,0,0|2,1,0]=4 763 B11R1.1 Cc1cnc(cn1)SCCO 62a_100011999403_100000211926 [0,1,0,0,0,0|2,1,0]=4 764 B11R1.1 Cc1cnc(nc1)NCCO 27a_100000210304_100000061069 [0,1,0,0,0,0|3,0,0]=4 765 B11R1.1 Cc1cnc(nc1)SCCO 62a_100000061069_100000211926 [0,1,0,0,0,0|2,1,0]=4 766 B11R1.1 Cc1cnc(nc1)SCCO 62a_100000211926_100000061069 [0,1,0,0,0,0|2,1,0]=4 767 B11R1.1 Cc1ncc(cn1)OCCF 34a_100000062939_100011217306 [0,1,0,0,0,0|3,0,0]=4 768 B11R1.1 Cc1ncc(cn1)OCCF 7a_100000062939_100011217306 [0,1,0,0,0,0|3,0,0]=4 769 B11R1.1 Cc1ncc(cn1)OCCO 34a_100000062939_100000211926 [0,1,0,0,0,0|2,0,0]=3 770 B11R1.1 Cc1ncc(cn1)OCCO 7a_100000062939_100000211926 [0,1,0,0,0,0|2,0,0]=3 771 B11R1.1 Cc1ncc(cn1)SCCO 62a_100000211926_100000686985 [0,1,0,0,0,0|2,1,0]=4 772 B11R1.1 Cc1ncc(cn1)SCCO 62a_100000686985_100000211926 [0,1,0,0,0,0|2,1,0]=4 773 B11R1.1 FCCNc1ccc(cc1)Br 2230a_100000210018_100011217306 [0,1,0,0,0,0|2,0,0]=3 774 B11R1.1 FCCNc1ccc(cc1)Br 34a_100000210018_100011217306 [0,1,0,0,0,0|2,0,0]=3 775 B11R1.1 FCCNc1ccc(cc1)Cl 2230a_100000210052_100011217306 [0,1,0,0,0,0|2,0,0]=3 776 B11R1.1 FCCNc1ccc(cc1)Cl 34a_100000210052_100011217306 [0,1,0,0,0,0|2,0,0]=3 777 B11R1.1 FCCNc1ccc(cc1)F 34a_100000185862_100011217306 [0,1,0,0,0,0|2,0,0]=3 778 B11R1.1 FCCNc1ccc(cc1)I 34a_100000185761_100011217306 [0,1,0,0,0,0|2,0,0]=3 779 B11R1.1 FCCOc1ccc(cc1)Br 34a_100000185759_100011217306 [0,1,0,0,0,0|1,0,0]=2 780 B11R1.1 FCCOc1ccc(cc1)Br 7a_100000185759_100011217306 [0,1,0,0,0,0|1,0,0]=2 781 B11R1.1 FCCOc1ccc(cc1)Cl 34a_100000210216_100011217306 [0,1,0,0,0,0|1,0,0]=2 782 B11R1.1 FCCOc1ccc(cc1)Cl 7a_100000210216_100011217306 [0,1,0,0,0,0|1,0,0]=2 783 B11R1.1 FCCOc1ccc(cc1)F 34a_100000210339_100011217306 [0,1,0,0,0,0|1,0,0]=2 784 B11R1.1 FCCOc1ccc(cc1)I 34a_100000212066_100011217306 [0,1,0,0,0,0|1,0,0]=2 785 B11R1.1 FCCOc1ccc(cc1)I 7a_100000212066_100011217306 [0,1,0,0,0,0|1,0,0]=2 786 B11R1.1 FCCOc1ccc(cn1)Cl 34a_100011215309_100011217306 [0,1,0,0,0,0|2,0,0]=3 787 B11R1.1 FCCOc1ccc(cn1)F 34a_100000742473_100011217306 [0,1,0,0,0,0|2,0,0]=3 788 B11R1.1 FCCOc1ccc(nc1)Br 34a_100000685995_100011217306 [0,1,0,0,0,0|2,0,0]=3 789 B11R1.1 FCCOc1ccc(nc1)Br 7a_100000685995_100011217306 [0,1,0,0,0,0|2,0,0]=3 790 B11R1.1 FCCOc1ccc(nc1)Cl 34a_100000744096_100011217306 [0,1,0,0,0,0|2,0,0]=3 791 B11R1.1 FCCOc1ccc(nc1)Cl 7a_100000744096_100011217306 [0,1,0,0,0,0|2,0,0]=3 792 B11R1.1 FCCOc1ccc(nc1)F 34a_100000688820_100011217306 [0,1,0,0,0,0|2,0,0]=3 793 B11R1.1 FCCOc1ccc(nc1)F 7a_100000688820_100011217306 [0,1,0,0,0,0|2,0,0]=3 794 B11R1.1 FCCOc1ccc(nc1)I 34a_100000687607_100011217306 [0,1,0,0,0,0|2,0,0]=3 795 B11R1.1 FCCOc1ccc(nc1)I 7a_100000687607_100011217306 [0,1,0,0,0,0|2,0,0]=3 796 B11R1.1 FCCOc1cnc(cn1)Br 34a_100011934580_100011217306 [0,1,0,0,0,0|3,0,0]=4 797 B11R1.1 FCCOc1cnc(cn1)Cl 34a_100015839800_100011217306 [0,1,0,0,0,0|3,0,0]=4 798 B11R1.1 FCCOc1cnc(nc1)Br 34a_100000730009_100011217306 [0,1,0,0,0,0|3,0,0]=4 799 B11R1.1 FCCOc1cnc(nc1)Br 7a_100000730009_100011217306 [0,1,0,0,0,0|3,0,0]=4 800 B11R1.1 FCCOc1cnc(nc1)Cl 34a_100000092845_100011217306 [0,1,0,0,0,0|3,0,0]=4 801 B11R1.1 FCCOc1cnc(nc1)Cl 7a_100000092845_100011217306 [0,1,0,0,0,0|3,0,0]=4 802 B11R1.1 FCCOc1cnc(nc1)F 34a_200009874573_100011217306 [0,1,0,0,0,0|3,0,0]=4 803 B11R1.1 FCCOc1cnc(nc1)F 7a_200009874573_100011217306 [0,1,0,0,0,0|3,0,0]=4 804 B11R1.1 FCCOc1ncc(cn1)F 34a_100011934040_100011217306 [0,1,0,0,0,0|3,0,0]=4 805 B11R1.1 FCCSc1ccc(cc1)Br 62a_100000752885_100011217306 [0,1,0,0,0,0|1,1,0]=3 806 B11R1.1 FCCSc1ccc(cc1)Br 62a_100011217306_100000752885 [0,1,0,0,0,0|1,1,0]=3 807 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100000755918_100011217306 [0,1,0,0,0,0|1,1,0]=3 808 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100011217306_100000755918 [0,1,0,0,0,0|1,1,0]=3 809 B11R1.1 FCCSc1ccc(cc1)F 62a_100000211213_100011217306 [0,1,0,0,0,0|1,1,0]=3 810 B11R1.1 FCCSc1ccc(cc1)F 62a_100011217306_100000211213 [0,1,0,0,0,0|1,1,0]=3 811 B11R1.1 FCCSc1ccc(cn1)Br 62a_100000686858_100011217306 [0,1,0,0,0,0|2,1,0]=4 812 B11R1.1 FCCSc1ccc(cn1)Br 62a_100011217306_100000686858 [0,1,0,0,0,0|2,1,0]=4 813 B11R1.1 FCCSc1ccc(cn1)Cl 62a_100011217306_100011356976 [0,1,0,0,0,0|2,1,0]=4 814 B11R1.1 FCCSc1ccc(cn1)Cl 62a_100011356976_100011217306 [0,1,0,0,0,0|2,1,0]=4 815 B11R1.1 FCCSc1ccc(cn1)F 62a_100000744514_100011217306 [0,1,0,0,0,0|2,1,0]=4 816 B11R1.1 FCCSc1ccc(cn1)F 62a_100011217306_100000744514 [0,1,0,0,0,0|2,1,0]=4 817 B11R1.1 FCCSc1ccc(nc1)Br 62a_100009814638_100011217306 [0,1,0,0,0,0|2,1,0]=4 818 B11R1.1 FCCSc1ccc(nc1)Br 62a_100011217306_100009814638 [0,1,0,0,0,0|2,1,0]=4 819 B11R1.1 FCCSc1ccc(nc1)Cl 62a_100000034144_100011217306 [0,1,0,0,0,0|2,1,0]=4 820 B11R1.1 FCCSc1ccc(nc1)Cl 62a_100011217306_100000034144 [0,1,0,0,0,0|2,1,0]=4 821 B11R1.1 FCCSc1ccc(nc1)F 62a_100000042367_100011217306 [0,1,0,0,0,0|2,1,0]=4 822 B11R1.1 FCCSc1ccc(nc1)F 62a_100011217306_100000042367 [0,1,0,0,0,0|2,1,0]=4 823 B11R1.1 FCNCc1ccc(cc1)Br 34a_100000174875_100015361967 [0,1,0,0,0,0|3,0,0]=4 824 B11R1.1 FCNCc1ccc(cc1)Cl 34a_100000174871_100015361967 [0,1,0,0,0,0|3,0,0]=4 825 B11R1.1 FCNCc1ccc(cc1)F 34a_100000174882_100015361967 [0,1,0,0,0,0|3,0,0]=4 826 B11R1.1 FCNCc1ccc(cc1)I 34a_100016989417_100015361967 [0,1,0,0,0,0|3,0,0]=4 827 B11R1.1 FCOCc1ccc(cc1)Br 34a_100000695286_100015361967 [0,1,0,0,0,0|3,0,0]=4 828 B11R1.1 FCOCc1ccc(cc1)Cl 34a_100000211118_100015361967 [0,1,0,0,0,0|3,0,0]=4 829 B11R1.1 FCOCc1ccc(cc1)Cl 7a_100000211118_100015361967 [0,1,0,0,0,0|3,0,0]=4 830 B11R1.1 FCOCc1ccc(cc1)F 34a_100000210977_100015361967 [0,1,0,0,0,0|3,0,0]=4 831 B11R1.1 FCOCc1ccc(cc1)F 7a_100000210977_100015361967 [0,1,0,0,0,0|3,0,0]=4 832 B11R1.1 FCOCc1ccc(cc1)I 34a_100000690907_100015361967 [0,1,0,0,0,0|3,0,0]=4 833 B11R1.1 FCOCc1ccc(cc1)I 7a_100000690907_100015361967 [0,1,0,0,0,0|3,0,0]=4 834 B11R1.1 FCSCc1ccc(cc1)Br 62a_100000189115_100015361967 [0,1,0,0,0,0|3,0,0]=4 835 B11R1.1 FCSCc1ccc(cc1)Br 62a_100015361967_100000189115 [0,1,0,0,0,0|3,0,0]=4 836 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100000187161_100015361967 [0,1,0,0,0,0|3,0,0]=4 837 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100015361967_100000187161 [0,1,0,0,0,0|3,0,0]=4 838 B11R1.1 FCSCc1ccc(cc1)F 62a_100000198546_100015361967 [0,1,0,0,0,0|3,0,0]=4 839 B11R1.1 FCSCc1ccc(cc1)F 62a_100015361967_100000187164 [0,1,0,0,0,0|3,0,0]=4 840 B11R1.1 FCSCc1ccc(cc1)I 62a_100000189116_100015361967 [0,1,0,0,0,0|3,0,0]=4 841 B11R1.1 FCSCc1ccc(cc1)I 62a_100015361967_100000189116 [0,1,0,0,0,0|3,0,0]=4 842 B11R1.1 N#CCCc1ccc(cc1)O 271570a_203496583355_100011216407 [0,1,0,0,0,0|2,0,1]=4 843 B11R1.1 N#CCNc1ccc(cc1)Br 2230a_100000210018_100011215382 [0,1,0,0,0,0|2,0,1]=4 844 B11R1.1 N#CCNc1ccc(cc1)Cl 2230a_100000210052_100011215382 [0,1,0,0,0,0|2,0,1]=4 845 B11R1.1 N#CCOc1ccc(cc1)Br 7a_100000185759_100011215382 [0,1,0,0,0,0|1,0,1]=3 846 B11R1.1 N#CCOc1ccc(cc1)Cl 7a_100000210216_100011215382 [0,1,0,0,0,0|1,0,1]=3 847 B11R1.1 N#CCOc1ccc(cc1)I 7a_100000212066_100011215382 [0,1,0,0,0,0|1,0,1]=3 848 B11R1.1 N#CCOc1ccc(cc1)O 271570a_203496583355_200000169425 [0,1,0,0,0,0|1,0,1]=3 849 B11R1.1 N#CCOc1ccc(nc1)Br 7a_100000685995_100011215382 [0,1,0,0,0,0|2,0,1]=4 850 B11R1.1 N#CCOc1ccc(nc1)Cl 7a_100000744096_100011215382 [0,1,0,0,0,0|2,0,1]=4 851 B11R1.1 N#CCOc1ccc(nc1)F 7a_100000688820_100011215382 [0,1,0,0,0,0|2,0,1]=4 852 B11R1.1 N#CCOc1ccc(nc1)I 7a_100000687607_100011215382 [0,1,0,0,0,0|2,0,1]=4 853 B11R1.1 N#CCOc1ccc(nc1)N 7a_100015188713_100011215382 [0,1,0,0,0,0|2,0,1]=4 854 B11R1.1 N#CCSc1ccc(cc1)Br 62a_100000752885_100011215382 [0,1,0,0,0,0|1,1,1]=4 855 B11R1.1 N#CCSc1ccc(cc1)Br 62a_100011215382_100000752885 [0,1,0,0,0,0|1,1,1]=4 856 B11R1.1 N#CCSc1ccc(cc1)Cl 62a_100000755918_100011215382 [0,1,0,0,0,0|1,1,1]=4 857 B11R1.1 N#CCSc1ccc(cc1)Cl 62a_100011215382_100000755918 [0,1,0,0,0,0|1,1,1]=4 858 B11R1.1 N#CCSc1ccc(cc1)F 62a_100000211213_100011215382 [0,1,0,0,0,0|1,1,1]=4 859 B11R1.1 N#CCSc1ccc(cc1)F 62a_100011215382_100000211213 [0,1,0,0,0,0|1,1,1]=4 860 B11R1.1 N#CCSc1ccc(cc1)N 62a_100000185761_100011215382 [0,1,0,0,0,0|1,1,1]=4 861 B11R1.1 N#CCSc1ccc(cc1)N 62a_100011215382_100000185761 [0,1,0,0,0,0|1,1,1]=4 862 B11R1.1 N#CCSc1ccc(cc1)O 62a_100011215382_100000185759 [0,1,0,0,0,0|1,1,1]=4 863 B11R1.1 NCCCc1ccc(cc1)O 271570a_203496583355_100011297623 [0,1,0,0,0,0|2,0,0]=3 864 B11R1.1 NCCNc1ccc(cn1)O 271570a_203496583355_200011214600 [0,1,0,0,0,0|3,0,0]=4 865 B11R1.1 NCCOc1ccc(cc1)O 271570a_203496583355_100000746992 [0,1,0,0,0,0|1,0,0]=2 866 B11R1.1 NCCSc1ccc(cc1)O 271570a_203496583355_100000184645 [0,1,0,0,0,0|1,1,0]=3 867 B11R1.1 Nc1ccc(cc1)COCF 34a_100011215238_100015361967 [0,1,0,0,0,0|3,0,0]=4 868 B11R1.1 Nc1ccc(cc1)OCC=O 34a_100000185829_200009817547 [0,1,0,0,0,0|0,0,2]=3 869 B11R1.1 Nc1ccc(cc1)OCCF 34a_100000185829_100011217306 [0,1,0,0,0,0|1,0,0]=2 870 B11R1.1 Nc1ccc(cc1)OCCO 34a_100000185829_100000211926 [0,1,0,0,0,0|0,0,0]=1 871 B11R1.1 Nc1ccc(cc1)SCC=O 62a_100000185761_200015260668 [0,1,0,0,0,0|0,1,2]=4 872 B11R1.1 Nc1ccc(cc1)SCC=O 62a_200015260668_100000185761 [0,1,0,0,0,0|0,1,2]=4 873 B11R1.1 Nc1ccc(cc1)SCCF 62a_100000185761_100011217306 [0,1,0,0,0,0|1,1,0]=3 874 B11R1.1 Nc1ccc(cc1)SCCF 62a_100011217306_100000185761 [0,1,0,0,0,0|1,1,0]=3 875 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000185761_100000211926 [0,1,0,0,0,0|0,1,0]=2 876 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000211926_100000185761 [0,1,0,0,0,0|0,1,0]=2 877 B11R1.1 Nc1ccc(cn1)OCC=O 34a_100015188713_200009817547 [0,1,0,0,0,0|1,0,2]=4 878 B11R1.1 Nc1ccc(cn1)OCC=O 7a_100015188713_200015260668 [0,1,0,0,0,0|1,0,2]=4 879 B11R1.1 Nc1ccc(cn1)OCCF 34a_100015188713_100011217306 [0,1,0,0,0,0|2,0,0]=3 880 B11R1.1 Nc1ccc(cn1)OCCF 7a_100015188713_100011217306 [0,1,0,0,0,0|2,0,0]=3 881 B11R1.1 Nc1ccc(cn1)OCCO 34a_100015188713_100000211926 [0,1,0,0,0,0|1,0,0]=2 882 B11R1.1 Nc1ccc(cn1)OCCO 7a_100015188713_100000211926 [0,1,0,0,0,0|1,0,0]=2 883 B11R1.1 Nc1ccc(cn1)SCCF 62a_100000187370_100011217306 [0,1,0,0,0,0|2,1,0]=4 884 B11R1.1 Nc1ccc(cn1)SCCF 62a_100011217306_100000187370 [0,1,0,0,0,0|2,1,0]=4 885 B11R1.1 Nc1ccc(cn1)SCCO 62a_100000187370_100000211926 [0,1,0,0,0,0|1,1,0]=3 886 B11R1.1 Nc1ccc(cn1)SCCO 62a_100000211926_100000187370 [0,1,0,0,0,0|1,1,0]=3 887 B11R1.1 Nc1ccc(nc1)OCC=O 34a_100000729260_200009817547 [0,1,0,0,0,0|1,0,2]=4 888 B11R1.1 Nc1ccc(nc1)OCCF 34a_100000729260_100011217306 [0,1,0,0,0,0|2,0,0]=3 889 B11R1.1 Nc1ccc(nc1)OCCO 34a_100000729260_100000211926 [0,1,0,0,0,0|1,0,0]=2 890 B11R1.1 Nc1ccc(nc1)SCCF 62a_100000737798_100011217306 [0,1,0,0,0,0|2,1,0]=4 891 B11R1.1 Nc1ccc(nc1)SCCF 62a_100011217306_100000737798 [0,1,0,0,0,0|2,1,0]=4 892 B11R1.1 Nc1ccc(nc1)SCCO 62a_100000211926_100000737798 [0,1,0,0,0,0|1,1,0]=3 893 B11R1.1 Nc1ccc(nc1)SCCO 62a_100000737798_100000211926 [0,1,0,0,0,0|1,1,0]=3 894 B11R1.1 Nc1ccc(nn1)SCCO 62a_100000211926_100010219413 [0,1,0,0,0,0|2,1,0]=4 895 B11R1.1 Nc1ccc(nn1)SCCO 62a_100010219413_100000211926 [0,1,0,0,0,0|2,1,0]=4 896 B11R1.1 Nc1cnc(cn1)SCCO 62a_100000211926_100000744751 [0,1,0,0,0,0|2,1,0]=4 897 B11R1.1 Nc1cnc(cn1)SCCO 62a_100000744751_100000211926 [0,1,0,0,0,0|2,1,0]=4 898 B11R1.1 Nc1cnc(nc1)SCCO 62a_100000068403_100000211926 [0,1,0,0,0,0|2,1,0]=4 899 B11R1.1 Nc1cnc(nc1)SCCO 62a_100000211926_100000068403 [0,1,0,0,0,0|2,1,0]=4 900 B11R1.1 Nc1ncc(cn1)OCCF 34a_100000087137_100011217306 [0,1,0,0,0,0|3,0,0]=4 901 B11R1.1 Nc1ncc(cn1)OCCF 7a_100000087137_100011217306 [0,1,0,0,0,0|3,0,0]=4 902 B11R1.1 Nc1ncc(cn1)OCCO 34a_100000087137_100000211926 [0,1,0,0,0,0|2,0,0]=3 903 B11R1.1 Nc1ncc(cn1)OCCO 7a_100000087137_100000211926 [0,1,0,0,0,0|2,0,0]=3 904 B11R1.1 Nc1ncc(cn1)SCCO 62a_100000211926_100000766020 [0,1,0,0,0,0|2,1,0]=4 905 B11R1.1 Nc1ncc(cn1)SCCO 62a_100000766020_100000211926 [0,1,0,0,0,0|2,1,0]=4 906 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [0,1,0,0,0,0|1,0,2]=4 907 B11R1.1 O=CCNc1ccc(cc1)Br 2230a_100000210018_200015260668 [0,1,0,0,0,0|1,0,2]=4 908 B11R1.1 O=CCNc1ccc(cc1)Br 34a_100000210018_200009817547 [0,1,0,0,0,0|1,0,2]=4 909 B11R1.1 O=CCNc1ccc(cc1)Cl 2230a_100000210052_200015260668 [0,1,0,0,0,0|1,0,2]=4 910 B11R1.1 O=CCNc1ccc(cc1)Cl 34a_100000210052_200009817547 [0,1,0,0,0,0|1,0,2]=4 911 B11R1.1 O=CCNc1ccc(cc1)F 34a_100000185862_200009817547 [0,1,0,0,0,0|1,0,2]=4 912 B11R1.1 O=CCNc1ccc(cc1)I 34a_100000185761_200009817547 [0,1,0,0,0,0|1,0,2]=4 913 B11R1.1 O=CCNc1ccc(cc1)O 34a_100000185829_200009817547 [0,1,0,0,0,0|1,0,2]=4 914 B11R1.1 O=CCOc1ccc(=O)[nH]c1 34a_100000075641_200009817547 [0,1,0,0,0,0|1,0,2]=4 915 B11R1.1 O=CCOc1ccc(cc1)Br 34a_100000185759_200009817547 [0,1,0,0,0,0|0,0,2]=3 916 B11R1.1 O=CCOc1ccc(cc1)Br 7a_100000185759_200015260668 [0,1,0,0,0,0|0,0,2]=3 917 B11R1.1 O=CCOc1ccc(cc1)Cl 34a_100000210216_200009817547 [0,1,0,0,0,0|0,0,2]=3 918 B11R1.1 O=CCOc1ccc(cc1)Cl 7a_100000210216_200015260668 [0,1,0,0,0,0|0,0,2]=3 919 B11R1.1 O=CCOc1ccc(cc1)F 34a_100000210339_200009817547 [0,1,0,0,0,0|0,0,2]=3 920 B11R1.1 O=CCOc1ccc(cc1)I 34a_100000212066_200009817547 [0,1,0,0,0,0|0,0,2]=3 921 B11R1.1 O=CCOc1ccc(cc1)I 7a_100000212066_200015260668 [0,1,0,0,0,0|0,0,2]=3 922 B11R1.1 O=CCOc1ccc(cn1)Cl 34a_100011215309_200009817547 [0,1,0,0,0,0|1,0,2]=4 923 B11R1.1 O=CCOc1ccc(cn1)F 34a_100000742473_200009817547 [0,1,0,0,0,0|1,0,2]=4 924 B11R1.1 O=CCOc1ccc(nc1)Br 34a_100000685995_200009817547 [0,1,0,0,0,0|1,0,2]=4 925 B11R1.1 O=CCOc1ccc(nc1)Br 7a_100000685995_200015260668 [0,1,0,0,0,0|1,0,2]=4 926 B11R1.1 O=CCOc1ccc(nc1)Cl 34a_100000744096_200009817547 [0,1,0,0,0,0|1,0,2]=4 927 B11R1.1 O=CCOc1ccc(nc1)Cl 7a_100000744096_200015260668 [0,1,0,0,0,0|1,0,2]=4 928 B11R1.1 O=CCOc1ccc(nc1)F 34a_100000688820_200009817547 [0,1,0,0,0,0|1,0,2]=4 929 B11R1.1 O=CCOc1ccc(nc1)F 7a_100000688820_200015260668 [0,1,0,0,0,0|1,0,2]=4 930 B11R1.1 O=CCOc1ccc(nc1)I 34a_100000687607_200009817547 [0,1,0,0,0,0|1,0,2]=4 931 B11R1.1 O=CCOc1ccc(nc1)I 7a_100000687607_200015260668 [0,1,0,0,0,0|1,0,2]=4 932 B11R1.1 O=CCSc1ccc(cc1)Br 62a_100000752885_200015260668 [0,1,0,0,0,0|0,1,2]=4 933 B11R1.1 O=CCSc1ccc(cc1)Br 62a_200015260668_100000752885 [0,1,0,0,0,0|0,1,2]=4 934 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_100000755918_200015260668 [0,1,0,0,0,0|0,1,2]=4 935 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_200015260668_100000755918 [0,1,0,0,0,0|0,1,2]=4 936 B11R1.1 O=CCSc1ccc(cc1)F 62a_100000211213_200015260668 [0,1,0,0,0,0|0,1,2]=4 937 B11R1.1 O=CCSc1ccc(cc1)F 62a_200015260668_100000211213 [0,1,0,0,0,0|0,1,2]=4 938 B11R1.1 O=CCSc1ccc(cc1)O 62a_200015260668_100000185759 [0,1,0,0,0,0|0,1,2]=4 939 B11R1.1 O=c1ccc(c[nH]1)OCCF 34a_100000075641_100011217306 [0,1,0,0,0,0|2,0,0]=3 940 B11R1.1 O=c1ccc(c[nH]1)OCCO 34a_100000075641_100000211926 [0,1,0,0,0,0|1,0,0]=2 941 B11R1.1 O=c1ccc(c[nH]1)SCCF 62a_100000212171_100011217306 [0,1,0,0,0,0|2,1,0]=4 942 B11R1.1 O=c1ccc(c[nH]1)SCCF 62a_100011217306_100000212171 [0,1,0,0,0,0|2,1,0]=4 943 B11R1.1 O=c1ccc(c[nH]1)SCCO 62a_100000211926_100000212171 [0,1,0,0,0,0|1,1,0]=3 944 B11R1.1 O=c1ccc(c[nH]1)SCCO 62a_100000212171_100000211926 [0,1,0,0,0,0|1,1,0]=3 945 B11R1.1 O=c1ccc(n[nH]1)SCCO 62a_100000211926_100009820020 [0,1,0,0,0,0|2,1,0]=4 946 B11R1.1 O=c1ccc(n[nH]1)SCCO 62a_100009820020_100000211926 [0,1,0,0,0,0|2,1,0]=4 947 B11R1.1 O=c1ncc(c[nH]1)SCCO 62a_100000211926_102495366499 [0,1,0,0,0,0|2,1,0]=4 948 B11R1.1 O=c1ncc(c[nH]1)SCCO 62a_102495366499_100000211926 [0,1,0,0,0,0|2,1,0]=4 949 B11R1.1 OCC#Cc1ccc(cc1)O 271570a_203496583355_100009814260 [0,1,0,0,0,0|1,0,1]=3 950 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [0,1,0,0,0,0|1,0,0]=2 951 B11R1.1 OCCNc1ccc(cc1)Br 2230a_100000210018_100000211926 [0,1,0,0,0,0|1,0,0]=2 952 B11R1.1 OCCNc1ccc(cc1)Br 34a_100000210018_100000211926 [0,1,0,0,0,0|1,0,0]=2 953 B11R1.1 OCCNc1ccc(cc1)Cl 2230a_100000210052_100000211926 [0,1,0,0,0,0|1,0,0]=2 954 B11R1.1 OCCNc1ccc(cc1)Cl 34a_100000210052_100000211926 [0,1,0,0,0,0|1,0,0]=2 955 B11R1.1 OCCNc1ccc(cc1)F 34a_100000185862_100000211926 [0,1,0,0,0,0|1,0,0]=2 956 B11R1.1 OCCNc1ccc(cc1)I 34a_100000185761_100000211926 [0,1,0,0,0,0|1,0,0]=2 957 B11R1.1 OCCNc1ccc(cc1)O 34a_100000185829_100000211926 [0,1,0,0,0,0|1,0,0]=2 958 B11R1.1 OCCNc1ccc(cn1)Br 27a_100000210304_100000686858 [0,1,0,0,0,0|2,0,0]=3 959 B11R1.1 OCCNc1ccc(nn1)O 271570a_203496583355_100000767036 [0,1,0,0,0,0|3,0,0]=4 960 B11R1.1 OCCNc1cnc(cn1)Br 27a_100000210304_100010187541 [0,1,0,0,0,0|3,0,0]=4 961 B11R1.1 OCCNc1cnc(cn1)F 27a_100000210304_100009856528 [0,1,0,0,0,0|3,0,0]=4 962 B11R1.1 OCCNc1ncc(cn1)Br 27a_100000210304_100000690281 [0,1,0,0,0,0|3,0,0]=4 963 B11R1.1 OCCNc1ncc(cn1)Cl 27a_100000210304_100011356929 [0,1,0,0,0,0|3,0,0]=4 964 B11R1.1 OCCNc1ncc(cn1)F 27a_100000210304_100000685220 [0,1,0,0,0,0|3,0,0]=4 965 B11R1.1 OCCOc1ccc(cc1)Br 34a_100000185759_100000211926 [0,1,0,0,0,0|0,0,0]=1 966 B11R1.1 OCCOc1ccc(cc1)Br 7a_100000185759_100000211926 [0,1,0,0,0,0|0,0,0]=1 967 B11R1.1 OCCOc1ccc(cc1)Cl 34a_100000210216_100000211926 [0,1,0,0,0,0|0,0,0]=1 968 B11R1.1 OCCOc1ccc(cc1)Cl 7a_100000210216_100000211926 [0,1,0,0,0,0|0,0,0]=1 969 B11R1.1 OCCOc1ccc(cc1)F 34a_100000210339_100000211926 [0,1,0,0,0,0|0,0,0]=1 970 B11R1.1 OCCOc1ccc(cc1)I 34a_100000212066_100000211926 [0,1,0,0,0,0|0,0,0]=1 971 B11R1.1 OCCOc1ccc(cc1)I 7a_100000212066_100000211926 [0,1,0,0,0,0|0,0,0]=1 972 B11R1.1 OCCOc1ccc(cc1)O 271570a_203496583355_100000686261 [0,1,0,0,0,0|0,0,0]=1 973 B11R1.1 OCCOc1ccc(cn1)Cl 34a_100011215309_100000211926 [0,1,0,0,0,0|1,0,0]=2 974 B11R1.1 OCCOc1ccc(cn1)F 34a_100000742473_100000211926 [0,1,0,0,0,0|1,0,0]=2 975 B11R1.1 OCCOc1ccc(nc1)Br 34a_100000685995_100000211926 [0,1,0,0,0,0|1,0,0]=2 976 B11R1.1 OCCOc1ccc(nc1)Br 7a_100000685995_100000211926 [0,1,0,0,0,0|1,0,0]=2 977 B11R1.1 OCCOc1ccc(nc1)Cl 34a_100000744096_100000211926 [0,1,0,0,0,0|1,0,0]=2 978 B11R1.1 OCCOc1ccc(nc1)Cl 7a_100000744096_100000211926 [0,1,0,0,0,0|1,0,0]=2 979 B11R1.1 OCCOc1ccc(nc1)F 34a_100000688820_100000211926 [0,1,0,0,0,0|1,0,0]=2 980 B11R1.1 OCCOc1ccc(nc1)F 7a_100000688820_100000211926 [0,1,0,0,0,0|1,0,0]=2 981 B11R1.1 OCCOc1ccc(nc1)I 34a_100000687607_100000211926 [0,1,0,0,0,0|1,0,0]=2 982 B11R1.1 OCCOc1ccc(nc1)I 7a_100000687607_100000211926 [0,1,0,0,0,0|1,0,0]=2 983 B11R1.1 OCCOc1ccc(nc1)O 271570a_203496583355_200013150534 [0,1,0,0,0,0|1,0,0]=2 984 B11R1.1 OCCOc1cnc(cn1)Br 34a_100011934580_100000211926 [0,1,0,0,0,0|2,0,0]=3 985 B11R1.1 OCCOc1cnc(cn1)Cl 34a_100015839800_100000211926 [0,1,0,0,0,0|2,0,0]=3 986 B11R1.1 OCCOc1cnc(nc1)Br 34a_100000730009_100000211926 [0,1,0,0,0,0|2,0,0]=3 987 B11R1.1 OCCOc1cnc(nc1)Br 7a_100000730009_100000211926 [0,1,0,0,0,0|2,0,0]=3 988 B11R1.1 OCCOc1cnc(nc1)Cl 34a_100000092845_100000211926 [0,1,0,0,0,0|2,0,0]=3 989 B11R1.1 OCCOc1cnc(nc1)Cl 7a_100000092845_100000211926 [0,1,0,0,0,0|2,0,0]=3 990 B11R1.1 OCCOc1cnc(nc1)F 34a_200009874573_100000211926 [0,1,0,0,0,0|2,0,0]=3 991 B11R1.1 OCCOc1cnc(nc1)F 7a_200009874573_100000211926 [0,1,0,0,0,0|2,0,0]=3 992 B11R1.1 OCCOc1ncc(cn1)F 34a_100011934040_100000211926 [0,1,0,0,0,0|2,0,0]=3 993 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000211926_100000752885 [0,1,0,0,0,0|0,1,0]=2 994 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000752885_100000211926 [0,1,0,0,0,0|0,1,0]=2 995 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000211926_100000755918 [0,1,0,0,0,0|0,1,0]=2 996 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000755918_100000211926 [0,1,0,0,0,0|0,1,0]=2 997 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211213_100000211926 [0,1,0,0,0,0|0,1,0]=2 998 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211926_100000211213 [0,1,0,0,0,0|0,1,0]=2 999 B11R1.1 OCCSc1ccc(cc1)O 62a_100000211926_100000185759 [0,1,0,0,0,0|0,1,0]=2 1000 B11R1.1 OCCSc1ccc(cn1)Br 62a_100000211926_100000686858 [0,1,0,0,0,0|1,1,0]=3 1001 B11R1.1 OCCSc1ccc(cn1)Br 62a_100000686858_100000211926 [0,1,0,0,0,0|1,1,0]=3 1002 B11R1.1 OCCSc1ccc(cn1)Cl 62a_100000211926_100011356976 [0,1,0,0,0,0|1,1,0]=3 1003 B11R1.1 OCCSc1ccc(cn1)Cl 62a_100011356976_100000211926 [0,1,0,0,0,0|1,1,0]=3 1004 B11R1.1 OCCSc1ccc(cn1)F 62a_100000211926_100000744514 [0,1,0,0,0,0|1,1,0]=3 1005 B11R1.1 OCCSc1ccc(cn1)F 62a_100000744514_100000211926 [0,1,0,0,0,0|1,1,0]=3 1006 B11R1.1 OCCSc1ccc(cn1)O 62a_100000211926_100000744096 [0,1,0,0,0,0|1,1,0]=3 1007 B11R1.1 OCCSc1ccc(cn1)O 62a_100000685995_100000211926 [0,1,0,0,0,0|1,1,0]=3 1008 B11R1.1 OCCSc1ccc(nc1)Br 62a_100000211926_100009814638 [0,1,0,0,0,0|1,1,0]=3 1009 B11R1.1 OCCSc1ccc(nc1)Br 62a_100009814638_100000211926 [0,1,0,0,0,0|1,1,0]=3 1010 B11R1.1 OCCSc1ccc(nc1)Cl 62a_100000034144_100000211926 [0,1,0,0,0,0|1,1,0]=3 1011 B11R1.1 OCCSc1ccc(nc1)Cl 62a_100000211926_100000034144 [0,1,0,0,0,0|1,1,0]=3 1012 B11R1.1 OCCSc1ccc(nc1)F 62a_100000042367_100000211926 [0,1,0,0,0,0|1,1,0]=3 1013 B11R1.1 OCCSc1ccc(nc1)F 62a_100000211926_100000042367 [0,1,0,0,0,0|1,1,0]=3 1014 B11R1.1 OCCSc1ccc(nn1)Cl 62a_100000068654_100000211926 [0,1,0,0,0,0|2,1,0]=4 1015 B11R1.1 OCCSc1ccc(nn1)Cl 62a_100000211926_100000068654 [0,1,0,0,0,0|2,1,0]=4 1016 B11R1.1 OCCSc1ccc(nn1)O 271570a_203496583355_100000215309 [0,1,0,0,0,0|2,1,0]=4 1017 B11R1.1 OCCSc1cnc(cn1)Br 62a_100000211926_100010187541 [0,1,0,0,0,0|2,1,0]=4 1018 B11R1.1 OCCSc1cnc(cn1)Br 62a_100010187541_100000211926 [0,1,0,0,0,0|2,1,0]=4 1019 B11R1.1 OCCSc1cnc(cn1)Cl 62a_100000211926_100010214907 [0,1,0,0,0,0|2,1,0]=4 1020 B11R1.1 OCCSc1cnc(cn1)Cl 62a_100010214907_100000211926 [0,1,0,0,0,0|2,1,0]=4 1021 B11R1.1 OCCSc1cnc(cn1)F 62a_100000211926_100009856528 [0,1,0,0,0,0|2,1,0]=4 1022 B11R1.1 OCCSc1cnc(cn1)F 62a_100009856528_100000211926 [0,1,0,0,0,0|2,1,0]=4 1023 B11R1.1 OCCSc1cnc(cn1)O 62a_100000211926_100015839800 [0,1,0,0,0,0|2,1,0]=4 1024 B11R1.1 OCCSc1cnc(cn1)O 62a_100011934580_100000211926 [0,1,0,0,0,0|2,1,0]=4 1025 B11R1.1 OCCSc1cnc(nc1)Br 62a_100000211926_200012349914 [0,1,0,0,0,0|2,1,0]=4 1026 B11R1.1 OCCSc1cnc(nc1)Br 62a_200012349914_100000211926 [0,1,0,0,0,0|2,1,0]=4 1027 B11R1.1 OCCSc1cnc(nc1)Cl 62a_100000059775_100000211926 [0,1,0,0,0,0|2,1,0]=4 1028 B11R1.1 OCCSc1cnc(nc1)Cl 62a_100000211926_100000059775 [0,1,0,0,0,0|2,1,0]=4 1029 B11R1.1 OCCSc1cnc(nc1)F 62a_100000211926_100000685262 [0,1,0,0,0,0|2,1,0]=4 1030 B11R1.1 OCCSc1cnc(nc1)F 62a_100000685262_100000211926 [0,1,0,0,0,0|2,1,0]=4 1031 B11R1.1 OCCSc1ncc(cn1)Br 62a_100000211926_100000690281 [0,1,0,0,0,0|2,1,0]=4 1032 B11R1.1 OCCSc1ncc(cn1)Br 62a_100000690281_100000211926 [0,1,0,0,0,0|2,1,0]=4 1033 B11R1.1 OCCSc1ncc(cn1)Cl 62a_100000211926_100011356929 [0,1,0,0,0,0|2,1,0]=4 1034 B11R1.1 OCCSc1ncc(cn1)Cl 62a_100011356929_100000211926 [0,1,0,0,0,0|2,1,0]=4 1035 B11R1.1 OCCSc1ncc(cn1)F 62a_100000211926_100000685220 [0,1,0,0,0,0|2,1,0]=4 1036 B11R1.1 OCCSc1ncc(cn1)F 62a_100000685220_100000211926 [0,1,0,0,0,0|2,1,0]=4 1037 B11R1.1 OCCSc1ncc(cn1)O 62a_100000211926_100000092845 [0,1,0,0,0,0|2,1,0]=4 1038 B11R1.1 OCCSc1ncc(cn1)O 62a_100000730009_100000211926 [0,1,0,0,0,0|2,1,0]=4 1039 B11R1.1 Oc1ccc(cc1)CNCF 34a_100000185549_100015361967 [0,1,0,0,0,0|3,0,0]=4 1040 B11R1.1 Oc1ccc(cc1)NCCF 34a_100000185829_100011217306 [0,1,0,0,0,0|2,0,0]=3 1041 B11R1.1 Oc1ccc(cc1)OCCF 271570a_203496583355_100012347556 [0,1,0,0,0,0|1,0,0]=2 1042 B11R1.1 Oc1ccc(cc1)SCCF 62a_100011217306_100000185759 [0,1,0,0,0,0|1,1,0]=3 1043 B11R1.1 Oc1ccc(nc1)SCCF 62a_100000685995_100011217306 [0,1,0,0,0,0|2,1,0]=4 1044 B11R1.1 Oc1ccc(nc1)SCCF 62a_100011217306_100000744096 [0,1,0,0,0,0|2,1,0]=4 1045 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 2230a_100000755846_200025704644 [0,1,0,0,0,0|3,0,0]=4 1046 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 34a_100000755846_200025704644 [0,1,0,0,0,0|3,0,0]=4 1047 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 2230a_100000185265_200025704644 [0,1,0,0,0,0|3,0,0]=4 1048 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 34a_100000185265_200025704644 [0,1,0,0,0,0|3,0,0]=4 1049 B11R1.1 [13CH3]NCCc1ccc(cc1)F 2230a_100000199005_200025704644 [0,1,0,0,0,0|3,0,0]=4 1050 B11R1.1 [13CH3]NCCc1ccc(cc1)F 34a_100000199005_200025704644 [0,1,0,0,0,0|3,0,0]=4 1051 B11R1.1 [13CH3]NCCc1ccc(cc1)O 34a_100000743037_200025704644 [0,1,0,0,0,0|3,0,0]=4 1052 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 34a_100000766406_200025704644 [0,1,0,0,0,0|3,0,0]=4 1053 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 7a_100000766406_200025704644 [0,1,0,0,0,0|3,0,0]=4 1054 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 34a_100011219627_200025704644 [0,1,0,0,0,0|3,0,0]=4 1055 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 7a_100011219627_200025704644 [0,1,0,0,0,0|3,0,0]=4 1056 B11R1.1 [13CH3]OCCc1ccc(cc1)F 34a_100000754732_200025704644 [0,1,0,0,0,0|3,0,0]=4 1057 B11R1.1 [13CH3]OCCc1ccc(cc1)F 7a_100000754732_200025704644 [0,1,0,0,0,0|3,0,0]=4 1058 B11R1.1 [13CH3]OCCc1ccc(cc1)I 34a_100012291149_200025704644 [0,1,0,0,0,0|3,0,0]=4 1059 B11R1.1 [13CH3]OCCc1ccc(cc1)I 7a_100012291149_200025704644 [0,1,0,0,0,0|3,0,0]=4 1060 B11R1.1 [13CH3]OCCc1ccc(cc1)N 34a_100011204434_200025704644 [0,1,0,0,0,0|3,0,0]=4 1061 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_100011740612_200025704644 [0,1,0,0,0,0|3,0,0]=4 1062 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_200025704644_100011740612 [0,1,0,0,0,0|3,0,0]=4 1063 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_100011713675_200025704644 [0,1,0,0,0,0|3,0,0]=4 1064 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_200025704644_100011713675 [0,1,0,0,0,0|3,0,0]=4 1065 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_100011217392_200025704644 [0,1,0,0,0,0|3,0,0]=4 1066 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_200025704644_100011217392 [0,1,0,0,0,0|3,0,0]=4 1067 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_100009816426_200025704644 [0,1,0,0,0,0|3,0,0]=4 1068 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_200025704644_100009816426 [0,1,0,0,0,0|3,0,0]=4 1069 B11R1.1 [O-][n+]1ccc(cc1)SCCF 62a_100011217306_100000039755 [0,1,0,0,0,0|2,1,0]=4 1070 B11R1.1 [O-][n+]1ccc(cc1)SCCO 62a_100000211926_100000039755 [0,1,0,0,0,0|1,1,0]=3 1071 B11R1.16 C#CCC(=O)c1ccccc1 1458a_100000185807_100000184674 [0,1,0,0,0,0|2,0,1]=4 1072 B11R1.16 C#CCN(C)c1ccccc1 2230a_100000210012_100000038162 [0,1,0,0,0,0|2,0,1]=4 1073 B11R1.16 C#CCN(C)c1ccccc1 34a_100000210012_100000184674 [0,1,0,0,0,0|2,0,1]=4 1074 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [0,1,0,0,0,0|2,0,1]=4 1075 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000210012_100000210623 [0,1,0,0,0,0|2,0,1]=4 1076 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000211662_200000210301 [0,1,0,0,0,0|2,0,1]=4 1077 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000210012_100000210623 [0,1,0,0,0,0|2,0,1]=4 1078 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000211662_200000210301 [0,1,0,0,0,0|2,0,1]=4 1079 B11R1.16 C=CCN(C)c1ccccc1 34a_100000210012_100015514636 [0,1,0,0,0,0|2,0,1]=4 1080 B11R1.16 C=CCN(C)c1ccccc1 34a_100000211662_200000210301 [0,1,0,0,0,0|2,0,1]=4 1081 B11R1.16 C=CCN([13CH3])c1ccccc1 2230a_100000211662_200025704644 [0,1,0,0,0,0|2,0,1]=4 1082 B11R1.16 C=CCN([13CH3])c1ccccc1 269982a_100000211662_200025704644 [0,1,0,0,0,0|2,0,1]=4 1083 B11R1.16 C=CCN([13CH3])c1ccccc1 34a_100000211662_200025704644 [0,1,0,0,0,0|2,0,1]=4 1084 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [0,1,0,0,0,0|3,0,0]=4 1085 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [0,1,0,0,0,0|3,0,0]=4 1086 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [0,1,0,0,0,0|3,0,0]=4 1087 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [0,1,0,0,0,0|3,0,0]=4 1088 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [0,1,0,0,0,0|3,0,0]=4 1089 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [0,1,0,0,0,0|3,0,0]=4 1090 B11R1.16 CC(SCF)c1ccccc1 62a_100000230085_100015361967 [0,1,0,0,0,0|3,0,0]=4 1091 B11R1.16 CC(SCF)c1ccccc1 62a_100015361967_100000230085 [0,1,0,0,0,0|3,0,0]=4 1092 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [0,1,0,0,0,0|2,0,0]=3 1093 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [0,1,0,0,0,0|2,0,0]=3 1094 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [0,1,0,0,0,0|2,0,0]=3 1095 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [0,1,0,0,0,0|2,0,0]=3 1096 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [0,1,0,0,0,0|2,0,0]=3 1097 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [0,1,0,0,0,0|2,0,0]=3 1098 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [0,1,0,0,0,0|2,0,0]=3 1099 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [0,1,0,0,0,0|2,0,0]=3 1100 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [0,1,0,0,0,0|2,0,0]=3 1101 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [0,1,0,0,0,0|2,0,0]=3 1102 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [0,1,0,0,0,0|3,0,0]=4 1103 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [0,1,0,0,0,0|3,0,0]=4 1104 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [0,1,0,0,0,0|3,0,0]=4 1105 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [0,1,0,0,0,0|3,0,0]=4 1106 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [0,1,0,0,0,0|3,0,0]=4 1107 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [0,1,0,0,0,0|3,0,0]=4 1108 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [0,1,0,0,0,0|3,0,0]=4 1109 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [0,1,0,0,0,0|3,0,0]=4 1110 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [0,1,0,0,0,0|3,0,0]=4 1111 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [0,1,0,0,0,0|3,0,0]=4 1112 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [0,1,0,0,0,0|3,0,0]=4 1113 B11R1.16 CN(CC#N)c1ccccc1 2230a_100000210012_100011215382 [0,1,0,0,0,0|2,0,1]=4 1114 B11R1.16 CN(CC#N)c1ccccc1 269982a_100000210012_100011214920 [0,1,0,0,0,0|2,0,1]=4 1115 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [0,1,0,0,0,0|1,0,2]=4 1116 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [0,1,0,0,0,0|1,0,2]=4 1117 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [0,1,0,0,0,0|1,0,2]=4 1118 B11R1.16 CN(CCF)c1ccccc1 2230a_100000210012_100011217306 [0,1,0,0,0,0|2,0,0]=3 1119 B11R1.16 CN(CCF)c1ccccc1 269982a_100000210012_100011217306 [0,1,0,0,0,0|2,0,0]=3 1120 B11R1.16 CN(CCF)c1ccccc1 34a_100000210012_100011217306 [0,1,0,0,0,0|2,0,0]=3 1121 B11R1.16 CN(CCO)c1ccccc1 2230a_100000210012_100000211926 [0,1,0,0,0,0|1,0,0]=2 1122 B11R1.16 CN(CCO)c1ccccc1 2230a_100000211345_200000210301 [0,1,0,0,0,0|1,0,0]=2 1123 B11R1.16 CN(CCO)c1ccccc1 269982a_100000210012_100000211926 [0,1,0,0,0,0|1,0,0]=2 1124 B11R1.16 CN(CCO)c1ccccc1 269982a_100000211345_200000210301 [0,1,0,0,0,0|1,0,0]=2 1125 B11R1.16 CN(CCO)c1ccccc1 34a_100000210012_100000211926 [0,1,0,0,0,0|1,0,0]=2 1126 B11R1.16 CN(CCO)c1ccccc1 34a_100000211345_200000210301 [0,1,0,0,0,0|1,0,0]=2 1127 B11R1.16 CN(CCO)c1cccnn1 27a_100000210263_100016991348 [0,1,0,0,0,0|3,0,0]=4 1128 B11R1.16 CN(CCO)c1ccncn1 27a_100000210263_100000703185 [0,1,0,0,0,0|3,0,0]=4 1129 B11R1.16 CN(CCO)c1cnccn1 27a_100000210263_100000211759 [0,1,0,0,0,0|3,0,0]=4 1130 B11R1.16 CN(CCO)c1ncccn1 27a_100000210263_100000211032 [0,1,0,0,0,0|3,0,0]=4 1131 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [0,1,0,0,0,0|3,0,0]=4 1132 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [0,1,0,0,0,0|3,0,0]=4 1133 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [0,1,0,0,0,0|3,0,0]=4 1134 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [0,1,0,0,0,0|3,0,0]=4 1135 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [0,1,0,0,0,0|3,0,0]=4 1136 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [0,1,0,0,0,0|3,0,0]=4 1137 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [0,1,0,0,0,0|3,0,0]=4 1138 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [0,1,0,0,0,0|3,0,0]=4 1139 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [0,1,0,0,0,0|3,0,0]=4 1140 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [0,1,0,0,0,0|3,0,0]=4 1141 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [0,1,0,0,0,0|3,0,0]=4 1142 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [0,1,0,0,0,0|3,0,0]=4 1143 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [0,1,0,0,0,0|3,0,0]=4 1144 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [0,1,0,0,0,0|3,0,0]=4 1145 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [0,1,0,0,0,0|3,0,0]=4 1146 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [0,1,0,0,0,0|3,0,0]=4 1147 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [0,1,0,0,0,0|3,0,0]=4 1148 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [0,1,0,0,0,0|3,0,0]=4 1149 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [0,1,0,0,0,0|3,0,0]=4 1150 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [0,1,0,0,0,0|3,0,0]=4 1151 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [0,1,0,0,0,0|3,0,0]=4 1152 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [0,1,0,0,0,0|3,0,0]=4 1153 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [0,1,0,0,0,0|3,0,0]=4 1154 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [0,1,0,0,0,0|3,0,0]=4 1155 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [0,1,0,0,0,0|3,0,0]=4 1156 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [0,1,0,0,0,0|3,0,0]=4 1157 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [0,1,0,0,0,0|3,0,0]=4 1158 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [0,1,0,0,0,0|3,0,0]=4 1159 B11R1.16 CSCN(C)c1ccccc1 2230a_100000210012_100011218213 [0,1,0,0,0,0|3,0,0]=4 1160 B11R1.16 CSCN(C)c1ccccc1 269982a_100000210012_100011218213 [0,1,0,0,0,0|3,0,0]=4 1161 B11R1.16 CSCN(C)c1ccccc1 34a_100000210012_100011218213 [0,1,0,0,0,0|3,0,0]=4 1162 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [0,1,0,0,0,0|2,1,0]=4 1163 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [0,1,0,0,0,0|3,0,0]=4 1164 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [0,1,0,0,0,0|3,0,0]=4 1165 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [0,1,0,0,0,0|3,0,0]=4 1166 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [0,1,0,0,0,0|3,0,0]=4 1167 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [0,1,0,0,0,0|2,0,1]=4 1168 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [0,1,0,0,0,0|2,0,0]=3 1169 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [0,1,0,0,0,0|1,0,0]=2 1170 B11R1.16 [13CH3]N(CCO)c1ccccc1 2230a_100000211345_200025704644 [0,1,0,0,0,0|1,0,0]=2 1171 B11R1.16 [13CH3]N(CCO)c1ccccc1 269982a_100000211345_200025704644 [0,1,0,0,0,0|1,0,0]=2 1172 B11R1.16 [13CH3]N(CCO)c1ccccc1 34a_100000211345_200025704644 [0,1,0,0,0,0|1,0,0]=2 1173 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [0,1,0,0,0,0|3,0,0]=4 1174 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [0,1,0,0,0,0|3,0,0]=4 1175 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [0,1,0,0,0,0|3,0,0]=4 1176 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [0,1,0,0,0,0|3,0,0]=4 1177 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [0,1,0,0,0,0|3,0,0]=4 1178 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [0,1,0,0,0,0|3,0,0]=4 1179 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [0,1,0,0,0,0|2,1,0]=4 1180 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [0,1,0,0,0,0|3,0,0]=4 1181 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [0,1,0,0,0,0|3,0,0]=4 1182 B11R1.17 C#CCNc1ccccc1Br 34a_100000210017_100000184674 [0,1,0,0,0,0|2,0,1]=4 1183 B11R1.17 C#CCNc1ccccc1C 34a_100015192222_100000184674 [0,1,0,0,0,0|2,0,1]=4 1184 B11R1.17 C#CCNc1ccccc1Cl 34a_100000185783_100000184674 [0,1,0,0,0,0|2,0,1]=4 1185 B11R1.17 C#CCNc1ccccc1F 34a_100000210422_100000184674 [0,1,0,0,0,0|2,0,1]=4 1186 B11R1.17 C#CCNc1ccccc1I 34a_100000210053_100000184674 [0,1,0,0,0,0|2,0,1]=4 1187 B11R1.17 C#CCNc1ccccc1O 34a_100000185747_100000184674 [0,1,0,0,0,0|2,0,1]=4 1188 B11R1.17 C#CCOc1cccc[n+]1[O-] 7a_100000211761_100000038162 [0,1,0,0,0,0|2,0,1]=4 1189 B11R1.17 C#CCOc1ccccc1Br 34a_100000181306_100000184674 [0,1,0,0,0,0|1,0,1]=3 1190 B11R1.17 C#CCOc1ccccc1Br 7a_100000181306_100000038162 [0,1,0,0,0,0|1,0,1]=3 1191 B11R1.17 C#CCOc1ccccc1C 34a_100000210338_100000184674 [0,1,0,0,0,0|1,0,1]=3 1192 B11R1.17 C#CCOc1ccccc1C 7a_100000210338_100000038162 [0,1,0,0,0,0|1,0,1]=3 1193 B11R1.17 C#CCOc1ccccc1Cl 34a_100000210172_100000184674 [0,1,0,0,0,0|1,0,1]=3 1194 B11R1.17 C#CCOc1ccccc1Cl 7a_100000210172_100000038162 [0,1,0,0,0,0|1,0,1]=3 1195 B11R1.17 C#CCOc1ccccc1F 34a_100000210171_100000184674 [0,1,0,0,0,0|1,0,1]=3 1196 B11R1.17 C#CCOc1ccccc1F 7a_100000210171_100000038162 [0,1,0,0,0,0|1,0,1]=3 1197 B11R1.17 C#CCOc1ccccc1I 34a_100000739446_100000184674 [0,1,0,0,0,0|1,0,1]=3 1198 B11R1.17 C#CCOc1ccccc1I 7a_100000739446_100000038162 [0,1,0,0,0,0|1,0,1]=3 1199 B11R1.17 C#CCOc1ccccc1N 34a_100000185747_100000184674 [0,1,0,0,0,0|1,0,1]=3 1200 B11R1.17 C#CCOc1ccccc1N 7a_100000185747_100000038162 [0,1,0,0,0,0|1,0,1]=3 1201 B11R1.17 C#CCOc1cccnc1Br 34a_100000744436_100000184674 [0,1,0,0,0,0|2,0,1]=4 1202 B11R1.17 C#CCOc1cccnc1Br 7a_100000744436_100000038162 [0,1,0,0,0,0|2,0,1]=4 1203 B11R1.17 C#CCOc1cccnc1C 34a_100000745507_100000184674 [0,1,0,0,0,0|2,0,1]=4 1204 B11R1.17 C#CCOc1cccnc1C 7a_100000745507_100000038162 [0,1,0,0,0,0|2,0,1]=4 1205 B11R1.17 C#CCOc1cccnc1Cl 34a_100000757616_100000184674 [0,1,0,0,0,0|2,0,1]=4 1206 B11R1.17 C#CCOc1cccnc1Cl 7a_100000757616_100000038162 [0,1,0,0,0,0|2,0,1]=4 1207 B11R1.17 C#CCOc1cccnc1F 34a_100000061740_100000184674 [0,1,0,0,0,0|2,0,1]=4 1208 B11R1.17 C#CCOc1cccnc1F 7a_100000061740_100000038162 [0,1,0,0,0,0|2,0,1]=4 1209 B11R1.17 C#CCOc1cccnc1I 34a_100000034122_100000184674 [0,1,0,0,0,0|2,0,1]=4 1210 B11R1.17 C#CCOc1cccnc1I 7a_100000034122_100000038162 [0,1,0,0,0,0|2,0,1]=4 1211 B11R1.17 C#CCOc1cccnc1N 34a_100000211975_100000184674 [0,1,0,0,0,0|2,0,1]=4 1212 B11R1.17 C#CCOc1cccnc1N 7a_100000211975_100000038162 [0,1,0,0,0,0|2,0,1]=4 1213 B11R1.17 C#CCOc1cccoc1=O 34a_100000077404_100000184674 [0,1,0,0,0,0|2,0,1]=4 1214 B11R1.17 C#CCOc1cccoc1=O 7a_100000077404_100000038162 [0,1,0,0,0,0|2,0,1]=4 1215 B11R1.17 C#CCOc1ccncc1Br 34a_100011996408_100000184674 [0,1,0,0,0,0|2,0,1]=4 1216 B11R1.17 C#CCOc1ccncc1C 34a_100000694293_100000184674 [0,1,0,0,0,0|2,0,1]=4 1217 B11R1.17 C#CCOc1ccncc1Cl 34a_100011997054_100000184674 [0,1,0,0,0,0|2,0,1]=4 1218 B11R1.17 C#CCOc1ccncc1F 34a_200000081243_100000184674 [0,1,0,0,0,0|2,0,1]=4 1219 B11R1.17 C#CCOc1cnccc1C 34a_100011997053_100000184674 [0,1,0,0,0,0|2,0,1]=4 1220 B11R1.17 C#CCOc1cnccc1C 7a_100011997053_100000038162 [0,1,0,0,0,0|2,0,1]=4 1221 B11R1.17 C#CCOc1cnccc1Cl 34a_100011996695_100000184674 [0,1,0,0,0,0|2,0,1]=4 1222 B11R1.17 C#CCOc1cnccc1I 34a_100000050107_100000184674 [0,1,0,0,0,0|2,0,1]=4 1223 B11R1.17 C#CCOc1cnccc1N 34a_100000753702_100000184674 [0,1,0,0,0,0|2,0,1]=4 1224 B11R1.17 C#CCOc1coccc1=O 34a_100000060831_100000184674 [0,1,0,0,0,0|2,0,1]=4 1225 B11R1.17 C#CCOc1ncccc1Cl 34a_100011290957_100000184674 [0,1,0,0,0,0|2,0,1]=4 1226 B11R1.17 C#CCOc1ncccc1F 34a_100011219419_100000184674 [0,1,0,0,0,0|2,0,1]=4 1227 B11R1.17 C#CCOc1ncccc1N 34a_100000746358_100000184674 [0,1,0,0,0,0|2,0,1]=4 1228 B11R1.17 C#CCSc1ccccc1Br 62a_100000038162_100000695589 [0,1,0,0,0,0|1,1,1]=4 1229 B11R1.17 C#CCSc1ccccc1C 62a_100000038162_100000210755 [0,1,0,0,0,0|1,1,1]=4 1230 B11R1.17 C#CCSc1ccccc1Cl 62a_100000038162_100000764095 [0,1,0,0,0,0|1,1,1]=4 1231 B11R1.17 C#CCSc1ccccc1F 62a_100000038162_100011215700 [0,1,0,0,0,0|1,1,1]=4 1232 B11R1.17 C#CCSc1ccccc1N 62a_100000038162_100000210017 [0,1,0,0,0,0|1,1,1]=4 1233 B11R1.17 C#CCSc1ccccc1O 62a_100000038162_100000739446 [0,1,0,0,0,0|1,1,1]=4 1234 B11R1.17 C=CCNc1ccccc1Br 34a_100000210017_100015514636 [0,1,0,0,0,0|2,0,1]=4 1235 B11R1.17 C=CCNc1ccccc1C 34a_100015192222_100015514636 [0,1,0,0,0,0|2,0,1]=4 1236 B11R1.17 C=CCNc1ccccc1Cl 34a_100000185783_100015514636 [0,1,0,0,0,0|2,0,1]=4 1237 B11R1.17 C=CCNc1ccccc1F 34a_100000210422_100015514636 [0,1,0,0,0,0|2,0,1]=4 1238 B11R1.17 C=CCNc1ccccc1I 34a_100000210053_100015514636 [0,1,0,0,0,0|2,0,1]=4 1239 B11R1.17 C=CCNc1ccccc1O 34a_100000185747_100015514636 [0,1,0,0,0,0|2,0,1]=4 1240 B11R1.17 C=CCOc1cccc[n+]1[O-] 7a_100000211761_100015514636 [0,1,0,0,0,0|2,0,1]=4 1241 B11R1.17 C=CCOc1ccccc1Br 34a_100000181306_100015514636 [0,1,0,0,0,0|1,0,1]=3 1242 B11R1.17 C=CCOc1ccccc1Br 7a_100000181306_100015514636 [0,1,0,0,0,0|1,0,1]=3 1243 B11R1.17 C=CCOc1ccccc1C 34a_100000210338_100015514636 [0,1,0,0,0,0|1,0,1]=3 1244 B11R1.17 C=CCOc1ccccc1C 7a_100000210338_100015514636 [0,1,0,0,0,0|1,0,1]=3 1245 B11R1.17 C=CCOc1ccccc1Cl 34a_100000210172_100015514636 [0,1,0,0,0,0|1,0,1]=3 1246 B11R1.17 C=CCOc1ccccc1Cl 7a_100000210172_100015514636 [0,1,0,0,0,0|1,0,1]=3 1247 B11R1.17 C=CCOc1ccccc1F 34a_100000210171_100015514636 [0,1,0,0,0,0|1,0,1]=3 1248 B11R1.17 C=CCOc1ccccc1F 7a_100000210171_100015514636 [0,1,0,0,0,0|1,0,1]=3 1249 B11R1.17 C=CCOc1ccccc1I 34a_100000739446_100015514636 [0,1,0,0,0,0|1,0,1]=3 1250 B11R1.17 C=CCOc1ccccc1I 7a_100000739446_100015514636 [0,1,0,0,0,0|1,0,1]=3 1251 B11R1.17 C=CCOc1ccccc1N 34a_100000185747_100015514636 [0,1,0,0,0,0|1,0,1]=3 1252 B11R1.17 C=CCOc1ccccc1N 7a_100000185747_100015514636 [0,1,0,0,0,0|1,0,1]=3 1253 B11R1.17 C=CCOc1cccnc1Br 34a_100000744436_100015514636 [0,1,0,0,0,0|2,0,1]=4 1254 B11R1.17 C=CCOc1cccnc1Br 7a_100000744436_100015514636 [0,1,0,0,0,0|2,0,1]=4 1255 B11R1.17 C=CCOc1cccnc1C 34a_100000745507_100015514636 [0,1,0,0,0,0|2,0,1]=4 1256 B11R1.17 C=CCOc1cccnc1C 7a_100000745507_100015514636 [0,1,0,0,0,0|2,0,1]=4 1257 B11R1.17 C=CCOc1cccnc1Cl 34a_100000757616_100015514636 [0,1,0,0,0,0|2,0,1]=4 1258 B11R1.17 C=CCOc1cccnc1Cl 7a_100000757616_100015514636 [0,1,0,0,0,0|2,0,1]=4 1259 B11R1.17 C=CCOc1cccnc1F 34a_100000061740_100015514636 [0,1,0,0,0,0|2,0,1]=4 1260 B11R1.17 C=CCOc1cccnc1F 7a_100000061740_100015514636 [0,1,0,0,0,0|2,0,1]=4 1261 B11R1.17 C=CCOc1cccnc1I 34a_100000034122_100015514636 [0,1,0,0,0,0|2,0,1]=4 1262 B11R1.17 C=CCOc1cccnc1I 7a_100000034122_100015514636 [0,1,0,0,0,0|2,0,1]=4 1263 B11R1.17 C=CCOc1cccnc1N 34a_100000211975_100015514636 [0,1,0,0,0,0|2,0,1]=4 1264 B11R1.17 C=CCOc1cccnc1N 7a_100000211975_100015514636 [0,1,0,0,0,0|2,0,1]=4 1265 B11R1.17 C=CCOc1cccoc1=O 34a_100000077404_100015514636 [0,1,0,0,0,0|2,0,1]=4 1266 B11R1.17 C=CCOc1cccoc1=O 7a_100000077404_100015514636 [0,1,0,0,0,0|2,0,1]=4 1267 B11R1.17 C=CCOc1ccncc1Br 34a_100011996408_100015514636 [0,1,0,0,0,0|2,0,1]=4 1268 B11R1.17 C=CCOc1ccncc1C 34a_100000694293_100015514636 [0,1,0,0,0,0|2,0,1]=4 1269 B11R1.17 C=CCOc1ccncc1Cl 34a_100011997054_100015514636 [0,1,0,0,0,0|2,0,1]=4 1270 B11R1.17 C=CCOc1ccncc1F 34a_200000081243_100015514636 [0,1,0,0,0,0|2,0,1]=4 1271 B11R1.17 C=CCOc1cnccc1C 34a_100011997053_100015514636 [0,1,0,0,0,0|2,0,1]=4 1272 B11R1.17 C=CCOc1cnccc1C 7a_100011997053_100015514636 [0,1,0,0,0,0|2,0,1]=4 1273 B11R1.17 C=CCOc1cnccc1Cl 34a_100011996695_100015514636 [0,1,0,0,0,0|2,0,1]=4 1274 B11R1.17 C=CCOc1cnccc1I 34a_100000050107_100015514636 [0,1,0,0,0,0|2,0,1]=4 1275 B11R1.17 C=CCOc1cnccc1N 34a_100000753702_100015514636 [0,1,0,0,0,0|2,0,1]=4 1276 B11R1.17 C=CCOc1coccc1=O 34a_100000060831_100015514636 [0,1,0,0,0,0|2,0,1]=4 1277 B11R1.17 C=CCOc1ncccc1Cl 34a_100011290957_100015514636 [0,1,0,0,0,0|2,0,1]=4 1278 B11R1.17 C=CCOc1ncccc1F 34a_100011219419_100015514636 [0,1,0,0,0,0|2,0,1]=4 1279 B11R1.17 C=CCOc1ncccc1N 34a_100000746358_100015514636 [0,1,0,0,0,0|2,0,1]=4 1280 B11R1.17 C=CCSc1ccccc1Br 62a_100000210623_100000695589 [0,1,0,0,0,0|1,1,1]=4 1281 B11R1.17 C=CCSc1ccccc1Br 62a_100000695589_100000210623 [0,1,0,0,0,0|1,1,1]=4 1282 B11R1.17 C=CCSc1ccccc1C 62a_100000210623_100000210755 [0,1,0,0,0,0|1,1,1]=4 1283 B11R1.17 C=CCSc1ccccc1C 62a_100000210755_100000210623 [0,1,0,0,0,0|1,1,1]=4 1284 B11R1.17 C=CCSc1ccccc1Cl 62a_100000210623_100000764095 [0,1,0,0,0,0|1,1,1]=4 1285 B11R1.17 C=CCSc1ccccc1Cl 62a_100000764095_100000210623 [0,1,0,0,0,0|1,1,1]=4 1286 B11R1.17 C=CCSc1ccccc1F 62a_100000210623_100011215700 [0,1,0,0,0,0|1,1,1]=4 1287 B11R1.17 C=CCSc1ccccc1F 62a_100011215700_100000210623 [0,1,0,0,0,0|1,1,1]=4 1288 B11R1.17 C=CCSc1ccccc1N 62a_100000210017_100000210623 [0,1,0,0,0,0|1,1,1]=4 1289 B11R1.17 C=CCSc1ccccc1N 62a_100000210623_100000210017 [0,1,0,0,0,0|1,1,1]=4 1290 B11R1.17 C=CCSc1ccccc1O 62a_100000210623_100000739446 [0,1,0,0,0,0|1,1,1]=4 1291 B11R1.17 C=CCSc1ccccc1O 62a_100000739446_100000210623 [0,1,0,0,0,0|1,1,1]=4 1292 B11R1.17 CCCCc1c[nH]ccc1=O 271570a_100020621405_100009998708 [0,1,0,0,0,0|3,0,0]=4 1293 B11R1.17 CCCCc1c[nH]ccc1=S 271570a_100020621405_200012280681 [0,1,0,0,0,0|3,0,0]=4 1294 B11R1.17 CCCCc1ccc[nH]c1=O 271570a_100020621405_100000050042 [0,1,0,0,0,0|3,0,0]=4 1295 B11R1.17 CCCCc1cccc[n+]1C 271570a_100020621405_100000212160 [0,1,0,0,0,0|3,0,0]=4 1296 B11R1.17 CCCCc1cccc[n+]1[O-] 271570a_100020621405_200000042595 [0,1,0,0,0,0|3,0,0]=4 1297 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [0,1,0,0,0,0|2,0,0]=3 1298 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [0,1,0,0,0,0|2,0,0]=3 1299 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [0,1,0,0,0,0|2,0,0]=3 1300 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [0,1,0,0,0,0|2,0,0]=3 1301 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [0,1,0,0,0,0|2,0,0]=3 1302 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [0,1,0,0,0,0|2,0,0]=3 1303 B11R1.17 CCCCc1cccnc1Br 271570a_100020621405_100010202626 [0,1,0,0,0,0|3,0,0]=4 1304 B11R1.17 CCCCc1cccnc1C 271570a_100020621405_100000751574 [0,1,0,0,0,0|3,0,0]=4 1305 B11R1.17 CCCCc1cccnc1Cl 271570a_100020621405_100000036424 [0,1,0,0,0,0|3,0,0]=4 1306 B11R1.17 CCCCc1cccnc1F 271570a_100020621405_100009816115 [0,1,0,0,0,0|3,0,0]=4 1307 B11R1.17 CCCCc1cccnc1N 271570a_100020621405_100000045569 [0,1,0,0,0,0|3,0,0]=4 1308 B11R1.17 CCCCc1ccncc1Br 271570a_100020621405_100000726257 [0,1,0,0,0,0|3,0,0]=4 1309 B11R1.17 CCCCc1ccncc1C 271570a_100020621405_100015191297 [0,1,0,0,0,0|3,0,0]=4 1310 B11R1.17 CCCCc1ccncc1Cl 271570a_100020621405_100000708259 [0,1,0,0,0,0|3,0,0]=4 1311 B11R1.17 CCCCc1ccncc1F 271570a_100020621405_100000047030 [0,1,0,0,0,0|3,0,0]=4 1312 B11R1.17 CCCCc1ccncc1N 271570a_100020621405_100009815883 [0,1,0,0,0,0|3,0,0]=4 1313 B11R1.17 CCCCc1ccncc1O 271570a_100020621405_100009817591 [0,1,0,0,0,0|3,0,0]=4 1314 B11R1.17 CCCCc1cnccc1Br 271570a_100020621405_100010138639 [0,1,0,0,0,0|3,0,0]=4 1315 B11R1.17 CCCCc1cnccc1C 271570a_100020621405_100000761580 [0,1,0,0,0,0|3,0,0]=4 1316 B11R1.17 CCCCc1cnccc1Cl 271570a_100020621405_100009995489 [0,1,0,0,0,0|3,0,0]=4 1317 B11R1.17 CCCCc1cnccc1F 271570a_100020621405_100009820683 [0,1,0,0,0,0|3,0,0]=4 1318 B11R1.17 CCCCc1cnccc1N 271570a_100020621405_100000047001 [0,1,0,0,0,0|3,0,0]=4 1319 B11R1.17 CCCCc1ncccc1Br 271570a_100020621405_100000696092 [0,1,0,0,0,0|3,0,0]=4 1320 B11R1.17 CCCCc1ncccc1C 271570a_100020621405_100000751373 [0,1,0,0,0,0|3,0,0]=4 1321 B11R1.17 CCCCc1ncccc1Cl 271570a_100020621405_100011356963 [0,1,0,0,0,0|3,0,0]=4 1322 B11R1.17 CCCCc1ncccc1F 271570a_100020621405_100000685392 [0,1,0,0,0,0|3,0,0]=4 1323 B11R1.17 CCCCc1ncccc1N 271570a_100020621405_100000688686 [0,1,0,0,0,0|3,0,0]=4 1324 B11R1.17 CCCCc1ncccc1O 271570a_100020621405_100000034122 [0,1,0,0,0,0|3,0,0]=4 1325 B11R1.17 CCCNc1ccccc1Br 34a_100000210017_100000210303 [0,1,0,0,0,0|2,0,0]=3 1326 B11R1.17 CCCNc1ccccc1C 34a_100015192222_100000210303 [0,1,0,0,0,0|2,0,0]=3 1327 B11R1.17 CCCNc1ccccc1Cl 34a_100000185783_100000210303 [0,1,0,0,0,0|2,0,0]=3 1328 B11R1.17 CCCNc1ccccc1F 34a_100000210422_100000210303 [0,1,0,0,0,0|2,0,0]=3 1329 B11R1.17 CCCNc1ccccc1I 34a_100000210053_100000210303 [0,1,0,0,0,0|2,0,0]=3 1330 B11R1.17 CCCNc1ccccc1O 34a_100000185747_100000210303 [0,1,0,0,0,0|2,0,0]=3 1331 B11R1.17 CCCOc1cccc[n+]1[O-] 7a_100000211761_100000210303 [0,1,0,0,0,0|2,0,0]=3 1332 B11R1.17 CCCOc1ccccc1Br 34a_100000181306_100000210303 [0,1,0,0,0,0|1,0,0]=2 1333 B11R1.17 CCCOc1ccccc1Br 7a_100000181306_100000210303 [0,1,0,0,0,0|1,0,0]=2 1334 B11R1.17 CCCOc1ccccc1C 34a_100000210338_100000210303 [0,1,0,0,0,0|1,0,0]=2 1335 B11R1.17 CCCOc1ccccc1C 7a_100000210338_100000210303 [0,1,0,0,0,0|1,0,0]=2 1336 B11R1.17 CCCOc1ccccc1Cl 34a_100000210172_100000210303 [0,1,0,0,0,0|1,0,0]=2 1337 B11R1.17 CCCOc1ccccc1Cl 7a_100000210172_100000210303 [0,1,0,0,0,0|1,0,0]=2 1338 B11R1.17 CCCOc1ccccc1F 34a_100000210171_100000210303 [0,1,0,0,0,0|1,0,0]=2 1339 B11R1.17 CCCOc1ccccc1F 7a_100000210171_100000210303 [0,1,0,0,0,0|1,0,0]=2 1340 B11R1.17 CCCOc1ccccc1I 34a_100000739446_100000210303 [0,1,0,0,0,0|1,0,0]=2 1341 B11R1.17 CCCOc1ccccc1I 7a_100000739446_100000210303 [0,1,0,0,0,0|1,0,0]=2 1342 B11R1.17 CCCOc1ccccc1N 34a_100000185747_100000210303 [0,1,0,0,0,0|1,0,0]=2 1343 B11R1.17 CCCOc1ccccc1N 7a_100000185747_100000210303 [0,1,0,0,0,0|1,0,0]=2 1344 B11R1.17 CCCOc1ccccc1O 271570a_203496583355_100000174042 [0,1,0,0,0,0|1,0,0]=2 1345 B11R1.17 CCCOc1cccnc1Br 34a_100000744436_100000210303 [0,1,0,0,0,0|2,0,0]=3 1346 B11R1.17 CCCOc1cccnc1Br 7a_100000744436_100000210303 [0,1,0,0,0,0|2,0,0]=3 1347 B11R1.17 CCCOc1cccnc1C 34a_100000745507_100000210303 [0,1,0,0,0,0|2,0,0]=3 1348 B11R1.17 CCCOc1cccnc1C 7a_100000745507_100000210303 [0,1,0,0,0,0|2,0,0]=3 1349 B11R1.17 CCCOc1cccnc1Cl 34a_100000757616_100000210303 [0,1,0,0,0,0|2,0,0]=3 1350 B11R1.17 CCCOc1cccnc1Cl 7a_100000757616_100000210303 [0,1,0,0,0,0|2,0,0]=3 1351 B11R1.17 CCCOc1cccnc1F 34a_100000061740_100000210303 [0,1,0,0,0,0|2,0,0]=3 1352 B11R1.17 CCCOc1cccnc1F 7a_100000061740_100000210303 [0,1,0,0,0,0|2,0,0]=3 1353 B11R1.17 CCCOc1cccnc1I 34a_100000034122_100000210303 [0,1,0,0,0,0|2,0,0]=3 1354 B11R1.17 CCCOc1cccnc1I 7a_100000034122_100000210303 [0,1,0,0,0,0|2,0,0]=3 1355 B11R1.17 CCCOc1cccnc1N 34a_100000211975_100000210303 [0,1,0,0,0,0|2,0,0]=3 1356 B11R1.17 CCCOc1cccnc1N 7a_100000211975_100000210303 [0,1,0,0,0,0|2,0,0]=3 1357 B11R1.17 CCCOc1cccoc1=O 34a_100000077404_100000210303 [0,1,0,0,0,0|2,0,0]=3 1358 B11R1.17 CCCOc1cccoc1=O 7a_100000077404_100000210303 [0,1,0,0,0,0|2,0,0]=3 1359 B11R1.17 CCCOc1ccncc1Br 34a_100011996408_100000210303 [0,1,0,0,0,0|2,0,0]=3 1360 B11R1.17 CCCOc1ccncc1C 34a_100000694293_100000210303 [0,1,0,0,0,0|2,0,0]=3 1361 B11R1.17 CCCOc1ccncc1Cl 34a_100011997054_100000210303 [0,1,0,0,0,0|2,0,0]=3 1362 B11R1.17 CCCOc1ccncc1F 34a_200000081243_100000210303 [0,1,0,0,0,0|2,0,0]=3 1363 B11R1.17 CCCOc1cnccc1C 34a_100011997053_100000210303 [0,1,0,0,0,0|2,0,0]=3 1364 B11R1.17 CCCOc1cnccc1C 7a_100011997053_100000210303 [0,1,0,0,0,0|2,0,0]=3 1365 B11R1.17 CCCOc1cnccc1Cl 34a_100011996695_100000210303 [0,1,0,0,0,0|2,0,0]=3 1366 B11R1.17 CCCOc1cnccc1I 34a_100000050107_100000210303 [0,1,0,0,0,0|2,0,0]=3 1367 B11R1.17 CCCOc1cnccc1N 34a_100000753702_100000210303 [0,1,0,0,0,0|2,0,0]=3 1368 B11R1.17 CCCOc1cncnc1N 7a_100000112926_100000210303 [0,1,0,0,0,0|3,0,0]=4 1369 B11R1.17 CCCOc1coccc1=O 34a_100000060831_100000210303 [0,1,0,0,0,0|2,0,0]=3 1370 B11R1.17 CCCOc1ncccc1Cl 34a_100011290957_100000210303 [0,1,0,0,0,0|2,0,0]=3 1371 B11R1.17 CCCOc1ncccc1F 34a_100011219419_100000210303 [0,1,0,0,0,0|2,0,0]=3 1372 B11R1.17 CCCOc1ncccc1N 34a_100000746358_100000210303 [0,1,0,0,0,0|2,0,0]=3 1373 B11R1.17 CCCOc1ncccc1O 271570a_203496583355_200011465209 [0,1,0,0,0,0|2,0,0]=3 1374 B11R1.17 CCCOc1nccnc1C 34a_100000766352_100000210303 [0,1,0,0,0,0|3,0,0]=4 1375 B11R1.17 CCCSc1c[nH]ccc1=O 62a_100000210303_100009998708 [0,1,0,0,0,0|2,1,0]=4 1376 B11R1.17 CCCSc1c[nH]ccc1=O 62a_100009998708_100000210303 [0,1,0,0,0,0|2,1,0]=4 1377 B11R1.17 CCCSc1c[nH]ccc1=S 62a_100000210303_200012280681 [0,1,0,0,0,0|2,1,0]=4 1378 B11R1.17 CCCSc1c[nH]ccc1=S 62a_200012280681_100000210303 [0,1,0,0,0,0|2,1,0]=4 1379 B11R1.17 CCCSc1cccc[n+]1C 62a_100000210303_100000212160 [0,1,0,0,0,0|2,1,0]=4 1380 B11R1.17 CCCSc1cccc[n+]1[O-] 62a_100000210303_200000042595 [0,1,0,0,0,0|2,1,0]=4 1381 B11R1.17 CCCSc1ccccc1Br 62a_100000210303_100000695589 [0,1,0,0,0,0|1,1,0]=3 1382 B11R1.17 CCCSc1ccccc1Br 62a_100000695589_100000210303 [0,1,0,0,0,0|1,1,0]=3 1383 B11R1.17 CCCSc1ccccc1C 62a_100000210303_100000210755 [0,1,0,0,0,0|1,1,0]=3 1384 B11R1.17 CCCSc1ccccc1C 62a_100000210755_100000210303 [0,1,0,0,0,0|1,1,0]=3 1385 B11R1.17 CCCSc1ccccc1Cl 62a_100000210303_100000764095 [0,1,0,0,0,0|1,1,0]=3 1386 B11R1.17 CCCSc1ccccc1Cl 62a_100000764095_100000210303 [0,1,0,0,0,0|1,1,0]=3 1387 B11R1.17 CCCSc1ccccc1F 62a_100000210303_100011215700 [0,1,0,0,0,0|1,1,0]=3 1388 B11R1.17 CCCSc1ccccc1F 62a_100011215700_100000210303 [0,1,0,0,0,0|1,1,0]=3 1389 B11R1.17 CCCSc1ccccc1N 62a_100000210017_100000210303 [0,1,0,0,0,0|1,1,0]=3 1390 B11R1.17 CCCSc1ccccc1N 62a_100000210303_100000210017 [0,1,0,0,0,0|1,1,0]=3 1391 B11R1.17 CCCSc1ccccc1O 62a_100000210303_100000739446 [0,1,0,0,0,0|1,1,0]=3 1392 B11R1.17 CCCSc1ccccc1O 62a_100000739446_100000210303 [0,1,0,0,0,0|1,1,0]=3 1393 B11R1.17 CCCSc1cccnc1Br 62a_100000210303_100010202626 [0,1,0,0,0,0|2,1,0]=4 1394 B11R1.17 CCCSc1cccnc1Br 62a_100010202626_100000210303 [0,1,0,0,0,0|2,1,0]=4 1395 B11R1.17 CCCSc1cccnc1C 62a_100000210303_100000751574 [0,1,0,0,0,0|2,1,0]=4 1396 B11R1.17 CCCSc1cccnc1C 62a_100000751574_100000210303 [0,1,0,0,0,0|2,1,0]=4 1397 B11R1.17 CCCSc1cccnc1Cl 62a_100000036424_100000210303 [0,1,0,0,0,0|2,1,0]=4 1398 B11R1.17 CCCSc1cccnc1Cl 62a_100000210303_100000036424 [0,1,0,0,0,0|2,1,0]=4 1399 B11R1.17 CCCSc1cccnc1F 62a_100000210303_100009816115 [0,1,0,0,0,0|2,1,0]=4 1400 B11R1.17 CCCSc1cccnc1F 62a_100009816115_100000210303 [0,1,0,0,0,0|2,1,0]=4 1401 B11R1.17 CCCSc1cccnc1N 62a_100000045569_100000210303 [0,1,0,0,0,0|2,1,0]=4 1402 B11R1.17 CCCSc1cccnc1N 62a_100000210303_100000045569 [0,1,0,0,0,0|2,1,0]=4 1403 B11R1.17 CCCSc1cccnc1O 62a_100000210303_100000760158 [0,1,0,0,0,0|2,1,0]=4 1404 B11R1.17 CCCSc1cccnc1O 62a_100000760158_100000210303 [0,1,0,0,0,0|2,1,0]=4 1405 B11R1.17 CCCSc1ccncc1Br 62a_100000210303_100000726257 [0,1,0,0,0,0|2,1,0]=4 1406 B11R1.17 CCCSc1ccncc1Br 62a_100000726257_100000210303 [0,1,0,0,0,0|2,1,0]=4 1407 B11R1.17 CCCSc1ccncc1C 62a_100000210303_100000765111 [0,1,0,0,0,0|2,1,0]=4 1408 B11R1.17 CCCSc1ccncc1C 62a_100000765111_100000210303 [0,1,0,0,0,0|2,1,0]=4 1409 B11R1.17 CCCSc1ccncc1Cl 62a_100000210303_100000708259 [0,1,0,0,0,0|2,1,0]=4 1410 B11R1.17 CCCSc1ccncc1Cl 62a_100000708259_100000210303 [0,1,0,0,0,0|2,1,0]=4 1411 B11R1.17 CCCSc1ccncc1F 62a_100000047030_100000210303 [0,1,0,0,0,0|2,1,0]=4 1412 B11R1.17 CCCSc1ccncc1F 62a_100000210303_100000047030 [0,1,0,0,0,0|2,1,0]=4 1413 B11R1.17 CCCSc1ccncc1N 62a_100000210303_100000756074 [0,1,0,0,0,0|2,1,0]=4 1414 B11R1.17 CCCSc1ccncc1N 62a_100000756074_100000210303 [0,1,0,0,0,0|2,1,0]=4 1415 B11R1.17 CCCSc1ccncc1O 62a_100000210303_100009817591 [0,1,0,0,0,0|2,1,0]=4 1416 B11R1.17 CCCSc1ccncc1O 62a_100009817591_100000210303 [0,1,0,0,0,0|2,1,0]=4 1417 B11R1.17 CCCSc1cnccc1Br 62a_100000210303_100010138639 [0,1,0,0,0,0|2,1,0]=4 1418 B11R1.17 CCCSc1cnccc1Br 62a_100010138639_100000210303 [0,1,0,0,0,0|2,1,0]=4 1419 B11R1.17 CCCSc1cnccc1C 62a_100000210303_100000761580 [0,1,0,0,0,0|2,1,0]=4 1420 B11R1.17 CCCSc1cnccc1C 62a_100000761580_100000210303 [0,1,0,0,0,0|2,1,0]=4 1421 B11R1.17 CCCSc1cnccc1Cl 62a_100000210303_100009995489 [0,1,0,0,0,0|2,1,0]=4 1422 B11R1.17 CCCSc1cnccc1Cl 62a_100009995489_100000210303 [0,1,0,0,0,0|2,1,0]=4 1423 B11R1.17 CCCSc1cnccc1F 62a_100000210303_100009820683 [0,1,0,0,0,0|2,1,0]=4 1424 B11R1.17 CCCSc1cnccc1F 62a_100009820683_100000210303 [0,1,0,0,0,0|2,1,0]=4 1425 B11R1.17 CCCSc1cnccc1N 62a_100000047001_100000210303 [0,1,0,0,0,0|2,1,0]=4 1426 B11R1.17 CCCSc1cnccc1N 62a_100000210303_100000047001 [0,1,0,0,0,0|2,1,0]=4 1427 B11R1.17 CCCSc1ncccc1Br 62a_100000210303_100000696092 [0,1,0,0,0,0|2,1,0]=4 1428 B11R1.17 CCCSc1ncccc1Br 62a_100000696092_100000210303 [0,1,0,0,0,0|2,1,0]=4 1429 B11R1.17 CCCSc1ncccc1C 62a_100000210303_100000751373 [0,1,0,0,0,0|2,1,0]=4 1430 B11R1.17 CCCSc1ncccc1C 62a_100000751373_100000210303 [0,1,0,0,0,0|2,1,0]=4 1431 B11R1.17 CCCSc1ncccc1Cl 62a_100000210303_100011356963 [0,1,0,0,0,0|2,1,0]=4 1432 B11R1.17 CCCSc1ncccc1Cl 62a_100011356963_100000210303 [0,1,0,0,0,0|2,1,0]=4 1433 B11R1.17 CCCSc1ncccc1F 62a_100000210303_100000685392 [0,1,0,0,0,0|2,1,0]=4 1434 B11R1.17 CCCSc1ncccc1F 62a_100000685392_100000210303 [0,1,0,0,0,0|2,1,0]=4 1435 B11R1.17 CCCSc1ncccc1N 62a_100000210303_100000688686 [0,1,0,0,0,0|2,1,0]=4 1436 B11R1.17 CCCSc1ncccc1N 62a_100000688686_100000210303 [0,1,0,0,0,0|2,1,0]=4 1437 B11R1.17 CCCSc1ncccc1O 62a_100000034122_100000210303 [0,1,0,0,0,0|2,1,0]=4 1438 B11R1.17 CCCSc1ncccc1O 62a_100000210303_100000034122 [0,1,0,0,0,0|2,1,0]=4 1439 B11R1.17 CCNCc1ccccc1Br 207a_100015525214_100000211189 [0,1,0,0,0,0|3,0,0]=4 1440 B11R1.17 CCNCc1ccccc1Br 2230a_100000689332_100000210202 [0,1,0,0,0,0|3,0,0]=4 1441 B11R1.17 CCNCc1ccccc1Br 2230a_100015525214_100000184730 [0,1,0,0,0,0|3,0,0]=4 1442 B11R1.17 CCNCc1ccccc1Br 270004a_100015525214_100000211189 [0,1,0,0,0,0|3,0,0]=4 1443 B11R1.17 CCNCc1ccccc1Br 34a_100000689332_100000210202 [0,1,0,0,0,0|3,0,0]=4 1444 B11R1.17 CCNCc1ccccc1C 207a_100015525214_100000211143 [0,1,0,0,0,0|3,0,0]=4 1445 B11R1.17 CCNCc1ccccc1C 2230a_100015525214_100000211839 [0,1,0,0,0,0|3,0,0]=4 1446 B11R1.17 CCNCc1ccccc1C 270004a_100015525214_100000211143 [0,1,0,0,0,0|3,0,0]=4 1447 B11R1.17 CCNCc1ccccc1C 34a_100000174972_100000210202 [0,1,0,0,0,0|3,0,0]=4 1448 B11R1.17 CCNCc1ccccc1Cl 207a_100015525214_100000210073 [0,1,0,0,0,0|3,0,0]=4 1449 B11R1.17 CCNCc1ccccc1Cl 2230a_100000174879_100000210202 [0,1,0,0,0,0|3,0,0]=4 1450 B11R1.17 CCNCc1ccccc1Cl 2230a_100015525214_100000187162 [0,1,0,0,0,0|3,0,0]=4 1451 B11R1.17 CCNCc1ccccc1Cl 270004a_100015525214_100000210073 [0,1,0,0,0,0|3,0,0]=4 1452 B11R1.17 CCNCc1ccccc1Cl 34a_100000174879_100000210202 [0,1,0,0,0,0|3,0,0]=4 1453 B11R1.17 CCNCc1ccccc1F 207a_100015525214_100000210811 [0,1,0,0,0,0|3,0,0]=4 1454 B11R1.17 CCNCc1ccccc1F 2230a_100015525214_100000211605 [0,1,0,0,0,0|3,0,0]=4 1455 B11R1.17 CCNCc1ccccc1F 270004a_100015525214_100000210811 [0,1,0,0,0,0|3,0,0]=4 1456 B11R1.17 CCNCc1ccccc1F 34a_100000174869_100000210202 [0,1,0,0,0,0|3,0,0]=4 1457 B11R1.17 CCNCc1ccccc1I 207a_100015525214_100000010305 [0,1,0,0,0,0|3,0,0]=4 1458 B11R1.17 CCNCc1ccccc1I 2230a_100015525214_100011215278 [0,1,0,0,0,0|3,0,0]=4 1459 B11R1.17 CCNCc1ccccc1I 270004a_100015525214_100000010305 [0,1,0,0,0,0|3,0,0]=4 1460 B11R1.17 CCNCc1ccccc1O 34a_100000185550_100000210202 [0,1,0,0,0,0|3,0,0]=4 1461 B11R1.17 CCOCc1ccccc1Br 34a_100000756307_100000210202 [0,1,0,0,0,0|3,0,0]=4 1462 B11R1.17 CCOCc1ccccc1Br 34a_100121572206_100000184730 [0,1,0,0,0,0|3,0,0]=4 1463 B11R1.17 CCOCc1ccccc1Br 7a_100000756307_100000210202 [0,1,0,0,0,0|3,0,0]=4 1464 B11R1.17 CCOCc1ccccc1C 34a_100000698903_100000210202 [0,1,0,0,0,0|3,0,0]=4 1465 B11R1.17 CCOCc1ccccc1C 34a_100121572206_100000211839 [0,1,0,0,0,0|3,0,0]=4 1466 B11R1.17 CCOCc1ccccc1C 7a_100000698903_100000210202 [0,1,0,0,0,0|3,0,0]=4 1467 B11R1.17 CCOCc1ccccc1Cl 34a_100000210847_100000210202 [0,1,0,0,0,0|3,0,0]=4 1468 B11R1.17 CCOCc1ccccc1Cl 34a_100121572206_100000187162 [0,1,0,0,0,0|3,0,0]=4 1469 B11R1.17 CCOCc1ccccc1Cl 7a_100000210847_100000210202 [0,1,0,0,0,0|3,0,0]=4 1470 B11R1.17 CCOCc1ccccc1F 34a_100000211962_100000210202 [0,1,0,0,0,0|3,0,0]=4 1471 B11R1.17 CCOCc1ccccc1F 34a_100121572206_100000211605 [0,1,0,0,0,0|3,0,0]=4 1472 B11R1.17 CCOCc1ccccc1F 7a_100000211962_100000210202 [0,1,0,0,0,0|3,0,0]=4 1473 B11R1.17 CCOCc1ccccc1I 34a_100000187465_100000210202 [0,1,0,0,0,0|3,0,0]=4 1474 B11R1.17 CCOCc1ccccc1I 34a_100121572206_100011215278 [0,1,0,0,0,0|3,0,0]=4 1475 B11R1.17 CCOCc1ccccc1I 7a_100000187465_100000210202 [0,1,0,0,0,0|3,0,0]=4 1476 B11R1.17 CCOCc1ccccc1N 34a_100000212039_100000210202 [0,1,0,0,0,0|3,0,0]=4 1477 B11R1.17 CCOCc1ccccc1O 271570a_203496583355_200011493690 [0,1,0,0,0,0|3,0,0]=4 1478 B11R1.17 CCSCc1ccccc1Br 62a_100000184730_100000210202 [0,1,0,0,0,0|3,0,0]=4 1479 B11R1.17 CCSCc1ccccc1Br 62a_100000210202_100000184730 [0,1,0,0,0,0|3,0,0]=4 1480 B11R1.17 CCSCc1ccccc1C 62a_100000210202_100000211839 [0,1,0,0,0,0|3,0,0]=4 1481 B11R1.17 CCSCc1ccccc1C 62a_100000211839_100000210202 [0,1,0,0,0,0|3,0,0]=4 1482 B11R1.17 CCSCc1ccccc1Cl 62a_100000187162_100000210202 [0,1,0,0,0,0|3,0,0]=4 1483 B11R1.17 CCSCc1ccccc1Cl 62a_100000210202_100000187162 [0,1,0,0,0,0|3,0,0]=4 1484 B11R1.17 CCSCc1ccccc1F 62a_100000210202_100000211605 [0,1,0,0,0,0|3,0,0]=4 1485 B11R1.17 CCSCc1ccccc1F 62a_100000211605_100000210202 [0,1,0,0,0,0|3,0,0]=4 1486 B11R1.17 CCSCc1ccccc1I 62a_100000210202_100011216222 [0,1,0,0,0,0|3,0,0]=4 1487 B11R1.17 CCSCc1ccccc1I 62a_100011216222_100000210202 [0,1,0,0,0,0|3,0,0]=4 1488 B11R1.17 CCSCc1ccccc1O 271570a_203496583355_200000173030 [0,1,0,0,0,0|3,0,0]=4 1489 B11R1.17 CNCCc1ccccc1Br 2230a_100000747383_200000210301 [0,1,0,0,0,0|3,0,0]=4 1490 B11R1.17 CNCCc1ccccc1Br 2230a_106832991635_100012161201 [0,1,0,0,0,0|3,0,0]=4 1491 B11R1.17 CNCCc1ccccc1Br 34a_100000747383_200000210301 [0,1,0,0,0,0|3,0,0]=4 1492 B11R1.17 CNCCc1ccccc1Br 34a_100102657272_100012161201 [0,1,0,0,0,0|3,0,0]=4 1493 B11R1.17 CNCCc1ccccc1Br 7a_106832991635_100012161201 [0,1,0,0,0,0|3,0,0]=4 1494 B11R1.17 CNCCc1ccccc1C 2230a_100000685071_200000210301 [0,1,0,0,0,0|3,0,0]=4 1495 B11R1.17 CNCCc1ccccc1C 2230a_106832991635_100011713688 [0,1,0,0,0,0|3,0,0]=4 1496 B11R1.17 CNCCc1ccccc1C 34a_100000685071_200000210301 [0,1,0,0,0,0|3,0,0]=4 1497 B11R1.17 CNCCc1ccccc1C 34a_100102657272_100011713688 [0,1,0,0,0,0|3,0,0]=4 1498 B11R1.17 CNCCc1ccccc1C 7a_106832991635_100011713688 [0,1,0,0,0,0|3,0,0]=4 1499 B11R1.17 CNCCc1ccccc1Cl 2230a_100011207228_200000210301 [0,1,0,0,0,0|3,0,0]=4 1500 B11R1.17 CNCCc1ccccc1Cl 2230a_106832991635_100011713703 [0,1,0,0,0,0|3,0,0]=4 1501 B11R1.17 CNCCc1ccccc1Cl 270004a_106832991635_200011713468 [0,1,0,0,0,0|3,0,0]=4 1502 B11R1.17 CNCCc1ccccc1Cl 34a_100011207228_200000210301 [0,1,0,0,0,0|3,0,0]=4 1503 B11R1.17 CNCCc1ccccc1Cl 34a_100102657272_100011713703 [0,1,0,0,0,0|3,0,0]=4 1504 B11R1.17 CNCCc1ccccc1Cl 7a_106832991635_100011713703 [0,1,0,0,0,0|3,0,0]=4 1505 B11R1.17 CNCCc1ccccc1F 2230a_100000185272_200000210301 [0,1,0,0,0,0|3,0,0]=4 1506 B11R1.17 CNCCc1ccccc1F 2230a_106832991635_100011713696 [0,1,0,0,0,0|3,0,0]=4 1507 B11R1.17 CNCCc1ccccc1F 34a_100000185272_200000210301 [0,1,0,0,0,0|3,0,0]=4 1508 B11R1.17 CNCCc1ccccc1F 34a_100102657272_100000720011 [0,1,0,0,0,0|3,0,0]=4 1509 B11R1.17 CNCCc1ccccc1F 7a_106832991635_100000720011 [0,1,0,0,0,0|3,0,0]=4 1510 B11R1.17 CNCCc1ccccc1O 34a_100011207237_200000210301 [0,1,0,0,0,0|3,0,0]=4 1511 B11R1.17 CNCCc1ccccc1O 34a_100102657272_100000722297 [0,1,0,0,0,0|3,0,0]=4 1512 B11R1.17 CNCCc1ccccc1O 7a_106832991635_100000722297 [0,1,0,0,0,0|3,0,0]=4 1513 B11R1.17 COCCc1ccccc1Br 34a_100000731337_200000210301 [0,1,0,0,0,0|3,0,0]=4 1514 B11R1.17 COCCc1ccccc1Br 34a_100138415774_100012161201 [0,1,0,0,0,0|3,0,0]=4 1515 B11R1.17 COCCc1ccccc1Br 7a_100000731337_200000210301 [0,1,0,0,0,0|3,0,0]=4 1516 B11R1.17 COCCc1ccccc1C 34a_100011220023_200000210301 [0,1,0,0,0,0|3,0,0]=4 1517 B11R1.17 COCCc1ccccc1C 34a_100138415774_100011713688 [0,1,0,0,0,0|3,0,0]=4 1518 B11R1.17 COCCc1ccccc1C 7a_100011220023_200000210301 [0,1,0,0,0,0|3,0,0]=4 1519 B11R1.17 COCCc1ccccc1Cl 34a_100011215284_200000210301 [0,1,0,0,0,0|3,0,0]=4 1520 B11R1.17 COCCc1ccccc1Cl 34a_100138415774_100011713703 [0,1,0,0,0,0|3,0,0]=4 1521 B11R1.17 COCCc1ccccc1Cl 7a_100011215284_200000210301 [0,1,0,0,0,0|3,0,0]=4 1522 B11R1.17 COCCc1ccccc1F 34a_100000753711_200000210301 [0,1,0,0,0,0|3,0,0]=4 1523 B11R1.17 COCCc1ccccc1F 34a_100138415774_100000720011 [0,1,0,0,0,0|3,0,0]=4 1524 B11R1.17 COCCc1ccccc1F 7a_100000753711_200000210301 [0,1,0,0,0,0|3,0,0]=4 1525 B11R1.17 COCCc1ccccc1I 34a_100010255290_200000210301 [0,1,0,0,0,0|3,0,0]=4 1526 B11R1.17 COCCc1ccccc1I 7a_100010255290_200000210301 [0,1,0,0,0,0|3,0,0]=4 1527 B11R1.17 COCCc1ccccc1N 34a_100011215289_200000210301 [0,1,0,0,0,0|3,0,0]=4 1528 B11R1.17 COCCc1ccccc1O 34a_100138415774_100000722297 [0,1,0,0,0,0|3,0,0]=4 1529 B11R1.17 COCOc1ccccc1O 271570a_203496583355_200000230759 [0,1,0,0,0,0|2,0,0]=3 1530 B11R1.17 COCOc1cccnc1O 271570a_203496583355_100011935308 [0,1,0,0,0,0|3,0,0]=4 1531 B11R1.17 COCSc1ccccc1Br 62a_100000695589_100000766300 [0,1,0,0,0,0|2,1,0]=4 1532 B11R1.17 COCSc1ccccc1Br 62a_100000766300_100000695589 [0,1,0,0,0,0|2,1,0]=4 1533 B11R1.17 COCSc1ccccc1C 62a_100000210755_100000766300 [0,1,0,0,0,0|2,1,0]=4 1534 B11R1.17 COCSc1ccccc1C 62a_100000766300_100000210755 [0,1,0,0,0,0|2,1,0]=4 1535 B11R1.17 COCSc1ccccc1Cl 62a_100000764095_100000766300 [0,1,0,0,0,0|2,1,0]=4 1536 B11R1.17 COCSc1ccccc1Cl 62a_100000766300_100000764095 [0,1,0,0,0,0|2,1,0]=4 1537 B11R1.17 COCSc1ccccc1F 62a_100000766300_100011215700 [0,1,0,0,0,0|2,1,0]=4 1538 B11R1.17 COCSc1ccccc1F 62a_100011215700_100000766300 [0,1,0,0,0,0|2,1,0]=4 1539 B11R1.17 COCSc1ccccc1N 62a_100000210017_100000766300 [0,1,0,0,0,0|2,1,0]=4 1540 B11R1.17 COCSc1ccccc1N 62a_100000766300_100000210017 [0,1,0,0,0,0|2,1,0]=4 1541 B11R1.17 COCSc1ccccc1O 62a_100000739446_100000766300 [0,1,0,0,0,0|2,1,0]=4 1542 B11R1.17 COCSc1ccccc1O 62a_100000766300_100000739446 [0,1,0,0,0,0|2,1,0]=4 1543 B11R1.17 CSCCc1ccccc1Br 62a_100012161201_200000210301 [0,1,0,0,0,0|3,0,0]=4 1544 B11R1.17 CSCCc1ccccc1Br 62a_200000210301_100012161201 [0,1,0,0,0,0|3,0,0]=4 1545 B11R1.17 CSCCc1ccccc1C 62a_100011713688_200000210301 [0,1,0,0,0,0|3,0,0]=4 1546 B11R1.17 CSCCc1ccccc1C 62a_200000210301_100011713688 [0,1,0,0,0,0|3,0,0]=4 1547 B11R1.17 CSCCc1ccccc1Cl 62a_100011713703_200000210301 [0,1,0,0,0,0|3,0,0]=4 1548 B11R1.17 CSCCc1ccccc1Cl 62a_200000210301_100011713703 [0,1,0,0,0,0|3,0,0]=4 1549 B11R1.17 CSCCc1ccccc1F 62a_100011713696_200000210301 [0,1,0,0,0,0|3,0,0]=4 1550 B11R1.17 CSCCc1ccccc1F 62a_200000210301_100011713696 [0,1,0,0,0,0|3,0,0]=4 1551 B11R1.17 CSCCc1ccccc1O 62a_100000722297_200000210301 [0,1,0,0,0,0|3,0,0]=4 1552 B11R1.17 CSCCc1ccccc1O 62a_200000210301_100000722297 [0,1,0,0,0,0|3,0,0]=4 1553 B11R1.17 CSCNc1ccccc1Br 34a_100000210017_100011218213 [0,1,0,0,0,0|3,0,0]=4 1554 B11R1.17 CSCNc1ccccc1C 34a_100015192222_100011218213 [0,1,0,0,0,0|3,0,0]=4 1555 B11R1.17 CSCNc1ccccc1Cl 34a_100000185783_100011218213 [0,1,0,0,0,0|3,0,0]=4 1556 B11R1.17 CSCNc1ccccc1F 34a_100000210422_100011218213 [0,1,0,0,0,0|3,0,0]=4 1557 B11R1.17 CSCNc1ccccc1I 34a_100000210053_100011218213 [0,1,0,0,0,0|3,0,0]=4 1558 B11R1.17 CSCNc1ccccc1O 34a_100000185747_100011218213 [0,1,0,0,0,0|3,0,0]=4 1559 B11R1.17 CSCOc1ccccc1Br 34a_100000181306_100011218213 [0,1,0,0,0,0|2,0,0]=3 1560 B11R1.17 CSCOc1ccccc1C 34a_100000210338_100011218213 [0,1,0,0,0,0|2,0,0]=3 1561 B11R1.17 CSCOc1ccccc1Cl 34a_100000210172_100011218213 [0,1,0,0,0,0|2,0,0]=3 1562 B11R1.17 CSCOc1ccccc1F 34a_100000210171_100011218213 [0,1,0,0,0,0|2,0,0]=3 1563 B11R1.17 CSCOc1ccccc1I 34a_100000739446_100011218213 [0,1,0,0,0,0|2,0,0]=3 1564 B11R1.17 CSCOc1ccccc1N 34a_100000185747_100011218213 [0,1,0,0,0,0|2,0,0]=3 1565 B11R1.17 CSCOc1cccnc1Br 34a_100000744436_100011218213 [0,1,0,0,0,0|3,0,0]=4 1566 B11R1.17 CSCOc1cccnc1C 34a_100000745507_100011218213 [0,1,0,0,0,0|3,0,0]=4 1567 B11R1.17 CSCOc1cccnc1Cl 34a_100000757616_100011218213 [0,1,0,0,0,0|3,0,0]=4 1568 B11R1.17 CSCOc1cccnc1F 34a_100000061740_100011218213 [0,1,0,0,0,0|3,0,0]=4 1569 B11R1.17 CSCOc1cccnc1I 34a_100000034122_100011218213 [0,1,0,0,0,0|3,0,0]=4 1570 B11R1.17 CSCOc1cccnc1N 34a_100000211975_100011218213 [0,1,0,0,0,0|3,0,0]=4 1571 B11R1.17 CSCOc1cccoc1=O 34a_100000077404_100011218213 [0,1,0,0,0,0|3,0,0]=4 1572 B11R1.17 CSCOc1ccncc1Br 34a_100011996408_100011218213 [0,1,0,0,0,0|3,0,0]=4 1573 B11R1.17 CSCOc1ccncc1C 34a_100000694293_100011218213 [0,1,0,0,0,0|3,0,0]=4 1574 B11R1.17 CSCOc1ccncc1Cl 34a_100011997054_100011218213 [0,1,0,0,0,0|3,0,0]=4 1575 B11R1.17 CSCOc1ccncc1F 34a_200000081243_100011218213 [0,1,0,0,0,0|3,0,0]=4 1576 B11R1.17 CSCOc1cnccc1C 34a_100011997053_100011218213 [0,1,0,0,0,0|3,0,0]=4 1577 B11R1.17 CSCOc1cnccc1Cl 34a_100011996695_100011218213 [0,1,0,0,0,0|3,0,0]=4 1578 B11R1.17 CSCOc1cnccc1I 34a_100000050107_100011218213 [0,1,0,0,0,0|3,0,0]=4 1579 B11R1.17 CSCOc1cnccc1N 34a_100000753702_100011218213 [0,1,0,0,0,0|3,0,0]=4 1580 B11R1.17 CSCOc1coccc1=O 34a_100000060831_100011218213 [0,1,0,0,0,0|3,0,0]=4 1581 B11R1.17 CSCOc1ncccc1Cl 34a_100011290957_100011218213 [0,1,0,0,0,0|3,0,0]=4 1582 B11R1.17 CSCOc1ncccc1F 34a_100011219419_100011218213 [0,1,0,0,0,0|3,0,0]=4 1583 B11R1.17 CSCOc1ncccc1N 34a_100000746358_100011218213 [0,1,0,0,0,0|3,0,0]=4 1584 B11R1.17 CSCSc1ccccc1Br 62a_100000695589_100011218213 [0,1,0,0,0,0|2,1,0]=4 1585 B11R1.17 CSCSc1ccccc1Br 62a_100011218213_100000695589 [0,1,0,0,0,0|2,1,0]=4 1586 B11R1.17 CSCSc1ccccc1C 62a_100000210755_100011218213 [0,1,0,0,0,0|2,1,0]=4 1587 B11R1.17 CSCSc1ccccc1C 62a_100011218213_100000210755 [0,1,0,0,0,0|2,1,0]=4 1588 B11R1.17 CSCSc1ccccc1Cl 62a_100000764095_100011218213 [0,1,0,0,0,0|2,1,0]=4 1589 B11R1.17 CSCSc1ccccc1Cl 62a_100011218213_100000764095 [0,1,0,0,0,0|2,1,0]=4 1590 B11R1.17 CSCSc1ccccc1F 62a_100011215700_100011218213 [0,1,0,0,0,0|2,1,0]=4 1591 B11R1.17 CSCSc1ccccc1F 62a_100011218213_100011215700 [0,1,0,0,0,0|2,1,0]=4 1592 B11R1.17 CSCSc1ccccc1N 62a_100000210017_100011218213 [0,1,0,0,0,0|2,1,0]=4 1593 B11R1.17 CSCSc1ccccc1N 62a_100011218213_100000210017 [0,1,0,0,0,0|2,1,0]=4 1594 B11R1.17 CSCSc1ccccc1O 62a_100000739446_100011218213 [0,1,0,0,0,0|2,1,0]=4 1595 B11R1.17 CSCSc1ccccc1O 62a_100011218213_100000739446 [0,1,0,0,0,0|2,1,0]=4 1596 B11R1.17 C[n+]1ccccc1SCCF 62a_100011217306_100000212160 [0,1,0,0,0,0|2,1,0]=4 1597 B11R1.17 C[n+]1ccccc1SCCO 62a_100000211926_100000212160 [0,1,0,0,0,0|1,1,0]=3 1598 B11R1.17 Cc1ccccc1CCN[13CH3] 2230a_100000685071_200025704644 [0,1,0,0,0,0|3,0,0]=4 1599 B11R1.17 Cc1ccccc1CCN[13CH3] 34a_100000685071_200025704644 [0,1,0,0,0,0|3,0,0]=4 1600 B11R1.17 Cc1ccccc1CCO[13CH3] 34a_100011220023_200025704644 [0,1,0,0,0,0|3,0,0]=4 1601 B11R1.17 Cc1ccccc1CCO[13CH3] 7a_100011220023_200025704644 [0,1,0,0,0,0|3,0,0]=4 1602 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_100011713688_200025704644 [0,1,0,0,0,0|3,0,0]=4 1603 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_200025704644_100011713688 [0,1,0,0,0,0|3,0,0]=4 1604 B11R1.17 Cc1ccccc1CNCF 34a_100000174972_100015361967 [0,1,0,0,0,0|3,0,0]=4 1605 B11R1.17 Cc1ccccc1COCF 34a_100000698903_100015361967 [0,1,0,0,0,0|3,0,0]=4 1606 B11R1.17 Cc1ccccc1COCF 7a_100000698903_100015361967 [0,1,0,0,0,0|3,0,0]=4 1607 B11R1.17 Cc1ccccc1CSCF 62a_100000211839_100015361967 [0,1,0,0,0,0|3,0,0]=4 1608 B11R1.17 Cc1ccccc1CSCF 62a_100015361967_100000211839 [0,1,0,0,0,0|3,0,0]=4 1609 B11R1.17 Cc1ccccc1NCC=O 34a_100015192222_200009817547 [0,1,0,0,0,0|1,0,2]=4 1610 B11R1.17 Cc1ccccc1NCCF 34a_100015192222_100011217306 [0,1,0,0,0,0|2,0,0]=3 1611 B11R1.17 Cc1ccccc1NCCO 34a_100015192222_100000211926 [0,1,0,0,0,0|1,0,0]=2 1612 B11R1.17 Cc1ccccc1OCC#N 7a_100000210338_100011215382 [0,1,0,0,0,0|1,0,1]=3 1613 B11R1.17 Cc1ccccc1OCC=O 34a_100000210338_200009817547 [0,1,0,0,0,0|0,0,2]=3 1614 B11R1.17 Cc1ccccc1OCC=O 7a_100000210338_200015260668 [0,1,0,0,0,0|0,0,2]=3 1615 B11R1.17 Cc1ccccc1OCCF 34a_100000210338_100011217306 [0,1,0,0,0,0|1,0,0]=2 1616 B11R1.17 Cc1ccccc1OCCF 7a_100000210338_100011217306 [0,1,0,0,0,0|1,0,0]=2 1617 B11R1.17 Cc1ccccc1OCCO 34a_100000210338_100000211926 [0,1,0,0,0,0|0,0,0]=1 1618 B11R1.17 Cc1ccccc1OCCO 7a_100000210338_100000211926 [0,1,0,0,0,0|0,0,0]=1 1619 B11R1.17 Cc1ccccc1SCC#N 62a_100000210755_100011215382 [0,1,0,0,0,0|1,1,1]=4 1620 B11R1.17 Cc1ccccc1SCC#N 62a_100011215382_100000210755 [0,1,0,0,0,0|1,1,1]=4 1621 B11R1.17 Cc1ccccc1SCC=O 62a_100000210755_200015260668 [0,1,0,0,0,0|0,1,2]=4 1622 B11R1.17 Cc1ccccc1SCC=O 62a_200015260668_100000210755 [0,1,0,0,0,0|0,1,2]=4 1623 B11R1.17 Cc1ccccc1SCCF 62a_100000210755_100011217306 [0,1,0,0,0,0|1,1,0]=3 1624 B11R1.17 Cc1ccccc1SCCF 62a_100011217306_100000210755 [0,1,0,0,0,0|1,1,0]=3 1625 B11R1.17 Cc1ccccc1SCCO 62a_100000210755_100000211926 [0,1,0,0,0,0|0,1,0]=2 1626 B11R1.17 Cc1ccccc1SCCO 62a_100000211926_100000210755 [0,1,0,0,0,0|0,1,0]=2 1627 B11R1.17 Cc1cccnc1SCCF 62a_100000751373_100011217306 [0,1,0,0,0,0|2,1,0]=4 1628 B11R1.17 Cc1cccnc1SCCF 62a_100011217306_100000751373 [0,1,0,0,0,0|2,1,0]=4 1629 B11R1.17 Cc1cccnc1SCCO 62a_100000211926_100000751373 [0,1,0,0,0,0|1,1,0]=3 1630 B11R1.17 Cc1cccnc1SCCO 62a_100000751373_100000211926 [0,1,0,0,0,0|1,1,0]=3 1631 B11R1.17 Cc1ccncc1OCC#N 7a_100011997053_100011215382 [0,1,0,0,0,0|2,0,1]=4 1632 B11R1.17 Cc1ccncc1OCC=O 34a_100011997053_200009817547 [0,1,0,0,0,0|1,0,2]=4 1633 B11R1.17 Cc1ccncc1OCC=O 7a_100011997053_200015260668 [0,1,0,0,0,0|1,0,2]=4 1634 B11R1.17 Cc1ccncc1OCCF 34a_100011997053_100011217306 [0,1,0,0,0,0|2,0,0]=3 1635 B11R1.17 Cc1ccncc1OCCF 7a_100011997053_100011217306 [0,1,0,0,0,0|2,0,0]=3 1636 B11R1.17 Cc1ccncc1OCCO 34a_100011997053_100000211926 [0,1,0,0,0,0|1,0,0]=2 1637 B11R1.17 Cc1ccncc1OCCO 7a_100011997053_100000211926 [0,1,0,0,0,0|1,0,0]=2 1638 B11R1.17 Cc1ccncc1SCCF 62a_100000761580_100011217306 [0,1,0,0,0,0|2,1,0]=4 1639 B11R1.17 Cc1ccncc1SCCF 62a_100011217306_100000761580 [0,1,0,0,0,0|2,1,0]=4 1640 B11R1.17 Cc1ccncc1SCCO 62a_100000211926_100000761580 [0,1,0,0,0,0|1,1,0]=3 1641 B11R1.17 Cc1ccncc1SCCO 62a_100000761580_100000211926 [0,1,0,0,0,0|1,1,0]=3 1642 B11R1.17 Cc1ccnnc1NCCO 27a_100000210304_100000089043 [0,1,0,0,0,0|3,0,0]=4 1643 B11R1.17 Cc1ccnnc1SCCO 62a_100000211926_100000089043 [0,1,0,0,0,0|2,1,0]=4 1644 B11R1.17 Cc1cnccc1NCCO 27a_100000210304_100000765111 [0,1,0,0,0,0|2,0,0]=3 1645 B11R1.17 Cc1cnccc1OCC=O 34a_100000694293_200009817547 [0,1,0,0,0,0|1,0,2]=4 1646 B11R1.17 Cc1cnccc1OCCF 34a_100000694293_100011217306 [0,1,0,0,0,0|2,0,0]=3 1647 B11R1.17 Cc1cnccc1OCCO 34a_100000694293_100000211926 [0,1,0,0,0,0|1,0,0]=2 1648 B11R1.17 Cc1cnccc1SCCF 62a_100000765111_100011217306 [0,1,0,0,0,0|2,1,0]=4 1649 B11R1.17 Cc1cnccc1SCCF 62a_100011217306_100000765111 [0,1,0,0,0,0|2,1,0]=4 1650 B11R1.17 Cc1cnccc1SCCO 62a_100000211926_100000765111 [0,1,0,0,0,0|1,1,0]=3 1651 B11R1.17 Cc1cnccc1SCCO 62a_100000765111_100000211926 [0,1,0,0,0,0|1,1,0]=3 1652 B11R1.17 Cc1cncnc1NCCO 27a_100000210304_100011998708 [0,1,0,0,0,0|3,0,0]=4 1653 B11R1.17 Cc1cncnc1SCCO 62a_100000211926_100011998708 [0,1,0,0,0,0|2,1,0]=4 1654 B11R1.17 Cc1cncnc1SCCO 62a_100011998708_100000211926 [0,1,0,0,0,0|2,1,0]=4 1655 B11R1.17 Cc1ncccc1OCC#N 7a_100000745507_100011215382 [0,1,0,0,0,0|2,0,1]=4 1656 B11R1.17 Cc1ncccc1OCC=O 34a_100000745507_200009817547 [0,1,0,0,0,0|1,0,2]=4 1657 B11R1.17 Cc1ncccc1OCC=O 7a_100000745507_200015260668 [0,1,0,0,0,0|1,0,2]=4 1658 B11R1.17 Cc1ncccc1OCCF 34a_100000745507_100011217306 [0,1,0,0,0,0|2,0,0]=3 1659 B11R1.17 Cc1ncccc1OCCF 7a_100000745507_100011217306 [0,1,0,0,0,0|2,0,0]=3 1660 B11R1.17 Cc1ncccc1OCCO 34a_100000745507_100000211926 [0,1,0,0,0,0|1,0,0]=2 1661 B11R1.17 Cc1ncccc1OCCO 7a_100000745507_100000211926 [0,1,0,0,0,0|1,0,0]=2 1662 B11R1.17 Cc1ncccc1SCCF 62a_100000751574_100011217306 [0,1,0,0,0,0|2,1,0]=4 1663 B11R1.17 Cc1ncccc1SCCF 62a_100011217306_100000751574 [0,1,0,0,0,0|2,1,0]=4 1664 B11R1.17 Cc1ncccc1SCCO 62a_100000211926_100000751574 [0,1,0,0,0,0|1,1,0]=3 1665 B11R1.17 Cc1ncccc1SCCO 62a_100000751574_100000211926 [0,1,0,0,0,0|1,1,0]=3 1666 B11R1.17 Cc1nccnc1NCCO 27a_100000210304_100011999405 [0,1,0,0,0,0|3,0,0]=4 1667 B11R1.17 Cc1nccnc1OCCF 34a_100000766352_100011217306 [0,1,0,0,0,0|3,0,0]=4 1668 B11R1.17 Cc1nccnc1OCCO 34a_100000766352_100000211926 [0,1,0,0,0,0|2,0,0]=3 1669 B11R1.17 Cc1nccnc1SCCO 62a_100000211926_100011999405 [0,1,0,0,0,0|2,1,0]=4 1670 B11R1.17 Cc1nccnc1SCCO 62a_100011999405_100000211926 [0,1,0,0,0,0|2,1,0]=4 1671 B11R1.17 Cc1ncncc1SCCO 62a_100000211926_100009819671 [0,1,0,0,0,0|2,1,0]=4 1672 B11R1.17 Cc1ncncc1SCCO 62a_100009819671_100000211926 [0,1,0,0,0,0|2,1,0]=4 1673 B11R1.17 FCCNc1ccccc1Br 34a_100000210017_100011217306 [0,1,0,0,0,0|2,0,0]=3 1674 B11R1.17 FCCNc1ccccc1Cl 34a_100000185783_100011217306 [0,1,0,0,0,0|2,0,0]=3 1675 B11R1.17 FCCNc1ccccc1F 34a_100000210422_100011217306 [0,1,0,0,0,0|2,0,0]=3 1676 B11R1.17 FCCNc1ccccc1I 34a_100000210053_100011217306 [0,1,0,0,0,0|2,0,0]=3 1677 B11R1.17 FCCOc1ccccc1Br 34a_100000181306_100011217306 [0,1,0,0,0,0|1,0,0]=2 1678 B11R1.17 FCCOc1ccccc1Br 7a_100000181306_100011217306 [0,1,0,0,0,0|1,0,0]=2 1679 B11R1.17 FCCOc1ccccc1Cl 34a_100000210172_100011217306 [0,1,0,0,0,0|1,0,0]=2 1680 B11R1.17 FCCOc1ccccc1Cl 7a_100000210172_100011217306 [0,1,0,0,0,0|1,0,0]=2 1681 B11R1.17 FCCOc1ccccc1F 34a_100000210171_100011217306 [0,1,0,0,0,0|1,0,0]=2 1682 B11R1.17 FCCOc1ccccc1F 7a_100000210171_100011217306 [0,1,0,0,0,0|1,0,0]=2 1683 B11R1.17 FCCOc1ccccc1I 34a_100000739446_100011217306 [0,1,0,0,0,0|1,0,0]=2 1684 B11R1.17 FCCOc1ccccc1I 7a_100000739446_100011217306 [0,1,0,0,0,0|1,0,0]=2 1685 B11R1.17 FCCOc1cccnc1Br 34a_100000744436_100011217306 [0,1,0,0,0,0|2,0,0]=3 1686 B11R1.17 FCCOc1cccnc1Br 7a_100000744436_100011217306 [0,1,0,0,0,0|2,0,0]=3 1687 B11R1.17 FCCOc1cccnc1Cl 34a_100000757616_100011217306 [0,1,0,0,0,0|2,0,0]=3 1688 B11R1.17 FCCOc1cccnc1Cl 7a_100000757616_100011217306 [0,1,0,0,0,0|2,0,0]=3 1689 B11R1.17 FCCOc1cccnc1F 34a_100000061740_100011217306 [0,1,0,0,0,0|2,0,0]=3 1690 B11R1.17 FCCOc1cccnc1F 7a_100000061740_100011217306 [0,1,0,0,0,0|2,0,0]=3 1691 B11R1.17 FCCOc1cccnc1I 34a_100000034122_100011217306 [0,1,0,0,0,0|2,0,0]=3 1692 B11R1.17 FCCOc1cccnc1I 7a_100000034122_100011217306 [0,1,0,0,0,0|2,0,0]=3 1693 B11R1.17 FCCOc1ccncc1Br 34a_100011996408_100011217306 [0,1,0,0,0,0|2,0,0]=3 1694 B11R1.17 FCCOc1ccncc1Cl 34a_100011997054_100011217306 [0,1,0,0,0,0|2,0,0]=3 1695 B11R1.17 FCCOc1ccncc1F 34a_200000081243_100011217306 [0,1,0,0,0,0|2,0,0]=3 1696 B11R1.17 FCCOc1cnccc1Cl 34a_100011996695_100011217306 [0,1,0,0,0,0|2,0,0]=3 1697 B11R1.17 FCCOc1cnccc1I 34a_100000050107_100011217306 [0,1,0,0,0,0|2,0,0]=3 1698 B11R1.17 FCCOc1ncccc1Cl 34a_100011290957_100011217306 [0,1,0,0,0,0|2,0,0]=3 1699 B11R1.17 FCCOc1ncccc1F 34a_100011219419_100011217306 [0,1,0,0,0,0|2,0,0]=3 1700 B11R1.17 FCCSc1c[nH]ccc1=S 62a_100011217306_200012280681 [0,1,0,0,0,0|2,1,0]=4 1701 B11R1.17 FCCSc1c[nH]ccc1=S 62a_200012280681_100011217306 [0,1,0,0,0,0|2,1,0]=4 1702 B11R1.17 FCCSc1ccccc1Br 62a_100000695589_100011217306 [0,1,0,0,0,0|1,1,0]=3 1703 B11R1.17 FCCSc1ccccc1Br 62a_100011217306_100000695589 [0,1,0,0,0,0|1,1,0]=3 1704 B11R1.17 FCCSc1ccccc1Cl 62a_100000764095_100011217306 [0,1,0,0,0,0|1,1,0]=3 1705 B11R1.17 FCCSc1ccccc1Cl 62a_100011217306_100000764095 [0,1,0,0,0,0|1,1,0]=3 1706 B11R1.17 FCCSc1ccccc1F 62a_100011215700_100011217306 [0,1,0,0,0,0|1,1,0]=3 1707 B11R1.17 FCCSc1ccccc1F 62a_100011217306_100011215700 [0,1,0,0,0,0|1,1,0]=3 1708 B11R1.17 FCCSc1cccnc1Br 62a_100010202626_100011217306 [0,1,0,0,0,0|2,1,0]=4 1709 B11R1.17 FCCSc1cccnc1Br 62a_100011217306_100010202626 [0,1,0,0,0,0|2,1,0]=4 1710 B11R1.17 FCCSc1cccnc1Cl 62a_100000036424_100011217306 [0,1,0,0,0,0|2,1,0]=4 1711 B11R1.17 FCCSc1cccnc1Cl 62a_100011217306_100000036424 [0,1,0,0,0,0|2,1,0]=4 1712 B11R1.17 FCCSc1cccnc1F 62a_100009816115_100011217306 [0,1,0,0,0,0|2,1,0]=4 1713 B11R1.17 FCCSc1cccnc1F 62a_100011217306_100009816115 [0,1,0,0,0,0|2,1,0]=4 1714 B11R1.17 FCCSc1ccncc1Br 62a_100000726257_100011217306 [0,1,0,0,0,0|2,1,0]=4 1715 B11R1.17 FCCSc1ccncc1Br 62a_100011217306_100000726257 [0,1,0,0,0,0|2,1,0]=4 1716 B11R1.17 FCCSc1ccncc1Cl 62a_100000708259_100011217306 [0,1,0,0,0,0|2,1,0]=4 1717 B11R1.17 FCCSc1ccncc1Cl 62a_100011217306_100000708259 [0,1,0,0,0,0|2,1,0]=4 1718 B11R1.17 FCCSc1ccncc1F 62a_100000047030_100011217306 [0,1,0,0,0,0|2,1,0]=4 1719 B11R1.17 FCCSc1ccncc1F 62a_100011217306_100000047030 [0,1,0,0,0,0|2,1,0]=4 1720 B11R1.17 FCCSc1cnccc1Br 62a_100010138639_100011217306 [0,1,0,0,0,0|2,1,0]=4 1721 B11R1.17 FCCSc1cnccc1Br 62a_100011217306_100010138639 [0,1,0,0,0,0|2,1,0]=4 1722 B11R1.17 FCCSc1cnccc1Cl 62a_100009995489_100011217306 [0,1,0,0,0,0|2,1,0]=4 1723 B11R1.17 FCCSc1cnccc1Cl 62a_100011217306_100009995489 [0,1,0,0,0,0|2,1,0]=4 1724 B11R1.17 FCCSc1cnccc1F 62a_100009820683_100011217306 [0,1,0,0,0,0|2,1,0]=4 1725 B11R1.17 FCCSc1cnccc1F 62a_100011217306_100009820683 [0,1,0,0,0,0|2,1,0]=4 1726 B11R1.17 FCCSc1ncccc1Br 62a_100000696092_100011217306 [0,1,0,0,0,0|2,1,0]=4 1727 B11R1.17 FCCSc1ncccc1Br 62a_100011217306_100000696092 [0,1,0,0,0,0|2,1,0]=4 1728 B11R1.17 FCCSc1ncccc1Cl 62a_100011217306_100011356963 [0,1,0,0,0,0|2,1,0]=4 1729 B11R1.17 FCCSc1ncccc1Cl 62a_100011356963_100011217306 [0,1,0,0,0,0|2,1,0]=4 1730 B11R1.17 FCCSc1ncccc1F 62a_100000685392_100011217306 [0,1,0,0,0,0|2,1,0]=4 1731 B11R1.17 FCCSc1ncccc1F 62a_100011217306_100000685392 [0,1,0,0,0,0|2,1,0]=4 1732 B11R1.17 FCNCc1ccccc1Br 34a_100000689332_100015361967 [0,1,0,0,0,0|3,0,0]=4 1733 B11R1.17 FCNCc1ccccc1Cl 34a_100000174879_100015361967 [0,1,0,0,0,0|3,0,0]=4 1734 B11R1.17 FCNCc1ccccc1F 34a_100000174869_100015361967 [0,1,0,0,0,0|3,0,0]=4 1735 B11R1.17 FCOCc1ccccc1Br 34a_100000756307_100015361967 [0,1,0,0,0,0|3,0,0]=4 1736 B11R1.17 FCOCc1ccccc1Br 7a_100000756307_100015361967 [0,1,0,0,0,0|3,0,0]=4 1737 B11R1.17 FCOCc1ccccc1Cl 34a_100000210847_100015361967 [0,1,0,0,0,0|3,0,0]=4 1738 B11R1.17 FCOCc1ccccc1Cl 7a_100000210847_100015361967 [0,1,0,0,0,0|3,0,0]=4 1739 B11R1.17 FCOCc1ccccc1F 34a_100000211962_100015361967 [0,1,0,0,0,0|3,0,0]=4 1740 B11R1.17 FCOCc1ccccc1F 7a_100000211962_100015361967 [0,1,0,0,0,0|3,0,0]=4 1741 B11R1.17 FCOCc1ccccc1I 34a_100000187465_100015361967 [0,1,0,0,0,0|3,0,0]=4 1742 B11R1.17 FCOCc1ccccc1I 7a_100000187465_100015361967 [0,1,0,0,0,0|3,0,0]=4 1743 B11R1.17 FCSCc1ccccc1Br 62a_100000184730_100015361967 [0,1,0,0,0,0|3,0,0]=4 1744 B11R1.17 FCSCc1ccccc1Br 62a_100015361967_100000184730 [0,1,0,0,0,0|3,0,0]=4 1745 B11R1.17 FCSCc1ccccc1Cl 62a_100000187162_100015361967 [0,1,0,0,0,0|3,0,0]=4 1746 B11R1.17 FCSCc1ccccc1Cl 62a_100015361967_100000187162 [0,1,0,0,0,0|3,0,0]=4 1747 B11R1.17 FCSCc1ccccc1F 62a_100000211605_100015361967 [0,1,0,0,0,0|3,0,0]=4 1748 B11R1.17 FCSCc1ccccc1F 62a_100015361967_100000211605 [0,1,0,0,0,0|3,0,0]=4 1749 B11R1.17 FCSCc1ccccc1I 62a_100011216222_100015361967 [0,1,0,0,0,0|3,0,0]=4 1750 B11R1.17 FCSCc1ccccc1I 62a_100015361967_100011216222 [0,1,0,0,0,0|3,0,0]=4 1751 B11R1.17 N#CCOc1cccc[n+]1[O-] 7a_100000211761_100011215382 [0,1,0,0,0,0|2,0,1]=4 1752 B11R1.17 N#CCOc1ccccc1Br 7a_100000181306_100011215382 [0,1,0,0,0,0|1,0,1]=3 1753 B11R1.17 N#CCOc1ccccc1Cl 7a_100000210172_100011215382 [0,1,0,0,0,0|1,0,1]=3 1754 B11R1.17 N#CCOc1ccccc1F 7a_100000210171_100011215382 [0,1,0,0,0,0|1,0,1]=3 1755 B11R1.17 N#CCOc1ccccc1I 7a_100000739446_100011215382 [0,1,0,0,0,0|1,0,1]=3 1756 B11R1.17 N#CCOc1ccccc1N 7a_100000185747_100011215382 [0,1,0,0,0,0|1,0,1]=3 1757 B11R1.17 N#CCOc1ccccc1O 271570a_203496583355_200000173881 [0,1,0,0,0,0|1,0,1]=3 1758 B11R1.17 N#CCOc1cccnc1Br 7a_100000744436_100011215382 [0,1,0,0,0,0|2,0,1]=4 1759 B11R1.17 N#CCOc1cccnc1Cl 7a_100000757616_100011215382 [0,1,0,0,0,0|2,0,1]=4 1760 B11R1.17 N#CCOc1cccnc1F 7a_100000061740_100011215382 [0,1,0,0,0,0|2,0,1]=4 1761 B11R1.17 N#CCOc1cccnc1I 7a_100000034122_100011215382 [0,1,0,0,0,0|2,0,1]=4 1762 B11R1.17 N#CCOc1cccnc1N 7a_100000211975_100011215382 [0,1,0,0,0,0|2,0,1]=4 1763 B11R1.17 N#CCOc1cccoc1=O 7a_100000077404_100011215382 [0,1,0,0,0,0|2,0,1]=4 1764 B11R1.17 N#CCSc1ccccc1Br 62a_100000695589_100011215382 [0,1,0,0,0,0|1,1,1]=4 1765 B11R1.17 N#CCSc1ccccc1Br 62a_100011215382_100000695589 [0,1,0,0,0,0|1,1,1]=4 1766 B11R1.17 N#CCSc1ccccc1Cl 62a_100000764095_100011215382 [0,1,0,0,0,0|1,1,1]=4 1767 B11R1.17 N#CCSc1ccccc1Cl 62a_100011215382_100000764095 [0,1,0,0,0,0|1,1,1]=4 1768 B11R1.17 N#CCSc1ccccc1F 62a_100011215382_100011215700 [0,1,0,0,0,0|1,1,1]=4 1769 B11R1.17 N#CCSc1ccccc1F 62a_100011215700_100011215382 [0,1,0,0,0,0|1,1,1]=4 1770 B11R1.17 N#CCSc1ccccc1N 62a_100000210017_100011215382 [0,1,0,0,0,0|1,1,1]=4 1771 B11R1.17 N#CCSc1ccccc1N 62a_100011215382_100000210017 [0,1,0,0,0,0|1,1,1]=4 1772 B11R1.17 N#CCSc1ccccc1O 62a_100000739446_100011215382 [0,1,0,0,0,0|1,1,1]=4 1773 B11R1.17 N#CCSc1ccccc1O 62a_100011215382_100000739446 [0,1,0,0,0,0|1,1,1]=4 1774 B11R1.17 NCCOc1ccccc1O 271570a_203496583355_100000744007 [0,1,0,0,0,0|1,0,0]=2 1775 B11R1.17 Nc1ccccc1COCF 34a_100000212039_100015361967 [0,1,0,0,0,0|3,0,0]=4 1776 B11R1.17 Nc1ccccc1OCC=O 34a_100000185747_200009817547 [0,1,0,0,0,0|0,0,2]=3 1777 B11R1.17 Nc1ccccc1OCC=O 7a_100000185747_200015260668 [0,1,0,0,0,0|0,0,2]=3 1778 B11R1.17 Nc1ccccc1OCCF 34a_100000185747_100011217306 [0,1,0,0,0,0|1,0,0]=2 1779 B11R1.17 Nc1ccccc1OCCF 7a_100000185747_100011217306 [0,1,0,0,0,0|1,0,0]=2 1780 B11R1.17 Nc1ccccc1OCCO 34a_100000185747_100000211926 [0,1,0,0,0,0|0,0,0]=1 1781 B11R1.17 Nc1ccccc1OCCO 7a_100000185747_100000211926 [0,1,0,0,0,0|0,0,0]=1 1782 B11R1.17 Nc1ccccc1SCC=O 62a_100000210017_200015260668 [0,1,0,0,0,0|0,1,2]=4 1783 B11R1.17 Nc1ccccc1SCC=O 62a_200015260668_100000210017 [0,1,0,0,0,0|0,1,2]=4 1784 B11R1.17 Nc1ccccc1SCCF 62a_100000210017_100011217306 [0,1,0,0,0,0|1,1,0]=3 1785 B11R1.17 Nc1ccccc1SCCF 62a_100011217306_100000210017 [0,1,0,0,0,0|1,1,0]=3 1786 B11R1.17 Nc1ccccc1SCCO 62a_100000210017_100000211926 [0,1,0,0,0,0|0,1,0]=2 1787 B11R1.17 Nc1ccccc1SCCO 62a_100000211926_100000210017 [0,1,0,0,0,0|0,1,0]=2 1788 B11R1.17 Nc1cccnc1OCC=O 34a_100000746358_200009817547 [0,1,0,0,0,0|1,0,2]=4 1789 B11R1.17 Nc1cccnc1OCCF 34a_100000746358_100011217306 [0,1,0,0,0,0|2,0,0]=3 1790 B11R1.17 Nc1cccnc1OCCO 34a_100000746358_100000211926 [0,1,0,0,0,0|1,0,0]=2 1791 B11R1.17 Nc1cccnc1SCCF 62a_100000688686_100011217306 [0,1,0,0,0,0|2,1,0]=4 1792 B11R1.17 Nc1cccnc1SCCF 62a_100011217306_100000688686 [0,1,0,0,0,0|2,1,0]=4 1793 B11R1.17 Nc1cccnc1SCCO 62a_100000211926_100000688686 [0,1,0,0,0,0|1,1,0]=3 1794 B11R1.17 Nc1cccnc1SCCO 62a_100000688686_100000211926 [0,1,0,0,0,0|1,1,0]=3 1795 B11R1.17 Nc1ccncc1OCC=O 34a_100000753702_200009817547 [0,1,0,0,0,0|1,0,2]=4 1796 B11R1.17 Nc1ccncc1OCCF 34a_100000753702_100011217306 [0,1,0,0,0,0|2,0,0]=3 1797 B11R1.17 Nc1ccncc1OCCO 34a_100000753702_100000211926 [0,1,0,0,0,0|1,0,0]=2 1798 B11R1.17 Nc1ccncc1SCCF 62a_100000047001_100011217306 [0,1,0,0,0,0|2,1,0]=4 1799 B11R1.17 Nc1ccncc1SCCF 62a_100011217306_100000047001 [0,1,0,0,0,0|2,1,0]=4 1800 B11R1.17 Nc1ccncc1SCCO 62a_100000047001_100000211926 [0,1,0,0,0,0|1,1,0]=3 1801 B11R1.17 Nc1ccncc1SCCO 62a_100000211926_100000047001 [0,1,0,0,0,0|1,1,0]=3 1802 B11R1.17 Nc1cnccc1SCCF 62a_100000756074_100011217306 [0,1,0,0,0,0|2,1,0]=4 1803 B11R1.17 Nc1cnccc1SCCF 62a_100011217306_100000756074 [0,1,0,0,0,0|2,1,0]=4 1804 B11R1.17 Nc1cnccc1SCCO 62a_100000211926_100000756074 [0,1,0,0,0,0|1,1,0]=3 1805 B11R1.17 Nc1cnccc1SCCO 62a_100000756074_100000211926 [0,1,0,0,0,0|1,1,0]=3 1806 B11R1.17 Nc1cncnc1NCCO 27a_100000210304_100000709731 [0,1,0,0,0,0|3,0,0]=4 1807 B11R1.17 Nc1cncnc1SCCO 62a_100000211926_100000709731 [0,1,0,0,0,0|2,1,0]=4 1808 B11R1.17 Nc1cncnc1SCCO 62a_100000709731_100000211926 [0,1,0,0,0,0|2,1,0]=4 1809 B11R1.17 Nc1cnncc1SCCO 62a_100000211926_100009829405 [0,1,0,0,0,0|2,1,0]=4 1810 B11R1.17 Nc1cnncc1SCCO 62a_100009829405_100000211926 [0,1,0,0,0,0|2,1,0]=4 1811 B11R1.17 Nc1ncccc1OCC=O 34a_100000211975_200009817547 [0,1,0,0,0,0|1,0,2]=4 1812 B11R1.17 Nc1ncccc1OCC=O 7a_100000211975_200015260668 [0,1,0,0,0,0|1,0,2]=4 1813 B11R1.17 Nc1ncccc1OCCF 34a_100000211975_100011217306 [0,1,0,0,0,0|2,0,0]=3 1814 B11R1.17 Nc1ncccc1OCCF 7a_100000211975_100011217306 [0,1,0,0,0,0|2,0,0]=3 1815 B11R1.17 Nc1ncccc1OCCO 34a_100000211975_100000211926 [0,1,0,0,0,0|1,0,0]=2 1816 B11R1.17 Nc1ncccc1OCCO 7a_100000211975_100000211926 [0,1,0,0,0,0|1,0,0]=2 1817 B11R1.17 Nc1ncccc1SCCF 62a_100000045569_100011217306 [0,1,0,0,0,0|2,1,0]=4 1818 B11R1.17 Nc1ncccc1SCCF 62a_100011217306_100000045569 [0,1,0,0,0,0|2,1,0]=4 1819 B11R1.17 Nc1ncccc1SCCO 62a_100000045569_100000211926 [0,1,0,0,0,0|1,1,0]=3 1820 B11R1.17 Nc1ncccc1SCCO 62a_100000211926_100000045569 [0,1,0,0,0,0|1,1,0]=3 1821 B11R1.17 Nc1nccnc1SCCO 62a_100000211926_100000747729 [0,1,0,0,0,0|2,1,0]=4 1822 B11R1.17 Nc1nccnc1SCCO 62a_100000747729_100000211926 [0,1,0,0,0,0|2,1,0]=4 1823 B11R1.17 Nc1ncncc1OCCF 7a_100000112926_100011217306 [0,1,0,0,0,0|3,0,0]=4 1824 B11R1.17 Nc1ncncc1OCCO 7a_100000112926_100000211926 [0,1,0,0,0,0|2,0,0]=3 1825 B11R1.17 Nc1ncncc1SCCO 62a_100000211926_100011996079 [0,1,0,0,0,0|2,1,0]=4 1826 B11R1.17 Nc1ncncc1SCCO 62a_100011996079_100000211926 [0,1,0,0,0,0|2,1,0]=4 1827 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [0,1,0,0,0,0|1,0,2]=4 1828 B11R1.17 O=CCNc1ccccc1Br 34a_100000210017_200009817547 [0,1,0,0,0,0|1,0,2]=4 1829 B11R1.17 O=CCNc1ccccc1Cl 34a_100000185783_200009817547 [0,1,0,0,0,0|1,0,2]=4 1830 B11R1.17 O=CCNc1ccccc1F 34a_100000210422_200009817547 [0,1,0,0,0,0|1,0,2]=4 1831 B11R1.17 O=CCNc1ccccc1I 34a_100000210053_200009817547 [0,1,0,0,0,0|1,0,2]=4 1832 B11R1.17 O=CCNc1ccccc1O 34a_100000185747_200009817547 [0,1,0,0,0,0|1,0,2]=4 1833 B11R1.17 O=CCOc1cccc[n+]1[O-] 7a_100000211761_200015260668 [0,1,0,0,0,0|1,0,2]=4 1834 B11R1.17 O=CCOc1ccccc1Br 34a_100000181306_200009817547 [0,1,0,0,0,0|0,0,2]=3 1835 B11R1.17 O=CCOc1ccccc1Br 7a_100000181306_200015260668 [0,1,0,0,0,0|0,0,2]=3 1836 B11R1.17 O=CCOc1ccccc1Cl 34a_100000210172_200009817547 [0,1,0,0,0,0|0,0,2]=3 1837 B11R1.17 O=CCOc1ccccc1Cl 7a_100000210172_200015260668 [0,1,0,0,0,0|0,0,2]=3 1838 B11R1.17 O=CCOc1ccccc1F 34a_100000210171_200009817547 [0,1,0,0,0,0|0,0,2]=3 1839 B11R1.17 O=CCOc1ccccc1F 7a_100000210171_200015260668 [0,1,0,0,0,0|0,0,2]=3 1840 B11R1.17 O=CCOc1ccccc1I 34a_100000739446_200009817547 [0,1,0,0,0,0|0,0,2]=3 1841 B11R1.17 O=CCOc1ccccc1I 7a_100000739446_200015260668 [0,1,0,0,0,0|0,0,2]=3 1842 B11R1.17 O=CCOc1cccnc1Br 34a_100000744436_200009817547 [0,1,0,0,0,0|1,0,2]=4 1843 B11R1.17 O=CCOc1cccnc1Br 7a_100000744436_200015260668 [0,1,0,0,0,0|1,0,2]=4 1844 B11R1.17 O=CCOc1cccnc1Cl 34a_100000757616_200009817547 [0,1,0,0,0,0|1,0,2]=4 1845 B11R1.17 O=CCOc1cccnc1Cl 7a_100000757616_200015260668 [0,1,0,0,0,0|1,0,2]=4 1846 B11R1.17 O=CCOc1cccnc1F 34a_100000061740_200009817547 [0,1,0,0,0,0|1,0,2]=4 1847 B11R1.17 O=CCOc1cccnc1F 7a_100000061740_200015260668 [0,1,0,0,0,0|1,0,2]=4 1848 B11R1.17 O=CCOc1cccnc1I 34a_100000034122_200009817547 [0,1,0,0,0,0|1,0,2]=4 1849 B11R1.17 O=CCOc1cccnc1I 7a_100000034122_200015260668 [0,1,0,0,0,0|1,0,2]=4 1850 B11R1.17 O=CCOc1cccoc1=O 34a_100000077404_200009817547 [0,1,0,0,0,0|1,0,2]=4 1851 B11R1.17 O=CCOc1cccoc1=O 7a_100000077404_200015260668 [0,1,0,0,0,0|1,0,2]=4 1852 B11R1.17 O=CCOc1ccncc1Br 34a_100011996408_200009817547 [0,1,0,0,0,0|1,0,2]=4 1853 B11R1.17 O=CCOc1ccncc1Cl 34a_100011997054_200009817547 [0,1,0,0,0,0|1,0,2]=4 1854 B11R1.17 O=CCOc1ccncc1F 34a_200000081243_200009817547 [0,1,0,0,0,0|1,0,2]=4 1855 B11R1.17 O=CCOc1cnccc1Cl 34a_100011996695_200009817547 [0,1,0,0,0,0|1,0,2]=4 1856 B11R1.17 O=CCOc1cnccc1I 34a_100000050107_200009817547 [0,1,0,0,0,0|1,0,2]=4 1857 B11R1.17 O=CCOc1coccc1=O 34a_100000060831_200009817547 [0,1,0,0,0,0|1,0,2]=4 1858 B11R1.17 O=CCOc1ncccc1Cl 34a_100011290957_200009817547 [0,1,0,0,0,0|1,0,2]=4 1859 B11R1.17 O=CCOc1ncccc1F 34a_100011219419_200009817547 [0,1,0,0,0,0|1,0,2]=4 1860 B11R1.17 O=CCSc1ccccc1Br 62a_100000695589_200015260668 [0,1,0,0,0,0|0,1,2]=4 1861 B11R1.17 O=CCSc1ccccc1Br 62a_200015260668_100000695589 [0,1,0,0,0,0|0,1,2]=4 1862 B11R1.17 O=CCSc1ccccc1Cl 62a_100000764095_200015260668 [0,1,0,0,0,0|0,1,2]=4 1863 B11R1.17 O=CCSc1ccccc1Cl 62a_200015260668_100000764095 [0,1,0,0,0,0|0,1,2]=4 1864 B11R1.17 O=CCSc1ccccc1F 62a_100011215700_200015260668 [0,1,0,0,0,0|0,1,2]=4 1865 B11R1.17 O=CCSc1ccccc1F 62a_200015260668_100011215700 [0,1,0,0,0,0|0,1,2]=4 1866 B11R1.17 O=CCSc1ccccc1O 62a_100000739446_200015260668 [0,1,0,0,0,0|0,1,2]=4 1867 B11R1.17 O=CCSc1ccccc1O 62a_200015260668_100000739446 [0,1,0,0,0,0|0,1,2]=4 1868 B11R1.17 O=c1[nH]ccnc1SCCO 62a_100000211926_100000763361 [0,1,0,0,0,0|2,1,0]=4 1869 B11R1.17 O=c1[nH]nccc1NCCO 27a_100000210304_100000087129 [0,1,0,0,0,0|3,0,0]=4 1870 B11R1.17 O=c1[nH]nccc1SCCO 62a_100000211926_100000087129 [0,1,0,0,0,0|2,1,0]=4 1871 B11R1.17 O=c1cc[nH]cc1SCCF 62a_100009998708_100011217306 [0,1,0,0,0,0|2,1,0]=4 1872 B11R1.17 O=c1cc[nH]cc1SCCF 62a_100011217306_100009998708 [0,1,0,0,0,0|2,1,0]=4 1873 B11R1.17 O=c1cc[nH]cc1SCCO 62a_100000211926_100009998708 [0,1,0,0,0,0|1,1,0]=3 1874 B11R1.17 O=c1cc[nH]cc1SCCO 62a_100009998708_100000211926 [0,1,0,0,0,0|1,1,0]=3 1875 B11R1.17 O=c1ccocc1OCCF 34a_100000060831_100011217306 [0,1,0,0,0,0|2,0,0]=3 1876 B11R1.17 O=c1ccocc1OCCO 34a_100000060831_100000211926 [0,1,0,0,0,0|1,0,0]=2 1877 B11R1.17 O=c1occcc1OCCF 34a_100000077404_100011217306 [0,1,0,0,0,0|2,0,0]=3 1878 B11R1.17 O=c1occcc1OCCF 7a_100000077404_100011217306 [0,1,0,0,0,0|2,0,0]=3 1879 B11R1.17 O=c1occcc1OCCO 34a_100000077404_100000211926 [0,1,0,0,0,0|1,0,0]=2 1880 B11R1.17 O=c1occcc1OCCO 7a_100000077404_100000211926 [0,1,0,0,0,0|1,0,0]=2 1881 B11R1.17 OCC#Cc1ccccc1O 271570a_203496583355_100009814404 [0,1,0,0,0,0|1,0,1]=3 1882 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [0,1,0,0,0,0|1,0,0]=2 1883 B11R1.17 OCCNc1ccccc1Br 34a_100000210017_100000211926 [0,1,0,0,0,0|1,0,0]=2 1884 B11R1.17 OCCNc1ccccc1Cl 34a_100000185783_100000211926 [0,1,0,0,0,0|1,0,0]=2 1885 B11R1.17 OCCNc1ccccc1F 34a_100000210422_100000211926 [0,1,0,0,0,0|1,0,0]=2 1886 B11R1.17 OCCNc1ccccc1I 34a_100000210053_100000211926 [0,1,0,0,0,0|1,0,0]=2 1887 B11R1.17 OCCNc1ccccc1O 34a_100000185747_100000211926 [0,1,0,0,0,0|1,0,0]=2 1888 B11R1.17 OCCNc1ccncc1Br 27a_100000210304_100000726257 [0,1,0,0,0,0|2,0,0]=3 1889 B11R1.17 OCCNc1ccncc1F 27a_100000210304_100000035921 [0,1,0,0,0,0|2,0,0]=3 1890 B11R1.17 OCCNc1ncccc1Br 27a_100000210304_100000696092 [0,1,0,0,0,0|2,0,0]=3 1891 B11R1.17 OCCNc1ncccc1O 271570a_203496583355_200011464885 [0,1,0,0,0,0|2,0,0]=3 1892 B11R1.17 OCCNc1nccnc1F 27a_100000210304_200010125657 [0,1,0,0,0,0|3,0,0]=4 1893 B11R1.17 OCCNc1nccnc1O 271570a_203496583355_200011219046 [0,1,0,0,0,0|3,0,0]=4 1894 B11R1.17 OCCNc1ncncc1F 27a_100000210304_100000069762 [0,1,0,0,0,0|3,0,0]=4 1895 B11R1.17 OCCOc1ccccc1Br 34a_100000181306_100000211926 [0,1,0,0,0,0|0,0,0]=1 1896 B11R1.17 OCCOc1ccccc1Br 7a_100000181306_100000211926 [0,1,0,0,0,0|0,0,0]=1 1897 B11R1.17 OCCOc1ccccc1Cl 34a_100000210172_100000211926 [0,1,0,0,0,0|0,0,0]=1 1898 B11R1.17 OCCOc1ccccc1Cl 7a_100000210172_100000211926 [0,1,0,0,0,0|0,0,0]=1 1899 B11R1.17 OCCOc1ccccc1F 34a_100000210171_100000211926 [0,1,0,0,0,0|0,0,0]=1 1900 B11R1.17 OCCOc1ccccc1F 7a_100000210171_100000211926 [0,1,0,0,0,0|0,0,0]=1 1901 B11R1.17 OCCOc1ccccc1I 34a_100000739446_100000211926 [0,1,0,0,0,0|0,0,0]=1 1902 B11R1.17 OCCOc1ccccc1I 7a_100000739446_100000211926 [0,1,0,0,0,0|0,0,0]=1 1903 B11R1.17 OCCOc1ccccc1O 271570a_203496583355_100000230753 [0,1,0,0,0,0|0,0,0]=1 1904 B11R1.17 OCCOc1cccnc1Br 34a_100000744436_100000211926 [0,1,0,0,0,0|1,0,0]=2 1905 B11R1.17 OCCOc1cccnc1Br 7a_100000744436_100000211926 [0,1,0,0,0,0|1,0,0]=2 1906 B11R1.17 OCCOc1cccnc1Cl 34a_100000757616_100000211926 [0,1,0,0,0,0|1,0,0]=2 1907 B11R1.17 OCCOc1cccnc1Cl 7a_100000757616_100000211926 [0,1,0,0,0,0|1,0,0]=2 1908 B11R1.17 OCCOc1cccnc1F 34a_100000061740_100000211926 [0,1,0,0,0,0|1,0,0]=2 1909 B11R1.17 OCCOc1cccnc1F 7a_100000061740_100000211926 [0,1,0,0,0,0|1,0,0]=2 1910 B11R1.17 OCCOc1cccnc1I 34a_100000034122_100000211926 [0,1,0,0,0,0|1,0,0]=2 1911 B11R1.17 OCCOc1cccnc1I 7a_100000034122_100000211926 [0,1,0,0,0,0|1,0,0]=2 1912 B11R1.17 OCCOc1ccncc1Br 34a_100011996408_100000211926 [0,1,0,0,0,0|1,0,0]=2 1913 B11R1.17 OCCOc1ccncc1Cl 34a_100011997054_100000211926 [0,1,0,0,0,0|1,0,0]=2 1914 B11R1.17 OCCOc1ccncc1F 34a_200000081243_100000211926 [0,1,0,0,0,0|1,0,0]=2 1915 B11R1.17 OCCOc1cnccc1Cl 34a_100011996695_100000211926 [0,1,0,0,0,0|1,0,0]=2 1916 B11R1.17 OCCOc1cnccc1I 34a_100000050107_100000211926 [0,1,0,0,0,0|1,0,0]=2 1917 B11R1.17 OCCOc1ncccc1Cl 34a_100011290957_100000211926 [0,1,0,0,0,0|1,0,0]=2 1918 B11R1.17 OCCOc1ncccc1F 34a_100011219419_100000211926 [0,1,0,0,0,0|1,0,0]=2 1919 B11R1.17 OCCSc1c[nH]ccc1=S 62a_100000211926_200012280681 [0,1,0,0,0,0|1,1,0]=3 1920 B11R1.17 OCCSc1c[nH]ccc1=S 62a_200012280681_100000211926 [0,1,0,0,0,0|1,1,0]=3 1921 B11R1.17 OCCSc1ccccc1Br 62a_100000211926_100000695589 [0,1,0,0,0,0|0,1,0]=2 1922 B11R1.17 OCCSc1ccccc1Br 62a_100000695589_100000211926 [0,1,0,0,0,0|0,1,0]=2 1923 B11R1.17 OCCSc1ccccc1Cl 62a_100000211926_100000764095 [0,1,0,0,0,0|0,1,0]=2 1924 B11R1.17 OCCSc1ccccc1Cl 62a_100000764095_100000211926 [0,1,0,0,0,0|0,1,0]=2 1925 B11R1.17 OCCSc1ccccc1F 62a_100000211926_100011215700 [0,1,0,0,0,0|0,1,0]=2 1926 B11R1.17 OCCSc1ccccc1F 62a_100011215700_100000211926 [0,1,0,0,0,0|0,1,0]=2 1927 B11R1.17 OCCSc1ccccc1O 271570a_203496583355_200000230852 [0,1,0,0,0,0|0,1,0]=2 1928 B11R1.17 OCCSc1ccccc1O 62a_100000211926_100000739446 [0,1,0,0,0,0|0,1,0]=2 1929 B11R1.17 OCCSc1ccccc1O 62a_100000739446_100000211926 [0,1,0,0,0,0|0,1,0]=2 1930 B11R1.17 OCCSc1cccnc1Br 62a_100000211926_100010202626 [0,1,0,0,0,0|1,1,0]=3 1931 B11R1.17 OCCSc1cccnc1Br 62a_100010202626_100000211926 [0,1,0,0,0,0|1,1,0]=3 1932 B11R1.17 OCCSc1cccnc1Cl 62a_100000036424_100000211926 [0,1,0,0,0,0|1,1,0]=3 1933 B11R1.17 OCCSc1cccnc1Cl 62a_100000211926_100000036424 [0,1,0,0,0,0|1,1,0]=3 1934 B11R1.17 OCCSc1cccnc1F 62a_100000211926_100009816115 [0,1,0,0,0,0|1,1,0]=3 1935 B11R1.17 OCCSc1cccnc1F 62a_100009816115_100000211926 [0,1,0,0,0,0|1,1,0]=3 1936 B11R1.17 OCCSc1cccnc1O 62a_100000211926_100000760158 [0,1,0,0,0,0|1,1,0]=3 1937 B11R1.17 OCCSc1cccnc1O 62a_100000760158_100000211926 [0,1,0,0,0,0|1,1,0]=3 1938 B11R1.17 OCCSc1ccncc1Br 62a_100000211926_100000726257 [0,1,0,0,0,0|1,1,0]=3 1939 B11R1.17 OCCSc1ccncc1Br 62a_100000726257_100000211926 [0,1,0,0,0,0|1,1,0]=3 1940 B11R1.17 OCCSc1ccncc1Cl 62a_100000211926_100000708259 [0,1,0,0,0,0|1,1,0]=3 1941 B11R1.17 OCCSc1ccncc1Cl 62a_100000708259_100000211926 [0,1,0,0,0,0|1,1,0]=3 1942 B11R1.17 OCCSc1ccncc1F 62a_100000047030_100000211926 [0,1,0,0,0,0|1,1,0]=3 1943 B11R1.17 OCCSc1ccncc1F 62a_100000211926_100000047030 [0,1,0,0,0,0|1,1,0]=3 1944 B11R1.17 OCCSc1ccncc1O 62a_100000211926_100009817591 [0,1,0,0,0,0|1,1,0]=3 1945 B11R1.17 OCCSc1ccncc1O 62a_100009817591_100000211926 [0,1,0,0,0,0|1,1,0]=3 1946 B11R1.17 OCCSc1cnccc1Br 62a_100000211926_100010138639 [0,1,0,0,0,0|1,1,0]=3 1947 B11R1.17 OCCSc1cnccc1Br 62a_100010138639_100000211926 [0,1,0,0,0,0|1,1,0]=3 1948 B11R1.17 OCCSc1cnccc1Cl 62a_100000211926_100009995489 [0,1,0,0,0,0|1,1,0]=3 1949 B11R1.17 OCCSc1cnccc1Cl 62a_100009995489_100000211926 [0,1,0,0,0,0|1,1,0]=3 1950 B11R1.17 OCCSc1cnccc1F 62a_100000211926_100009820683 [0,1,0,0,0,0|1,1,0]=3 1951 B11R1.17 OCCSc1cnccc1F 62a_100009820683_100000211926 [0,1,0,0,0,0|1,1,0]=3 1952 B11R1.17 OCCSc1cncnc1Br 62a_100000211926_200012461658 [0,1,0,0,0,0|2,1,0]=4 1953 B11R1.17 OCCSc1cncnc1Br 62a_200012461658_100000211926 [0,1,0,0,0,0|2,1,0]=4 1954 B11R1.17 OCCSc1cncnc1Cl 62a_100000211926_100000758962 [0,1,0,0,0,0|2,1,0]=4 1955 B11R1.17 OCCSc1cncnc1Cl 62a_100000758962_100000211926 [0,1,0,0,0,0|2,1,0]=4 1956 B11R1.17 OCCSc1cncnc1O 62a_100000211926_100000751107 [0,1,0,0,0,0|2,1,0]=4 1957 B11R1.17 OCCSc1cncnc1O 62a_100000751107_100000211926 [0,1,0,0,0,0|2,1,0]=4 1958 B11R1.17 OCCSc1ncccc1Br 62a_100000211926_100000696092 [0,1,0,0,0,0|1,1,0]=3 1959 B11R1.17 OCCSc1ncccc1Br 62a_100000696092_100000211926 [0,1,0,0,0,0|1,1,0]=3 1960 B11R1.17 OCCSc1ncccc1Cl 62a_100000211926_100011356963 [0,1,0,0,0,0|1,1,0]=3 1961 B11R1.17 OCCSc1ncccc1Cl 62a_100011356963_100000211926 [0,1,0,0,0,0|1,1,0]=3 1962 B11R1.17 OCCSc1ncccc1F 62a_100000211926_100000685392 [0,1,0,0,0,0|1,1,0]=3 1963 B11R1.17 OCCSc1ncccc1F 62a_100000685392_100000211926 [0,1,0,0,0,0|1,1,0]=3 1964 B11R1.17 OCCSc1ncccc1O 62a_100000034122_100000211926 [0,1,0,0,0,0|1,1,0]=3 1965 B11R1.17 OCCSc1ncccc1O 62a_100000211926_100000034122 [0,1,0,0,0,0|1,1,0]=3 1966 B11R1.17 OCCSc1nccnc1Cl 62a_100000211926_100010886584 [0,1,0,0,0,0|2,1,0]=4 1967 B11R1.17 OCCSc1nccnc1Cl 62a_100010886584_100000211926 [0,1,0,0,0,0|2,1,0]=4 1968 B11R1.17 OCCSc1nccnc1F 62a_100000211926_200010125657 [0,1,0,0,0,0|2,1,0]=4 1969 B11R1.17 OCCSc1nccnc1F 62a_200010125657_100000211926 [0,1,0,0,0,0|2,1,0]=4 1970 B11R1.17 OCCSc1ncncc1F 62a_100000069762_100000211926 [0,1,0,0,0,0|2,1,0]=4 1971 B11R1.17 OCCSc1ncncc1F 62a_100000211926_100000069762 [0,1,0,0,0,0|2,1,0]=4 1972 B11R1.17 Oc1ccccc1CNCF 34a_100000185550_100015361967 [0,1,0,0,0,0|3,0,0]=4 1973 B11R1.17 Oc1ccccc1NCCF 34a_100000185747_100011217306 [0,1,0,0,0,0|2,0,0]=3 1974 B11R1.17 Oc1ccccc1SCCF 62a_100000739446_100011217306 [0,1,0,0,0,0|1,1,0]=3 1975 B11R1.17 Oc1ccccc1SCCF 62a_100011217306_100000739446 [0,1,0,0,0,0|1,1,0]=3 1976 B11R1.17 Oc1cccnc1SCCF 62a_100000034122_100011217306 [0,1,0,0,0,0|2,1,0]=4 1977 B11R1.17 Oc1cccnc1SCCF 62a_100011217306_100000034122 [0,1,0,0,0,0|2,1,0]=4 1978 B11R1.17 Oc1cnccc1SCCF 62a_100009817591_100011217306 [0,1,0,0,0,0|2,1,0]=4 1979 B11R1.17 Oc1cnccc1SCCF 62a_100011217306_100009817591 [0,1,0,0,0,0|2,1,0]=4 1980 B11R1.17 Oc1ncccc1OCCF 271570a_203496583355_100012814765 [0,1,0,0,0,0|2,0,0]=3 1981 B11R1.17 Oc1ncccc1SCCF 62a_100000760158_100011217306 [0,1,0,0,0,0|2,1,0]=4 1982 B11R1.17 Oc1ncccc1SCCF 62a_100011217306_100000760158 [0,1,0,0,0,0|2,1,0]=4 1983 B11R1.17 [13CH3]NCCc1ccccc1Br 2230a_100000747383_200025704644 [0,1,0,0,0,0|3,0,0]=4 1984 B11R1.17 [13CH3]NCCc1ccccc1Br 34a_100000747383_200025704644 [0,1,0,0,0,0|3,0,0]=4 1985 B11R1.17 [13CH3]NCCc1ccccc1Cl 2230a_100011207228_200025704644 [0,1,0,0,0,0|3,0,0]=4 1986 B11R1.17 [13CH3]NCCc1ccccc1Cl 34a_100011207228_200025704644 [0,1,0,0,0,0|3,0,0]=4 1987 B11R1.17 [13CH3]NCCc1ccccc1F 2230a_100000185272_200025704644 [0,1,0,0,0,0|3,0,0]=4 1988 B11R1.17 [13CH3]NCCc1ccccc1F 34a_100000185272_200025704644 [0,1,0,0,0,0|3,0,0]=4 1989 B11R1.17 [13CH3]NCCc1ccccc1O 34a_100011207237_200025704644 [0,1,0,0,0,0|3,0,0]=4 1990 B11R1.17 [13CH3]OCCc1ccccc1Br 34a_100000731337_200025704644 [0,1,0,0,0,0|3,0,0]=4 1991 B11R1.17 [13CH3]OCCc1ccccc1Br 7a_100000731337_200025704644 [0,1,0,0,0,0|3,0,0]=4 1992 B11R1.17 [13CH3]OCCc1ccccc1Cl 34a_100011215284_200025704644 [0,1,0,0,0,0|3,0,0]=4 1993 B11R1.17 [13CH3]OCCc1ccccc1Cl 7a_100011215284_200025704644 [0,1,0,0,0,0|3,0,0]=4 1994 B11R1.17 [13CH3]OCCc1ccccc1F 34a_100000753711_200025704644 [0,1,0,0,0,0|3,0,0]=4 1995 B11R1.17 [13CH3]OCCc1ccccc1F 7a_100000753711_200025704644 [0,1,0,0,0,0|3,0,0]=4 1996 B11R1.17 [13CH3]OCCc1ccccc1I 34a_100010255290_200025704644 [0,1,0,0,0,0|3,0,0]=4 1997 B11R1.17 [13CH3]OCCc1ccccc1I 7a_100010255290_200025704644 [0,1,0,0,0,0|3,0,0]=4 1998 B11R1.17 [13CH3]OCCc1ccccc1N 34a_100011215289_200025704644 [0,1,0,0,0,0|3,0,0]=4 1999 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_100012161201_200025704644 [0,1,0,0,0,0|3,0,0]=4 2000 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_200025704644_100012161201 [0,1,0,0,0,0|3,0,0]=4 2001 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_100011713703_200025704644 [0,1,0,0,0,0|3,0,0]=4 2002 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_200025704644_100011713703 [0,1,0,0,0,0|3,0,0]=4 2003 B11R1.17 [13CH3]SCCc1ccccc1F 62a_100011713696_200025704644 [0,1,0,0,0,0|3,0,0]=4 2004 B11R1.17 [13CH3]SCCc1ccccc1F 62a_200025704644_100011713696 [0,1,0,0,0,0|3,0,0]=4 2005 B11R1.17 [13CH3]SCCc1ccccc1O 62a_100000722297_200025704644 [0,1,0,0,0,0|3,0,0]=4 2006 B11R1.17 [13CH3]SCCc1ccccc1O 62a_200025704644_100000722297 [0,1,0,0,0,0|3,0,0]=4 2007 B11R1.17 [O-][n+]1ccccc1OCCF 7a_100000211761_100011217306 [0,1,0,0,0,0|2,0,0]=3 2008 B11R1.17 [O-][n+]1ccccc1OCCO 7a_100000211761_100000211926 [0,1,0,0,0,0|1,0,0]=2 2009 B11R1.17 [O-][n+]1ccccc1SCCF 62a_100011217306_200000042595 [0,1,0,0,0,0|2,1,0]=4 2010 B11R1.17 [O-][n+]1ccccc1SCCO 62a_100000211926_200000042595 [0,1,0,0,0,0|1,1,0]=3 2011 B11R1.24 C#CCNc1cccc(c1)Br 34a_100000210019_100000184674 [0,1,0,0,0,0|2,0,1]=4 2012 B11R1.24 C#CCNc1cccc(c1)C 2230a_100000188690_100000038162 [0,1,0,0,0,0|2,0,1]=4 2013 B11R1.24 C#CCNc1cccc(c1)C 34a_100000188690_100000184674 [0,1,0,0,0,0|2,0,1]=4 2014 B11R1.24 C#CCNc1cccc(c1)Cl 34a_100000185859_100000184674 [0,1,0,0,0,0|2,0,1]=4 2015 B11R1.24 C#CCNc1cccc(c1)F 34a_100000210047_100000184674 [0,1,0,0,0,0|2,0,1]=4 2016 B11R1.24 C#CCNc1cccc(c1)I 34a_100000211102_100000184674 [0,1,0,0,0,0|2,0,1]=4 2017 B11R1.24 C#CCNc1cccc(c1)O 34a_100000210217_100000184674 [0,1,0,0,0,0|2,0,1]=4 2018 B11R1.24 C#CCOc1cc[nH]c(=O)c1 34a_100000032262_100000184674 [0,1,0,0,0,0|2,0,1]=4 2019 B11R1.24 C#CCOc1ccc[n+](c1)[O-] 34a_100000039713_100000184674 [0,1,0,0,0,0|2,0,1]=4 2020 B11R1.24 C#CCOc1ccc[n+](c1)[O-] 7a_100000039713_100000038162 [0,1,0,0,0,0|2,0,1]=4 2021 B11R1.24 C#CCOc1cccc(=O)[nH]1 34a_100000033347_100000184674 [0,1,0,0,0,0|2,0,1]=4 2022 B11R1.24 C#CCOc1cccc(c1)Br 34a_100000210342_100000184674 [0,1,0,0,0,0|1,0,1]=3 2023 B11R1.24 C#CCOc1cccc(c1)Br 7a_100000210342_100000038162 [0,1,0,0,0,0|1,0,1]=3 2024 B11R1.24 C#CCOc1cccc(c1)C 34a_100000210337_100000184674 [0,1,0,0,0,0|1,0,1]=3 2025 B11R1.24 C#CCOc1cccc(c1)C 7a_100000210337_100000038162 [0,1,0,0,0,0|1,0,1]=3 2026 B11R1.24 C#CCOc1cccc(c1)Cl 34a_100000210295_100000184674 [0,1,0,0,0,0|1,0,1]=3 2027 B11R1.24 C#CCOc1cccc(c1)Cl 7a_100000210295_100000038162 [0,1,0,0,0,0|1,0,1]=3 2028 B11R1.24 C#CCOc1cccc(c1)F 34a_100000210426_100000184674 [0,1,0,0,0,0|1,0,1]=3 2029 B11R1.24 C#CCOc1cccc(c1)F 7a_100000210426_100000038162 [0,1,0,0,0,0|1,0,1]=3 2030 B11R1.24 C#CCOc1cccc(c1)I 34a_100000211634_100000184674 [0,1,0,0,0,0|1,0,1]=3 2031 B11R1.24 C#CCOc1cccc(c1)I 7a_100000211634_100000038162 [0,1,0,0,0,0|1,0,1]=3 2032 B11R1.24 C#CCOc1cccc(c1)N 34a_100000210217_100000184674 [0,1,0,0,0,0|1,0,1]=3 2033 B11R1.24 C#CCOc1cccc(n1)F 34a_100011432558_100000184674 [0,1,0,0,0,0|2,0,1]=4 2034 B11R1.24 C#CCOc1ccnc(c1)C 34a_100000688365_100000184674 [0,1,0,0,0,0|2,0,1]=4 2035 B11R1.24 C#CCOc1ccnc(c1)Cl 34a_100000762945_100000184674 [0,1,0,0,0,0|2,0,1]=4 2036 B11R1.24 C#CCOc1ccnc(c1)F 34a_100000732698_100000184674 [0,1,0,0,0,0|2,0,1]=4 2037 B11R1.24 C#CCOc1ccnc(c1)N 34a_100011834064_100000184674 [0,1,0,0,0,0|2,0,1]=4 2038 B11R1.24 C#CCOc1cncc(c1)Br 34a_100000754920_100000184674 [0,1,0,0,0,0|2,0,1]=4 2039 B11R1.24 C#CCOc1cncc(c1)Br 7a_100000754920_100000038162 [0,1,0,0,0,0|2,0,1]=4 2040 B11R1.24 C#CCOc1cncc(c1)C 34a_100011830280_100000184674 [0,1,0,0,0,0|2,0,1]=4 2041 B11R1.24 C#CCOc1cncc(c1)C 7a_100011830280_100000038162 [0,1,0,0,0,0|2,0,1]=4 2042 B11R1.24 C#CCOc1cncc(c1)Cl 7a_100000032511_100000038162 [0,1,0,0,0,0|2,0,1]=4 2043 B11R1.24 C#CCOc1cncc(c1)F 34a_100011830296_100000184674 [0,1,0,0,0,0|2,0,1]=4 2044 B11R1.24 C#CCOc1cncc(c1)F 7a_100011830296_100000038162 [0,1,0,0,0,0|2,0,1]=4 2045 B11R1.24 C#CCOc1cncc(c1)N 34a_100011997051_100000184674 [0,1,0,0,0,0|2,0,1]=4 2046 B11R1.24 C#CCSc1cccc(c1)Br 62a_100000038162_100000691529 [0,1,0,0,0,0|1,1,1]=4 2047 B11R1.24 C#CCSc1cccc(c1)C 62a_100000038162_100011215228 [0,1,0,0,0,0|1,1,1]=4 2048 B11R1.24 C#CCSc1cccc(c1)Cl 62a_100000038162_100000699651 [0,1,0,0,0,0|1,1,1]=4 2049 B11R1.24 C#CCSc1cccc(c1)F 62a_100000038162_100000685547 [0,1,0,0,0,0|1,1,1]=4 2050 B11R1.24 C#CCSc1cccc(c1)N 62a_100000038162_100000210019 [0,1,0,0,0,0|1,1,1]=4 2051 B11R1.24 C#CCSc1cccc(c1)O 62a_100000038162_100000211634 [0,1,0,0,0,0|1,1,1]=4 2052 B11R1.24 C#CCSc1cccc(c1)[S] 62a_100000038162_114929384022 [0,1,0,0,0,0|1,1,1]=4 2053 B11R1.24 C=CCNc1cccc(c1)Br 34a_100000210019_100015514636 [0,1,0,0,0,0|2,0,1]=4 2054 B11R1.24 C=CCNc1cccc(c1)C 2230a_100000188690_100000210623 [0,1,0,0,0,0|2,0,1]=4 2055 B11R1.24 C=CCNc1cccc(c1)C 34a_100000188690_100015514636 [0,1,0,0,0,0|2,0,1]=4 2056 B11R1.24 C=CCNc1cccc(c1)Cl 34a_100000185859_100015514636 [0,1,0,0,0,0|2,0,1]=4 2057 B11R1.24 C=CCNc1cccc(c1)F 34a_100000210047_100015514636 [0,1,0,0,0,0|2,0,1]=4 2058 B11R1.24 C=CCNc1cccc(c1)I 34a_100000211102_100015514636 [0,1,0,0,0,0|2,0,1]=4 2059 B11R1.24 C=CCNc1cccc(c1)O 34a_100000210217_100015514636 [0,1,0,0,0,0|2,0,1]=4 2060 B11R1.24 C=CCOc1cc[nH]c(=O)c1 34a_100000032262_100015514636 [0,1,0,0,0,0|2,0,1]=4 2061 B11R1.24 C=CCOc1ccc[n+](c1)[O-] 34a_100000039713_100015514636 [0,1,0,0,0,0|2,0,1]=4 2062 B11R1.24 C=CCOc1ccc[n+](c1)[O-] 7a_100000039713_100015514636 [0,1,0,0,0,0|2,0,1]=4 2063 B11R1.24 C=CCOc1cccc(=O)[nH]1 34a_100000033347_100015514636 [0,1,0,0,0,0|2,0,1]=4 2064 B11R1.24 C=CCOc1cccc(c1)Br 34a_100000210342_100015514636 [0,1,0,0,0,0|1,0,1]=3 2065 B11R1.24 C=CCOc1cccc(c1)Br 7a_100000210342_100015514636 [0,1,0,0,0,0|1,0,1]=3 2066 B11R1.24 C=CCOc1cccc(c1)C 34a_100000210337_100015514636 [0,1,0,0,0,0|1,0,1]=3 2067 B11R1.24 C=CCOc1cccc(c1)C 7a_100000210337_100015514636 [0,1,0,0,0,0|1,0,1]=3 2068 B11R1.24 C=CCOc1cccc(c1)Cl 34a_100000210295_100015514636 [0,1,0,0,0,0|1,0,1]=3 2069 B11R1.24 C=CCOc1cccc(c1)Cl 7a_100000210295_100015514636 [0,1,0,0,0,0|1,0,1]=3 2070 B11R1.24 C=CCOc1cccc(c1)F 34a_100000210426_100015514636 [0,1,0,0,0,0|1,0,1]=3 2071 B11R1.24 C=CCOc1cccc(c1)F 7a_100000210426_100015514636 [0,1,0,0,0,0|1,0,1]=3 2072 B11R1.24 C=CCOc1cccc(c1)I 34a_100000211634_100015514636 [0,1,0,0,0,0|1,0,1]=3 2073 B11R1.24 C=CCOc1cccc(c1)I 7a_100000211634_100015514636 [0,1,0,0,0,0|1,0,1]=3 2074 B11R1.24 C=CCOc1cccc(c1)N 34a_100000210217_100015514636 [0,1,0,0,0,0|1,0,1]=3 2075 B11R1.24 C=CCOc1cccc(n1)F 34a_100011432558_100015514636 [0,1,0,0,0,0|2,0,1]=4 2076 B11R1.24 C=CCOc1ccnc(c1)C 34a_100000688365_100015514636 [0,1,0,0,0,0|2,0,1]=4 2077 B11R1.24 C=CCOc1ccnc(c1)Cl 34a_100000762945_100015514636 [0,1,0,0,0,0|2,0,1]=4 2078 B11R1.24 C=CCOc1ccnc(c1)F 34a_100000732698_100015514636 [0,1,0,0,0,0|2,0,1]=4 2079 B11R1.24 C=CCOc1ccnc(c1)N 34a_100011834064_100015514636 [0,1,0,0,0,0|2,0,1]=4 2080 B11R1.24 C=CCOc1cncc(c1)Br 34a_100000754920_100015514636 [0,1,0,0,0,0|2,0,1]=4 2081 B11R1.24 C=CCOc1cncc(c1)Br 7a_100000754920_100015514636 [0,1,0,0,0,0|2,0,1]=4 2082 B11R1.24 C=CCOc1cncc(c1)C 34a_100011830280_100015514636 [0,1,0,0,0,0|2,0,1]=4 2083 B11R1.24 C=CCOc1cncc(c1)C 7a_100011830280_100015514636 [0,1,0,0,0,0|2,0,1]=4 2084 B11R1.24 C=CCOc1cncc(c1)Cl 7a_100000032511_100015514636 [0,1,0,0,0,0|2,0,1]=4 2085 B11R1.24 C=CCOc1cncc(c1)F 34a_100011830296_100015514636 [0,1,0,0,0,0|2,0,1]=4 2086 B11R1.24 C=CCOc1cncc(c1)F 7a_100011830296_100015514636 [0,1,0,0,0,0|2,0,1]=4 2087 B11R1.24 C=CCOc1cncc(c1)N 34a_100011997051_100015514636 [0,1,0,0,0,0|2,0,1]=4 2088 B11R1.24 C=CCSc1cccc(c1)Br 62a_100000210623_100000691529 [0,1,0,0,0,0|1,1,1]=4 2089 B11R1.24 C=CCSc1cccc(c1)Br 62a_100000691529_100000210623 [0,1,0,0,0,0|1,1,1]=4 2090 B11R1.24 C=CCSc1cccc(c1)C 62a_100000210623_100011215228 [0,1,0,0,0,0|1,1,1]=4 2091 B11R1.24 C=CCSc1cccc(c1)C 62a_100011215228_100000210623 [0,1,0,0,0,0|1,1,1]=4 2092 B11R1.24 C=CCSc1cccc(c1)Cl 62a_100000210623_100000699651 [0,1,0,0,0,0|1,1,1]=4 2093 B11R1.24 C=CCSc1cccc(c1)Cl 62a_100000699651_100000210623 [0,1,0,0,0,0|1,1,1]=4 2094 B11R1.24 C=CCSc1cccc(c1)F 62a_100000210623_100000685547 [0,1,0,0,0,0|1,1,1]=4 2095 B11R1.24 C=CCSc1cccc(c1)F 62a_100000685547_100000210623 [0,1,0,0,0,0|1,1,1]=4 2096 B11R1.24 C=CCSc1cccc(c1)N 62a_100000210019_100000210623 [0,1,0,0,0,0|1,1,1]=4 2097 B11R1.24 C=CCSc1cccc(c1)N 62a_100000210623_100000210019 [0,1,0,0,0,0|1,1,1]=4 2098 B11R1.24 C=CCSc1cccc(c1)O 62a_100000210623_100000211634 [0,1,0,0,0,0|1,1,1]=4 2099 B11R1.24 C=CCSc1cccc(c1)[S] 62a_100000210623_114929384022 [0,1,0,0,0,0|1,1,1]=4 2100 B11R1.24 C=CCSc1cccc(c1)[S] 62a_114929384022_100000210623 [0,1,0,0,0,0|1,1,1]=4 2101 B11R1.24 CCCCc1cc(ccn1)C 271570a_100020621405_100000750283 [0,1,0,0,0,0|3,0,0]=4 2102 B11R1.24 CCCCc1cc(ccn1)Cl 271570a_100020621405_100010167805 [0,1,0,0,0,0|3,0,0]=4 2103 B11R1.24 CCCCc1cc(ccn1)F 271570a_100020621405_100009817058 [0,1,0,0,0,0|3,0,0]=4 2104 B11R1.24 CCCCc1cc(ccn1)N 271570a_100020621405_100009814236 [0,1,0,0,0,0|3,0,0]=4 2105 B11R1.24 CCCCc1cc(ccn1)O 271570a_100020621405_100000762945 [0,1,0,0,0,0|3,0,0]=4 2106 B11R1.24 CCCCc1cc[nH]c(=O)c1 271570a_100020621405_100009816521 [0,1,0,0,0,0|3,0,0]=4 2107 B11R1.24 CCCCc1ccc[n+](c1)C 271570a_100020621405_100009996589 [0,1,0,0,0,0|3,0,0]=4 2108 B11R1.24 CCCCc1ccc[n+](c1)[O-] 271570a_100020621405_100009815978 [0,1,0,0,0,0|3,0,0]=4 2109 B11R1.24 CCCCc1cccc(=O)[nH]1 271570a_100020621405_100000761760 [0,1,0,0,0,0|3,0,0]=4 2110 B11R1.24 CCCCc1cccc(c1)Br 271570a_100020621405_100000691529 [0,1,0,0,0,0|2,0,0]=3 2111 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [0,1,0,0,0,0|2,0,0]=3 2112 B11R1.24 CCCCc1cccc(c1)Cl 271570a_100020621405_100000699651 [0,1,0,0,0,0|2,0,0]=3 2113 B11R1.24 CCCCc1cccc(c1)F 271570a_100020621405_100000685547 [0,1,0,0,0,0|2,0,0]=3 2114 B11R1.24 CCCCc1cccc(c1)N 271570a_100020621405_100000210019 [0,1,0,0,0,0|2,0,0]=3 2115 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [0,1,0,0,0,0|2,0,0]=3 2116 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [0,1,0,0,0,0|2,0,0]=3 2117 B11R1.24 CCCCc1cccc(c1)[S] 271570a_100020621405_114929384022 [0,1,0,0,0,0|2,0,0]=3 2118 B11R1.24 CCCCc1cccc(n1)Br 271570a_100020621405_100000684672 [0,1,0,0,0,0|3,0,0]=4 2119 B11R1.24 CCCCc1cccc(n1)C 271570a_100020621405_100000742759 [0,1,0,0,0,0|3,0,0]=4 2120 B11R1.24 CCCCc1cccc(n1)F 271570a_100020621405_100009815982 [0,1,0,0,0,0|3,0,0]=4 2121 B11R1.24 CCCCc1cccc(n1)N 271570a_100020621405_100000740741 [0,1,0,0,0,0|3,0,0]=4 2122 B11R1.24 CCCCc1ccnc(c1)Br 271570a_100020621405_100009814637 [0,1,0,0,0,0|3,0,0]=4 2123 B11R1.24 CCCCc1ccnc(c1)C 271570a_100020621405_100000758586 [0,1,0,0,0,0|3,0,0]=4 2124 B11R1.24 CCCCc1ccnc(c1)Cl 271570a_100020621405_100000035001 [0,1,0,0,0,0|3,0,0]=4 2125 B11R1.24 CCCCc1ccnc(c1)F 271570a_100020621405_100009816116 [0,1,0,0,0,0|3,0,0]=4 2126 B11R1.24 CCCCc1ccnc(c1)N 271570a_100020621405_100000744379 [0,1,0,0,0,0|3,0,0]=4 2127 B11R1.24 CCCCc1cncc(c1)Br 271570a_100020621405_100000728054 [0,1,0,0,0,0|3,0,0]=4 2128 B11R1.24 CCCCc1cncc(c1)C 271570a_100020621405_100000760492 [0,1,0,0,0,0|3,0,0]=4 2129 B11R1.24 CCCCc1cncc(c1)Cl 271570a_100020621405_100000049639 [0,1,0,0,0,0|3,0,0]=4 2130 B11R1.24 CCCCc1cncc(c1)F 271570a_100020621405_100000744099 [0,1,0,0,0,0|3,0,0]=4 2131 B11R1.24 CCCCc1cncc(c1)N 271570a_100020621405_100000687067 [0,1,0,0,0,0|3,0,0]=4 2132 B11R1.24 CCCCc1cncc(c1)O 271570a_100020621405_100000754920 [0,1,0,0,0,0|3,0,0]=4 2133 B11R1.24 CCCNc1cccc(c1)Br 34a_100000210019_100000210303 [0,1,0,0,0,0|2,0,0]=3 2134 B11R1.24 CCCNc1cccc(c1)C 2230a_100000188690_100000210303 [0,1,0,0,0,0|2,0,0]=3 2135 B11R1.24 CCCNc1cccc(c1)C 34a_100000188690_100000210303 [0,1,0,0,0,0|2,0,0]=3 2136 B11R1.24 CCCNc1cccc(c1)Cl 34a_100000185859_100000210303 [0,1,0,0,0,0|2,0,0]=3 2137 B11R1.24 CCCNc1cccc(c1)F 34a_100000210047_100000210303 [0,1,0,0,0,0|2,0,0]=3 2138 B11R1.24 CCCNc1cccc(c1)I 34a_100000211102_100000210303 [0,1,0,0,0,0|2,0,0]=3 2139 B11R1.24 CCCNc1cccc(c1)O 34a_100000210217_100000210303 [0,1,0,0,0,0|2,0,0]=3 2140 B11R1.24 CCCNc1cccc(n1)O 271570a_203496583355_200025756634 [0,1,0,0,0,0|3,0,0]=4 2141 B11R1.24 CCCOc1cc(cnn1)C 34a_100000766097_100000210303 [0,1,0,0,0,0|3,0,0]=4 2142 B11R1.24 CCCOc1cc[nH]c(=O)c1 34a_100000032262_100000210303 [0,1,0,0,0,0|2,0,0]=3 2143 B11R1.24 CCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000210303 [0,1,0,0,0,0|2,0,0]=3 2144 B11R1.24 CCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000210303 [0,1,0,0,0,0|2,0,0]=3 2145 B11R1.24 CCCOc1cccc(=O)[nH]1 34a_100000033347_100000210303 [0,1,0,0,0,0|2,0,0]=3 2146 B11R1.24 CCCOc1cccc(c1)Br 34a_100000210342_100000210303 [0,1,0,0,0,0|1,0,0]=2 2147 B11R1.24 CCCOc1cccc(c1)Br 7a_100000210342_100000210303 [0,1,0,0,0,0|1,0,0]=2 2148 B11R1.24 CCCOc1cccc(c1)C 34a_100000210337_100000210303 [0,1,0,0,0,0|1,0,0]=2 2149 B11R1.24 CCCOc1cccc(c1)C 7a_100000210337_100000210303 [0,1,0,0,0,0|1,0,0]=2 2150 B11R1.24 CCCOc1cccc(c1)Cl 34a_100000210295_100000210303 [0,1,0,0,0,0|1,0,0]=2 2151 B11R1.24 CCCOc1cccc(c1)Cl 7a_100000210295_100000210303 [0,1,0,0,0,0|1,0,0]=2 2152 B11R1.24 CCCOc1cccc(c1)F 34a_100000210426_100000210303 [0,1,0,0,0,0|1,0,0]=2 2153 B11R1.24 CCCOc1cccc(c1)F 7a_100000210426_100000210303 [0,1,0,0,0,0|1,0,0]=2 2154 B11R1.24 CCCOc1cccc(c1)I 34a_100000211634_100000210303 [0,1,0,0,0,0|1,0,0]=2 2155 B11R1.24 CCCOc1cccc(c1)I 7a_100000211634_100000210303 [0,1,0,0,0,0|1,0,0]=2 2156 B11R1.24 CCCOc1cccc(c1)N 34a_100000210217_100000210303 [0,1,0,0,0,0|1,0,0]=2 2157 B11R1.24 CCCOc1cccc(c1)O 271570a_203496583355_100000170004 [0,1,0,0,0,0|1,0,0]=2 2158 B11R1.24 CCCOc1cccc(n1)F 34a_100011432558_100000210303 [0,1,0,0,0,0|2,0,0]=3 2159 B11R1.24 CCCOc1cccc(n1)O 271570a_203496583355_200011960250 [0,1,0,0,0,0|2,0,0]=3 2160 B11R1.24 CCCOc1ccnc(c1)C 34a_100000688365_100000210303 [0,1,0,0,0,0|2,0,0]=3 2161 B11R1.24 CCCOc1ccnc(c1)Cl 34a_100000762945_100000210303 [0,1,0,0,0,0|2,0,0]=3 2162 B11R1.24 CCCOc1ccnc(c1)F 34a_100000732698_100000210303 [0,1,0,0,0,0|2,0,0]=3 2163 B11R1.24 CCCOc1ccnc(c1)N 34a_100011834064_100000210303 [0,1,0,0,0,0|2,0,0]=3 2164 B11R1.24 CCCOc1cncc(c1)Br 34a_100000754920_100000210303 [0,1,0,0,0,0|2,0,0]=3 2165 B11R1.24 CCCOc1cncc(c1)Br 7a_100000754920_100000210303 [0,1,0,0,0,0|2,0,0]=3 2166 B11R1.24 CCCOc1cncc(c1)C 34a_100011830280_100000210303 [0,1,0,0,0,0|2,0,0]=3 2167 B11R1.24 CCCOc1cncc(c1)C 7a_100011830280_100000210303 [0,1,0,0,0,0|2,0,0]=3 2168 B11R1.24 CCCOc1cncc(c1)Cl 7a_100000032511_100000210303 [0,1,0,0,0,0|2,0,0]=3 2169 B11R1.24 CCCOc1cncc(c1)F 34a_100011830296_100000210303 [0,1,0,0,0,0|2,0,0]=3 2170 B11R1.24 CCCOc1cncc(c1)F 7a_100011830296_100000210303 [0,1,0,0,0,0|2,0,0]=3 2171 B11R1.24 CCCOc1cncc(c1)N 34a_100011997051_100000210303 [0,1,0,0,0,0|2,0,0]=3 2172 B11R1.24 CCCOc1cncc(c1)O 271570a_203496583355_200012029621 [0,1,0,0,0,0|2,0,0]=3 2173 B11R1.24 CCCOc1cnnc(c1)Cl 34a_200010734679_100000210303 [0,1,0,0,0,0|3,0,0]=4 2174 B11R1.24 CCCOc1cnnc(c1)N 34a_200015193112_100000210303 [0,1,0,0,0,0|3,0,0]=4 2175 B11R1.24 CCCSc1cc(=O)cc[nH]1 62a_100009817434_100000210303 [0,1,0,0,0,0|2,1,0]=4 2176 B11R1.24 CCCSc1cc(ccn1)C 62a_100000210303_100000750283 [0,1,0,0,0,0|2,1,0]=4 2177 B11R1.24 CCCSc1cc(ccn1)C 62a_100000750283_100000210303 [0,1,0,0,0,0|2,1,0]=4 2178 B11R1.24 CCCSc1cc(ccn1)Cl 62a_100000210303_100010167805 [0,1,0,0,0,0|2,1,0]=4 2179 B11R1.24 CCCSc1cc(ccn1)Cl 62a_100010167805_100000210303 [0,1,0,0,0,0|2,1,0]=4 2180 B11R1.24 CCCSc1cc(ccn1)F 62a_100000210303_100000764206 [0,1,0,0,0,0|2,1,0]=4 2181 B11R1.24 CCCSc1cc(ccn1)F 62a_100000764206_100000210303 [0,1,0,0,0,0|2,1,0]=4 2182 B11R1.24 CCCSc1cc(ccn1)N 62a_100000210303_100009814236 [0,1,0,0,0,0|2,1,0]=4 2183 B11R1.24 CCCSc1cc(ccn1)N 62a_100009814236_100000210303 [0,1,0,0,0,0|2,1,0]=4 2184 B11R1.24 CCCSc1cc(ccn1)O 62a_100000210303_100000762945 [0,1,0,0,0,0|2,1,0]=4 2185 B11R1.24 CCCSc1cc[nH]c(=O)c1 62a_100000210303_100009816521 [0,1,0,0,0,0|2,1,0]=4 2186 B11R1.24 CCCSc1cc[nH]c(=O)c1 62a_100009816521_100000210303 [0,1,0,0,0,0|2,1,0]=4 2187 B11R1.24 CCCSc1ccc[n+](c1)C 62a_100000210303_100009996589 [0,1,0,0,0,0|2,1,0]=4 2188 B11R1.24 CCCSc1ccc[n+](c1)C 62a_100009996589_100000210303 [0,1,0,0,0,0|2,1,0]=4 2189 B11R1.24 CCCSc1ccc[n+](c1)[O-] 62a_100000210303_100009815978 [0,1,0,0,0,0|2,1,0]=4 2190 B11R1.24 CCCSc1cccc(=O)[nH]1 62a_100000210303_100000752884 [0,1,0,0,0,0|2,1,0]=4 2191 B11R1.24 CCCSc1cccc(c1)Br 62a_100000210303_100000691529 [0,1,0,0,0,0|1,1,0]=3 2192 B11R1.24 CCCSc1cccc(c1)Br 62a_100000691529_100000210303 [0,1,0,0,0,0|1,1,0]=3 2193 B11R1.24 CCCSc1cccc(c1)C 62a_100000210303_100011215228 [0,1,0,0,0,0|1,1,0]=3 2194 B11R1.24 CCCSc1cccc(c1)C 62a_100011215228_100000210303 [0,1,0,0,0,0|1,1,0]=3 2195 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000210303_100000699651 [0,1,0,0,0,0|1,1,0]=3 2196 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000699651_100000210303 [0,1,0,0,0,0|1,1,0]=3 2197 B11R1.24 CCCSc1cccc(c1)F 62a_100000210303_100000685547 [0,1,0,0,0,0|1,1,0]=3 2198 B11R1.24 CCCSc1cccc(c1)F 62a_100000685547_100000210303 [0,1,0,0,0,0|1,1,0]=3 2199 B11R1.24 CCCSc1cccc(c1)N 62a_100000210019_100000210303 [0,1,0,0,0,0|1,1,0]=3 2200 B11R1.24 CCCSc1cccc(c1)N 62a_100000210303_100000210019 [0,1,0,0,0,0|1,1,0]=3 2201 B11R1.24 CCCSc1cccc(c1)O 271570a_203496583355_200009815762 [0,1,0,0,0,0|1,1,0]=3 2202 B11R1.24 CCCSc1cccc(c1)O 62a_100000210303_100000211634 [0,1,0,0,0,0|1,1,0]=3 2203 B11R1.24 CCCSc1cccc(c1)[S] 62a_100000210303_114929384022 [0,1,0,0,0,0|1,1,0]=3 2204 B11R1.24 CCCSc1cccc(c1)[S] 62a_114929384022_100000210303 [0,1,0,0,0,0|1,1,0]=3 2205 B11R1.24 CCCSc1cccc(n1)Br 62a_100000210303_100000684672 [0,1,0,0,0,0|2,1,0]=4 2206 B11R1.24 CCCSc1cccc(n1)Br 62a_100000684672_100000210303 [0,1,0,0,0,0|2,1,0]=4 2207 B11R1.24 CCCSc1cccc(n1)C 62a_100000210303_100000742759 [0,1,0,0,0,0|2,1,0]=4 2208 B11R1.24 CCCSc1cccc(n1)C 62a_100000742759_100000210303 [0,1,0,0,0,0|2,1,0]=4 2209 B11R1.24 CCCSc1cccc(n1)Cl 62a_100000051397_100000210303 [0,1,0,0,0,0|2,1,0]=4 2210 B11R1.24 CCCSc1cccc(n1)Cl 62a_100000210303_100000051397 [0,1,0,0,0,0|2,1,0]=4 2211 B11R1.24 CCCSc1cccc(n1)F 62a_100000210303_100009815982 [0,1,0,0,0,0|2,1,0]=4 2212 B11R1.24 CCCSc1cccc(n1)F 62a_100009815982_100000210303 [0,1,0,0,0,0|2,1,0]=4 2213 B11R1.24 CCCSc1cccc(n1)N 62a_100000210303_100000740741 [0,1,0,0,0,0|2,1,0]=4 2214 B11R1.24 CCCSc1cccc(n1)N 62a_100000740741_100000210303 [0,1,0,0,0,0|2,1,0]=4 2215 B11R1.24 CCCSc1ccnc(c1)Br 62a_100000210303_100009814637 [0,1,0,0,0,0|2,1,0]=4 2216 B11R1.24 CCCSc1ccnc(c1)Br 62a_100009814637_100000210303 [0,1,0,0,0,0|2,1,0]=4 2217 B11R1.24 CCCSc1ccnc(c1)C 62a_100000210303_100000758586 [0,1,0,0,0,0|2,1,0]=4 2218 B11R1.24 CCCSc1ccnc(c1)C 62a_100000758586_100000210303 [0,1,0,0,0,0|2,1,0]=4 2219 B11R1.24 CCCSc1ccnc(c1)Cl 62a_100000035001_100000210303 [0,1,0,0,0,0|2,1,0]=4 2220 B11R1.24 CCCSc1ccnc(c1)Cl 62a_100000210303_100000035001 [0,1,0,0,0,0|2,1,0]=4 2221 B11R1.24 CCCSc1ccnc(c1)F 62a_100000210303_100009816116 [0,1,0,0,0,0|2,1,0]=4 2222 B11R1.24 CCCSc1ccnc(c1)F 62a_100009816116_100000210303 [0,1,0,0,0,0|2,1,0]=4 2223 B11R1.24 CCCSc1ccnc(c1)N 62a_100000049665_100000210303 [0,1,0,0,0,0|2,1,0]=4 2224 B11R1.24 CCCSc1ccnc(c1)N 62a_100000210303_100000049665 [0,1,0,0,0,0|2,1,0]=4 2225 B11R1.24 CCCSc1cncc(c1)Br 62a_100000210303_100000728054 [0,1,0,0,0,0|2,1,0]=4 2226 B11R1.24 CCCSc1cncc(c1)Br 62a_100000728054_100000210303 [0,1,0,0,0,0|2,1,0]=4 2227 B11R1.24 CCCSc1cncc(c1)C 62a_100000210303_100000760492 [0,1,0,0,0,0|2,1,0]=4 2228 B11R1.24 CCCSc1cncc(c1)C 62a_100000760492_100000210303 [0,1,0,0,0,0|2,1,0]=4 2229 B11R1.24 CCCSc1cncc(c1)Cl 62a_100000049639_100000210303 [0,1,0,0,0,0|2,1,0]=4 2230 B11R1.24 CCCSc1cncc(c1)Cl 62a_100000210303_100000049639 [0,1,0,0,0,0|2,1,0]=4 2231 B11R1.24 CCCSc1cncc(c1)F 62a_100000210303_100000744099 [0,1,0,0,0,0|2,1,0]=4 2232 B11R1.24 CCCSc1cncc(c1)F 62a_100000744099_100000210303 [0,1,0,0,0,0|2,1,0]=4 2233 B11R1.24 CCCSc1cncc(c1)N 62a_100000210303_100000687067 [0,1,0,0,0,0|2,1,0]=4 2234 B11R1.24 CCCSc1cncc(c1)N 62a_100000687067_100000210303 [0,1,0,0,0,0|2,1,0]=4 2235 B11R1.24 CCCSc1cncc(c1)O 62a_100000210303_100000754920 [0,1,0,0,0,0|2,1,0]=4 2236 B11R1.24 CCCSc1cncc(c1)O 62a_100000754920_100000210303 [0,1,0,0,0,0|2,1,0]=4 2237 B11R1.24 CCNCc1cccc(c1)Br 207a_100015525214_100000210085 [0,1,0,0,0,0|3,0,0]=4 2238 B11R1.24 CCNCc1cccc(c1)Br 2230a_100000174977_100000210202 [0,1,0,0,0,0|3,0,0]=4 2239 B11R1.24 CCNCc1cccc(c1)Br 2230a_100015525214_100000698116 [0,1,0,0,0,0|3,0,0]=4 2240 B11R1.24 CCNCc1cccc(c1)Br 270004a_100015525214_100000210085 [0,1,0,0,0,0|3,0,0]=4 2241 B11R1.24 CCNCc1cccc(c1)Br 34a_100000174977_100000210202 [0,1,0,0,0,0|3,0,0]=4 2242 B11R1.24 CCNCc1cccc(c1)C 207a_100015525214_100000211157 [0,1,0,0,0,0|3,0,0]=4 2243 B11R1.24 CCNCc1cccc(c1)C 2230a_100000185548_100000210202 [0,1,0,0,0,0|3,0,0]=4 2244 B11R1.24 CCNCc1cccc(c1)C 2230a_100015525214_100000211840 [0,1,0,0,0,0|3,0,0]=4 2245 B11R1.24 CCNCc1cccc(c1)C 270004a_100015525214_100000211157 [0,1,0,0,0,0|3,0,0]=4 2246 B11R1.24 CCNCc1cccc(c1)C 34a_100000185548_100000210202 [0,1,0,0,0,0|3,0,0]=4 2247 B11R1.24 CCNCc1cccc(c1)Cl 207a_100015525214_100000210801 [0,1,0,0,0,0|3,0,0]=4 2248 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100000174878_100000210202 [0,1,0,0,0,0|3,0,0]=4 2249 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100015525214_100000181238 [0,1,0,0,0,0|3,0,0]=4 2250 B11R1.24 CCNCc1cccc(c1)Cl 270004a_100015525214_100000210801 [0,1,0,0,0,0|3,0,0]=4 2251 B11R1.24 CCNCc1cccc(c1)Cl 34a_100000174878_100000210202 [0,1,0,0,0,0|3,0,0]=4 2252 B11R1.24 CCNCc1cccc(c1)F 207a_100015525214_100000210812 [0,1,0,0,0,0|3,0,0]=4 2253 B11R1.24 CCNCc1cccc(c1)F 2230a_100000174948_100000210202 [0,1,0,0,0,0|3,0,0]=4 2254 B11R1.24 CCNCc1cccc(c1)F 2230a_100015525214_100000230114 [0,1,0,0,0,0|3,0,0]=4 2255 B11R1.24 CCNCc1cccc(c1)F 270004a_100015525214_100000210812 [0,1,0,0,0,0|3,0,0]=4 2256 B11R1.24 CCNCc1cccc(c1)F 34a_100000174948_100000210202 [0,1,0,0,0,0|3,0,0]=4 2257 B11R1.24 CCNCc1cccc(c1)I 207a_100015525214_100000014684 [0,1,0,0,0,0|3,0,0]=4 2258 B11R1.24 CCNCc1cccc(c1)I 2230a_100000106179_100000210202 [0,1,0,0,0,0|3,0,0]=4 2259 B11R1.24 CCNCc1cccc(c1)I 2230a_100015525214_100011218688 [0,1,0,0,0,0|3,0,0]=4 2260 B11R1.24 CCNCc1cccc(c1)I 270004a_100015525214_100000014684 [0,1,0,0,0,0|3,0,0]=4 2261 B11R1.24 CCNCc1cccc(c1)I 34a_100000106179_100000210202 [0,1,0,0,0,0|3,0,0]=4 2262 B11R1.24 CCNCc1cccc(c1)O 207a_100015525214_100000188321 [0,1,0,0,0,0|3,0,0]=4 2263 B11R1.24 CCNCc1cccc(c1)O 2230a_100000743036_100000210202 [0,1,0,0,0,0|3,0,0]=4 2264 B11R1.24 CCNCc1cccc(c1)O 2230a_100015525214_100011660834 [0,1,0,0,0,0|3,0,0]=4 2265 B11R1.24 CCNCc1cccc(c1)O 270004a_100015525214_100000188321 [0,1,0,0,0,0|3,0,0]=4 2266 B11R1.24 CCNCc1cccc(c1)O 271570a_203496583355_100000187426 [0,1,0,0,0,0|3,0,0]=4 2267 B11R1.24 CCNCc1cccc(c1)O 34a_100000743036_100000210202 [0,1,0,0,0,0|3,0,0]=4 2268 B11R1.24 CCOCc1cccc(c1)Br 34a_100000687537_100000210202 [0,1,0,0,0,0|3,0,0]=4 2269 B11R1.24 CCOCc1cccc(c1)Br 34a_100121572206_100000698116 [0,1,0,0,0,0|3,0,0]=4 2270 B11R1.24 CCOCc1cccc(c1)Br 7a_100000687537_100000210202 [0,1,0,0,0,0|3,0,0]=4 2271 B11R1.24 CCOCc1cccc(c1)C 34a_100011217746_100000210202 [0,1,0,0,0,0|3,0,0]=4 2272 B11R1.24 CCOCc1cccc(c1)C 34a_100121572206_100000211840 [0,1,0,0,0,0|3,0,0]=4 2273 B11R1.24 CCOCc1cccc(c1)C 7a_100011217746_100000210202 [0,1,0,0,0,0|3,0,0]=4 2274 B11R1.24 CCOCc1cccc(c1)Cl 34a_100000241301_100000210202 [0,1,0,0,0,0|3,0,0]=4 2275 B11R1.24 CCOCc1cccc(c1)Cl 34a_100121572206_100000187163 [0,1,0,0,0,0|3,0,0]=4 2276 B11R1.24 CCOCc1cccc(c1)Cl 7a_100000241301_100000210202 [0,1,0,0,0,0|3,0,0]=4 2277 B11R1.24 CCOCc1cccc(c1)F 34a_100000210976_100000210202 [0,1,0,0,0,0|3,0,0]=4 2278 B11R1.24 CCOCc1cccc(c1)F 34a_100121572206_100000187166 [0,1,0,0,0,0|3,0,0]=4 2279 B11R1.24 CCOCc1cccc(c1)F 7a_100000210976_100000210202 [0,1,0,0,0,0|3,0,0]=4 2280 B11R1.24 CCOCc1cccc(c1)I 34a_100011215336_100000210202 [0,1,0,0,0,0|3,0,0]=4 2281 B11R1.24 CCOCc1cccc(c1)I 34a_100121572206_100011218688 [0,1,0,0,0,0|3,0,0]=4 2282 B11R1.24 CCOCc1cccc(c1)I 7a_100011215336_100000210202 [0,1,0,0,0,0|3,0,0]=4 2283 B11R1.24 CCOCc1cccc(c1)N 34a_100000211919_100000210202 [0,1,0,0,0,0|3,0,0]=4 2284 B11R1.24 CCOCc1cccc(c1)O 271570a_203496583355_100011493694 [0,1,0,0,0,0|3,0,0]=4 2285 B11R1.24 CCOCc1cccc(c1)O 34a_100121572206_100011660834 [0,1,0,0,0,0|3,0,0]=4 2286 B11R1.24 CCSCc1cccc(c1)Br 62a_100000210202_100000211773 [0,1,0,0,0,0|3,0,0]=4 2287 B11R1.24 CCSCc1cccc(c1)Br 62a_100000211773_100000210202 [0,1,0,0,0,0|3,0,0]=4 2288 B11R1.24 CCSCc1cccc(c1)C 62a_100000210202_100000211840 [0,1,0,0,0,0|3,0,0]=4 2289 B11R1.24 CCSCc1cccc(c1)C 62a_100000211840_100000210202 [0,1,0,0,0,0|3,0,0]=4 2290 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000187163_100000210202 [0,1,0,0,0,0|3,0,0]=4 2291 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000210202_100000187163 [0,1,0,0,0,0|3,0,0]=4 2292 B11R1.24 CCSCc1cccc(c1)F 62a_100000210202_100000230114 [0,1,0,0,0,0|3,0,0]=4 2293 B11R1.24 CCSCc1cccc(c1)F 62a_100000230114_100000210202 [0,1,0,0,0,0|3,0,0]=4 2294 B11R1.24 CCSCc1cccc(c1)I 62a_100000210202_100011218688 [0,1,0,0,0,0|3,0,0]=4 2295 B11R1.24 CCSCc1cccc(c1)I 62a_100011218688_100000210202 [0,1,0,0,0,0|3,0,0]=4 2296 B11R1.24 CCSCc1cccc(c1)O 62a_100000210202_100011660834 [0,1,0,0,0,0|3,0,0]=4 2297 B11R1.24 CCSCc1cccc(c1)O 62a_100011660834_100000210202 [0,1,0,0,0,0|3,0,0]=4 2298 B11R1.24 CNCCc1cccc(c1)Br 2230a_100011207229_200000210301 [0,1,0,0,0,0|3,0,0]=4 2299 B11R1.24 CNCCc1cccc(c1)Br 2230a_106832991635_100011740638 [0,1,0,0,0,0|3,0,0]=4 2300 B11R1.24 CNCCc1cccc(c1)Br 34a_100011207229_200000210301 [0,1,0,0,0,0|3,0,0]=4 2301 B11R1.24 CNCCc1cccc(c1)Br 34a_100102657272_100011740638 [0,1,0,0,0,0|3,0,0]=4 2302 B11R1.24 CNCCc1cccc(c1)Br 7a_106832991635_100011740638 [0,1,0,0,0,0|3,0,0]=4 2303 B11R1.24 CNCCc1cccc(c1)C 2230a_100000749837_200000210301 [0,1,0,0,0,0|3,0,0]=4 2304 B11R1.24 CNCCc1cccc(c1)C 2230a_106832991635_100011713685 [0,1,0,0,0,0|3,0,0]=4 2305 B11R1.24 CNCCc1cccc(c1)C 34a_100000749837_200000210301 [0,1,0,0,0,0|3,0,0]=4 2306 B11R1.24 CNCCc1cccc(c1)C 34a_100102657272_100011713685 [0,1,0,0,0,0|3,0,0]=4 2307 B11R1.24 CNCCc1cccc(c1)C 7a_106832991635_100011713685 [0,1,0,0,0,0|3,0,0]=4 2308 B11R1.24 CNCCc1cccc(c1)Cl 2230a_100000185263_200000210301 [0,1,0,0,0,0|3,0,0]=4 2309 B11R1.24 CNCCc1cccc(c1)Cl 2230a_106832991635_100011713710 [0,1,0,0,0,0|3,0,0]=4 2310 B11R1.24 CNCCc1cccc(c1)Cl 34a_100000185263_200000210301 [0,1,0,0,0,0|3,0,0]=4 2311 B11R1.24 CNCCc1cccc(c1)Cl 34a_100102657272_100011713710 [0,1,0,0,0,0|3,0,0]=4 2312 B11R1.24 CNCCc1cccc(c1)Cl 7a_106832991635_100011713710 [0,1,0,0,0,0|3,0,0]=4 2313 B11R1.24 CNCCc1cccc(c1)F 2230a_100000205154_200000210301 [0,1,0,0,0,0|3,0,0]=4 2314 B11R1.24 CNCCc1cccc(c1)F 2230a_106832991635_100011217235 [0,1,0,0,0,0|3,0,0]=4 2315 B11R1.24 CNCCc1cccc(c1)F 34a_100000205154_200000210301 [0,1,0,0,0,0|3,0,0]=4 2316 B11R1.24 CNCCc1cccc(c1)F 34a_100102657272_100011217235 [0,1,0,0,0,0|3,0,0]=4 2317 B11R1.24 CNCCc1cccc(c1)F 7a_106832991635_100011217235 [0,1,0,0,0,0|3,0,0]=4 2318 B11R1.24 CNCCc1cccc(c1)O 2230a_100000747277_200000210301 [0,1,0,0,0,0|3,0,0]=4 2319 B11R1.24 CNCCc1cccc(c1)O 34a_100000747277_200000210301 [0,1,0,0,0,0|3,0,0]=4 2320 B11R1.24 COCCc1cccc(c1)Br 34a_100011217444_200000210301 [0,1,0,0,0,0|3,0,0]=4 2321 B11R1.24 COCCc1cccc(c1)Br 34a_100138415774_100011740638 [0,1,0,0,0,0|3,0,0]=4 2322 B11R1.24 COCCc1cccc(c1)Br 7a_100011217444_200000210301 [0,1,0,0,0,0|3,0,0]=4 2323 B11R1.24 COCCc1cccc(c1)C 34a_100011217157_200000210301 [0,1,0,0,0,0|3,0,0]=4 2324 B11R1.24 COCCc1cccc(c1)C 34a_100138415774_100011713685 [0,1,0,0,0,0|3,0,0]=4 2325 B11R1.24 COCCc1cccc(c1)C 7a_100011217157_200000210301 [0,1,0,0,0,0|3,0,0]=4 2326 B11R1.24 COCCc1cccc(c1)Cl 34a_100000754733_200000210301 [0,1,0,0,0,0|3,0,0]=4 2327 B11R1.24 COCCc1cccc(c1)Cl 34a_100138415774_100011713710 [0,1,0,0,0,0|3,0,0]=4 2328 B11R1.24 COCCc1cccc(c1)Cl 7a_100000754733_200000210301 [0,1,0,0,0,0|3,0,0]=4 2329 B11R1.24 COCCc1cccc(c1)F 34a_100000763591_200000210301 [0,1,0,0,0,0|3,0,0]=4 2330 B11R1.24 COCCc1cccc(c1)F 34a_100138415774_100011217235 [0,1,0,0,0,0|3,0,0]=4 2331 B11R1.24 COCCc1cccc(c1)F 7a_100000763591_200000210301 [0,1,0,0,0,0|3,0,0]=4 2332 B11R1.24 COCCc1cccc(c1)N 34a_100011996697_200000210301 [0,1,0,0,0,0|3,0,0]=4 2333 B11R1.24 COCNc1cccc(c1)C 2230a_100000188690_100000766300 [0,1,0,0,0,0|3,0,0]=4 2334 B11R1.24 COCOc1cccc(c1)O 271570a_203496583355_100012265688 [0,1,0,0,0,0|2,0,0]=3 2335 B11R1.24 COCSc1cccc(c1)Br 62a_100000691529_100000766300 [0,1,0,0,0,0|2,1,0]=4 2336 B11R1.24 COCSc1cccc(c1)Br 62a_100000766300_100000691529 [0,1,0,0,0,0|2,1,0]=4 2337 B11R1.24 COCSc1cccc(c1)C 62a_100000766300_100011215228 [0,1,0,0,0,0|2,1,0]=4 2338 B11R1.24 COCSc1cccc(c1)C 62a_100011215228_100000766300 [0,1,0,0,0,0|2,1,0]=4 2339 B11R1.24 COCSc1cccc(c1)Cl 62a_100000699651_100000766300 [0,1,0,0,0,0|2,1,0]=4 2340 B11R1.24 COCSc1cccc(c1)Cl 62a_100000766300_100000699651 [0,1,0,0,0,0|2,1,0]=4 2341 B11R1.24 COCSc1cccc(c1)F 62a_100000685547_100000766300 [0,1,0,0,0,0|2,1,0]=4 2342 B11R1.24 COCSc1cccc(c1)F 62a_100000766300_100000685547 [0,1,0,0,0,0|2,1,0]=4 2343 B11R1.24 COCSc1cccc(c1)N 62a_100000210019_100000766300 [0,1,0,0,0,0|2,1,0]=4 2344 B11R1.24 COCSc1cccc(c1)N 62a_100000766300_100000210019 [0,1,0,0,0,0|2,1,0]=4 2345 B11R1.24 COCSc1cccc(c1)O 62a_100000766300_100000211634 [0,1,0,0,0,0|2,1,0]=4 2346 B11R1.24 COCSc1cccc(c1)[S] 62a_100000766300_114929384022 [0,1,0,0,0,0|2,1,0]=4 2347 B11R1.24 COCSc1cccc(c1)[S] 62a_114929384022_100000766300 [0,1,0,0,0,0|2,1,0]=4 2348 B11R1.24 CSCCc1cccc(c1)Br 62a_100011740638_200000210301 [0,1,0,0,0,0|3,0,0]=4 2349 B11R1.24 CSCCc1cccc(c1)Br 62a_200000210301_100011740638 [0,1,0,0,0,0|3,0,0]=4 2350 B11R1.24 CSCCc1cccc(c1)C 62a_100011713685_200000210301 [0,1,0,0,0,0|3,0,0]=4 2351 B11R1.24 CSCCc1cccc(c1)C 62a_200000210301_100011713685 [0,1,0,0,0,0|3,0,0]=4 2352 B11R1.24 CSCCc1cccc(c1)Cl 62a_100011713710_200000210301 [0,1,0,0,0,0|3,0,0]=4 2353 B11R1.24 CSCCc1cccc(c1)Cl 62a_200000210301_100011713710 [0,1,0,0,0,0|3,0,0]=4 2354 B11R1.24 CSCCc1cccc(c1)F 62a_100011217235_200000210301 [0,1,0,0,0,0|3,0,0]=4 2355 B11R1.24 CSCCc1cccc(c1)F 62a_200000210301_100011217235 [0,1,0,0,0,0|3,0,0]=4 2356 B11R1.24 CSCNc1cccc(c1)Br 34a_100000210019_100011218213 [0,1,0,0,0,0|3,0,0]=4 2357 B11R1.24 CSCNc1cccc(c1)C 2230a_100000188690_100011218213 [0,1,0,0,0,0|3,0,0]=4 2358 B11R1.24 CSCNc1cccc(c1)C 34a_100000188690_100011218213 [0,1,0,0,0,0|3,0,0]=4 2359 B11R1.24 CSCNc1cccc(c1)Cl 34a_100000185859_100011218213 [0,1,0,0,0,0|3,0,0]=4 2360 B11R1.24 CSCNc1cccc(c1)F 34a_100000210047_100011218213 [0,1,0,0,0,0|3,0,0]=4 2361 B11R1.24 CSCNc1cccc(c1)I 34a_100000211102_100011218213 [0,1,0,0,0,0|3,0,0]=4 2362 B11R1.24 CSCNc1cccc(c1)O 34a_100000210217_100011218213 [0,1,0,0,0,0|3,0,0]=4 2363 B11R1.24 CSCOc1cc[nH]c(=O)c1 34a_100000032262_100011218213 [0,1,0,0,0,0|3,0,0]=4 2364 B11R1.24 CSCOc1ccc[n+](c1)[O-] 34a_100000039713_100011218213 [0,1,0,0,0,0|3,0,0]=4 2365 B11R1.24 CSCOc1cccc(=O)[nH]1 34a_100000033347_100011218213 [0,1,0,0,0,0|3,0,0]=4 2366 B11R1.24 CSCOc1cccc(c1)Br 34a_100000210342_100011218213 [0,1,0,0,0,0|2,0,0]=3 2367 B11R1.24 CSCOc1cccc(c1)C 34a_100000210337_100011218213 [0,1,0,0,0,0|2,0,0]=3 2368 B11R1.24 CSCOc1cccc(c1)Cl 34a_100000210295_100011218213 [0,1,0,0,0,0|2,0,0]=3 2369 B11R1.24 CSCOc1cccc(c1)F 34a_100000210426_100011218213 [0,1,0,0,0,0|2,0,0]=3 2370 B11R1.24 CSCOc1cccc(c1)I 34a_100000211634_100011218213 [0,1,0,0,0,0|2,0,0]=3 2371 B11R1.24 CSCOc1cccc(c1)N 34a_100000210217_100011218213 [0,1,0,0,0,0|2,0,0]=3 2372 B11R1.24 CSCOc1cccc(n1)F 34a_100011432558_100011218213 [0,1,0,0,0,0|3,0,0]=4 2373 B11R1.24 CSCOc1ccnc(c1)C 34a_100000688365_100011218213 [0,1,0,0,0,0|3,0,0]=4 2374 B11R1.24 CSCOc1ccnc(c1)Cl 34a_100000762945_100011218213 [0,1,0,0,0,0|3,0,0]=4 2375 B11R1.24 CSCOc1ccnc(c1)F 34a_100000732698_100011218213 [0,1,0,0,0,0|3,0,0]=4 2376 B11R1.24 CSCOc1ccnc(c1)N 34a_100011834064_100011218213 [0,1,0,0,0,0|3,0,0]=4 2377 B11R1.24 CSCOc1cncc(c1)Br 34a_100000754920_100011218213 [0,1,0,0,0,0|3,0,0]=4 2378 B11R1.24 CSCOc1cncc(c1)C 34a_100011830280_100011218213 [0,1,0,0,0,0|3,0,0]=4 2379 B11R1.24 CSCOc1cncc(c1)F 34a_100011830296_100011218213 [0,1,0,0,0,0|3,0,0]=4 2380 B11R1.24 CSCOc1cncc(c1)N 34a_100011997051_100011218213 [0,1,0,0,0,0|3,0,0]=4 2381 B11R1.24 CSCSc1cccc(c1)Br 62a_100000691529_100011218213 [0,1,0,0,0,0|2,1,0]=4 2382 B11R1.24 CSCSc1cccc(c1)Br 62a_100011218213_100000691529 [0,1,0,0,0,0|2,1,0]=4 2383 B11R1.24 CSCSc1cccc(c1)C 62a_100011215228_100011218213 [0,1,0,0,0,0|2,1,0]=4 2384 B11R1.24 CSCSc1cccc(c1)C 62a_100011218213_100011215228 [0,1,0,0,0,0|2,1,0]=4 2385 B11R1.24 CSCSc1cccc(c1)Cl 62a_100000699651_100011218213 [0,1,0,0,0,0|2,1,0]=4 2386 B11R1.24 CSCSc1cccc(c1)Cl 62a_100011218213_100000699651 [0,1,0,0,0,0|2,1,0]=4 2387 B11R1.24 CSCSc1cccc(c1)F 62a_100000685547_100011218213 [0,1,0,0,0,0|2,1,0]=4 2388 B11R1.24 CSCSc1cccc(c1)F 62a_100011218213_100000685547 [0,1,0,0,0,0|2,1,0]=4 2389 B11R1.24 CSCSc1cccc(c1)N 62a_100000210019_100011218213 [0,1,0,0,0,0|2,1,0]=4 2390 B11R1.24 CSCSc1cccc(c1)N 62a_100011218213_100000210019 [0,1,0,0,0,0|2,1,0]=4 2391 B11R1.24 CSCSc1cccc(c1)O 62a_100011218213_100000211634 [0,1,0,0,0,0|2,1,0]=4 2392 B11R1.24 CSCSc1cccc(c1)[S] 62a_100011218213_114929384022 [0,1,0,0,0,0|2,1,0]=4 2393 B11R1.24 CSCSc1cccc(c1)[S] 62a_114929384022_100011218213 [0,1,0,0,0,0|2,1,0]=4 2394 B11R1.24 C[n+]1cccc(c1)SCCF 62a_100009996589_100011217306 [0,1,0,0,0,0|2,1,0]=4 2395 B11R1.24 C[n+]1cccc(c1)SCCF 62a_100011217306_100009996589 [0,1,0,0,0,0|2,1,0]=4 2396 B11R1.24 C[n+]1cccc(c1)SCCO 62a_100000211926_100009996589 [0,1,0,0,0,0|1,1,0]=3 2397 B11R1.24 C[n+]1cccc(c1)SCCO 62a_100009996589_100000211926 [0,1,0,0,0,0|1,1,0]=3 2398 B11R1.24 Cc1cc(ccn1)NCCO 27a_100000210304_100000758586 [0,1,0,0,0,0|2,0,0]=3 2399 B11R1.24 Cc1cc(ccn1)OCC=O 34a_100000688365_200009817547 [0,1,0,0,0,0|1,0,2]=4 2400 B11R1.24 Cc1cc(ccn1)OCCF 34a_100000688365_100011217306 [0,1,0,0,0,0|2,0,0]=3 2401 B11R1.24 Cc1cc(ccn1)OCCO 34a_100000688365_100000211926 [0,1,0,0,0,0|1,0,0]=2 2402 B11R1.24 Cc1cc(ccn1)SCCF 62a_100000758586_100011217306 [0,1,0,0,0,0|2,1,0]=4 2403 B11R1.24 Cc1cc(ccn1)SCCF 62a_100011217306_100000758586 [0,1,0,0,0,0|2,1,0]=4 2404 B11R1.24 Cc1cc(ccn1)SCCO 62a_100000211926_100000758586 [0,1,0,0,0,0|1,1,0]=3 2405 B11R1.24 Cc1cc(ccn1)SCCO 62a_100000758586_100000211926 [0,1,0,0,0,0|1,1,0]=3 2406 B11R1.24 Cc1cc(ncn1)NCCO 27a_100000210304_100000744208 [0,1,0,0,0,0|3,0,0]=4 2407 B11R1.24 Cc1cc(ncn1)SCCO 62a_100000211926_100000744208 [0,1,0,0,0,0|2,1,0]=4 2408 B11R1.24 Cc1cc(ncn1)SCCO 62a_100000744208_100000211926 [0,1,0,0,0,0|2,1,0]=4 2409 B11R1.24 Cc1cccc(c1)CCN[13CH3] 2230a_100000749837_200025704644 [0,1,0,0,0,0|3,0,0]=4 2410 B11R1.24 Cc1cccc(c1)CCN[13CH3] 34a_100000749837_200025704644 [0,1,0,0,0,0|3,0,0]=4 2411 B11R1.24 Cc1cccc(c1)CCO[13CH3] 34a_100011217157_200025704644 [0,1,0,0,0,0|3,0,0]=4 2412 B11R1.24 Cc1cccc(c1)CCO[13CH3] 7a_100011217157_200025704644 [0,1,0,0,0,0|3,0,0]=4 2413 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_100011713685_200025704644 [0,1,0,0,0,0|3,0,0]=4 2414 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713685 [0,1,0,0,0,0|3,0,0]=4 2415 B11R1.24 Cc1cccc(c1)CNCF 34a_100000185548_100015361967 [0,1,0,0,0,0|3,0,0]=4 2416 B11R1.24 Cc1cccc(c1)COCF 34a_100011217746_100015361967 [0,1,0,0,0,0|3,0,0]=4 2417 B11R1.24 Cc1cccc(c1)COCF 7a_100011217746_100015361967 [0,1,0,0,0,0|3,0,0]=4 2418 B11R1.24 Cc1cccc(c1)CSCF 62a_100000211840_100015361967 [0,1,0,0,0,0|3,0,0]=4 2419 B11R1.24 Cc1cccc(c1)CSCF 62a_100015361967_100000211840 [0,1,0,0,0,0|3,0,0]=4 2420 B11R1.24 Cc1cccc(c1)NCC#N 2230a_100000188690_100011215382 [0,1,0,0,0,0|2,0,1]=4 2421 B11R1.24 Cc1cccc(c1)NCC=O 2230a_100000188690_200015260668 [0,1,0,0,0,0|1,0,2]=4 2422 B11R1.24 Cc1cccc(c1)NCC=O 34a_100000188690_200009817547 [0,1,0,0,0,0|1,0,2]=4 2423 B11R1.24 Cc1cccc(c1)NCCF 2230a_100000188690_100011217306 [0,1,0,0,0,0|2,0,0]=3 2424 B11R1.24 Cc1cccc(c1)NCCF 34a_100000188690_100011217306 [0,1,0,0,0,0|2,0,0]=3 2425 B11R1.24 Cc1cccc(c1)NCCO 2230a_100000188690_100000211926 [0,1,0,0,0,0|1,0,0]=2 2426 B11R1.24 Cc1cccc(c1)NCCO 34a_100000188690_100000211926 [0,1,0,0,0,0|1,0,0]=2 2427 B11R1.24 Cc1cccc(c1)OCC#N 7a_100000210337_100011215382 [0,1,0,0,0,0|1,0,1]=3 2428 B11R1.24 Cc1cccc(c1)OCC=O 34a_100000210337_200009817547 [0,1,0,0,0,0|0,0,2]=3 2429 B11R1.24 Cc1cccc(c1)OCC=O 7a_100000210337_200015260668 [0,1,0,0,0,0|0,0,2]=3 2430 B11R1.24 Cc1cccc(c1)OCCF 34a_100000210337_100011217306 [0,1,0,0,0,0|1,0,0]=2 2431 B11R1.24 Cc1cccc(c1)OCCF 7a_100000210337_100011217306 [0,1,0,0,0,0|1,0,0]=2 2432 B11R1.24 Cc1cccc(c1)OCCO 34a_100000210337_100000211926 [0,1,0,0,0,0|0,0,0]=1 2433 B11R1.24 Cc1cccc(c1)OCCO 7a_100000210337_100000211926 [0,1,0,0,0,0|0,0,0]=1 2434 B11R1.24 Cc1cccc(c1)SCC#N 62a_100011215228_100011215382 [0,1,0,0,0,0|1,1,1]=4 2435 B11R1.24 Cc1cccc(c1)SCC#N 62a_100011215382_100011215228 [0,1,0,0,0,0|1,1,1]=4 2436 B11R1.24 Cc1cccc(c1)SCC=O 62a_100011215228_200015260668 [0,1,0,0,0,0|0,1,2]=4 2437 B11R1.24 Cc1cccc(c1)SCC=O 62a_200015260668_100011215228 [0,1,0,0,0,0|0,1,2]=4 2438 B11R1.24 Cc1cccc(c1)SCCF 62a_100011215228_100011217306 [0,1,0,0,0,0|1,1,0]=3 2439 B11R1.24 Cc1cccc(c1)SCCF 62a_100011217306_100011215228 [0,1,0,0,0,0|1,1,0]=3 2440 B11R1.24 Cc1cccc(c1)SCCO 62a_100000211926_100011215228 [0,1,0,0,0,0|0,1,0]=2 2441 B11R1.24 Cc1cccc(c1)SCCO 62a_100011215228_100000211926 [0,1,0,0,0,0|0,1,0]=2 2442 B11R1.24 Cc1cccc(n1)SCCF 62a_100000742759_100011217306 [0,1,0,0,0,0|2,1,0]=4 2443 B11R1.24 Cc1cccc(n1)SCCF 62a_100011217306_100000742759 [0,1,0,0,0,0|2,1,0]=4 2444 B11R1.24 Cc1cccc(n1)SCCO 62a_100000211926_100000742759 [0,1,0,0,0,0|1,1,0]=3 2445 B11R1.24 Cc1cccc(n1)SCCO 62a_100000742759_100000211926 [0,1,0,0,0,0|1,1,0]=3 2446 B11R1.24 Cc1ccnc(c1)SCCF 62a_100000750283_100011217306 [0,1,0,0,0,0|2,1,0]=4 2447 B11R1.24 Cc1ccnc(c1)SCCF 62a_100011217306_100000750283 [0,1,0,0,0,0|2,1,0]=4 2448 B11R1.24 Cc1ccnc(c1)SCCO 62a_100000211926_100000750283 [0,1,0,0,0,0|1,1,0]=3 2449 B11R1.24 Cc1ccnc(c1)SCCO 62a_100000750283_100000211926 [0,1,0,0,0,0|1,1,0]=3 2450 B11R1.24 Cc1ccnc(n1)NCCO 27a_100000210304_100000750684 [0,1,0,0,0,0|3,0,0]=4 2451 B11R1.24 Cc1ccnc(n1)SCCO 62a_100000211926_100011243806 [0,1,0,0,0,0|2,1,0]=4 2452 B11R1.24 Cc1ccnc(n1)SCCO 62a_100011243806_100000211926 [0,1,0,0,0,0|2,1,0]=4 2453 B11R1.24 Cc1cncc(c1)OCC#N 7a_100011830280_100011215382 [0,1,0,0,0,0|2,0,1]=4 2454 B11R1.24 Cc1cncc(c1)OCC=O 34a_100011830280_200009817547 [0,1,0,0,0,0|1,0,2]=4 2455 B11R1.24 Cc1cncc(c1)OCC=O 7a_100011830280_200015260668 [0,1,0,0,0,0|1,0,2]=4 2456 B11R1.24 Cc1cncc(c1)OCCF 34a_100011830280_100011217306 [0,1,0,0,0,0|2,0,0]=3 2457 B11R1.24 Cc1cncc(c1)OCCF 7a_100011830280_100011217306 [0,1,0,0,0,0|2,0,0]=3 2458 B11R1.24 Cc1cncc(c1)OCCO 34a_100011830280_100000211926 [0,1,0,0,0,0|1,0,0]=2 2459 B11R1.24 Cc1cncc(c1)OCCO 7a_100011830280_100000211926 [0,1,0,0,0,0|1,0,0]=2 2460 B11R1.24 Cc1cncc(c1)SCCF 62a_100000760492_100011217306 [0,1,0,0,0,0|2,1,0]=4 2461 B11R1.24 Cc1cncc(c1)SCCF 62a_100011217306_100000760492 [0,1,0,0,0,0|2,1,0]=4 2462 B11R1.24 Cc1cncc(c1)SCCO 62a_100000211926_100000760492 [0,1,0,0,0,0|1,1,0]=3 2463 B11R1.24 Cc1cncc(c1)SCCO 62a_100000760492_100000211926 [0,1,0,0,0,0|1,1,0]=3 2464 B11R1.24 Cc1cncc(n1)NCCO 27a_100000210304_100000754123 [0,1,0,0,0,0|3,0,0]=4 2465 B11R1.24 Cc1cncc(n1)SCCO 62a_100000211926_100000754123 [0,1,0,0,0,0|2,1,0]=4 2466 B11R1.24 Cc1cncc(n1)SCCO 62a_100000754123_100000211926 [0,1,0,0,0,0|2,1,0]=4 2467 B11R1.24 Cc1cnnc(c1)NCCO 27a_100000210304_100000070100 [0,1,0,0,0,0|3,0,0]=4 2468 B11R1.24 Cc1cnnc(c1)OCCF 34a_100000766097_100011217306 [0,1,0,0,0,0|3,0,0]=4 2469 B11R1.24 Cc1cnnc(c1)OCCO 34a_100000766097_100000211926 [0,1,0,0,0,0|2,0,0]=3 2470 B11R1.24 Cc1cnnc(c1)SCCO 62a_100000070100_100000211926 [0,1,0,0,0,0|2,1,0]=4 2471 B11R1.24 Cc1cnnc(c1)SCCO 62a_100000211926_100000070100 [0,1,0,0,0,0|2,1,0]=4 2472 B11R1.24 Cc1nccc(n1)NCCO 27a_100000210304_100000749937 [0,1,0,0,0,0|3,0,0]=4 2473 B11R1.24 Cc1nccc(n1)SCCO 62a_100000211926_100000749937 [0,1,0,0,0,0|2,1,0]=4 2474 B11R1.24 Cc1nccc(n1)SCCO 62a_100000749937_100000211926 [0,1,0,0,0,0|2,1,0]=4 2475 B11R1.24 FCCNc1cccc(c1)Br 34a_100000210019_100011217306 [0,1,0,0,0,0|2,0,0]=3 2476 B11R1.24 FCCNc1cccc(c1)Cl 34a_100000185859_100011217306 [0,1,0,0,0,0|2,0,0]=3 2477 B11R1.24 FCCNc1cccc(c1)F 34a_100000210047_100011217306 [0,1,0,0,0,0|2,0,0]=3 2478 B11R1.24 FCCNc1cccc(c1)I 34a_100000211102_100011217306 [0,1,0,0,0,0|2,0,0]=3 2479 B11R1.24 FCCOc1cccc(c1)Br 34a_100000210342_100011217306 [0,1,0,0,0,0|1,0,0]=2 2480 B11R1.24 FCCOc1cccc(c1)Br 7a_100000210342_100011217306 [0,1,0,0,0,0|1,0,0]=2 2481 B11R1.24 FCCOc1cccc(c1)Cl 34a_100000210295_100011217306 [0,1,0,0,0,0|1,0,0]=2 2482 B11R1.24 FCCOc1cccc(c1)Cl 7a_100000210295_100011217306 [0,1,0,0,0,0|1,0,0]=2 2483 B11R1.24 FCCOc1cccc(c1)F 34a_100000210426_100011217306 [0,1,0,0,0,0|1,0,0]=2 2484 B11R1.24 FCCOc1cccc(c1)F 7a_100000210426_100011217306 [0,1,0,0,0,0|1,0,0]=2 2485 B11R1.24 FCCOc1cccc(c1)I 34a_100000211634_100011217306 [0,1,0,0,0,0|1,0,0]=2 2486 B11R1.24 FCCOc1cccc(c1)I 7a_100000211634_100011217306 [0,1,0,0,0,0|1,0,0]=2 2487 B11R1.24 FCCOc1cccc(n1)F 34a_100011432558_100011217306 [0,1,0,0,0,0|2,0,0]=3 2488 B11R1.24 FCCOc1ccnc(c1)Cl 34a_100000762945_100011217306 [0,1,0,0,0,0|2,0,0]=3 2489 B11R1.24 FCCOc1ccnc(c1)F 34a_100000732698_100011217306 [0,1,0,0,0,0|2,0,0]=3 2490 B11R1.24 FCCOc1cncc(c1)Br 34a_100000754920_100011217306 [0,1,0,0,0,0|2,0,0]=3 2491 B11R1.24 FCCOc1cncc(c1)Br 7a_100000754920_100011217306 [0,1,0,0,0,0|2,0,0]=3 2492 B11R1.24 FCCOc1cncc(c1)Cl 7a_100000032511_100011217306 [0,1,0,0,0,0|2,0,0]=3 2493 B11R1.24 FCCOc1cncc(c1)F 34a_100011830296_100011217306 [0,1,0,0,0,0|2,0,0]=3 2494 B11R1.24 FCCOc1cncc(c1)F 7a_100011830296_100011217306 [0,1,0,0,0,0|2,0,0]=3 2495 B11R1.24 FCCOc1cnnc(c1)Cl 34a_200010734679_100011217306 [0,1,0,0,0,0|3,0,0]=4 2496 B11R1.24 FCCSc1cc(ccn1)Cl 62a_100010167805_100011217306 [0,1,0,0,0,0|2,1,0]=4 2497 B11R1.24 FCCSc1cc(ccn1)Cl 62a_100011217306_100010167805 [0,1,0,0,0,0|2,1,0]=4 2498 B11R1.24 FCCSc1cc(ccn1)F 62a_100000764206_100011217306 [0,1,0,0,0,0|2,1,0]=4 2499 B11R1.24 FCCSc1cc(ccn1)F 62a_100011217306_100000764206 [0,1,0,0,0,0|2,1,0]=4 2500 B11R1.24 FCCSc1cccc(c1)Br 62a_100000691529_100011217306 [0,1,0,0,0,0|1,1,0]=3 2501 B11R1.24 FCCSc1cccc(c1)Br 62a_100011217306_100000691529 [0,1,0,0,0,0|1,1,0]=3 2502 B11R1.24 FCCSc1cccc(c1)Cl 62a_100000699651_100011217306 [0,1,0,0,0,0|1,1,0]=3 2503 B11R1.24 FCCSc1cccc(c1)Cl 62a_100011217306_100000699651 [0,1,0,0,0,0|1,1,0]=3 2504 B11R1.24 FCCSc1cccc(c1)F 62a_100000685547_100011217306 [0,1,0,0,0,0|1,1,0]=3 2505 B11R1.24 FCCSc1cccc(c1)F 62a_100011217306_100000685547 [0,1,0,0,0,0|1,1,0]=3 2506 B11R1.24 FCCSc1cccc(c1)[S] 62a_100011217306_114929384022 [0,1,0,0,0,0|1,1,0]=3 2507 B11R1.24 FCCSc1cccc(c1)[S] 62a_114929384022_100011217306 [0,1,0,0,0,0|1,1,0]=3 2508 B11R1.24 FCCSc1cccc(n1)Br 62a_100000684672_100011217306 [0,1,0,0,0,0|2,1,0]=4 2509 B11R1.24 FCCSc1cccc(n1)Br 62a_100011217306_100000684672 [0,1,0,0,0,0|2,1,0]=4 2510 B11R1.24 FCCSc1cccc(n1)Cl 62a_100000051397_100011217306 [0,1,0,0,0,0|2,1,0]=4 2511 B11R1.24 FCCSc1cccc(n1)Cl 62a_100011217306_100000051397 [0,1,0,0,0,0|2,1,0]=4 2512 B11R1.24 FCCSc1cccc(n1)F 62a_100009815982_100011217306 [0,1,0,0,0,0|2,1,0]=4 2513 B11R1.24 FCCSc1cccc(n1)F 62a_100011217306_100009815982 [0,1,0,0,0,0|2,1,0]=4 2514 B11R1.24 FCCSc1ccnc(c1)Br 62a_100009814637_100011217306 [0,1,0,0,0,0|2,1,0]=4 2515 B11R1.24 FCCSc1ccnc(c1)Br 62a_100011217306_100009814637 [0,1,0,0,0,0|2,1,0]=4 2516 B11R1.24 FCCSc1ccnc(c1)Cl 62a_100000035001_100011217306 [0,1,0,0,0,0|2,1,0]=4 2517 B11R1.24 FCCSc1ccnc(c1)Cl 62a_100011217306_100000035001 [0,1,0,0,0,0|2,1,0]=4 2518 B11R1.24 FCCSc1ccnc(c1)F 62a_100009816116_100011217306 [0,1,0,0,0,0|2,1,0]=4 2519 B11R1.24 FCCSc1ccnc(c1)F 62a_100011217306_100009816116 [0,1,0,0,0,0|2,1,0]=4 2520 B11R1.24 FCCSc1cncc(c1)Br 62a_100000728054_100011217306 [0,1,0,0,0,0|2,1,0]=4 2521 B11R1.24 FCCSc1cncc(c1)Br 62a_100011217306_100000728054 [0,1,0,0,0,0|2,1,0]=4 2522 B11R1.24 FCCSc1cncc(c1)Cl 62a_100000049639_100011217306 [0,1,0,0,0,0|2,1,0]=4 2523 B11R1.24 FCCSc1cncc(c1)Cl 62a_100011217306_100000049639 [0,1,0,0,0,0|2,1,0]=4 2524 B11R1.24 FCCSc1cncc(c1)F 62a_100000744099_100011217306 [0,1,0,0,0,0|2,1,0]=4 2525 B11R1.24 FCCSc1cncc(c1)F 62a_100011217306_100000744099 [0,1,0,0,0,0|2,1,0]=4 2526 B11R1.24 FCNCc1cccc(c1)Br 34a_100000174977_100015361967 [0,1,0,0,0,0|3,0,0]=4 2527 B11R1.24 FCNCc1cccc(c1)Cl 34a_100000174878_100015361967 [0,1,0,0,0,0|3,0,0]=4 2528 B11R1.24 FCNCc1cccc(c1)F 34a_100000174948_100015361967 [0,1,0,0,0,0|3,0,0]=4 2529 B11R1.24 FCNCc1cccc(c1)I 34a_100000106179_100015361967 [0,1,0,0,0,0|3,0,0]=4 2530 B11R1.24 FCOCc1cccc(c1)Br 34a_100000687537_100015361967 [0,1,0,0,0,0|3,0,0]=4 2531 B11R1.24 FCOCc1cccc(c1)Br 7a_100000687537_100015361967 [0,1,0,0,0,0|3,0,0]=4 2532 B11R1.24 FCOCc1cccc(c1)Cl 34a_100000241301_100015361967 [0,1,0,0,0,0|3,0,0]=4 2533 B11R1.24 FCOCc1cccc(c1)Cl 7a_100000241301_100015361967 [0,1,0,0,0,0|3,0,0]=4 2534 B11R1.24 FCOCc1cccc(c1)F 34a_100000210976_100015361967 [0,1,0,0,0,0|3,0,0]=4 2535 B11R1.24 FCOCc1cccc(c1)F 7a_100000210976_100015361967 [0,1,0,0,0,0|3,0,0]=4 2536 B11R1.24 FCOCc1cccc(c1)I 34a_100011215336_100015361967 [0,1,0,0,0,0|3,0,0]=4 2537 B11R1.24 FCOCc1cccc(c1)I 7a_100011215336_100015361967 [0,1,0,0,0,0|3,0,0]=4 2538 B11R1.24 FCSCc1cccc(c1)Br 62a_100000211773_100015361967 [0,1,0,0,0,0|3,0,0]=4 2539 B11R1.24 FCSCc1cccc(c1)Br 62a_100015361967_100000211773 [0,1,0,0,0,0|3,0,0]=4 2540 B11R1.24 FCSCc1cccc(c1)Cl 62a_100000187163_100015361967 [0,1,0,0,0,0|3,0,0]=4 2541 B11R1.24 FCSCc1cccc(c1)Cl 62a_100015361967_100000187163 [0,1,0,0,0,0|3,0,0]=4 2542 B11R1.24 FCSCc1cccc(c1)F 62a_100000230114_100015361967 [0,1,0,0,0,0|3,0,0]=4 2543 B11R1.24 FCSCc1cccc(c1)F 62a_100015361967_100000230114 [0,1,0,0,0,0|3,0,0]=4 2544 B11R1.24 FCSCc1cccc(c1)I 62a_100011218688_100015361967 [0,1,0,0,0,0|3,0,0]=4 2545 B11R1.24 FCSCc1cccc(c1)I 62a_100015361967_100011218688 [0,1,0,0,0,0|3,0,0]=4 2546 B11R1.24 N#CCCc1cccc(c1)O 271570a_203496583355_100011219771 [0,1,0,0,0,0|2,0,1]=4 2547 B11R1.24 N#CCOc1ccc[n+](c1)[O-] 7a_100000039713_100011215382 [0,1,0,0,0,0|2,0,1]=4 2548 B11R1.24 N#CCOc1cccc(c1)Br 7a_100000210342_100011215382 [0,1,0,0,0,0|1,0,1]=3 2549 B11R1.24 N#CCOc1cccc(c1)Cl 7a_100000210295_100011215382 [0,1,0,0,0,0|1,0,1]=3 2550 B11R1.24 N#CCOc1cccc(c1)F 7a_100000210426_100011215382 [0,1,0,0,0,0|1,0,1]=3 2551 B11R1.24 N#CCOc1cccc(c1)I 7a_100000211634_100011215382 [0,1,0,0,0,0|1,0,1]=3 2552 B11R1.24 N#CCOc1cccc(c1)O 271570a_203496583355_200000169433 [0,1,0,0,0,0|1,0,1]=3 2553 B11R1.24 N#CCOc1cncc(c1)Br 7a_100000754920_100011215382 [0,1,0,0,0,0|2,0,1]=4 2554 B11R1.24 N#CCOc1cncc(c1)Cl 7a_100000032511_100011215382 [0,1,0,0,0,0|2,0,1]=4 2555 B11R1.24 N#CCOc1cncc(c1)F 7a_100011830296_100011215382 [0,1,0,0,0,0|2,0,1]=4 2556 B11R1.24 N#CCSc1cccc(c1)Br 62a_100000691529_100011215382 [0,1,0,0,0,0|1,1,1]=4 2557 B11R1.24 N#CCSc1cccc(c1)Br 62a_100011215382_100000691529 [0,1,0,0,0,0|1,1,1]=4 2558 B11R1.24 N#CCSc1cccc(c1)Cl 62a_100000699651_100011215382 [0,1,0,0,0,0|1,1,1]=4 2559 B11R1.24 N#CCSc1cccc(c1)Cl 62a_100011215382_100000699651 [0,1,0,0,0,0|1,1,1]=4 2560 B11R1.24 N#CCSc1cccc(c1)F 62a_100000685547_100011215382 [0,1,0,0,0,0|1,1,1]=4 2561 B11R1.24 N#CCSc1cccc(c1)F 62a_100011215382_100000685547 [0,1,0,0,0,0|1,1,1]=4 2562 B11R1.24 N#CCSc1cccc(c1)N 62a_100000210019_100011215382 [0,1,0,0,0,0|1,1,1]=4 2563 B11R1.24 N#CCSc1cccc(c1)N 62a_100011215382_100000210019 [0,1,0,0,0,0|1,1,1]=4 2564 B11R1.24 N#CCSc1cccc(c1)O 271570a_203496583355_200011756096 [0,1,0,0,0,0|1,1,1]=4 2565 B11R1.24 N#CCSc1cccc(c1)O 62a_100011215382_100000211634 [0,1,0,0,0,0|1,1,1]=4 2566 B11R1.24 N#CCSc1cccc(c1)[S] 62a_100011215382_114929384022 [0,1,0,0,0,0|1,1,1]=4 2567 B11R1.24 N#CCSc1cccc(c1)[S] 62a_114929384022_100011215382 [0,1,0,0,0,0|1,1,1]=4 2568 B11R1.24 NCCCc1cccc(c1)O 271570a_203496583355_100000753791 [0,1,0,0,0,0|2,0,0]=3 2569 B11R1.24 NCCOc1cccc(c1)O 271570a_203496583355_100000743521 [0,1,0,0,0,0|1,0,0]=2 2570 B11R1.24 Nc1cc(ccn1)OCC=O 34a_100011834064_200009817547 [0,1,0,0,0,0|1,0,2]=4 2571 B11R1.24 Nc1cc(ccn1)OCCF 34a_100011834064_100011217306 [0,1,0,0,0,0|2,0,0]=3 2572 B11R1.24 Nc1cc(ccn1)OCCO 34a_100011834064_100000211926 [0,1,0,0,0,0|1,0,0]=2 2573 B11R1.24 Nc1cc(ccn1)SCCF 62a_100000049665_100011217306 [0,1,0,0,0,0|2,1,0]=4 2574 B11R1.24 Nc1cc(ccn1)SCCF 62a_100011217306_100000049665 [0,1,0,0,0,0|2,1,0]=4 2575 B11R1.24 Nc1cc(ccn1)SCCO 62a_100000049665_100000211926 [0,1,0,0,0,0|1,1,0]=3 2576 B11R1.24 Nc1cc(ccn1)SCCO 62a_100000211926_100000049665 [0,1,0,0,0,0|1,1,0]=3 2577 B11R1.24 Nc1cc(cnn1)OCCF 34a_200015193112_100011217306 [0,1,0,0,0,0|3,0,0]=4 2578 B11R1.24 Nc1cc(cnn1)OCCO 34a_200015193112_100000211926 [0,1,0,0,0,0|2,0,0]=3 2579 B11R1.24 Nc1cc(cnn1)SCCO 62a_100000130277_100000211926 [0,1,0,0,0,0|2,1,0]=4 2580 B11R1.24 Nc1cc(cnn1)SCCO 62a_100000211926_100000130277 [0,1,0,0,0,0|2,1,0]=4 2581 B11R1.24 Nc1cc(ncn1)NCCO 27a_100000210304_100000701291 [0,1,0,0,0,0|3,0,0]=4 2582 B11R1.24 Nc1cc(ncn1)SCCO 62a_100000211926_100000701291 [0,1,0,0,0,0|2,1,0]=4 2583 B11R1.24 Nc1cc(ncn1)SCCO 62a_100000701291_100000211926 [0,1,0,0,0,0|2,1,0]=4 2584 B11R1.24 Nc1cccc(c1)COCF 34a_100000211919_100015361967 [0,1,0,0,0,0|3,0,0]=4 2585 B11R1.24 Nc1cccc(c1)OCC=O 34a_100000210217_200009817547 [0,1,0,0,0,0|0,0,2]=3 2586 B11R1.24 Nc1cccc(c1)OCCF 34a_100000210217_100011217306 [0,1,0,0,0,0|1,0,0]=2 2587 B11R1.24 Nc1cccc(c1)OCCO 34a_100000210217_100000211926 [0,1,0,0,0,0|0,0,0]=1 2588 B11R1.24 Nc1cccc(c1)SCC=O 62a_100000210019_200015260668 [0,1,0,0,0,0|0,1,2]=4 2589 B11R1.24 Nc1cccc(c1)SCC=O 62a_200015260668_100000210019 [0,1,0,0,0,0|0,1,2]=4 2590 B11R1.24 Nc1cccc(c1)SCCF 62a_100000210019_100011217306 [0,1,0,0,0,0|1,1,0]=3 2591 B11R1.24 Nc1cccc(c1)SCCF 62a_100011217306_100000210019 [0,1,0,0,0,0|1,1,0]=3 2592 B11R1.24 Nc1cccc(c1)SCCO 62a_100000210019_100000211926 [0,1,0,0,0,0|0,1,0]=2 2593 B11R1.24 Nc1cccc(c1)SCCO 62a_100000211926_100000210019 [0,1,0,0,0,0|0,1,0]=2 2594 B11R1.24 Nc1cccc(n1)SCCF 62a_100000740741_100011217306 [0,1,0,0,0,0|2,1,0]=4 2595 B11R1.24 Nc1cccc(n1)SCCF 62a_100011217306_100000740741 [0,1,0,0,0,0|2,1,0]=4 2596 B11R1.24 Nc1cccc(n1)SCCO 62a_100000211926_100000740741 [0,1,0,0,0,0|1,1,0]=3 2597 B11R1.24 Nc1cccc(n1)SCCO 62a_100000740741_100000211926 [0,1,0,0,0,0|1,1,0]=3 2598 B11R1.24 Nc1ccnc(c1)SCCF 62a_100009814236_100011217306 [0,1,0,0,0,0|2,1,0]=4 2599 B11R1.24 Nc1ccnc(c1)SCCF 62a_100011217306_100009814236 [0,1,0,0,0,0|2,1,0]=4 2600 B11R1.24 Nc1ccnc(c1)SCCO 62a_100000211926_100009814236 [0,1,0,0,0,0|1,1,0]=3 2601 B11R1.24 Nc1ccnc(c1)SCCO 62a_100009814236_100000211926 [0,1,0,0,0,0|1,1,0]=3 2602 B11R1.24 Nc1ccnc(n1)NCCO 27a_100000210304_100000757536 [0,1,0,0,0,0|3,0,0]=4 2603 B11R1.24 Nc1ccnc(n1)SCCO 62a_100000211926_100000757536 [0,1,0,0,0,0|2,1,0]=4 2604 B11R1.24 Nc1ccnc(n1)SCCO 62a_100000757536_100000211926 [0,1,0,0,0,0|2,1,0]=4 2605 B11R1.24 Nc1cncc(c1)OCC=O 34a_100011997051_200009817547 [0,1,0,0,0,0|1,0,2]=4 2606 B11R1.24 Nc1cncc(c1)OCCF 34a_100011997051_100011217306 [0,1,0,0,0,0|2,0,0]=3 2607 B11R1.24 Nc1cncc(c1)OCCO 34a_100011997051_100000211926 [0,1,0,0,0,0|1,0,0]=2 2608 B11R1.24 Nc1cncc(c1)SCCF 62a_100000687067_100011217306 [0,1,0,0,0,0|2,1,0]=4 2609 B11R1.24 Nc1cncc(c1)SCCF 62a_100011217306_100000687067 [0,1,0,0,0,0|2,1,0]=4 2610 B11R1.24 Nc1cncc(c1)SCCO 62a_100000211926_100000687067 [0,1,0,0,0,0|1,1,0]=3 2611 B11R1.24 Nc1cncc(c1)SCCO 62a_100000687067_100000211926 [0,1,0,0,0,0|1,1,0]=3 2612 B11R1.24 Nc1cncc(n1)SCCO 62a_100000211926_100000747728 [0,1,0,0,0,0|2,1,0]=4 2613 B11R1.24 Nc1cncc(n1)SCCO 62a_100000747728_100000211926 [0,1,0,0,0,0|2,1,0]=4 2614 B11R1.24 Nc1cnnc(c1)SCCO 62a_100000211926_100011996757 [0,1,0,0,0,0|2,1,0]=4 2615 B11R1.24 Nc1cnnc(c1)SCCO 62a_100011996757_100000211926 [0,1,0,0,0,0|2,1,0]=4 2616 B11R1.24 Nc1nccc(n1)NCCO 27a_100000210304_100000055538 [0,1,0,0,0,0|3,0,0]=4 2617 B11R1.24 Nc1nccc(n1)SCCO 62a_100000055538_100000211926 [0,1,0,0,0,0|2,1,0]=4 2618 B11R1.24 Nc1nccc(n1)SCCO 62a_100000211926_100000055538 [0,1,0,0,0,0|2,1,0]=4 2619 B11R1.24 O=CCNc1cccc(c1)Br 34a_100000210019_200009817547 [0,1,0,0,0,0|1,0,2]=4 2620 B11R1.24 O=CCNc1cccc(c1)Cl 34a_100000185859_200009817547 [0,1,0,0,0,0|1,0,2]=4 2621 B11R1.24 O=CCNc1cccc(c1)F 34a_100000210047_200009817547 [0,1,0,0,0,0|1,0,2]=4 2622 B11R1.24 O=CCNc1cccc(c1)I 34a_100000211102_200009817547 [0,1,0,0,0,0|1,0,2]=4 2623 B11R1.24 O=CCNc1cccc(c1)O 34a_100000210217_200009817547 [0,1,0,0,0,0|1,0,2]=4 2624 B11R1.24 O=CCOc1cc[nH]c(=O)c1 34a_100000032262_200009817547 [0,1,0,0,0,0|1,0,2]=4 2625 B11R1.24 O=CCOc1ccc[n+](c1)[O-] 34a_100000039713_200009817547 [0,1,0,0,0,0|1,0,2]=4 2626 B11R1.24 O=CCOc1ccc[n+](c1)[O-] 7a_100000039713_200015260668 [0,1,0,0,0,0|1,0,2]=4 2627 B11R1.24 O=CCOc1cccc(=O)[nH]1 34a_100000033347_200009817547 [0,1,0,0,0,0|1,0,2]=4 2628 B11R1.24 O=CCOc1cccc(c1)Br 34a_100000210342_200009817547 [0,1,0,0,0,0|0,0,2]=3 2629 B11R1.24 O=CCOc1cccc(c1)Br 7a_100000210342_200015260668 [0,1,0,0,0,0|0,0,2]=3 2630 B11R1.24 O=CCOc1cccc(c1)Cl 34a_100000210295_200009817547 [0,1,0,0,0,0|0,0,2]=3 2631 B11R1.24 O=CCOc1cccc(c1)Cl 7a_100000210295_200015260668 [0,1,0,0,0,0|0,0,2]=3 2632 B11R1.24 O=CCOc1cccc(c1)F 34a_100000210426_200009817547 [0,1,0,0,0,0|0,0,2]=3 2633 B11R1.24 O=CCOc1cccc(c1)F 7a_100000210426_200015260668 [0,1,0,0,0,0|0,0,2]=3 2634 B11R1.24 O=CCOc1cccc(c1)I 34a_100000211634_200009817547 [0,1,0,0,0,0|0,0,2]=3 2635 B11R1.24 O=CCOc1cccc(c1)I 7a_100000211634_200015260668 [0,1,0,0,0,0|0,0,2]=3 2636 B11R1.24 O=CCOc1cccc(n1)F 34a_100011432558_200009817547 [0,1,0,0,0,0|1,0,2]=4 2637 B11R1.24 O=CCOc1ccnc(c1)Cl 34a_100000762945_200009817547 [0,1,0,0,0,0|1,0,2]=4 2638 B11R1.24 O=CCOc1ccnc(c1)F 34a_100000732698_200009817547 [0,1,0,0,0,0|1,0,2]=4 2639 B11R1.24 O=CCOc1cncc(c1)Br 34a_100000754920_200009817547 [0,1,0,0,0,0|1,0,2]=4 2640 B11R1.24 O=CCOc1cncc(c1)Br 7a_100000754920_200015260668 [0,1,0,0,0,0|1,0,2]=4 2641 B11R1.24 O=CCOc1cncc(c1)Cl 7a_100000032511_200015260668 [0,1,0,0,0,0|1,0,2]=4 2642 B11R1.24 O=CCOc1cncc(c1)F 34a_100011830296_200009817547 [0,1,0,0,0,0|1,0,2]=4 2643 B11R1.24 O=CCOc1cncc(c1)F 7a_100011830296_200015260668 [0,1,0,0,0,0|1,0,2]=4 2644 B11R1.24 O=CCSc1cccc(c1)Br 62a_100000691529_200015260668 [0,1,0,0,0,0|0,1,2]=4 2645 B11R1.24 O=CCSc1cccc(c1)Br 62a_200015260668_100000691529 [0,1,0,0,0,0|0,1,2]=4 2646 B11R1.24 O=CCSc1cccc(c1)Cl 62a_100000699651_200015260668 [0,1,0,0,0,0|0,1,2]=4 2647 B11R1.24 O=CCSc1cccc(c1)Cl 62a_200015260668_100000699651 [0,1,0,0,0,0|0,1,2]=4 2648 B11R1.24 O=CCSc1cccc(c1)F 62a_100000685547_200015260668 [0,1,0,0,0,0|0,1,2]=4 2649 B11R1.24 O=CCSc1cccc(c1)F 62a_200015260668_100000685547 [0,1,0,0,0,0|0,1,2]=4 2650 B11R1.24 O=CCSc1cccc(c1)O 62a_200015260668_100000211634 [0,1,0,0,0,0|0,1,2]=4 2651 B11R1.24 O=CCSc1cccc(c1)[S] 62a_114929384022_200015260668 [0,1,0,0,0,0|0,1,2]=4 2652 B11R1.24 O=CCSc1cccc(c1)[S] 62a_200015260668_114929384022 [0,1,0,0,0,0|0,1,2]=4 2653 B11R1.24 O=c1cc(cc[nH]1)NCCO 27a_100000210304_100000061649 [0,1,0,0,0,0|2,0,0]=3 2654 B11R1.24 O=c1cc(cc[nH]1)OCCF 34a_100000032262_100011217306 [0,1,0,0,0,0|2,0,0]=3 2655 B11R1.24 O=c1cc(cc[nH]1)OCCO 34a_100000032262_100000211926 [0,1,0,0,0,0|1,0,0]=2 2656 B11R1.24 O=c1cc(cc[nH]1)SCCF 62a_100009816521_100011217306 [0,1,0,0,0,0|2,1,0]=4 2657 B11R1.24 O=c1cc(cc[nH]1)SCCF 62a_100011217306_100009816521 [0,1,0,0,0,0|2,1,0]=4 2658 B11R1.24 O=c1cc(cc[nH]1)SCCO 62a_100000211926_100009816521 [0,1,0,0,0,0|1,1,0]=3 2659 B11R1.24 O=c1cc(cc[nH]1)SCCO 62a_100009816521_100000211926 [0,1,0,0,0,0|1,1,0]=3 2660 B11R1.24 O=c1cc(cn[nH]1)SCCO 62a_100000211926_100010197405 [0,1,0,0,0,0|2,1,0]=4 2661 B11R1.24 O=c1cc(nc[nH]1)SCCO 62a_100012002517_100000211926 [0,1,0,0,0,0|2,1,0]=4 2662 B11R1.24 O=c1cc[nH]c(c1)SCCF 62a_100009817434_100011217306 [0,1,0,0,0,0|2,1,0]=4 2663 B11R1.24 O=c1cc[nH]c(c1)SCCO 62a_100009817434_100000211926 [0,1,0,0,0,0|1,1,0]=3 2664 B11R1.24 O=c1cccc([nH]1)OCCF 34a_100000033347_100011217306 [0,1,0,0,0,0|2,0,0]=3 2665 B11R1.24 O=c1cccc([nH]1)OCCO 34a_100000033347_100000211926 [0,1,0,0,0,0|1,0,0]=2 2666 B11R1.24 O=c1cccc([nH]1)SCCF 62a_100011217306_100000752884 [0,1,0,0,0,0|2,1,0]=4 2667 B11R1.24 O=c1cccc([nH]1)SCCO 62a_100000211926_100000752884 [0,1,0,0,0,0|1,1,0]=3 2668 B11R1.24 O=c1nc(cc[nH]1)NCCO 27a_100000210304_200000134032 [0,1,0,0,0,0|3,0,0]=4 2669 B11R1.24 O=c1nc(cc[nH]1)SCCO 62a_100000211926_200000134032 [0,1,0,0,0,0|2,1,0]=4 2670 B11R1.24 OCC#Cc1cccc(c1)O 271570a_203496583355_100009814051 [0,1,0,0,0,0|1,0,1]=3 2671 B11R1.24 OCCCc1cccc(c1)O 271570a_203496583355_100011709248 [0,1,0,0,0,0|1,0,0]=2 2672 B11R1.24 OCCNc1cc(ccn1)F 27a_100000210304_100000764206 [0,1,0,0,0,0|2,0,0]=3 2673 B11R1.24 OCCNc1cc(ncn1)F 27a_100000210304_200009880791 [0,1,0,0,0,0|3,0,0]=4 2674 B11R1.24 OCCNc1cc(ncn1)O 271570a_203496583355_200011443279 [0,1,0,0,0,0|3,0,0]=4 2675 B11R1.24 OCCNc1cc(ncn1)O 27a_100000210304_100000765262 [0,1,0,0,0,0|3,0,0]=4 2676 B11R1.24 OCCNc1cccc(c1)Br 34a_100000210019_100000211926 [0,1,0,0,0,0|1,0,0]=2 2677 B11R1.24 OCCNc1cccc(c1)Cl 34a_100000185859_100000211926 [0,1,0,0,0,0|1,0,0]=2 2678 B11R1.24 OCCNc1cccc(c1)F 34a_100000210047_100000211926 [0,1,0,0,0,0|1,0,0]=2 2679 B11R1.24 OCCNc1cccc(c1)I 34a_100000211102_100000211926 [0,1,0,0,0,0|1,0,0]=2 2680 B11R1.24 OCCNc1cccc(c1)O 34a_100000210217_100000211926 [0,1,0,0,0,0|1,0,0]=2 2681 B11R1.24 OCCNc1cccc(n1)F 27a_100000210304_100009815982 [0,1,0,0,0,0|2,0,0]=3 2682 B11R1.24 OCCNc1cccc(n1)O 271570a_203496583355_200011880208 [0,1,0,0,0,0|2,0,0]=3 2683 B11R1.24 OCCNc1ccnc(c1)F 27a_100000210304_100009816116 [0,1,0,0,0,0|2,0,0]=3 2684 B11R1.24 OCCNc1cncc(n1)Cl 27a_100000210304_100010892449 [0,1,0,0,0,0|3,0,0]=4 2685 B11R1.24 OCCNc1cncc(n1)F 27a_100000210304_200009863489 [0,1,0,0,0,0|3,0,0]=4 2686 B11R1.24 OCCNc1nccc(n1)O 27a_100000210304_100011649813 [0,1,0,0,0,0|3,0,0]=4 2687 B11R1.24 OCCOc1cccc(c1)Br 34a_100000210342_100000211926 [0,1,0,0,0,0|0,0,0]=1 2688 B11R1.24 OCCOc1cccc(c1)Br 7a_100000210342_100000211926 [0,1,0,0,0,0|0,0,0]=1 2689 B11R1.24 OCCOc1cccc(c1)Cl 34a_100000210295_100000211926 [0,1,0,0,0,0|0,0,0]=1 2690 B11R1.24 OCCOc1cccc(c1)Cl 7a_100000210295_100000211926 [0,1,0,0,0,0|0,0,0]=1 2691 B11R1.24 OCCOc1cccc(c1)F 34a_100000210426_100000211926 [0,1,0,0,0,0|0,0,0]=1 2692 B11R1.24 OCCOc1cccc(c1)F 7a_100000210426_100000211926 [0,1,0,0,0,0|0,0,0]=1 2693 B11R1.24 OCCOc1cccc(c1)I 34a_100000211634_100000211926 [0,1,0,0,0,0|0,0,0]=1 2694 B11R1.24 OCCOc1cccc(c1)I 7a_100000211634_100000211926 [0,1,0,0,0,0|0,0,0]=1 2695 B11R1.24 OCCOc1cccc(c1)O 271570a_203496583355_100000757546 [0,1,0,0,0,0|0,0,0]=1 2696 B11R1.24 OCCOc1cccc(n1)F 34a_100011432558_100000211926 [0,1,0,0,0,0|1,0,0]=2 2697 B11R1.24 OCCOc1ccnc(c1)Cl 34a_100000762945_100000211926 [0,1,0,0,0,0|1,0,0]=2 2698 B11R1.24 OCCOc1ccnc(c1)F 34a_100000732698_100000211926 [0,1,0,0,0,0|1,0,0]=2 2699 B11R1.24 OCCOc1cncc(c1)Br 34a_100000754920_100000211926 [0,1,0,0,0,0|1,0,0]=2 2700 B11R1.24 OCCOc1cncc(c1)Br 7a_100000754920_100000211926 [0,1,0,0,0,0|1,0,0]=2 2701 B11R1.24 OCCOc1cncc(c1)Cl 7a_100000032511_100000211926 [0,1,0,0,0,0|1,0,0]=2 2702 B11R1.24 OCCOc1cncc(c1)F 34a_100011830296_100000211926 [0,1,0,0,0,0|1,0,0]=2 2703 B11R1.24 OCCOc1cncc(c1)F 7a_100011830296_100000211926 [0,1,0,0,0,0|1,0,0]=2 2704 B11R1.24 OCCOc1cnnc(c1)Cl 34a_200010734679_100000211926 [0,1,0,0,0,0|2,0,0]=3 2705 B11R1.24 OCCSc1cc(ccn1)Cl 62a_100000211926_100010167805 [0,1,0,0,0,0|1,1,0]=3 2706 B11R1.24 OCCSc1cc(ccn1)Cl 62a_100010167805_100000211926 [0,1,0,0,0,0|1,1,0]=3 2707 B11R1.24 OCCSc1cc(ccn1)F 62a_100000211926_100000764206 [0,1,0,0,0,0|1,1,0]=3 2708 B11R1.24 OCCSc1cc(ccn1)F 62a_100000764206_100000211926 [0,1,0,0,0,0|1,1,0]=3 2709 B11R1.24 OCCSc1cc(ccn1)O 62a_100000211926_100000762945 [0,1,0,0,0,0|1,1,0]=3 2710 B11R1.24 OCCSc1cc(cnn1)O 62a_100000211926_200010734679 [0,1,0,0,0,0|2,1,0]=4 2711 B11R1.24 OCCSc1cc(ncn1)Cl 62a_100000211926_100010161198 [0,1,0,0,0,0|2,1,0]=4 2712 B11R1.24 OCCSc1cc(ncn1)Cl 62a_100010161198_100000211926 [0,1,0,0,0,0|2,1,0]=4 2713 B11R1.24 OCCSc1cc(ncn1)F 62a_100000211926_200009880791 [0,1,0,0,0,0|2,1,0]=4 2714 B11R1.24 OCCSc1cc(ncn1)F 62a_200009880791_100000211926 [0,1,0,0,0,0|2,1,0]=4 2715 B11R1.24 OCCSc1cc(ncn1)O 62a_100000211926_100000765262 [0,1,0,0,0,0|2,1,0]=4 2716 B11R1.24 OCCSc1cccc(c1)Br 62a_100000211926_100000691529 [0,1,0,0,0,0|0,1,0]=2 2717 B11R1.24 OCCSc1cccc(c1)Br 62a_100000691529_100000211926 [0,1,0,0,0,0|0,1,0]=2 2718 B11R1.24 OCCSc1cccc(c1)Cl 62a_100000211926_100000699651 [0,1,0,0,0,0|0,1,0]=2 2719 B11R1.24 OCCSc1cccc(c1)Cl 62a_100000699651_100000211926 [0,1,0,0,0,0|0,1,0]=2 2720 B11R1.24 OCCSc1cccc(c1)F 62a_100000211926_100000685547 [0,1,0,0,0,0|0,1,0]=2 2721 B11R1.24 OCCSc1cccc(c1)F 62a_100000685547_100000211926 [0,1,0,0,0,0|0,1,0]=2 2722 B11R1.24 OCCSc1cccc(c1)O 271570a_203496583355_200011756134 [0,1,0,0,0,0|0,1,0]=2 2723 B11R1.24 OCCSc1cccc(c1)O 62a_100000211926_100000211634 [0,1,0,0,0,0|0,1,0]=2 2724 B11R1.24 OCCSc1cccc(c1)[S] 62a_100000211926_114929384022 [0,1,0,0,0,0|0,1,0]=2 2725 B11R1.24 OCCSc1cccc(c1)[S] 62a_114929384022_100000211926 [0,1,0,0,0,0|0,1,0]=2 2726 B11R1.24 OCCSc1cccc(n1)Br 62a_100000211926_100000684672 [0,1,0,0,0,0|1,1,0]=3 2727 B11R1.24 OCCSc1cccc(n1)Br 62a_100000684672_100000211926 [0,1,0,0,0,0|1,1,0]=3 2728 B11R1.24 OCCSc1cccc(n1)Cl 62a_100000051397_100000211926 [0,1,0,0,0,0|1,1,0]=3 2729 B11R1.24 OCCSc1cccc(n1)Cl 62a_100000211926_100000051397 [0,1,0,0,0,0|1,1,0]=3 2730 B11R1.24 OCCSc1cccc(n1)F 62a_100000211926_100009815982 [0,1,0,0,0,0|1,1,0]=3 2731 B11R1.24 OCCSc1cccc(n1)F 62a_100009815982_100000211926 [0,1,0,0,0,0|1,1,0]=3 2732 B11R1.24 OCCSc1ccnc(c1)Br 62a_100000211926_100009814637 [0,1,0,0,0,0|1,1,0]=3 2733 B11R1.24 OCCSc1ccnc(c1)Br 62a_100009814637_100000211926 [0,1,0,0,0,0|1,1,0]=3 2734 B11R1.24 OCCSc1ccnc(c1)Cl 62a_100000035001_100000211926 [0,1,0,0,0,0|1,1,0]=3 2735 B11R1.24 OCCSc1ccnc(c1)Cl 62a_100000211926_100000035001 [0,1,0,0,0,0|1,1,0]=3 2736 B11R1.24 OCCSc1ccnc(c1)F 62a_100000211926_100009816116 [0,1,0,0,0,0|1,1,0]=3 2737 B11R1.24 OCCSc1ccnc(c1)F 62a_100009816116_100000211926 [0,1,0,0,0,0|1,1,0]=3 2738 B11R1.24 OCCSc1ccnc(n1)Cl 62a_100000211926_100010154678 [0,1,0,0,0,0|2,1,0]=4 2739 B11R1.24 OCCSc1ccnc(n1)Cl 62a_100010154678_100000211926 [0,1,0,0,0,0|2,1,0]=4 2740 B11R1.24 OCCSc1cncc(c1)Br 62a_100000211926_100000728054 [0,1,0,0,0,0|1,1,0]=3 2741 B11R1.24 OCCSc1cncc(c1)Br 62a_100000728054_100000211926 [0,1,0,0,0,0|1,1,0]=3 2742 B11R1.24 OCCSc1cncc(c1)Cl 62a_100000049639_100000211926 [0,1,0,0,0,0|1,1,0]=3 2743 B11R1.24 OCCSc1cncc(c1)Cl 62a_100000211926_100000049639 [0,1,0,0,0,0|1,1,0]=3 2744 B11R1.24 OCCSc1cncc(c1)F 62a_100000211926_100000744099 [0,1,0,0,0,0|1,1,0]=3 2745 B11R1.24 OCCSc1cncc(c1)F 62a_100000744099_100000211926 [0,1,0,0,0,0|1,1,0]=3 2746 B11R1.24 OCCSc1cncc(c1)O 62a_100000211926_100000754920 [0,1,0,0,0,0|1,1,0]=3 2747 B11R1.24 OCCSc1cncc(c1)O 62a_100000754920_100000211926 [0,1,0,0,0,0|1,1,0]=3 2748 B11R1.24 OCCSc1cncc(n1)Cl 62a_100000211926_100010892449 [0,1,0,0,0,0|2,1,0]=4 2749 B11R1.24 OCCSc1cncc(n1)Cl 62a_100010892449_100000211926 [0,1,0,0,0,0|2,1,0]=4 2750 B11R1.24 OCCSc1cncc(n1)F 62a_100000211926_200009863489 [0,1,0,0,0,0|2,1,0]=4 2751 B11R1.24 OCCSc1cncc(n1)F 62a_200009863489_100000211926 [0,1,0,0,0,0|2,1,0]=4 2752 B11R1.24 OCCSc1cncc(n1)O 62a_100000211926_100011269956 [0,1,0,0,0,0|2,1,0]=4 2753 B11R1.24 OCCSc1nccc(n1)O 62a_100000211926_100011649813 [0,1,0,0,0,0|2,1,0]=4 2754 B11R1.24 Oc1cc(cnn1)OCCF 271570a_203496583355_100009889443 [0,1,0,0,0,0|3,0,0]=4 2755 B11R1.24 Oc1cccc(c1)CNCF 34a_100000743036_100015361967 [0,1,0,0,0,0|3,0,0]=4 2756 B11R1.24 Oc1cccc(c1)CSCF 62a_100011660834_100015361967 [0,1,0,0,0,0|3,0,0]=4 2757 B11R1.24 Oc1cccc(c1)CSCF 62a_100015361967_100011660834 [0,1,0,0,0,0|3,0,0]=4 2758 B11R1.24 Oc1cccc(c1)NCCF 34a_100000210217_100011217306 [0,1,0,0,0,0|2,0,0]=3 2759 B11R1.24 Oc1cccc(c1)SCCF 62a_100011217306_100000211634 [0,1,0,0,0,0|1,1,0]=3 2760 B11R1.24 Oc1ccnc(c1)SCCF 62a_100011217306_100000762945 [0,1,0,0,0,0|2,1,0]=4 2761 B11R1.24 Oc1cncc(c1)SCCF 62a_100000754920_100011217306 [0,1,0,0,0,0|2,1,0]=4 2762 B11R1.24 Oc1cncc(c1)SCCF 62a_100011217306_100000754920 [0,1,0,0,0,0|2,1,0]=4 2763 B11R1.24 [13CH3]NCCc1cccc(c1)Br 2230a_100011207229_200025704644 [0,1,0,0,0,0|3,0,0]=4 2764 B11R1.24 [13CH3]NCCc1cccc(c1)Br 34a_100011207229_200025704644 [0,1,0,0,0,0|3,0,0]=4 2765 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 2230a_100000185263_200025704644 [0,1,0,0,0,0|3,0,0]=4 2766 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 34a_100000185263_200025704644 [0,1,0,0,0,0|3,0,0]=4 2767 B11R1.24 [13CH3]NCCc1cccc(c1)F 2230a_100000205154_200025704644 [0,1,0,0,0,0|3,0,0]=4 2768 B11R1.24 [13CH3]NCCc1cccc(c1)F 34a_100000205154_200025704644 [0,1,0,0,0,0|3,0,0]=4 2769 B11R1.24 [13CH3]NCCc1cccc(c1)O 2230a_100000747277_200025704644 [0,1,0,0,0,0|3,0,0]=4 2770 B11R1.24 [13CH3]NCCc1cccc(c1)O 34a_100000747277_200025704644 [0,1,0,0,0,0|3,0,0]=4 2771 B11R1.24 [13CH3]OCCc1cccc(c1)Br 34a_100011217444_200025704644 [0,1,0,0,0,0|3,0,0]=4 2772 B11R1.24 [13CH3]OCCc1cccc(c1)Br 7a_100011217444_200025704644 [0,1,0,0,0,0|3,0,0]=4 2773 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 34a_100000754733_200025704644 [0,1,0,0,0,0|3,0,0]=4 2774 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 7a_100000754733_200025704644 [0,1,0,0,0,0|3,0,0]=4 2775 B11R1.24 [13CH3]OCCc1cccc(c1)F 34a_100000763591_200025704644 [0,1,0,0,0,0|3,0,0]=4 2776 B11R1.24 [13CH3]OCCc1cccc(c1)F 7a_100000763591_200025704644 [0,1,0,0,0,0|3,0,0]=4 2777 B11R1.24 [13CH3]OCCc1cccc(c1)N 34a_100011996697_200025704644 [0,1,0,0,0,0|3,0,0]=4 2778 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_100011740638_200025704644 [0,1,0,0,0,0|3,0,0]=4 2779 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_200025704644_100011740638 [0,1,0,0,0,0|3,0,0]=4 2780 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_100011713710_200025704644 [0,1,0,0,0,0|3,0,0]=4 2781 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_200025704644_100011713710 [0,1,0,0,0,0|3,0,0]=4 2782 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_100011217235_200025704644 [0,1,0,0,0,0|3,0,0]=4 2783 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_200025704644_100011217235 [0,1,0,0,0,0|3,0,0]=4 2784 B11R1.24 [O-][n+]1cccc(c1)OCCF 34a_100000039713_100011217306 [0,1,0,0,0,0|2,0,0]=3 2785 B11R1.24 [O-][n+]1cccc(c1)OCCF 7a_100000039713_100011217306 [0,1,0,0,0,0|2,0,0]=3 2786 B11R1.24 [O-][n+]1cccc(c1)OCCO 34a_100000039713_100000211926 [0,1,0,0,0,0|1,0,0]=2 2787 B11R1.24 [O-][n+]1cccc(c1)OCCO 7a_100000039713_100000211926 [0,1,0,0,0,0|1,0,0]=2 2788 B11R1.24 [O-][n+]1cccc(c1)SCCF 62a_100011217306_100009815978 [0,1,0,0,0,0|2,1,0]=4 2789 B11R1.24 [O-][n+]1cccc(c1)SCCO 62a_100000211926_100009815978 [0,1,0,0,0,0|1,1,0]=3 2790 B11R1.24 [O-][n+]1ccnc(c1)NCCO 27a_100000210304_100009880115 [0,1,0,0,0,0|3,0,0]=4 2791 B11R1.24 [O-][n+]1ccnc(c1)SCCO 62a_100000211926_100009880115 [0,1,0,0,0,0|2,1,0]=4 2792 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [0,1,0,0,0,0|1,0,0]=2 2793 B11R1.28 BrCCOCc1ccccn1 34a_100000211926_100000721315 [0,1,0,0,0,0|2,0,0]=3 2794 B11R1.28 BrCCOCc1cccnc1 34a_100000211926_100000733263 [0,1,0,0,0,0|2,0,0]=3 2795 B11R1.28 BrCCOCc1cccnn1 34a_100000211926_100016990269 [0,1,0,0,0,0|3,0,0]=4 2796 B11R1.28 BrCCOCc1cnccn1 34a_100000211926_100016995436 [0,1,0,0,0,0|3,0,0]=4 2797 B11R1.28 BrCCOCc1cncnc1 34a_100000211926_100015196519 [0,1,0,0,0,0|3,0,0]=4 2798 B11R1.28 BrCCOCc1ncccn1 34a_100000211926_100000703007 [0,1,0,0,0,0|3,0,0]=4 2799 B11R1.28 C#CCCNc1ccccc1 34a_100000106764_100000688953 [0,1,0,0,0,0|2,0,0]=3 2800 B11R1.28 C#CCCOc1ccccc1 34a_100000210340_100000688953 [0,1,0,0,0,0|1,0,0]=2 2801 B11R1.28 C#CCCOc1ccccc1 7a_100000210340_100000688953 [0,1,0,0,0,0|1,0,0]=2 2802 B11R1.28 C#CCCOc1cccnc1 34a_100000210849_100000688953 [0,1,0,0,0,0|2,0,0]=3 2803 B11R1.28 C#CCCOc1cccnc1 7a_100000210849_100000688953 [0,1,0,0,0,0|2,0,0]=3 2804 B11R1.28 C#CCCOc1ccncc1 34a_100000212176_100000688953 [0,1,0,0,0,0|2,0,0]=3 2805 B11R1.28 C#CCCOc1ccnnc1 34a_100015204005_100000688953 [0,1,0,0,0,0|3,0,0]=4 2806 B11R1.28 C#CCCOc1cncnc1 7a_100000754086_100000688953 [0,1,0,0,0,0|3,0,0]=4 2807 B11R1.28 C#CCCSc1ccccc1 62a_100000688953_100000041952 [0,1,0,0,0,0|1,1,0]=3 2808 B11R1.28 C#CCCSc1ccccc1 62a_100000719477_100000688953 [0,1,0,0,0,0|1,1,0]=3 2809 B11R1.28 C#CCCSc1ccccn1 62a_100000688953_100011216584 [0,1,0,0,0,0|2,1,0]=4 2810 B11R1.28 C#CCCSc1ccccn1 62a_100011216584_100000688953 [0,1,0,0,0,0|2,1,0]=4 2811 B11R1.28 C#CCCSc1cccnc1 62a_100000210063_100000688953 [0,1,0,0,0,0|2,1,0]=4 2812 B11R1.28 C#CCCSc1cccnc1 62a_100000688953_100000210063 [0,1,0,0,0,0|2,1,0]=4 2813 B11R1.28 C#CCCSc1ccncc1 62a_100000688953_100000728582 [0,1,0,0,0,0|2,1,0]=4 2814 B11R1.28 C#CCCSc1ccncc1 62a_100000728582_100000688953 [0,1,0,0,0,0|2,1,0]=4 2815 B11R1.28 C#CCNCc1ccccc1 2230a_100015324214_100000038162 [0,1,0,0,0,0|2,0,1]=4 2816 B11R1.28 C#CCNCc1ccccc1 34a_100000212058_100015291786 [0,1,0,0,0,0|2,0,1]=4 2817 B11R1.28 C#CCNCc1ccccc1 34a_100015324214_100000184674 [0,1,0,0,0,0|2,0,1]=4 2818 B11R1.28 C#CCOCc1ccccc1 34a_100000210247_100015291786 [0,1,0,0,0,0|1,0,1]=3 2819 B11R1.28 C#CCOCc1ccccc1 34a_100000210790_100000184674 [0,1,0,0,0,0|1,0,1]=3 2820 B11R1.28 C#CCOCc1ccccc1 7a_100000210790_100000038162 [0,1,0,0,0,0|1,0,1]=3 2821 B11R1.28 C#CCOCc1ccccn1 34a_100000210247_100000721315 [0,1,0,0,0,0|2,0,1]=4 2822 B11R1.28 C#CCOCc1cccnc1 34a_100000210247_100000733263 [0,1,0,0,0,0|2,0,1]=4 2823 B11R1.28 C#CCSCc1ccccc1 62a_100000038162_100015291786 [0,1,0,0,0,0|1,1,1]=4 2824 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [0,1,0,0,0,0|2,0,1]=4 2825 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [0,1,0,0,0,0|1,0,1]=3 2826 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [0,1,0,0,0,0|1,0,1]=3 2827 B11R1.28 C/C=C/COc1cccnc1 34a_100000210849_100102629194 [0,1,0,0,0,0|2,0,1]=4 2828 B11R1.28 C/C=C/COc1cccnc1 7a_100000210849_100102629194 [0,1,0,0,0,0|2,0,1]=4 2829 B11R1.28 C/C=C/COc1ccncc1 34a_100000212176_100102629194 [0,1,0,0,0,0|2,0,1]=4 2830 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [0,1,0,0,0,0|1,1,1]=4 2831 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [0,1,0,0,0,0|1,1,1]=4 2832 B11R1.28 C=CCCNc1ccccc1 34a_100000106764_100000754431 [0,1,0,0,0,0|2,0,0]=3 2833 B11R1.28 C=CCCOc1ccccc1 34a_100000210340_100000754431 [0,1,0,0,0,0|1,0,0]=2 2834 B11R1.28 C=CCCOc1ccccc1 7a_100000210340_100000754431 [0,1,0,0,0,0|1,0,0]=2 2835 B11R1.28 C=CCCOc1cccnc1 34a_100000210849_100000754431 [0,1,0,0,0,0|2,0,0]=3 2836 B11R1.28 C=CCCOc1cccnc1 7a_100000210849_100000754431 [0,1,0,0,0,0|2,0,0]=3 2837 B11R1.28 C=CCCOc1ccncc1 34a_100000212176_100000754431 [0,1,0,0,0,0|2,0,0]=3 2838 B11R1.28 C=CCCOc1ccnnc1 34a_100015204005_100000754431 [0,1,0,0,0,0|3,0,0]=4 2839 B11R1.28 C=CCCOc1cncnc1 7a_100000754086_100000754431 [0,1,0,0,0,0|3,0,0]=4 2840 B11R1.28 C=CCCSc1ccccc1 62a_100000719477_100000754431 [0,1,0,0,0,0|1,1,0]=3 2841 B11R1.28 C=CCCSc1ccccc1 62a_100000754431_100000041952 [0,1,0,0,0,0|1,1,0]=3 2842 B11R1.28 C=CCCSc1ccccn1 62a_100000754431_100011216584 [0,1,0,0,0,0|2,1,0]=4 2843 B11R1.28 C=CCCSc1ccccn1 62a_100011216584_100000754431 [0,1,0,0,0,0|2,1,0]=4 2844 B11R1.28 C=CCCSc1cccnc1 62a_100000210063_100000754431 [0,1,0,0,0,0|2,1,0]=4 2845 B11R1.28 C=CCCSc1cccnc1 62a_100000754431_100000210063 [0,1,0,0,0,0|2,1,0]=4 2846 B11R1.28 C=CCCSc1ccncc1 62a_100000728582_100000754431 [0,1,0,0,0,0|2,1,0]=4 2847 B11R1.28 C=CCCSc1ccncc1 62a_100000754431_100000728582 [0,1,0,0,0,0|2,1,0]=4 2848 B11R1.28 C=CCNCc1ccccc1 2230a_100015324214_100000210623 [0,1,0,0,0,0|2,0,1]=4 2849 B11R1.28 C=CCNCc1ccccc1 2230a_100020586998_100015291786 [0,1,0,0,0,0|2,0,1]=4 2850 B11R1.28 C=CCNCc1ccccc1 270004a_100020586998_100015611070 [0,1,0,0,0,0|2,0,1]=4 2851 B11R1.28 C=CCNCc1ccccc1 34a_100015324214_100015514636 [0,1,0,0,0,0|2,0,1]=4 2852 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [0,1,0,0,0,0|1,0,1]=3 2853 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [0,1,0,0,0,0|1,0,1]=3 2854 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [0,1,0,0,0,0|1,0,1]=3 2855 B11R1.28 C=CCOCc1ccccn1 34a_200000210373_100000721315 [0,1,0,0,0,0|2,0,1]=4 2856 B11R1.28 C=CCOCc1cccnc1 34a_200000210373_100000733263 [0,1,0,0,0,0|2,0,1]=4 2857 B11R1.28 C=CCSCc1ccccc1 62a_100000210623_100015291786 [0,1,0,0,0,0|1,1,1]=4 2858 B11R1.28 C=CCSCc1ccccc1 62a_100000211182_100000210623 [0,1,0,0,0,0|1,1,1]=4 2859 B11R1.28 CC#CCNc1ccccc1 34a_100000106764_100000748600 [0,1,0,0,0,0|2,0,1]=4 2860 B11R1.28 CC#CCOc1ccccc1 34a_100000210340_100000748600 [0,1,0,0,0,0|1,0,1]=3 2861 B11R1.28 CC#CCOc1ccccc1 7a_100000210340_100000748600 [0,1,0,0,0,0|1,0,1]=3 2862 B11R1.28 CC#CCOc1cccnc1 34a_100000210849_100000748600 [0,1,0,0,0,0|2,0,1]=4 2863 B11R1.28 CC#CCOc1cccnc1 7a_100000210849_100000748600 [0,1,0,0,0,0|2,0,1]=4 2864 B11R1.28 CC#CCOc1ccncc1 34a_100000212176_100000748600 [0,1,0,0,0,0|2,0,1]=4 2865 B11R1.28 CC#CCSc1ccccc1 62a_100000719477_100000748600 [0,1,0,0,0,0|1,1,1]=4 2866 B11R1.28 CC#CCSc1ccccc1 62a_100000748600_100000041952 [0,1,0,0,0,0|1,1,1]=4 2867 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [0,1,0,0,0,0|2,0,1]=4 2868 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [0,1,0,0,0,0|1,0,1]=3 2869 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [0,1,0,0,0,0|1,0,1]=3 2870 B11R1.28 CC=CCOc1cccnc1 34a_100000210849_100000070051 [0,1,0,0,0,0|2,0,1]=4 2871 B11R1.28 CC=CCOc1cccnc1 7a_100000210849_100000070051 [0,1,0,0,0,0|2,0,1]=4 2872 B11R1.28 CC=CCOc1ccncc1 34a_100000212176_100000070051 [0,1,0,0,0,0|2,0,1]=4 2873 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [0,1,0,0,0,0|1,1,1]=4 2874 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [0,1,0,0,0,0|1,1,1]=4 2875 B11R1.28 CCC=NNc1ccccc1 4a_100015195140_100000210100 [0,1,0,0,0,0|2,0,1]=4 2876 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [0,1,0,0,0,0|2,0,0]=3 2877 B11R1.28 CCCC=Cc1ccccn1 271570a_100016258520_100011216584 [0,1,0,0,0,0|3,0,0]=4 2878 B11R1.28 CCCC=Cc1cccnc1 271570a_100016258520_100000752921 [0,1,0,0,0,0|3,0,0]=4 2879 B11R1.28 CCCC=Cc1ccncc1 271570a_100016258520_100000035832 [0,1,0,0,0,0|3,0,0]=4 2880 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [0,1,0,0,0,0|2,0,0]=3 2881 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [0,1,0,0,0,0|1,0,0]=2 2882 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [0,1,0,0,0,0|1,0,0]=2 2883 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [0,1,0,0,0,0|2,0,0]=3 2884 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [0,1,0,0,0,0|2,0,0]=3 2885 B11R1.28 CCCCOc1ccncc1 34a_100000212176_100000210210 [0,1,0,0,0,0|2,0,0]=3 2886 B11R1.28 CCCCOc1ccnnc1 34a_100015204005_100000210210 [0,1,0,0,0,0|3,0,0]=4 2887 B11R1.28 CCCCOc1cncnc1 7a_100000754086_100000210211 [0,1,0,0,0,0|3,0,0]=4 2888 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [0,1,0,0,0,0|1,1,0]=3 2889 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [0,1,0,0,0,0|1,1,0]=3 2890 B11R1.28 CCCCSc1ccccn1 62a_100000210211_100011216584 [0,1,0,0,0,0|2,1,0]=4 2891 B11R1.28 CCCCSc1ccccn1 62a_100011216584_100000210210 [0,1,0,0,0,0|2,1,0]=4 2892 B11R1.28 CCCCSc1cccnc1 62a_100000210063_100000210210 [0,1,0,0,0,0|2,1,0]=4 2893 B11R1.28 CCCCSc1cccnc1 62a_100000210211_100000210063 [0,1,0,0,0,0|2,1,0]=4 2894 B11R1.28 CCCCSc1ccncc1 62a_100000210211_100000728582 [0,1,0,0,0,0|2,1,0]=4 2895 B11R1.28 CCCCSc1ccncc1 62a_100000728582_100000210210 [0,1,0,0,0,0|2,1,0]=4 2896 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [0,1,0,0,0,0|2,0,0]=3 2897 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [0,1,0,0,0,0|2,0,0]=3 2898 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [0,1,0,0,0,0|2,0,0]=3 2899 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [0,1,0,0,0,0|2,0,0]=3 2900 B11R1.28 CCCNCc1ccccn1 207a_100020643023_100000209966 [0,1,0,0,0,0|3,0,0]=4 2901 B11R1.28 CCCNCc1ccccn1 270004a_100020643023_100000209966 [0,1,0,0,0,0|3,0,0]=4 2902 B11R1.28 CCCNCc1cccnc1 207a_100020643023_100000209961 [0,1,0,0,0,0|3,0,0]=4 2903 B11R1.28 CCCNCc1cccnc1 270004a_100020643023_100000209961 [0,1,0,0,0,0|3,0,0]=4 2904 B11R1.28 CCCNCc1ccncc1 207a_100020643023_100000186114 [0,1,0,0,0,0|3,0,0]=4 2905 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [0,1,0,0,0,0|1,0,0]=2 2906 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [0,1,0,0,0,0|1,0,0]=2 2907 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [0,1,0,0,0,0|1,0,0]=2 2908 B11R1.28 CCCOCc1ccccn1 34a_100000210258_100000721315 [0,1,0,0,0,0|2,0,0]=3 2909 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [0,1,0,0,0,0|2,0,0]=3 2910 B11R1.28 CCCOCc1cccnn1 34a_100000210258_100016990269 [0,1,0,0,0,0|3,0,0]=4 2911 B11R1.28 CCCOCc1cnccn1 34a_100000210258_100016995436 [0,1,0,0,0,0|3,0,0]=4 2912 B11R1.28 CCCOCc1cncnc1 34a_100000210258_100015196519 [0,1,0,0,0,0|3,0,0]=4 2913 B11R1.28 CCCOCc1ncccn1 34a_100000210258_100000703007 [0,1,0,0,0,0|3,0,0]=4 2914 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [0,1,0,0,0,0|1,1,0]=3 2915 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [0,1,0,0,0,0|1,1,0]=3 2916 B11R1.28 CCCSCc1ccccn1 62a_100000210303_100000721315 [0,1,0,0,0,0|2,1,0]=4 2917 B11R1.28 CCCSCc1ccccn1 62a_100000721315_100000210303 [0,1,0,0,0,0|2,1,0]=4 2918 B11R1.28 CCCSCc1cccnc1 62a_100000210303_100000741622 [0,1,0,0,0,0|2,1,0]=4 2919 B11R1.28 CCCSCc1cccnc1 62a_100000741622_100000210303 [0,1,0,0,0,0|2,1,0]=4 2920 B11R1.28 CCCSCc1ccncc1 62a_100000210303_100015193705 [0,1,0,0,0,0|2,1,0]=4 2921 B11R1.28 CCCSCc1ccncc1 62a_100015193705_100000210303 [0,1,0,0,0,0|2,1,0]=4 2922 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [0,1,0,0,0,0|2,0,0]=3 2923 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [0,1,0,0,0,0|2,0,0]=3 2924 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [0,1,0,0,0,0|2,0,0]=3 2925 B11R1.28 CCNCCc1ccccn1 2230a_100015525214_100015183660 [0,1,0,0,0,0|3,0,0]=4 2926 B11R1.28 CCNCCc1cccnc1 2230a_100000736294_100000210202 [0,1,0,0,0,0|3,0,0]=4 2927 B11R1.28 CCNCCc1cccnc1 2230a_100015525214_200011713674 [0,1,0,0,0,0|3,0,0]=4 2928 B11R1.28 CCNCCc1ccncc1 2230a_100015525214_100000723409 [0,1,0,0,0,0|3,0,0]=4 2929 B11R1.28 CCNCSc1ccccc1 2230a_100015525214_100011218342 [0,1,0,0,0,0|1,1,0]=3 2930 B11R1.28 CCNN=Cc1ccccc1 4a_100000756455_100015611070 [0,1,0,0,0,0|3,0,0]=4 2931 B11R1.28 CCOC=Cc1ccccc1 271570a_100016256518_100000210277 [0,1,0,0,0,0|2,0,1]=4 2932 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [0,1,0,0,0,0|2,0,0]=3 2933 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [0,1,0,0,0,0|2,0,0]=3 2934 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [0,1,0,0,0,0|2,0,0]=3 2935 B11R1.28 CCOCCc1ccccn1 34a_100000210271_100000210202 [0,1,0,0,0,0|3,0,0]=4 2936 B11R1.28 CCOCCc1cccnc1 34a_100011217484_100000210202 [0,1,0,0,0,0|3,0,0]=4 2937 B11R1.28 CCOCCc1ccncc1 34a_100011216225_100000210202 [0,1,0,0,0,0|3,0,0]=4 2938 B11R1.28 CCOCSc1ccccc1 62a_100000719477_100000739092 [0,1,0,0,0,0|1,1,0]=3 2939 B11R1.28 CCOCSc1ccccc1 62a_100000739092_100000041952 [0,1,0,0,0,0|1,1,0]=3 2940 B11R1.28 CCOCSc1ccccn1 62a_100000739092_100011216584 [0,1,0,0,0,0|2,1,0]=4 2941 B11R1.28 CCOCSc1ccccn1 62a_100011216584_100000739092 [0,1,0,0,0,0|2,1,0]=4 2942 B11R1.28 CCOCSc1cccnc1 62a_100000210063_100000739092 [0,1,0,0,0,0|2,1,0]=4 2943 B11R1.28 CCOCSc1cccnc1 62a_100000739092_100000210063 [0,1,0,0,0,0|2,1,0]=4 2944 B11R1.28 CCOCSc1ccncc1 62a_100000728582_100000739092 [0,1,0,0,0,0|2,1,0]=4 2945 B11R1.28 CCOCSc1ccncc1 62a_100000739092_100000728582 [0,1,0,0,0,0|2,1,0]=4 2946 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [0,1,0,0,0,0|2,0,0]=3 2947 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [0,1,0,0,0,0|2,0,0]=3 2948 B11R1.28 CCSCCc1ccccn1 62a_100000210202_100015183660 [0,1,0,0,0,0|3,0,0]=4 2949 B11R1.28 CCSCCc1ccccn1 62a_100015183660_100000210202 [0,1,0,0,0,0|3,0,0]=4 2950 B11R1.28 CCSCCc1cccnc1 62a_100000210202_200011713674 [0,1,0,0,0,0|3,0,0]=4 2951 B11R1.28 CCSCCc1cccnc1 62a_200011713674_100000210202 [0,1,0,0,0,0|3,0,0]=4 2952 B11R1.28 CCSCCc1ccncc1 62a_100000210202_100000723409 [0,1,0,0,0,0|3,0,0]=4 2953 B11R1.28 CCSCCc1ccncc1 62a_100000723409_100000210202 [0,1,0,0,0,0|3,0,0]=4 2954 B11R1.28 CCSCSc1ccccc1 62a_100000210202_100011218342 [0,1,0,0,0,0|1,1,0]=3 2955 B11R1.28 CCSCSc1ccccc1 62a_100011218342_100000210202 [0,1,0,0,0,0|1,1,0]=3 2956 B11R1.28 CNC/C=C/c1ccccc1 2230a_100020603302_200000210301 [0,1,0,0,0,0|2,0,1]=4 2957 B11R1.28 CNC/C=C/c1ccccc1 2230a_106832991635_100016265936 [0,1,0,0,0,0|2,0,1]=4 2958 B11R1.28 CNC/C=C/c1ccccc1 34a_100020603302_200000210301 [0,1,0,0,0,0|2,0,1]=4 2959 B11R1.28 CNC/C=C/c1ccccc1 34a_100102657272_100016265936 [0,1,0,0,0,0|2,0,1]=4 2960 B11R1.28 CNC/C=C/c1ccccc1 7a_106832991635_100016265936 [0,1,0,0,0,0|2,0,1]=4 2961 B11R1.28 CNCC#Cc1ccccc1 2230a_106832991635_100011352542 [0,1,0,0,0,0|2,0,1]=4 2962 B11R1.28 CNCC#Cc1ccccc1 34a_100000735379_200000210301 [0,1,0,0,0,0|2,0,1]=4 2963 B11R1.28 CNCC#Cc1ccccc1 34a_100102657272_100011352542 [0,1,0,0,0,0|2,0,1]=4 2964 B11R1.28 CNCC#Cc1ccccc1 7a_106832991635_100011352542 [0,1,0,0,0,0|2,0,1]=4 2965 B11R1.28 CNCC=Cc1ccccc1 270004a_106832991635_100000210105 [0,1,0,0,0,0|2,0,1]=4 2966 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [0,1,0,0,0,0|2,0,0]=3 2967 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [0,1,0,0,0,0|2,0,0]=3 2968 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [0,1,0,0,0,0|2,0,0]=3 2969 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [0,1,0,0,0,0|2,0,0]=3 2970 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [0,1,0,0,0,0|2,0,0]=3 2971 B11R1.28 CNCCCc1cccnc1 2230a_100011532358_200000210301 [0,1,0,0,0,0|3,0,0]=4 2972 B11R1.28 CNCCCc1cccnc1 34a_100011532358_200000210301 [0,1,0,0,0,0|3,0,0]=4 2973 B11R1.28 CNCCCc1ccncc1 2230a_100011275580_200000210301 [0,1,0,0,0,0|3,0,0]=4 2974 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [0,1,0,0,0,0|1,0,0]=2 2975 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [0,1,0,0,0,0|1,0,0]=2 2976 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [0,1,0,0,0,0|1,0,0]=2 2977 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [0,1,0,0,0,0|1,0,0]=2 2978 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [0,1,0,0,0,0|1,0,0]=2 2979 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [0,1,0,0,0,0|1,0,0]=2 2980 B11R1.28 CNCCOc1ccccn1 2230a_106741647558_200000210301 [0,1,0,0,0,0|2,0,0]=3 2981 B11R1.28 CNCCOc1cccnc1 2230a_100000754688_200000210301 [0,1,0,0,0,0|2,0,0]=3 2982 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [0,1,0,0,0,0|1,1,0]=3 2983 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [0,1,0,0,0,0|1,1,0]=3 2984 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [0,1,0,0,0,0|1,1,0]=3 2985 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [0,1,0,0,0,0|1,1,0]=3 2986 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [0,1,0,0,0,0|2,0,0]=3 2987 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [0,1,0,0,0,0|2,0,0]=3 2988 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [0,1,0,0,0,0|2,1,0]=4 2989 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [0,1,0,0,0,0|2,1,0]=4 2990 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [0,1,0,0,0,0|1,0,1]=3 2991 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [0,1,0,0,0,0|1,0,1]=3 2992 B11R1.28 COC/C=C/c1cccnc1 34a_200102594124_200000210301 [0,1,0,0,0,0|2,0,1]=4 2993 B11R1.28 COCC#Cc1ccccc1 34a_100011217464_200000210301 [0,1,0,0,0,0|1,0,1]=3 2994 B11R1.28 COCC#Cc1ccccc1 34a_100138415774_100011352542 [0,1,0,0,0,0|1,0,1]=3 2995 B11R1.28 COCC#Cc1ccccc1 7a_100011217464_200000210301 [0,1,0,0,0,0|1,0,1]=3 2996 B11R1.28 COCC#Cc1ccccn1 34a_100011894333_200000210301 [0,1,0,0,0,0|2,0,1]=4 2997 B11R1.28 COCC#Cc1cccnc1 34a_100011376247_200000210301 [0,1,0,0,0,0|2,0,1]=4 2998 B11R1.28 COCC#Cc1ccncc1 34a_100011894393_200000210301 [0,1,0,0,0,0|2,0,1]=4 2999 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [0,1,0,0,0,0|1,0,1]=3 3000 B11R1.28 COCC=Cc1ccccn1 271570a_100016286323_100011216584 [0,1,0,0,0,0|2,0,1]=4 3001 B11R1.28 COCC=Cc1cccnc1 271570a_100016286323_100000752921 [0,1,0,0,0,0|2,0,1]=4 3002 B11R1.28 COCC=Cc1ccncc1 271570a_100016286323_100000035832 [0,1,0,0,0,0|2,0,1]=4 3003 B11R1.28 COCCCC1=CCC=CC1 34a_100020667889_200000210301 [0,1,0,0,0,0|1,0,2]=4 3004 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [0,1,0,0,0,0|1,0,0]=2 3005 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [0,1,0,0,0,0|1,0,0]=2 3006 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [0,1,0,0,0,0|1,0,0]=2 3007 B11R1.28 COCCCc1ccccn1 34a_100011215068_200000210301 [0,1,0,0,0,0|2,0,0]=3 3008 B11R1.28 COCCCc1cccnc1 34a_100000211284_200000210301 [0,1,0,0,0,0|2,0,0]=3 3009 B11R1.28 COCCCc1ccncc1 34a_100000210659_200000210301 [0,1,0,0,0,0|2,0,0]=3 3010 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [0,1,0,0,0,0|1,0,0]=2 3011 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [0,1,0,0,0,0|1,0,0]=2 3012 B11R1.28 COCCNc1cccnn1 27a_100000209980_100016991348 [0,1,0,0,0,0|3,0,0]=4 3013 B11R1.28 COCCNc1ccncc1 34a_200011243140_200000210301 [0,1,0,0,0,0|2,0,0]=3 3014 B11R1.28 COCCNc1ccncn1 27a_100000209980_100000703185 [0,1,0,0,0,0|3,0,0]=4 3015 B11R1.28 COCCNc1cnccn1 27a_100000209980_100000211759 [0,1,0,0,0,0|3,0,0]=4 3016 B11R1.28 COCCNc1ncccn1 27a_100000209980_100000211032 [0,1,0,0,0,0|3,0,0]=4 3017 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [0,1,0,0,0,0|0,0,0]=1 3018 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [0,1,0,0,0,0|0,0,0]=1 3019 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [0,1,0,0,0,0|0,0,0]=1 3020 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [0,1,0,0,0,0|0,0,0]=1 3021 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [0,1,0,0,0,0|0,0,0]=1 3022 B11R1.28 COCCOc1cccnc1 34a_100000210849_100011201679 [0,1,0,0,0,0|1,0,0]=2 3023 B11R1.28 COCCOc1cccnc1 7a_100000210849_100000233755 [0,1,0,0,0,0|1,0,0]=2 3024 B11R1.28 COCCOc1ccncc1 34a_100000212176_100011201679 [0,1,0,0,0,0|1,0,0]=2 3025 B11R1.28 COCCOc1ccnnc1 34a_100015204005_100011201679 [0,1,0,0,0,0|2,0,0]=3 3026 B11R1.28 COCCOc1cncnc1 7a_100000754086_100000233755 [0,1,0,0,0,0|2,0,0]=3 3027 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [0,1,0,0,0,0|0,1,0]=2 3028 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [0,1,0,0,0,0|0,1,0]=2 3029 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [0,1,0,0,0,0|0,1,0]=2 3030 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [0,1,0,0,0,0|0,1,0]=2 3031 B11R1.28 COCCSc1ccccn1 62a_100000233755_100011216584 [0,1,0,0,0,0|1,1,0]=3 3032 B11R1.28 COCCSc1ccccn1 62a_100011216584_100000233755 [0,1,0,0,0,0|1,1,0]=3 3033 B11R1.28 COCCSc1ccccn1 7a_100000156319_200000210301 [0,1,0,0,0,0|1,1,0]=3 3034 B11R1.28 COCCSc1cccnc1 62a_100000210063_100000233755 [0,1,0,0,0,0|1,1,0]=3 3035 B11R1.28 COCCSc1cccnc1 62a_100000233755_100000210063 [0,1,0,0,0,0|1,1,0]=3 3036 B11R1.28 COCCSc1cccnn1 62a_100000233755_100016991348 [0,1,0,0,0,0|2,1,0]=4 3037 B11R1.28 COCCSc1cccnn1 62a_100016991348_100000233755 [0,1,0,0,0,0|2,1,0]=4 3038 B11R1.28 COCCSc1ccncc1 62a_100000233755_100000728582 [0,1,0,0,0,0|1,1,0]=3 3039 B11R1.28 COCCSc1ccncc1 62a_100000728582_100000233755 [0,1,0,0,0,0|1,1,0]=3 3040 B11R1.28 COCCSc1ccncn1 62a_100000233755_100000703185 [0,1,0,0,0,0|2,1,0]=4 3041 B11R1.28 COCCSc1ccncn1 62a_100000703185_100000233755 [0,1,0,0,0,0|2,1,0]=4 3042 B11R1.28 COCCSc1ccnnc1 62a_100000233755_100000732662 [0,1,0,0,0,0|2,1,0]=4 3043 B11R1.28 COCCSc1ccnnc1 62a_100000732662_100000233755 [0,1,0,0,0,0|2,1,0]=4 3044 B11R1.28 COCCSc1cnccn1 62a_100000211759_100000233755 [0,1,0,0,0,0|2,1,0]=4 3045 B11R1.28 COCCSc1cnccn1 62a_100000233755_100000211759 [0,1,0,0,0,0|2,1,0]=4 3046 B11R1.28 COCCSc1cncnc1 62a_100000233755_100011206942 [0,1,0,0,0,0|2,1,0]=4 3047 B11R1.28 COCCSc1cncnc1 62a_100011206942_100000233755 [0,1,0,0,0,0|2,1,0]=4 3048 B11R1.28 COCCSc1ncccn1 62a_100000211032_100000233755 [0,1,0,0,0,0|2,1,0]=4 3049 B11R1.28 COCCSc1ncccn1 62a_100000233755_100000211032 [0,1,0,0,0,0|2,1,0]=4 3050 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [0,1,0,0,0,0|2,0,0]=3 3051 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [0,1,0,0,0,0|2,0,0]=3 3052 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [0,1,0,0,0,0|2,0,0]=3 3053 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [0,1,0,0,0,0|2,0,0]=3 3054 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [0,1,0,0,0,0|2,0,0]=3 3055 B11R1.28 COCSCc1ccccn1 62a_100000721315_100000766300 [0,1,0,0,0,0|3,0,0]=4 3056 B11R1.28 COCSCc1ccccn1 62a_100000766300_100000721315 [0,1,0,0,0,0|3,0,0]=4 3057 B11R1.28 COCSCc1cccnc1 62a_100000741622_100000766300 [0,1,0,0,0,0|3,0,0]=4 3058 B11R1.28 COCSCc1cccnc1 62a_100000766300_100000741622 [0,1,0,0,0,0|3,0,0]=4 3059 B11R1.28 COCSCc1ccncc1 62a_100000766300_100015193705 [0,1,0,0,0,0|3,0,0]=4 3060 B11R1.28 COCSCc1ccncc1 62a_100015193705_100000766300 [0,1,0,0,0,0|3,0,0]=4 3061 B11R1.28 CSC/C=C/c1ccccc1 62a_100016265936_200000210301 [0,1,0,0,0,0|1,1,1]=4 3062 B11R1.28 CSC/C=C/c1ccccc1 62a_200000210301_100016265936 [0,1,0,0,0,0|1,1,1]=4 3063 B11R1.28 CSCC#Cc1ccccc1 62a_200000210301_100011352542 [0,1,0,0,0,0|1,1,1]=4 3064 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [0,1,0,0,0,0|1,1,0]=3 3065 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [0,1,0,0,0,0|1,1,0]=3 3066 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [0,1,0,0,0,0|1,1,0]=3 3067 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [0,1,0,0,0,0|0,1,0]=2 3068 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [0,1,0,0,0,0|0,1,0]=2 3069 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [0,1,0,0,0,0|0,1,0]=2 3070 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [0,1,0,0,0,0|0,1,0]=2 3071 B11R1.28 CSCCOc1cccnc1 34a_100000210849_100000212216 [0,1,0,0,0,0|1,1,0]=3 3072 B11R1.28 CSCCOc1cccnc1 7a_100000210849_100000212216 [0,1,0,0,0,0|1,1,0]=3 3073 B11R1.28 CSCCOc1ccncc1 34a_100000212176_100000212216 [0,1,0,0,0,0|1,1,0]=3 3074 B11R1.28 CSCCOc1ccnnc1 34a_100015204005_100000212216 [0,1,0,0,0,0|2,1,0]=4 3075 B11R1.28 CSCCOc1cncnc1 7a_100000754086_100000212216 [0,1,0,0,0,0|2,1,0]=4 3076 B11R1.28 CSCCSc1ccccc1 62a_100000212216_100000041952 [0,1,0,0,0,0|0,2,0]=3 3077 B11R1.28 CSCCSc1ccccc1 62a_100000246102_200000210301 [0,1,0,0,0,0|0,2,0]=3 3078 B11R1.28 CSCCSc1ccccc1 62a_100000719477_100000751147 [0,1,0,0,0,0|0,2,0]=3 3079 B11R1.28 CSCCSc1ccccc1 62a_200000210301_100000246102 [0,1,0,0,0,0|0,2,0]=3 3080 B11R1.28 CSCCSc1ccccn1 62a_100000212216_100011216584 [0,1,0,0,0,0|1,2,0]=4 3081 B11R1.28 CSCCSc1ccccn1 62a_100011216584_100000751147 [0,1,0,0,0,0|1,2,0]=4 3082 B11R1.28 CSCCSc1cccnc1 62a_100000210063_100000751147 [0,1,0,0,0,0|1,2,0]=4 3083 B11R1.28 CSCCSc1cccnc1 62a_100000212216_100000210063 [0,1,0,0,0,0|1,2,0]=4 3084 B11R1.28 CSCCSc1ccncc1 62a_100000212216_100000728582 [0,1,0,0,0,0|1,2,0]=4 3085 B11R1.28 CSCCSc1ccncc1 62a_100000728582_100000751147 [0,1,0,0,0,0|1,2,0]=4 3086 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [0,1,0,0,0,0|2,1,0]=4 3087 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [0,1,0,0,0,0|2,1,0]=4 3088 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [0,1,0,0,0,0|2,0,0]=3 3089 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [0,1,0,0,0,0|2,0,0]=3 3090 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [0,1,0,0,0,0|2,0,0]=3 3091 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [0,1,0,0,0,0|2,1,0]=4 3092 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [0,1,0,0,0,0|2,1,0]=4 3093 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [0,1,0,0,0,0|2,1,0]=4 3094 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [0,1,0,0,0,0|2,1,0]=4 3095 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [0,1,0,0,0,0|2,0,0]=3 3096 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [0,1,0,0,0,0|1,0,0]=2 3097 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [0,1,0,0,0,0|1,0,0]=2 3098 B11R1.28 FCCCOc1cccnc1 34a_100000210849_100011934791 [0,1,0,0,0,0|2,0,0]=3 3099 B11R1.28 FCCCOc1cccnc1 7a_100000210849_100011934791 [0,1,0,0,0,0|2,0,0]=3 3100 B11R1.28 FCCCOc1ccncc1 34a_100000212176_100011934791 [0,1,0,0,0,0|2,0,0]=3 3101 B11R1.28 FCCCOc1ccnnc1 34a_100015204005_100011934791 [0,1,0,0,0,0|3,0,0]=4 3102 B11R1.28 FCCCOc1cncnc1 7a_100000754086_100011934791 [0,1,0,0,0,0|3,0,0]=4 3103 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [0,1,0,0,0,0|1,1,0]=3 3104 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [0,1,0,0,0,0|1,1,0]=3 3105 B11R1.28 FCCCSc1ccccn1 62a_100011216584_100011934791 [0,1,0,0,0,0|2,1,0]=4 3106 B11R1.28 FCCCSc1ccccn1 62a_100011934791_100011216584 [0,1,0,0,0,0|2,1,0]=4 3107 B11R1.28 FCCCSc1cccnc1 62a_100000210063_100011934791 [0,1,0,0,0,0|2,1,0]=4 3108 B11R1.28 FCCCSc1cccnc1 62a_100011934791_100000210063 [0,1,0,0,0,0|2,1,0]=4 3109 B11R1.28 FCCCSc1ccncc1 62a_100000728582_100011934791 [0,1,0,0,0,0|2,1,0]=4 3110 B11R1.28 FCCCSc1ccncc1 62a_100011934791_100000728582 [0,1,0,0,0,0|2,1,0]=4 3111 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [0,1,0,0,0,0|2,0,0]=3 3112 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [0,1,0,0,0,0|2,0,0]=3 3113 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [0,1,0,0,0,0|2,0,0]=3 3114 B11R1.28 FCCNCc1ccccn1 34a_100000724931_100000721315 [0,1,0,0,0,0|3,0,0]=4 3115 B11R1.28 FCCNCc1cccnc1 34a_100000724931_100000733263 [0,1,0,0,0,0|3,0,0]=4 3116 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [0,1,0,0,0,0|1,0,0]=2 3117 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [0,1,0,0,0,0|1,0,0]=2 3118 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [0,1,0,0,0,0|1,1,0]=3 3119 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [0,1,0,0,0,0|1,1,0]=3 3120 B11R1.28 FCCSCc1ccccn1 62a_100000721315_100011217306 [0,1,0,0,0,0|2,1,0]=4 3121 B11R1.28 FCCSCc1ccccn1 62a_100011217306_100000721315 [0,1,0,0,0,0|2,1,0]=4 3122 B11R1.28 FCCSCc1cccnc1 62a_100000741622_100011217306 [0,1,0,0,0,0|2,1,0]=4 3123 B11R1.28 FCCSCc1cccnc1 62a_100011217306_100000741622 [0,1,0,0,0,0|2,1,0]=4 3124 B11R1.28 FCCSCc1ccncc1 62a_100011217306_100015193705 [0,1,0,0,0,0|2,1,0]=4 3125 B11R1.28 FCCSCc1ccncc1 62a_100015193705_100011217306 [0,1,0,0,0,0|2,1,0]=4 3126 B11R1.28 FCNCCc1ccccc1 34a_100000106460_100015361967 [0,1,0,0,0,0|2,0,0]=3 3127 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [0,1,0,0,0,0|2,0,0]=3 3128 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [0,1,0,0,0,0|2,0,0]=3 3129 B11R1.28 FCOCCc1ccccn1 34a_100000210271_100015361967 [0,1,0,0,0,0|3,0,0]=4 3130 B11R1.28 FCOCCc1cccnc1 34a_100011217484_100015361967 [0,1,0,0,0,0|3,0,0]=4 3131 B11R1.28 FCOCCc1ccncc1 34a_100011216225_100015361967 [0,1,0,0,0,0|3,0,0]=4 3132 B11R1.28 FCSCCc1ccccc1 62a_100000765856_100015361967 [0,1,0,0,0,0|2,0,0]=3 3133 B11R1.28 FCSCCc1ccccc1 62a_100015361967_100011218657 [0,1,0,0,0,0|2,0,0]=3 3134 B11R1.28 FCSCCc1ccccn1 62a_100015183660_100015361967 [0,1,0,0,0,0|3,0,0]=4 3135 B11R1.28 FCSCCc1ccccn1 62a_100015361967_100015183660 [0,1,0,0,0,0|3,0,0]=4 3136 B11R1.28 FCSCCc1cccnc1 62a_100015361967_200011713674 [0,1,0,0,0,0|3,0,0]=4 3137 B11R1.28 FCSCCc1cccnc1 62a_200011713674_100015361967 [0,1,0,0,0,0|3,0,0]=4 3138 B11R1.28 FCSCCc1ccncc1 62a_100000723409_100015361967 [0,1,0,0,0,0|3,0,0]=4 3139 B11R1.28 FCSCCc1ccncc1 62a_100015361967_100000723409 [0,1,0,0,0,0|3,0,0]=4 3140 B11R1.28 FCSCSc1ccccc1 62a_100011218342_100015361967 [0,1,0,0,0,0|1,1,0]=3 3141 B11R1.28 FCSCSc1ccccc1 62a_100015361967_100011218342 [0,1,0,0,0,0|1,1,0]=3 3142 B11R1.28 N#CCCOc1ccccc1 7a_100000210340_100000184422 [0,1,0,0,0,0|1,0,0]=2 3143 B11R1.28 N#CCCOc1cccnc1 7a_100000210849_100000184422 [0,1,0,0,0,0|2,0,0]=3 3144 B11R1.28 N#CCCOc1cncnc1 7a_100000754086_100000184422 [0,1,0,0,0,0|3,0,0]=4 3145 B11R1.28 N#CCCSc1ccccc1 62a_100000719477_100011215226 [0,1,0,0,0,0|1,1,0]=3 3146 B11R1.28 N#CCCSc1ccccc1 62a_100011215226_100000041952 [0,1,0,0,0,0|1,1,0]=3 3147 B11R1.28 N#CCCSc1ccccn1 62a_100011215226_100011216584 [0,1,0,0,0,0|2,1,0]=4 3148 B11R1.28 N#CCCSc1ccccn1 62a_100011216584_100011215226 [0,1,0,0,0,0|2,1,0]=4 3149 B11R1.28 N#CCCSc1cccnc1 62a_100000210063_100011215226 [0,1,0,0,0,0|2,1,0]=4 3150 B11R1.28 N#CCCSc1cccnc1 62a_100011215226_100000210063 [0,1,0,0,0,0|2,1,0]=4 3151 B11R1.28 N#CCCSc1ccncc1 62a_100000728582_100011215226 [0,1,0,0,0,0|2,1,0]=4 3152 B11R1.28 N#CCCSc1ccncc1 62a_100011215226_100000728582 [0,1,0,0,0,0|2,1,0]=4 3153 B11R1.28 N#CCNCc1ccccc1 2230a_100015324214_100011215382 [0,1,0,0,0,0|2,0,1]=4 3154 B11R1.28 N#CCOCc1ccccc1 7a_100000210790_100011215382 [0,1,0,0,0,0|1,0,1]=3 3155 B11R1.28 N#CCSCc1ccccc1 62a_100000211182_100011215382 [0,1,0,0,0,0|1,1,1]=4 3156 B11R1.28 N#CCSCc1ccccc1 62a_100011215382_100015291786 [0,1,0,0,0,0|1,1,1]=4 3157 B11R1.28 N#CSCSc1ccccc1 62a_100000211825_100000041952 [0,1,0,0,0,0|1,1,1]=4 3158 B11R1.28 N#CSCSc1ccccc1 62a_100000719477_100000211825 [0,1,0,0,0,0|1,1,1]=4 3159 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [0,1,0,0,0,0|1,0,0]=2 3160 B11R1.28 NCCOCc1ccccn1 34a_100000210304_100000721315 [0,1,0,0,0,0|2,0,0]=3 3161 B11R1.28 NCCOCc1cccnc1 34a_100000210304_100000733263 [0,1,0,0,0,0|2,0,0]=3 3162 B11R1.28 NCCOCc1cccnn1 34a_100000210304_100016990269 [0,1,0,0,0,0|3,0,0]=4 3163 B11R1.28 NCCOCc1cnccn1 34a_100000210304_100016995436 [0,1,0,0,0,0|3,0,0]=4 3164 B11R1.28 NCCOCc1cncnc1 34a_100000210304_100015196519 [0,1,0,0,0,0|3,0,0]=4 3165 B11R1.28 NCCOCc1ncccn1 34a_100000210304_100000703007 [0,1,0,0,0,0|3,0,0]=4 3166 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [0,1,0,0,0,0|1,0,2]=4 3167 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [0,1,0,0,0,0|1,0,2]=4 3168 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [0,1,0,0,0,0|0,0,2]=3 3169 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [0,1,0,0,0,0|0,0,2]=3 3170 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [0,1,0,0,0,0|0,1,2]=4 3171 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [0,1,0,0,0,0|0,1,2]=4 3172 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [0,1,0,0,0,0|1,0,0]=2 3173 B11R1.28 OCCCNc1cccnn1 27a_100000182051_100016991348 [0,1,0,0,0,0|3,0,0]=4 3174 B11R1.28 OCCCNc1ccncn1 27a_100000182051_100000703185 [0,1,0,0,0,0|3,0,0]=4 3175 B11R1.28 OCCCNc1cnccn1 27a_100000182051_100000211759 [0,1,0,0,0,0|3,0,0]=4 3176 B11R1.28 OCCCNc1ncccn1 27a_100000182051_100000211032 [0,1,0,0,0,0|3,0,0]=4 3177 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [0,1,0,0,0,0|0,0,0]=1 3178 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [0,1,0,0,0,0|0,0,0]=1 3179 B11R1.28 OCCCOc1cccnc1 34a_100000210849_100000230001 [0,1,0,0,0,0|1,0,0]=2 3180 B11R1.28 OCCCOc1cccnc1 7a_100000210849_100011215043 [0,1,0,0,0,0|1,0,0]=2 3181 B11R1.28 OCCCOc1ccncc1 34a_100000212176_100000230001 [0,1,0,0,0,0|1,0,0]=2 3182 B11R1.28 OCCCOc1ccnnc1 34a_100015204005_100000230001 [0,1,0,0,0,0|2,0,0]=3 3183 B11R1.28 OCCCOc1cncnc1 7a_100000754086_100011215043 [0,1,0,0,0,0|2,0,0]=3 3184 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [0,1,0,0,0,0|0,1,0]=2 3185 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [0,1,0,0,0,0|0,1,0]=2 3186 B11R1.28 OCCCSc1ccccn1 62a_100011215043_100011216584 [0,1,0,0,0,0|1,1,0]=3 3187 B11R1.28 OCCCSc1ccccn1 62a_100011216584_100011215043 [0,1,0,0,0,0|1,1,0]=3 3188 B11R1.28 OCCCSc1cccnc1 62a_100000210063_100011215043 [0,1,0,0,0,0|1,1,0]=3 3189 B11R1.28 OCCCSc1cccnc1 62a_100011215043_100000210063 [0,1,0,0,0,0|1,1,0]=3 3190 B11R1.28 OCCCSc1cccnn1 62a_100011215043_100016991348 [0,1,0,0,0,0|2,1,0]=4 3191 B11R1.28 OCCCSc1cccnn1 62a_100016991348_100011215043 [0,1,0,0,0,0|2,1,0]=4 3192 B11R1.28 OCCCSc1ccncc1 62a_100000728582_100011215043 [0,1,0,0,0,0|1,1,0]=3 3193 B11R1.28 OCCCSc1ccncc1 62a_100011215043_100000728582 [0,1,0,0,0,0|1,1,0]=3 3194 B11R1.28 OCCCSc1ccncn1 62a_100000703185_100011215043 [0,1,0,0,0,0|2,1,0]=4 3195 B11R1.28 OCCCSc1ccncn1 62a_100011215043_100000703185 [0,1,0,0,0,0|2,1,0]=4 3196 B11R1.28 OCCCSc1ccnnc1 62a_100000732662_100011215043 [0,1,0,0,0,0|2,1,0]=4 3197 B11R1.28 OCCCSc1ccnnc1 62a_100011215043_100000732662 [0,1,0,0,0,0|2,1,0]=4 3198 B11R1.28 OCCCSc1cnccn1 62a_100000211759_100011215043 [0,1,0,0,0,0|2,1,0]=4 3199 B11R1.28 OCCCSc1cnccn1 62a_100011215043_100000211759 [0,1,0,0,0,0|2,1,0]=4 3200 B11R1.28 OCCCSc1cncnc1 62a_100011206942_100011215043 [0,1,0,0,0,0|2,1,0]=4 3201 B11R1.28 OCCCSc1cncnc1 62a_100011215043_100011206942 [0,1,0,0,0,0|2,1,0]=4 3202 B11R1.28 OCCCSc1ncccn1 62a_100000211032_100011215043 [0,1,0,0,0,0|2,1,0]=4 3203 B11R1.28 OCCCSc1ncccn1 62a_100011215043_100000211032 [0,1,0,0,0,0|2,1,0]=4 3204 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [0,1,0,0,0,0|1,0,0]=2 3205 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [0,1,0,0,0,0|1,0,0]=2 3206 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [0,1,0,0,0,0|1,0,0]=2 3207 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [0,1,0,0,0,0|1,0,0]=2 3208 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [0,1,0,0,0,0|1,0,0]=2 3209 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [0,1,0,0,0,0|1,0,0]=2 3210 B11R1.28 OCCNCc1ccccn1 207a_100000210304_100000209966 [0,1,0,0,0,0|2,0,0]=3 3211 B11R1.28 OCCNCc1ccccn1 2230a_100016997473_100000721315 [0,1,0,0,0,0|2,0,0]=3 3212 B11R1.28 OCCNCc1ccccn1 270004a_100000210304_100000209966 [0,1,0,0,0,0|2,0,0]=3 3213 B11R1.28 OCCNCc1ccccn1 34a_100016990907_100000721315 [0,1,0,0,0,0|2,0,0]=3 3214 B11R1.28 OCCNCc1cccnc1 207a_100000210304_100000209961 [0,1,0,0,0,0|2,0,0]=3 3215 B11R1.28 OCCNCc1cccnc1 2230a_100016997473_100000741622 [0,1,0,0,0,0|2,0,0]=3 3216 B11R1.28 OCCNCc1cccnc1 270004a_100000210304_100000209961 [0,1,0,0,0,0|2,0,0]=3 3217 B11R1.28 OCCNCc1cccnc1 34a_100016990907_100000733263 [0,1,0,0,0,0|2,0,0]=3 3218 B11R1.28 OCCNCc1cccnn1 2230a_100016997473_100016990269 [0,1,0,0,0,0|3,0,0]=4 3219 B11R1.28 OCCNCc1cccnn1 2230a_100159270163_100000211926 [0,1,0,0,0,0|3,0,0]=4 3220 B11R1.28 OCCNCc1cccnn1 34a_100016990907_100016990269 [0,1,0,0,0,0|3,0,0]=4 3221 B11R1.28 OCCNCc1ccncc1 207a_100000210304_100000186114 [0,1,0,0,0,0|2,0,0]=3 3222 B11R1.28 OCCNCc1ccncc1 2230a_100016997473_100015193705 [0,1,0,0,0,0|2,0,0]=3 3223 B11R1.28 OCCNCc1ccnnc1 270004a_100000210304_100011934578 [0,1,0,0,0,0|3,0,0]=4 3224 B11R1.28 OCCNCc1cnccn1 2230a_100016997473_100016995436 [0,1,0,0,0,0|3,0,0]=4 3225 B11R1.28 OCCNCc1cnccn1 270004a_100000210304_100000749867 [0,1,0,0,0,0|3,0,0]=4 3226 B11R1.28 OCCNCc1cnccn1 34a_100016990907_100016995436 [0,1,0,0,0,0|3,0,0]=4 3227 B11R1.28 OCCNCc1cncnc1 2230a_100011243677_100000211926 [0,1,0,0,0,0|3,0,0]=4 3228 B11R1.28 OCCNCc1cncnc1 2230a_100016997473_100015196519 [0,1,0,0,0,0|3,0,0]=4 3229 B11R1.28 OCCNCc1cncnc1 270004a_100000210304_100000749868 [0,1,0,0,0,0|3,0,0]=4 3230 B11R1.28 OCCNCc1cncnc1 34a_100016990907_100015196519 [0,1,0,0,0,0|3,0,0]=4 3231 B11R1.28 OCCNCc1ncccn1 2230a_100016997473_100000703007 [0,1,0,0,0,0|3,0,0]=4 3232 B11R1.28 OCCNCc1ncccn1 270004a_100000210304_100011532527 [0,1,0,0,0,0|3,0,0]=4 3233 B11R1.28 OCCNCc1ncccn1 34a_100016990907_100000703007 [0,1,0,0,0,0|3,0,0]=4 3234 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [0,1,0,0,0,0|0,0,0]=1 3235 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [0,1,0,0,0,0|0,0,0]=1 3236 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [0,1,0,0,0,0|0,1,0]=2 3237 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [0,1,0,0,0,0|0,1,0]=2 3238 B11R1.28 OCCSCc1ccccn1 62a_100000211926_100000721315 [0,1,0,0,0,0|1,1,0]=3 3239 B11R1.28 OCCSCc1ccccn1 62a_100000721315_100000211926 [0,1,0,0,0,0|1,1,0]=3 3240 B11R1.28 OCCSCc1cccnc1 62a_100000211926_100000741622 [0,1,0,0,0,0|1,1,0]=3 3241 B11R1.28 OCCSCc1cccnc1 62a_100000741622_100000211926 [0,1,0,0,0,0|1,1,0]=3 3242 B11R1.28 OCCSCc1cccnn1 62a_100000211926_100016990269 [0,1,0,0,0,0|2,1,0]=4 3243 B11R1.28 OCCSCc1cccnn1 62a_100016990269_100000211926 [0,1,0,0,0,0|2,1,0]=4 3244 B11R1.28 OCCSCc1ccncc1 62a_100000211926_100015193705 [0,1,0,0,0,0|1,1,0]=3 3245 B11R1.28 OCCSCc1ccncc1 62a_100015193705_100000211926 [0,1,0,0,0,0|1,1,0]=3 3246 B11R1.28 OCCSCc1cnccn1 62a_100000211926_100016995436 [0,1,0,0,0,0|2,1,0]=4 3247 B11R1.28 OCCSCc1cnccn1 62a_100016995436_100000211926 [0,1,0,0,0,0|2,1,0]=4 3248 B11R1.28 OCCSCc1cncnc1 62a_100000211926_100015196519 [0,1,0,0,0,0|2,1,0]=4 3249 B11R1.28 OCCSCc1cncnc1 62a_100015196519_100000211926 [0,1,0,0,0,0|2,1,0]=4 3250 B11R1.28 OCCSCc1ncccn1 62a_100000211926_100000703007 [0,1,0,0,0,0|2,1,0]=4 3251 B11R1.28 OCCSCc1ncccn1 62a_100000703007_100000211926 [0,1,0,0,0,0|2,1,0]=4 3252 B11R1.28 [13CH3]NC/C=C/c1ccccc1 2230a_100020603302_200025704644 [0,1,0,0,0,0|2,0,1]=4 3253 B11R1.28 [13CH3]NC/C=C/c1ccccc1 34a_100020603302_200025704644 [0,1,0,0,0,0|2,0,1]=4 3254 B11R1.28 [13CH3]NCC#Cc1ccccc1 34a_100000735379_200025704644 [0,1,0,0,0,0|2,0,1]=4 3255 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [0,1,0,0,0,0|2,0,0]=3 3256 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [0,1,0,0,0,0|2,0,0]=3 3257 B11R1.28 [13CH3]NCCCc1cccnc1 2230a_100011532358_200025704644 [0,1,0,0,0,0|3,0,0]=4 3258 B11R1.28 [13CH3]NCCCc1cccnc1 34a_100011532358_200025704644 [0,1,0,0,0,0|3,0,0]=4 3259 B11R1.28 [13CH3]NCCCc1ccncc1 2230a_100011275580_200025704644 [0,1,0,0,0,0|3,0,0]=4 3260 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [0,1,0,0,0,0|1,0,0]=2 3261 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [0,1,0,0,0,0|1,0,0]=2 3262 B11R1.28 [13CH3]NCCOc1ccccn1 2230a_106741647558_200025704644 [0,1,0,0,0,0|2,0,0]=3 3263 B11R1.28 [13CH3]NCCOc1cccnc1 2230a_100000754688_200025704644 [0,1,0,0,0,0|2,0,0]=3 3264 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [0,1,0,0,0,0|1,1,0]=3 3265 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [0,1,0,0,0,0|1,0,1]=3 3266 B11R1.28 [13CH3]OC/C=C/c1cccnc1 34a_200102594124_200025704644 [0,1,0,0,0,0|2,0,1]=4 3267 B11R1.28 [13CH3]OCC#Cc1ccccc1 34a_100011217464_200025704644 [0,1,0,0,0,0|1,0,1]=3 3268 B11R1.28 [13CH3]OCC#Cc1ccccc1 7a_100011217464_200025704644 [0,1,0,0,0,0|1,0,1]=3 3269 B11R1.28 [13CH3]OCC#Cc1ccccn1 34a_100011894333_200025704644 [0,1,0,0,0,0|2,0,1]=4 3270 B11R1.28 [13CH3]OCC#Cc1cccnc1 34a_100011376247_200025704644 [0,1,0,0,0,0|2,0,1]=4 3271 B11R1.28 [13CH3]OCC#Cc1ccncc1 34a_100011894393_200025704644 [0,1,0,0,0,0|2,0,1]=4 3272 B11R1.28 [13CH3]OCCCC1=CCC=CC1 34a_100020667889_200025704644 [0,1,0,0,0,0|1,0,2]=4 3273 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [0,1,0,0,0,0|1,0,0]=2 3274 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [0,1,0,0,0,0|1,0,0]=2 3275 B11R1.28 [13CH3]OCCCc1ccccn1 34a_100011215068_200025704644 [0,1,0,0,0,0|2,0,0]=3 3276 B11R1.28 [13CH3]OCCCc1cccnc1 34a_100000211284_200025704644 [0,1,0,0,0,0|2,0,0]=3 3277 B11R1.28 [13CH3]OCCCc1ccncc1 34a_100000210659_200025704644 [0,1,0,0,0,0|2,0,0]=3 3278 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [0,1,0,0,0,0|1,0,0]=2 3279 B11R1.28 [13CH3]OCCNc1ccncc1 34a_200011243140_200025704644 [0,1,0,0,0,0|2,0,0]=3 3280 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [0,1,0,0,0,0|0,0,0]=1 3281 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [0,1,0,0,0,0|0,0,0]=1 3282 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [0,1,0,0,0,0|0,1,0]=2 3283 B11R1.28 [13CH3]OCCSc1ccccn1 7a_100000156319_200025704644 [0,1,0,0,0,0|1,1,0]=3 3284 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_100016265936_200025704644 [0,1,0,0,0,0|1,1,1]=4 3285 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_200025704644_100016265936 [0,1,0,0,0,0|1,1,1]=4 3286 B11R1.28 [13CH3]SCC#Cc1ccccc1 62a_200025704644_100011352542 [0,1,0,0,0,0|1,1,1]=4 3287 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [0,1,0,0,0,0|1,1,0]=3 3288 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [0,1,0,0,0,0|1,1,0]=3 3289 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [0,1,0,0,0,0|0,1,0]=2 3290 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [0,1,0,0,0,0|0,1,0]=2 3291 B11R1.28 [13CH3]SCCSc1ccccc1 62a_100000246102_200025704644 [0,1,0,0,0,0|0,2,0]=3 3292 B11R1.28 [13CH3]SCCSc1ccccc1 62a_200025704644_100000246102 [0,1,0,0,0,0|0,2,0]=3 3293 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [0,1,0,0,0,0|2,0,0]=3 3294 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [0,1,0,0,0,0|2,0,0]=3 3295 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [0,1,0,0,0,0|2,1,0]=4 3296 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [0,1,0,0,0,0|2,1,0]=4 3297 B11R1.40 C#CC(C)Nc1ccccc1 34a_100000106764_200000035995 [0,1,0,0,0,0|2,0,1]=4 3298 B11R1.40 C#CC(C)Oc1ccccc1 34a_100000210340_200000035995 [0,1,0,0,0,0|1,0,1]=3 3299 B11R1.40 C#CC(C)Oc1cccnc1 34a_100000210849_200000035995 [0,1,0,0,0,0|2,0,1]=4 3300 B11R1.40 C#CC(C)Oc1ccncc1 34a_100000212176_200000035995 [0,1,0,0,0,0|2,0,1]=4 3301 B11R1.40 C#CC(C)Sc1ccccc1 62a_200000035995_100000041952 [0,1,0,0,0,0|1,1,1]=4 3302 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [0,1,0,0,0,0|1,1,1]=4 3303 B11R1.40 CC(C#N)Oc1ccccc1 7a_100000210340_100000703298 [0,1,0,0,0,0|1,0,1]=3 3304 B11R1.40 CC(C#N)Oc1cccnc1 7a_100000210849_100000703298 [0,1,0,0,0,0|2,0,1]=4 3305 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000703298_100000041952 [0,1,0,0,0,0|1,1,1]=4 3306 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000719477_100000703298 [0,1,0,0,0,0|1,1,1]=4 3307 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [0,1,0,0,0,0|1,0,0]=2 3308 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [0,1,0,0,0,0|0,0,0]=1 3309 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [0,1,0,0,0,0|0,0,0]=1 3310 B11R1.40 CC(CO)Oc1cccnc1 34a_100000210849_100012180447 [0,1,0,0,0,0|1,0,0]=2 3311 B11R1.40 CC(CO)Oc1cccnc1 7a_100000210849_100012180447 [0,1,0,0,0,0|1,0,0]=2 3312 B11R1.40 CC(CO)Oc1ccncc1 34a_100000212176_100012180447 [0,1,0,0,0,0|1,0,0]=2 3313 B11R1.40 CC(CO)Oc1ccnnc1 34a_100015204005_100012180447 [0,1,0,0,0,0|2,0,0]=3 3314 B11R1.40 CC(CO)Oc1cncnc1 7a_100000754086_100012180447 [0,1,0,0,0,0|2,0,0]=3 3315 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [0,1,0,0,0,0|0,1,0]=2 3316 B11R1.40 CC(CO)Sc1ccccn1 62a_100012180447_100011216584 [0,1,0,0,0,0|1,1,0]=3 3317 B11R1.40 CC(CO)Sc1cccnc1 62a_100012180447_100000210063 [0,1,0,0,0,0|1,1,0]=3 3318 B11R1.40 CC(CO)Sc1cccnn1 62a_100012180447_100016991348 [0,1,0,0,0,0|2,1,0]=4 3319 B11R1.40 CC(CO)Sc1ccncc1 62a_100012180447_100000728582 [0,1,0,0,0,0|1,1,0]=3 3320 B11R1.40 CC(CO)Sc1ccncn1 62a_100012180447_100000703185 [0,1,0,0,0,0|2,1,0]=4 3321 B11R1.40 CC(CO)Sc1ccnnc1 62a_100012180447_100000732662 [0,1,0,0,0,0|2,1,0]=4 3322 B11R1.40 CC(CO)Sc1cnccn1 62a_100012180447_100000211759 [0,1,0,0,0,0|2,1,0]=4 3323 B11R1.40 CC(CO)Sc1cncnc1 62a_100012180447_100011206942 [0,1,0,0,0,0|2,1,0]=4 3324 B11R1.40 CC(CO)Sc1ncccn1 62a_100012180447_100000211032 [0,1,0,0,0,0|2,1,0]=4 3325 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,1,0,0,0,0|3,0,0]=4 3326 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,1,0,0,0,0|3,0,0]=4 3327 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [0,1,0,0,0,0|3,0,0]=4 3328 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [0,1,0,0,0,0|3,0,0]=4 3329 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,1,0,0,0,0|2,0,1]=4 3330 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,1,0,0,0,0|2,0,1]=4 3331 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,1,0,0,0,0|2,0,1]=4 3332 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,1,0,0,0,0|2,0,1]=4 3333 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,1,0,0,0,0|2,0,1]=4 3334 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [0,1,0,0,0,0|2,0,0]=3 3335 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [0,1,0,0,0,0|1,0,0]=2 3336 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [0,1,0,0,0,0|1,0,0]=2 3337 B11R1.40 CCC(C)Oc1cccnc1 34a_100000210849_100011215416 [0,1,0,0,0,0|2,0,0]=3 3338 B11R1.40 CCC(C)Oc1cccnc1 7a_100000210849_100000758301 [0,1,0,0,0,0|2,0,0]=3 3339 B11R1.40 CCC(C)Oc1ccncc1 34a_100000212176_100011215416 [0,1,0,0,0,0|2,0,0]=3 3340 B11R1.40 CCC(C)Oc1ccnnc1 34a_100015204005_100011215416 [0,1,0,0,0,0|3,0,0]=4 3341 B11R1.40 CCC(C)Oc1cncnc1 7a_100000754086_100000758301 [0,1,0,0,0,0|3,0,0]=4 3342 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [0,1,0,0,0,0|1,1,0]=3 3343 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [0,1,0,0,0,0|1,1,0]=3 3344 B11R1.40 CCC(C)Sc1ccccn1 62a_100000758301_100011216584 [0,1,0,0,0,0|2,1,0]=4 3345 B11R1.40 CCC(C)Sc1ccccn1 62a_100011216584_100000758301 [0,1,0,0,0,0|2,1,0]=4 3346 B11R1.40 CCC(C)Sc1cccnc1 62a_100000210063_100000758301 [0,1,0,0,0,0|2,1,0]=4 3347 B11R1.40 CCC(C)Sc1cccnc1 62a_100000758301_100000210063 [0,1,0,0,0,0|2,1,0]=4 3348 B11R1.40 CCC(C)Sc1ccncc1 62a_100000728582_100000758301 [0,1,0,0,0,0|2,1,0]=4 3349 B11R1.40 CCC(C)Sc1ccncc1 62a_100000758301_100000728582 [0,1,0,0,0,0|2,1,0]=4 3350 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [0,1,0,0,0,0|3,0,0]=4 3351 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [0,1,0,0,0,0|3,0,0]=4 3352 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [0,1,0,0,0,0|3,0,0]=4 3353 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [0,1,0,0,0,0|3,0,0]=4 3354 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [0,1,0,0,0,0|3,0,0]=4 3355 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [0,1,0,0,0,0|3,0,0]=4 3356 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [0,1,0,0,0,0|3,0,0]=4 3357 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [0,1,0,0,0,0|3,0,0]=4 3358 B11R1.40 CN(CF)Cc1ccccc1 269982a_100000186898_100015361967 [0,1,0,0,0,0|3,0,0]=4 3359 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [0,1,0,0,0,0|3,0,0]=4 3360 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [0,1,0,0,0,0|3,0,0]=4 3361 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,1,0,0,0,0|3,0,0]=4 3362 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,1,0,0,0,0|3,0,0]=4 3363 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,1,0,0,0,0|3,0,0]=4 3364 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [0,1,0,0,0,0|2,1,0]=4 3365 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [0,1,0,0,0,0|2,1,0]=4 3366 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [0,1,0,0,0,0|3,0,0]=4 3367 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [0,1,0,0,0,0|3,0,0]=4 3368 B11R1.40 C[C@H](CO)Nc1cccnn1 27a_100000737577_100016991348 [0,1,0,0,0,0|3,0,0]=4 3369 B11R1.40 C[C@H](CO)Nc1ccncn1 27a_100000737577_100000703185 [0,1,0,0,0,0|3,0,0]=4 3370 B11R1.40 C[C@H](CO)Nc1cnccn1 27a_100000737577_100000211759 [0,1,0,0,0,0|3,0,0]=4 3371 B11R1.40 C[C@H](CO)Nc1ncccn1 27a_100000737577_100000211032 [0,1,0,0,0,0|3,0,0]=4 3372 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [0,1,0,0,0,0|0,1,0]=2 3373 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [0,1,0,0,0,0|0,1,0]=2 3374 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100011216584_100016084084 [0,1,0,0,0,0|1,1,0]=3 3375 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100016084084_100011216584 [0,1,0,0,0,0|1,1,0]=3 3376 B11R1.40 C[C@H](CO)Sc1cccnc1 62a_100000210063_100016084084 [0,1,0,0,0,0|1,1,0]=3 3377 B11R1.40 C[C@H](CO)Sc1cccnc1 62a_100016084084_100000210063 [0,1,0,0,0,0|1,1,0]=3 3378 B11R1.40 C[C@H](CO)Sc1cccnn1 62a_100016084084_100016991348 [0,1,0,0,0,0|2,1,0]=4 3379 B11R1.40 C[C@H](CO)Sc1cccnn1 62a_100016991348_100016084084 [0,1,0,0,0,0|2,1,0]=4 3380 B11R1.40 C[C@H](CO)Sc1ccncc1 62a_100000728582_100016084084 [0,1,0,0,0,0|1,1,0]=3 3381 B11R1.40 C[C@H](CO)Sc1ccncc1 62a_100016084084_100000728582 [0,1,0,0,0,0|1,1,0]=3 3382 B11R1.40 C[C@H](CO)Sc1ccncn1 62a_100000703185_100016084084 [0,1,0,0,0,0|2,1,0]=4 3383 B11R1.40 C[C@H](CO)Sc1ccncn1 62a_100016084084_100000703185 [0,1,0,0,0,0|2,1,0]=4 3384 B11R1.40 C[C@H](CO)Sc1ccnnc1 62a_100000732662_100016084084 [0,1,0,0,0,0|2,1,0]=4 3385 B11R1.40 C[C@H](CO)Sc1ccnnc1 62a_100016084084_100000732662 [0,1,0,0,0,0|2,1,0]=4 3386 B11R1.40 C[C@H](CO)Sc1cnccn1 62a_100000211759_100016084084 [0,1,0,0,0,0|2,1,0]=4 3387 B11R1.40 C[C@H](CO)Sc1cnccn1 62a_100016084084_100000211759 [0,1,0,0,0,0|2,1,0]=4 3388 B11R1.40 C[C@H](CO)Sc1cncnc1 62a_100011206942_100016084084 [0,1,0,0,0,0|2,1,0]=4 3389 B11R1.40 C[C@H](CO)Sc1cncnc1 62a_100016084084_100011206942 [0,1,0,0,0,0|2,1,0]=4 3390 B11R1.40 C[C@H](CO)Sc1ncccn1 62a_100000211032_100016084084 [0,1,0,0,0,0|2,1,0]=4 3391 B11R1.40 C[C@H](CO)Sc1ncccn1 62a_100016084084_100000211032 [0,1,0,0,0,0|2,1,0]=4 3392 B11R1.40 N#CC(F)Sc1ccccc1 62a_100000719477_200000117898 [0,1,0,0,0,0|1,1,1]=4 3393 B11R1.40 N#CC(F)Sc1ccccc1 62a_200000117898_100000041952 [0,1,0,0,0,0|1,1,1]=4 3394 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,1,0,0,0,0|1,0,1]=3 3395 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [0,1,0,0,0,0|2,0,1]=4 3396 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [0,1,0,0,0,0|2,0,1]=4 3397 B11R1.40 O=C(CO)Cc1ccncc1 1458a_100000210174_100000705612 [0,1,0,0,0,0|2,0,1]=4 3398 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [0,1,0,0,0,0|1,0,1]=3 3399 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [0,1,0,0,0,0|1,0,1]=3 3400 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [0,1,0,0,0,0|2,0,1]=4 3401 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [0,1,0,0,0,0|1,0,1]=3 3402 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [0,1,0,0,0,0|1,0,1]=3 3403 B11R1.91 C=C(C)COc1cccnc1 34a_100000210849_100000748629 [0,1,0,0,0,0|2,0,1]=4 3404 B11R1.91 C=C(C)COc1cccnc1 7a_100000210849_100000748629 [0,1,0,0,0,0|2,0,1]=4 3405 B11R1.91 C=C(C)COc1ccncc1 34a_100000212176_100000748629 [0,1,0,0,0,0|2,0,1]=4 3406 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [0,1,0,0,0,0|1,1,1]=4 3407 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [0,1,0,0,0,0|1,1,1]=4 3408 B11R1.91 C=C(F)CNc1ccccc1 34a_100000106764_100009893438 [0,1,0,0,0,0|2,0,1]=4 3409 B11R1.91 C=C(F)COc1ccccc1 34a_100000210340_100009893438 [0,1,0,0,0,0|1,0,1]=3 3410 B11R1.91 C=C(F)COc1ccccc1 7a_100000210340_100000042424 [0,1,0,0,0,0|1,0,1]=3 3411 B11R1.91 C=C(F)COc1cccnc1 34a_100000210849_100009893438 [0,1,0,0,0,0|2,0,1]=4 3412 B11R1.91 C=C(F)COc1cccnc1 7a_100000210849_100000042424 [0,1,0,0,0,0|2,0,1]=4 3413 B11R1.91 C=C(F)COc1ccncc1 34a_100000212176_100009893438 [0,1,0,0,0,0|2,0,1]=4 3414 B11R1.91 C=C(F)CSc1ccccc1 62a_100000042424_100000041952 [0,1,0,0,0,0|1,1,1]=4 3415 B11R1.91 C=C(F)CSc1ccccc1 62a_100000719477_100000042424 [0,1,0,0,0,0|1,1,1]=4 3416 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,1,0,0,0,0|1,0,2]=4 3417 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,1,0,0,0,0|1,0,2]=4 3418 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,1,0,0,0,0|0,0,2]=3 3419 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [0,1,0,0,0,0|1,0,2]=4 3420 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [0,1,0,0,0,0|1,0,2]=4 3421 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,1,0,0,0,0|0,1,2]=4 3422 B11R1.91 CC(C)C=Cc1ccccc1 271570a_100016257149_100000210277 [0,1,0,0,0,0|2,0,1]=4 3423 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [0,1,0,0,0,0|2,0,0]=3 3424 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [0,1,0,0,0,0|1,0,0]=2 3425 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [0,1,0,0,0,0|1,0,0]=2 3426 B11R1.91 CC(C)COc1cccnc1 34a_100000210849_100000210624 [0,1,0,0,0,0|2,0,0]=3 3427 B11R1.91 CC(C)COc1cccnc1 7a_100000210849_100000210760 [0,1,0,0,0,0|2,0,0]=3 3428 B11R1.91 CC(C)COc1ccncc1 34a_100000212176_100000210624 [0,1,0,0,0,0|2,0,0]=3 3429 B11R1.91 CC(C)COc1ccnnc1 34a_100015204005_100000210624 [0,1,0,0,0,0|3,0,0]=4 3430 B11R1.91 CC(C)COc1cncnc1 7a_100000754086_100000210760 [0,1,0,0,0,0|3,0,0]=4 3431 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [0,1,0,0,0,0|1,1,0]=3 3432 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [0,1,0,0,0,0|1,1,0]=3 3433 B11R1.91 CC(C)CSc1ccccn1 62a_100000210624_100011216584 [0,1,0,0,0,0|2,1,0]=4 3434 B11R1.91 CC(C)CSc1ccccn1 62a_100011216584_100000210760 [0,1,0,0,0,0|2,1,0]=4 3435 B11R1.91 CC(C)CSc1cccnc1 62a_100000210063_100000210760 [0,1,0,0,0,0|2,1,0]=4 3436 B11R1.91 CC(C)CSc1cccnc1 62a_100000210624_100000210063 [0,1,0,0,0,0|2,1,0]=4 3437 B11R1.91 CC(C)CSc1ccncc1 62a_100000210624_100000728582 [0,1,0,0,0,0|2,1,0]=4 3438 B11R1.91 CC(C)CSc1ccncc1 62a_100000728582_100000210760 [0,1,0,0,0,0|2,1,0]=4 3439 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [0,1,0,0,0,0|3,0,0]=4 3440 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [0,1,0,0,0,0|3,0,0]=4 3441 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [0,1,0,0,0,0|3,0,0]=4 3442 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [0,1,0,0,0,0|3,0,0]=4 3443 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [0,1,0,0,0,0|3,0,0]=4 3444 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [0,1,0,0,0,0|3,0,0]=4 3445 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [0,1,0,0,0,0|3,0,0]=4 3446 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [0,1,0,0,0,0|3,0,0]=4 3447 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [0,1,0,0,0,0|3,0,0]=4 3448 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [0,1,0,0,0,0|3,0,0]=4 3449 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [0,1,0,0,0,0|1,0,1]=3 3450 B11R1.91 CC(O)C=Cc1ccccn1 271570a_200011019289_100011216584 [0,1,0,0,0,0|2,0,1]=4 3451 B11R1.91 CC(O)C=Cc1cccnc1 271570a_200011019289_100000752921 [0,1,0,0,0,0|2,0,1]=4 3452 B11R1.91 CC(O)C=Cc1ccncc1 271570a_200011019289_100000035832 [0,1,0,0,0,0|2,0,1]=4 3453 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [0,1,0,0,0,0|1,0,0]=2 3454 B11R1.91 CC(O)CNc1cccnn1 27a_100000210904_100016991348 [0,1,0,0,0,0|3,0,0]=4 3455 B11R1.91 CC(O)CNc1ccncn1 27a_100000210904_100000703185 [0,1,0,0,0,0|3,0,0]=4 3456 B11R1.91 CC(O)CNc1cnccn1 27a_100000210904_100000211759 [0,1,0,0,0,0|3,0,0]=4 3457 B11R1.91 CC(O)CNc1ncccn1 27a_100000210904_100000211032 [0,1,0,0,0,0|3,0,0]=4 3458 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [0,1,0,0,0,0|0,0,0]=1 3459 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [0,1,0,0,0,0|0,0,0]=1 3460 B11R1.91 CC(O)COc1cccnc1 34a_100000210849_100011218427 [0,1,0,0,0,0|1,0,0]=2 3461 B11R1.91 CC(O)COc1cccnc1 7a_100000210849_100011218427 [0,1,0,0,0,0|1,0,0]=2 3462 B11R1.91 CC(O)COc1ccncc1 34a_100000212176_100011218427 [0,1,0,0,0,0|1,0,0]=2 3463 B11R1.91 CC(O)COc1ccnnc1 34a_100015204005_100011218427 [0,1,0,0,0,0|2,0,0]=3 3464 B11R1.91 CC(O)COc1cncnc1 7a_100000754086_100011218427 [0,1,0,0,0,0|2,0,0]=3 3465 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [0,1,0,0,0,0|0,1,0]=2 3466 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [0,1,0,0,0,0|0,1,0]=2 3467 B11R1.91 CC(O)CSc1ccccn1 62a_100011216584_100011218427 [0,1,0,0,0,0|1,1,0]=3 3468 B11R1.91 CC(O)CSc1ccccn1 62a_100011218427_100011216584 [0,1,0,0,0,0|1,1,0]=3 3469 B11R1.91 CC(O)CSc1cccnc1 62a_100000210063_100011218427 [0,1,0,0,0,0|1,1,0]=3 3470 B11R1.91 CC(O)CSc1cccnc1 62a_100011218427_100000210063 [0,1,0,0,0,0|1,1,0]=3 3471 B11R1.91 CC(O)CSc1cccnn1 62a_100011218427_100016991348 [0,1,0,0,0,0|2,1,0]=4 3472 B11R1.91 CC(O)CSc1cccnn1 62a_100016991348_100011218427 [0,1,0,0,0,0|2,1,0]=4 3473 B11R1.91 CC(O)CSc1ccncc1 62a_100000728582_100011218427 [0,1,0,0,0,0|1,1,0]=3 3474 B11R1.91 CC(O)CSc1ccncc1 62a_100011218427_100000728582 [0,1,0,0,0,0|1,1,0]=3 3475 B11R1.91 CC(O)CSc1ccncn1 62a_100000703185_100011218427 [0,1,0,0,0,0|2,1,0]=4 3476 B11R1.91 CC(O)CSc1ccncn1 62a_100011218427_100000703185 [0,1,0,0,0,0|2,1,0]=4 3477 B11R1.91 CC(O)CSc1ccnnc1 62a_100000732662_100011218427 [0,1,0,0,0,0|2,1,0]=4 3478 B11R1.91 CC(O)CSc1ccnnc1 62a_100011218427_100000732662 [0,1,0,0,0,0|2,1,0]=4 3479 B11R1.91 CC(O)CSc1cnccn1 62a_100000211759_100011218427 [0,1,0,0,0,0|2,1,0]=4 3480 B11R1.91 CC(O)CSc1cnccn1 62a_100011218427_100000211759 [0,1,0,0,0,0|2,1,0]=4 3481 B11R1.91 CC(O)CSc1cncnc1 62a_100011206942_100011218427 [0,1,0,0,0,0|2,1,0]=4 3482 B11R1.91 CC(O)CSc1cncnc1 62a_100011218427_100011206942 [0,1,0,0,0,0|2,1,0]=4 3483 B11R1.91 CC(O)CSc1ncccn1 62a_100000211032_100011218427 [0,1,0,0,0,0|2,1,0]=4 3484 B11R1.91 CC(O)CSc1ncccn1 62a_100011218427_100000211032 [0,1,0,0,0,0|2,1,0]=4 3485 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [0,1,0,0,0,0|3,0,0]=4 3486 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [0,1,0,0,0,0|3,0,0]=4 3487 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [0,1,0,0,0,0|3,0,0]=4 3488 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [0,1,0,0,0,0|3,0,0]=4 3489 B11R1.91 CN(C)CSc1ccccc1 2230a_100102631434_100011218342 [0,1,0,0,0,0|2,1,0]=4 3490 B11R1.91 CN(C)CSc1ccccc1 269982a_100102631434_100011218342 [0,1,0,0,0,0|2,1,0]=4 3491 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [0,1,0,0,0,0|3,0,0]=4 3492 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [0,1,0,0,0,0|3,0,0]=4 3493 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [0,1,0,0,0,0|1,0,0]=2 3494 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [0,1,0,0,0,0|0,0,0]=1 3495 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [0,1,0,0,0,0|0,0,0]=1 3496 B11R1.91 C[C@@H](O)COc1cccnc1 34a_100000210849_100009817552 [0,1,0,0,0,0|1,0,0]=2 3497 B11R1.91 C[C@@H](O)COc1cccnc1 7a_100000210849_100009817552 [0,1,0,0,0,0|1,0,0]=2 3498 B11R1.91 C[C@@H](O)COc1ccncc1 34a_100000212176_100009817552 [0,1,0,0,0,0|1,0,0]=2 3499 B11R1.91 C[C@@H](O)COc1ccnnc1 34a_100015204005_100009817552 [0,1,0,0,0,0|2,0,0]=3 3500 B11R1.91 C[C@@H](O)COc1cncnc1 7a_100000754086_100009817552 [0,1,0,0,0,0|2,0,0]=3 3501 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [0,1,0,0,0,0|0,1,0]=2 3502 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [0,1,0,0,0,0|0,1,0]=2 3503 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100009817552_100011216584 [0,1,0,0,0,0|1,1,0]=3 3504 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100011216584_100009817552 [0,1,0,0,0,0|1,1,0]=3 3505 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100000210063_100009817552 [0,1,0,0,0,0|1,1,0]=3 3506 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100009817552_100000210063 [0,1,0,0,0,0|1,1,0]=3 3507 B11R1.91 C[C@@H](O)CSc1cccnn1 62a_100009817552_100016991348 [0,1,0,0,0,0|2,1,0]=4 3508 B11R1.91 C[C@@H](O)CSc1cccnn1 62a_100016991348_100009817552 [0,1,0,0,0,0|2,1,0]=4 3509 B11R1.91 C[C@@H](O)CSc1ccncc1 62a_100000728582_100009817552 [0,1,0,0,0,0|1,1,0]=3 3510 B11R1.91 C[C@@H](O)CSc1ccncc1 62a_100009817552_100000728582 [0,1,0,0,0,0|1,1,0]=3 3511 B11R1.91 C[C@@H](O)CSc1ccncn1 62a_100000703185_100009817552 [0,1,0,0,0,0|2,1,0]=4 3512 B11R1.91 C[C@@H](O)CSc1ccncn1 62a_100009817552_100000703185 [0,1,0,0,0,0|2,1,0]=4 3513 B11R1.91 C[C@@H](O)CSc1ccnnc1 62a_100000732662_100009817552 [0,1,0,0,0,0|2,1,0]=4 3514 B11R1.91 C[C@@H](O)CSc1ccnnc1 62a_100009817552_100000732662 [0,1,0,0,0,0|2,1,0]=4 3515 B11R1.91 C[C@@H](O)CSc1cnccn1 62a_100000211759_100009817552 [0,1,0,0,0,0|2,1,0]=4 3516 B11R1.91 C[C@@H](O)CSc1cnccn1 62a_100009817552_100000211759 [0,1,0,0,0,0|2,1,0]=4 3517 B11R1.91 C[C@@H](O)CSc1cncnc1 62a_100009817552_100011206942 [0,1,0,0,0,0|2,1,0]=4 3518 B11R1.91 C[C@@H](O)CSc1cncnc1 62a_100011206942_100009817552 [0,1,0,0,0,0|2,1,0]=4 3519 B11R1.91 C[C@@H](O)CSc1ncccn1 62a_100000211032_100009817552 [0,1,0,0,0,0|2,1,0]=4 3520 B11R1.91 C[C@@H](O)CSc1ncccn1 62a_100009817552_100000211032 [0,1,0,0,0,0|2,1,0]=4 3521 B11R1.91 FC(F)CNc1ccccc1 34a_100000106764_100011934356 [0,1,0,0,0,0|2,0,0]=3 3522 B11R1.91 FC(F)COc1ccccc1 34a_100000210340_100011934356 [0,1,0,0,0,0|1,0,0]=2 3523 B11R1.91 FC(F)COc1ccccc1 7a_100000210340_100011934356 [0,1,0,0,0,0|1,0,0]=2 3524 B11R1.91 FC(F)COc1cccnc1 34a_100000210849_100011934356 [0,1,0,0,0,0|2,0,0]=3 3525 B11R1.91 FC(F)COc1cccnc1 7a_100000210849_100011934356 [0,1,0,0,0,0|2,0,0]=3 3526 B11R1.91 FC(F)COc1ccncc1 34a_100000212176_100011934356 [0,1,0,0,0,0|2,0,0]=3 3527 B11R1.91 FC(F)COc1ccnnc1 34a_100015204005_100011934356 [0,1,0,0,0,0|3,0,0]=4 3528 B11R1.91 FC(F)COc1cncnc1 7a_100000754086_100011934356 [0,1,0,0,0,0|3,0,0]=4 3529 B11R1.91 FC(F)CSc1ccccc1 62a_100000719477_100011934356 [0,1,0,0,0,0|1,1,0]=3 3530 B11R1.91 FC(F)CSc1ccccc1 62a_100011934356_100000041952 [0,1,0,0,0,0|1,1,0]=3 3531 B11R1.91 FC(F)CSc1ccccn1 62a_100011216584_100011934356 [0,1,0,0,0,0|2,1,0]=4 3532 B11R1.91 FC(F)CSc1ccccn1 62a_100011934356_100011216584 [0,1,0,0,0,0|2,1,0]=4 3533 B11R1.91 FC(F)CSc1cccnc1 62a_100000210063_100011934356 [0,1,0,0,0,0|2,1,0]=4 3534 B11R1.91 FC(F)CSc1cccnc1 62a_100011934356_100000210063 [0,1,0,0,0,0|2,1,0]=4 3535 B11R1.91 FC(F)CSc1ccncc1 62a_100000728582_100011934356 [0,1,0,0,0,0|2,1,0]=4 3536 B11R1.91 FC(F)CSc1ccncc1 62a_100011934356_100000728582 [0,1,0,0,0,0|2,1,0]=4 3537 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [0,1,0,0,0,0|1,0,2]=4 3538 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [0,1,0,0,0,0|0,0,2]=3 3539 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [0,1,0,0,0,0|0,0,2]=3 3540 B11R1.91 NC(=O)COc1cccnc1 34a_100000210849_100000187820 [0,1,0,0,0,0|1,0,2]=4 3541 B11R1.91 NC(=O)COc1cccnc1 7a_100000210849_100000187820 [0,1,0,0,0,0|1,0,2]=4 3542 B11R1.91 NC(=O)COc1ccncc1 34a_100000212176_100000187820 [0,1,0,0,0,0|1,0,2]=4 3543 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [0,1,0,0,0,0|0,1,2]=4 3544 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [0,1,0,0,0,0|0,1,2]=4 3545 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [0,1,0,0,0,0|1,0,2]=4 3546 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [0,1,0,0,0,0|0,0,2]=3 3547 B11R1.91 O=C([O-])COc1cccnc1 34a_100000210849_100020667443 [0,1,0,0,0,0|1,0,2]=4 3548 B11R1.91 O=C([O-])COc1ccncc1 34a_100000212176_100020667443 [0,1,0,0,0,0|1,0,2]=4 3549 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [0,1,0,0,0,0|0,1,2]=4 3550 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [0,1,0,0,0,0|0,1,2]=4 3551 B11R1.91 O=[N+]([O-])CNc1ccccc1 34a_100000106764_100000761209 [0,1,0,0,0,0|2,0,1]=4 3552 B11R1.91 O=[N+]([O-])COc1ccccc1 34a_100000210340_100000761209 [0,1,0,0,0,0|1,0,1]=3 3553 B11R1.91 O=[N+]([O-])COc1cccnc1 34a_100000210849_100000761209 [0,1,0,0,0,0|2,0,1]=4 3554 B11R1.91 O=[N+]([O-])COc1ccncc1 34a_100000212176_100000761209 [0,1,0,0,0,0|2,0,1]=4 3555 B11R1.91 O=[N+]([O-])CSc1ccccc1 62a_100000719477_100000761209 [0,1,0,0,0,0|1,1,1]=4 3556 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,1,0,0,0,0|1,0,2]=4 3557 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,1,0,0,0,0|0,0,2]=3 3558 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [0,1,0,0,0,0|1,0,2]=4 3559 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [0,1,0,0,0,0|1,0,2]=4 3560 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,1,0,0,0,0|0,1,2]=4 3561 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [0,0,1,0,0,0|3,0,0]=4 3562 B9R0.18 C=CC=CC(=O)CCCF 1458a_100016291481_100011934791 [0,0,1,0,0,0|3,0,0]=4 3563 B9R0.18 C=CC=CC(=O)CCCO 1458a_100016291481_100011215043 [0,0,1,0,0,0|2,0,0]=3 3564 B9R0.18 C=CC=CC(=O)NCCC 1626a_100020643023_100016291481 [0,0,1,0,0,0|3,0,0]=4 3565 B9R0.18 C=CC=CC(=O)NCCF 1626a_100000724931_100016291481 [0,0,1,0,0,0|3,0,0]=4 3566 B9R0.40 C=CCC(C=C)OCCC 34a_100000038011_100000210303 [0,0,1,0,0,0|1,0,2]=4 3567 B9R0.40 C=CCC(C=C)OCCC 7a_100000038011_100000210303 [0,0,1,0,0,0|1,0,2]=4 3568 B9R0.40 C=CCC(C=C)OCCF 34a_100000038011_100011217306 [0,0,1,0,0,0|1,0,2]=4 3569 B9R0.40 C=CCC(C=C)OCCF 7a_100000038011_100011217306 [0,0,1,0,0,0|1,0,2]=4 3570 B9R0.40 C=CCC(C=C)OCCO 34a_100000038011_100000211926 [0,0,1,0,0,0|0,0,2]=3 3571 B9R0.40 C=CCC(C=C)OCCO 7a_100000038011_100000211926 [0,0,1,0,0,0|0,0,2]=3 3572 B9R0.45 C/C=C/C=C/COCCC 34a_100016283227_100000210303 [0,0,1,0,0,0|1,0,2]=4 3573 B9R0.45 C/C=C/C=C/COCCF 34a_100016283227_100011217306 [0,0,1,0,0,0|1,0,2]=4 3574 B9R0.45 C/C=C/C=C/COCCO 34a_100016283227_100000211926 [0,0,1,0,0,0|0,0,2]=3 3575 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [0,0,0,1,0,0|0,0,2]=3 3576 B11R2.1 Oc1coc2c1nccc2 271570a_203496583355_100009889148 [0,0,0,1,0,0|1,0,2]=4 3577 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [0,0,0,1,0,0|0,1,2]=4 3578 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [0,0,0,1,0,0|2,0,1]=4 3579 B11R2.238 c1cc(ccn1)OC2CC2 34a_100000212176_100000211595 [0,0,0,1,0,0|2,0,0]=3 3580 B11R2.238 c1cc(ccn1)SC2CC2 62a_100000728582_100000211595 [0,0,0,1,0,0|2,1,0]=4 3581 B11R2.238 c1cc(cnn1)OC2CC2 34a_100015204005_100000211595 [0,0,0,1,0,0|3,0,0]=4 3582 B11R2.238 c1ccc(cc1)NC2CC2 34a_100000106764_100000211595 [0,0,0,1,0,0|2,0,0]=3 3583 B11R2.238 c1ccc(cc1)OC2CC2 34a_100000210340_100000211595 [0,0,0,1,0,0|1,0,0]=2 3584 B11R2.238 c1ccc(cc1)SC2CC2 62a_100000719477_100000211595 [0,0,0,1,0,0|1,1,0]=3 3585 B11R2.238 c1ccc(nc1)SC2CC2 62a_100011216584_100000211595 [0,0,0,1,0,0|2,1,0]=4 3586 B11R2.238 c1cncc(c1)OC2CC2 34a_100000210849_100000211595 [0,0,0,1,0,0|2,0,0]=3 3587 B11R2.238 c1cncc(c1)SC2CC2 62a_100000210063_100000211595 [0,0,0,1,0,0|2,1,0]=4 3588 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [0,0,0,1,0,0|3,0,0]=4 3589 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [0,0,0,1,0,0|3,0,0]=4 3590 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [0,0,0,1,0,0|3,0,0]=4 3591 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [0,0,0,1,0,0|3,0,0]=4 3592 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [0,0,0,1,0,0|3,0,0]=4 3593 B9R1.12 C#CCOc1ccsc1 34a_100000106738_100000184674 [0,0,0,0,1,0|2,0,1]=4 3594 B9R1.12 C#CCOc1ccsc1 7a_100000106738_100000038162 [0,0,0,0,1,0|2,0,1]=4 3595 B9R1.12 C=CCOc1ccsc1 34a_100000106738_100015514636 [0,0,0,0,1,0|2,0,1]=4 3596 B9R1.12 C=CCOc1ccsc1 7a_100000106738_100015514636 [0,0,0,0,1,0|2,0,1]=4 3597 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [0,0,0,0,1,0|3,0,0]=4 3598 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [0,0,0,0,1,0|3,0,0]=4 3599 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [0,0,0,0,1,0|3,0,0]=4 3600 B9R1.12 CCCCc1ccsc1 271570a_100020621405_100000738268 [0,0,0,0,1,0|3,0,0]=4 3601 B9R1.12 CCCOc1ccsc1 34a_100000106738_100000210303 [0,0,0,0,1,0|2,0,0]=3 3602 B9R1.12 CCCOc1ccsc1 7a_100000106738_100000210303 [0,0,0,0,1,0|2,0,0]=3 3603 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [0,0,0,0,1,0|2,1,0]=4 3604 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [0,0,0,0,1,0|2,1,0]=4 3605 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [0,0,0,0,1,0|2,1,0]=4 3606 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [0,0,0,0,1,0|2,1,0]=4 3607 B9R1.12 CCCSc1ccoc1 62a_100000210303_100011215275 [0,0,0,0,1,0|2,1,0]=4 3608 B9R1.12 CCCSc1ccoc1 62a_100011215275_100000210303 [0,0,0,0,1,0|2,1,0]=4 3609 B9R1.12 CCCSc1ccsc1 62a_100000210303_100000738268 [0,0,0,0,1,0|2,1,0]=4 3610 B9R1.12 CCCSc1ccsc1 62a_100000738268_100000210303 [0,0,0,0,1,0|2,1,0]=4 3611 B9R1.12 CSCOc1ccsc1 34a_100000106738_100011218213 [0,0,0,0,1,0|3,0,0]=4 3612 B9R1.12 FCCOc1ccsc1 34a_100000106738_100011217306 [0,0,0,0,1,0|2,0,0]=3 3613 B9R1.12 FCCOc1ccsc1 7a_100000106738_100011217306 [0,0,0,0,1,0|2,0,0]=3 3614 B9R1.12 FCCSc1ccco1 62a_100009814098_100011217306 [0,0,0,0,1,0|2,1,0]=4 3615 B9R1.12 FCCSc1ccco1 62a_100011217306_100009814098 [0,0,0,0,1,0|2,1,0]=4 3616 B9R1.12 FCCSc1cccs1 62a_100011215356_100011217306 [0,0,0,0,1,0|2,1,0]=4 3617 B9R1.12 FCCSc1cccs1 62a_100011217306_100011215356 [0,0,0,0,1,0|2,1,0]=4 3618 B9R1.12 FCCSc1ccoc1 62a_100011215275_100011217306 [0,0,0,0,1,0|2,1,0]=4 3619 B9R1.12 FCCSc1ccoc1 62a_100011217306_100011215275 [0,0,0,0,1,0|2,1,0]=4 3620 B9R1.12 FCCSc1ccsc1 62a_100000738268_100011217306 [0,0,0,0,1,0|2,1,0]=4 3621 B9R1.12 FCCSc1ccsc1 62a_100011217306_100000738268 [0,0,0,0,1,0|2,1,0]=4 3622 B9R1.12 N#CCOc1ccsc1 7a_100000106738_100011215382 [0,0,0,0,1,0|2,0,1]=4 3623 B9R1.12 O=CCOc1ccsc1 34a_100000106738_200009817547 [0,0,0,0,1,0|1,0,2]=4 3624 B9R1.12 O=CCOc1ccsc1 7a_100000106738_200015260668 [0,0,0,0,1,0|1,0,2]=4 3625 B9R1.12 OCCOc1ccsc1 34a_100000106738_100000211926 [0,0,0,0,1,0|1,0,0]=2 3626 B9R1.12 OCCOc1ccsc1 7a_100000106738_100000211926 [0,0,0,0,1,0|1,0,0]=2 3627 B9R1.12 OCCSc1c[nH]cn1 62a_100000211926_100000756875 [0,0,0,0,1,0|2,1,0]=4 3628 B9R1.12 OCCSc1c[nH]cn1 62a_100000756875_100000211926 [0,0,0,0,1,0|2,1,0]=4 3629 B9R1.12 OCCSc1cc[nH]n1 62a_100000062575_100000211926 [0,0,0,0,1,0|2,1,0]=4 3630 B9R1.12 OCCSc1cc[nH]n1 62a_100000211926_100000062575 [0,0,0,0,1,0|2,1,0]=4 3631 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [0,0,0,0,1,0|1,1,0]=3 3632 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [0,0,0,0,1,0|1,1,0]=3 3633 B9R1.12 OCCSc1cccs1 62a_100000211926_100011215356 [0,0,0,0,1,0|1,1,0]=3 3634 B9R1.12 OCCSc1cccs1 62a_100011215356_100000211926 [0,0,0,0,1,0|1,1,0]=3 3635 B9R1.12 OCCSc1ccoc1 62a_100000211926_100011215275 [0,0,0,0,1,0|1,1,0]=3 3636 B9R1.12 OCCSc1ccoc1 62a_100011215275_100000211926 [0,0,0,0,1,0|1,1,0]=3 3637 B9R1.12 OCCSc1ccon1 62a_100000211926_100009818083 [0,0,0,0,1,0|2,1,0]=4 3638 B9R1.12 OCCSc1ccon1 62a_100009818083_100000211926 [0,0,0,0,1,0|2,1,0]=4 3639 B9R1.12 OCCSc1ccsc1 62a_100000211926_100000738268 [0,0,0,0,1,0|1,1,0]=3 3640 B9R1.12 OCCSc1ccsc1 62a_100000738268_100000211926 [0,0,0,0,1,0|1,1,0]=3 3641 B9R1.12 OCCSc1ccsn1 62a_100000211926_100009818082 [0,0,0,0,1,0|2,1,0]=4 3642 B9R1.12 OCCSc1ccsn1 62a_100009818082_100000211926 [0,0,0,0,1,0|2,1,0]=4 3643 B9R1.12 OCCSc1cn[nH]c1 62a_100000211926_100000238712 [0,0,0,0,1,0|2,1,0]=4 3644 B9R1.12 OCCSc1cn[nH]c1 62a_100000238712_100000211926 [0,0,0,0,1,0|2,1,0]=4 3645 B9R1.12 OCCSc1cnco1 62a_100000211926_100020591547 [0,0,0,0,1,0|2,1,0]=4 3646 B9R1.12 OCCSc1cnco1 62a_100020591547_100000211926 [0,0,0,0,1,0|2,1,0]=4 3647 B9R1.12 OCCSc1cncs1 62a_100000211926_100011934649 [0,0,0,0,1,0|2,1,0]=4 3648 B9R1.12 OCCSc1cncs1 62a_100011934649_100000211926 [0,0,0,0,1,0|2,1,0]=4 3649 B9R1.12 OCCSc1cnoc1 62a_100000211926_100009815712 [0,0,0,0,1,0|2,1,0]=4 3650 B9R1.12 OCCSc1cnoc1 62a_100009815712_100000211926 [0,0,0,0,1,0|2,1,0]=4 3651 B9R1.12 OCCSc1cnsc1 62a_100000211926_100009815736 [0,0,0,0,1,0|2,1,0]=4 3652 B9R1.12 OCCSc1cnsc1 62a_100009815736_100000211926 [0,0,0,0,1,0|2,1,0]=4 3653 B9R1.12 OCCSc1cscn1 62a_100000211926_100000751502 [0,0,0,0,1,0|2,1,0]=4 3654 B9R1.12 OCCSc1cscn1 62a_100000751502_100000211926 [0,0,0,0,1,0|2,1,0]=4 3655 B9R1.12 OCCSc1ncc[nH]1 62a_100000211926_100025796157 [0,0,0,0,1,0|2,1,0]=4 3656 B9R1.12 OCCSc1ncc[nH]1 62a_100025796157_100000211926 [0,0,0,0,1,0|2,1,0]=4 3657 B9R1.12 OCCSc1ncco1 62a_100000211926_100011787736 [0,0,0,0,1,0|2,1,0]=4 3658 B9R1.12 OCCSc1ncco1 62a_100011787736_100000211926 [0,0,0,0,1,0|2,1,0]=4 3659 B9R1.12 OCCSc1nccs1 62a_100000211926_100000211983 [0,0,0,0,1,0|2,1,0]=4 3660 B9R1.12 OCCSc1nccs1 62a_100000211983_100000211926 [0,0,0,0,1,0|2,1,0]=4 3661 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [1,0,1,0,0,0|2,0,0]=4 3662 B8R0.1 C=CC=CC(=O)CCF 1458a_100016291481_100011217306 [1,0,1,0,0,0|2,0,0]=4 3663 B8R0.1 C=CC=CC(=O)CCO 1458a_100016291481_100000211926 [1,0,1,0,0,0|1,0,0]=3 3664 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [1,0,1,0,0,0|0,0,2]=4 3665 B8R0.11 C=CC(C=C)OCCC 34a_100000033096_100000210303 [1,0,1,0,0,0|1,0,1]=4 3666 B8R0.11 C=CC(C=C)OCCF 34a_100000033096_100011217306 [1,0,1,0,0,0|1,0,1]=4 3667 B8R0.11 C=CC(C=C)OCCO 34a_100000033096_100000211926 [1,0,1,0,0,0|0,0,1]=3 3668 B8R0.22 C=CCC(C=C)OCC 34a_100000038011_100000210202 [1,0,1,0,0,0|0,0,2]=4 3669 B8R0.22 C=CCC(C=C)OCC 7a_100000038011_100000210202 [1,0,1,0,0,0|0,0,2]=4 3670 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|0,0,2]=4 3671 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|1,0,0]=3 3672 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|0,0,0]=2 3673 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|0,0,0]=2 3674 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [2,0,0,0,0,0|1,0,0]=3 3675 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [2,0,0,0,0,0|1,0,0]=3 3676 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [2,0,0,0,0,0|1,0,0]=3 3677 B8R1.2 COc1ccnnc1 34a_100015204005_200000210301 [2,0,0,0,0,0|2,0,0]=4 3678 B8R1.2 COc1cncnc1 7a_100000754086_200000210301 [2,0,0,0,0,0|2,0,0]=4 3679 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|0,1,0]=3 3680 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|0,1,0]=3 3681 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [2,0,0,0,0,0|1,1,0]=4 3682 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [2,0,0,0,0,0|1,1,0]=4 3683 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [2,0,0,0,0,0|1,1,0]=4 3684 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [2,0,0,0,0,0|1,1,0]=4 3685 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [2,0,0,0,0,0|1,1,0]=4 3686 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [2,0,0,0,0,0|1,1,0]=4 3687 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|1,0,0]=3 3688 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|0,0,0]=2 3689 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|0,0,0]=2 3690 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [2,0,0,0,0,0|1,0,0]=3 3691 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [2,0,0,0,0,0|1,0,0]=3 3692 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [2,0,0,0,0,0|1,0,0]=3 3693 B8R1.2 [13CH3]Oc1ccnnc1 34a_100015204005_200025704644 [2,0,0,0,0,0|2,0,0]=4 3694 B8R1.2 [13CH3]Oc1cncnc1 7a_100000754086_200025704644 [2,0,0,0,0,0|2,0,0]=4 3695 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|0,1,0]=3 3696 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|0,1,0]=3 3697 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [2,0,0,0,0,0|1,1,0]=4 3698 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [2,0,0,0,0,0|1,1,0]=4 3699 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [2,0,0,0,0,0|1,1,0]=4 3700 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [2,0,0,0,0,0|1,1,0]=4 3701 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [2,0,0,0,0,0|1,1,0]=4 3702 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [2,0,0,0,0,0|1,1,0]=4 3703 B10R0.18 C=CC=CC(=O)C[C@@H](C)CO 1458a_100016291481_100000059175 [0,1,1,0,0,0|2,0,0]=4 3704 B10R0.19 C=CC=CC(=O)C(C)CCO 1458a_100016291481_100009893172 [0,1,1,0,0,0|2,0,0]=4 3705 B10R0.78 C=CC=CC(=O)CCC(C)O 1458a_100016291481_100012276601 [0,1,1,0,0,0|2,0,0]=4 3706 B10R0.91 C/C=C/C=CC(=O)CCCO 1458a_100000185730_100011215043 [0,1,1,0,0,0|2,0,0]=4 3707 B10R0.91 C/C=C/C=CC(=O)NCCO 240690a_100000210304_100000185730 [0,1,1,0,0,0|2,0,0]=4 3708 B10R0.91 C=CC=CC(=O)CCCCO 1458a_100016291481_100000210776 [0,1,1,0,0,0|2,0,0]=4 3709 B10R0.91 C=CC=CC(=O)CCCOC 1458a_100016291481_100000740836 [0,1,1,0,0,0|2,0,0]=4 3710 B10R0.91 C=CC=CC(=O)NCCOC 1626a_100000209980_100016291481 [0,1,1,0,0,0|2,0,0]=4 3711 B10R0.91 C=CC=CC(=O)NNCCO 22a_100000210001_100016291481 [0,1,1,0,0,0|2,0,0]=4 3712 B10R0.24 C=CCC(C=C)OCCCO 34a_100000038011_100000230001 [0,1,1,0,0,0|0,0,2]=4 3713 B10R0.24 C=CCC(C=C)OCCCO 7a_100000038011_100011215043 [0,1,1,0,0,0|0,0,2]=4 3714 B10R0.24 C=CCC(C=C)OCCOC 34a_100000038011_100011201679 [0,1,1,0,0,0|0,0,2]=4 3715 B10R0.24 C=CCC(C=C)OCCOC 7a_100000038011_100000233755 [0,1,1,0,0,0|0,0,2]=4 3716 B10R0.27 C=CCC(C=C)OCC(C)O 34a_100000038011_100011218427 [0,1,1,0,0,0|0,0,2]=4 3717 B10R0.27 C=CCC(C=C)OCC(C)O 7a_100000038011_100011218427 [0,1,1,0,0,0|0,0,2]=4 3718 B10R0.27 C=CCC(C=C)OC[C@@H](C)O 34a_100000038011_100009817552 [0,1,1,0,0,0|0,0,2]=4 3719 B10R0.27 C=CCC(C=C)OC[C@@H](C)O 7a_100000038011_100009817552 [0,1,1,0,0,0|0,0,2]=4 3720 B10R0.29 C=CCC(C=C)OC(C)CO 34a_100000038011_100012180447 [0,1,1,0,0,0|0,0,2]=4 3721 B10R0.29 C=CCC(C=C)OC(C)CO 7a_100000038011_100012180447 [0,1,1,0,0,0|0,0,2]=4 3722 B10R0.90 C=CCC(CC=C)OCCO 7a_100011215198_100000211926 [0,1,1,0,0,0|0,0,2]=4 3723 B10R0.4 C/C=C/C=C/COCC(C)O 34a_100016283227_100011218427 [0,1,1,0,0,0|0,0,2]=4 3724 B10R0.4 C/C=C/C=C/COC[C@@H](C)O 34a_100016283227_100009817552 [0,1,1,0,0,0|0,0,2]=4 3725 B10R0.71 C/C=C/C=C/COCCCO 34a_100016283227_100000230001 [0,1,1,0,0,0|0,0,2]=4 3726 B10R0.71 C/C=C/C=C/COCCOC 34a_100016283227_100011201679 [0,1,1,0,0,0|0,0,2]=4 3727 B10R0.71 CC=CC=CC=NNCCO 4a_100000210001_100000691131 [0,1,1,0,0,0|1,0,1]=4 3728 B10R0.74 C/C=C/C=C/COC(C)CO 34a_100016283227_100012180447 [0,1,1,0,0,0|0,0,2]=4 3729 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [1,1,0,0,0,0|1,0,1]=4 3730 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [1,1,0,0,0,0|1,0,1]=4 3731 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [1,1,0,0,0,0|1,0,1]=4 3732 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [1,1,0,0,0,0|1,0,1]=4 3733 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [1,1,0,0,0,0|1,0,1]=4 3734 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [1,1,0,0,0,0|1,0,1]=4 3735 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [1,1,0,0,0,0|1,0,1]=4 3736 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [1,1,0,0,0,0|1,0,0]=3 3737 B10R1.1 CCNc1ccc(cc1)Br 2230a_100000210018_100000210202 [1,1,0,0,0,0|1,0,0]=3 3738 B10R1.1 CCNc1ccc(cc1)Br 34a_100000210018_100000210202 [1,1,0,0,0,0|1,0,0]=3 3739 B10R1.1 CCNc1ccc(cc1)C 34a_100000124888_100000210202 [1,1,0,0,0,0|1,0,0]=3 3740 B10R1.1 CCNc1ccc(cc1)Cl 2230a_100000210052_100000210202 [1,1,0,0,0,0|1,0,0]=3 3741 B10R1.1 CCNc1ccc(cc1)Cl 34a_100000210052_100000210202 [1,1,0,0,0,0|1,0,0]=3 3742 B10R1.1 CCNc1ccc(cc1)F 34a_100000185862_100000210202 [1,1,0,0,0,0|1,0,0]=3 3743 B10R1.1 CCNc1ccc(cc1)I 34a_100000185761_100000210202 [1,1,0,0,0,0|1,0,0]=3 3744 B10R1.1 CCNc1ccc(cc1)O 271570a_203496583355_100000219632 [1,1,0,0,0,0|1,0,0]=3 3745 B10R1.1 CCNc1ccc(cc1)O 34a_100000185829_100000210202 [1,1,0,0,0,0|1,0,0]=3 3746 B10R1.1 CCNc1ccc(cn1)Br 27a_100015525214_100000686858 [1,1,0,0,0,0|2,0,0]=4 3747 B10R1.1 CCNc1ccc(cn1)O 271570a_203496583355_100000741496 [1,1,0,0,0,0|2,0,0]=4 3748 B10R1.1 CCOc1ccc(=O)[nH]c1 34a_100000075641_100000210202 [1,1,0,0,0,0|1,0,0]=3 3749 B10R1.1 CCOc1ccc(cc1)Br 34a_100000185759_100000210202 [1,1,0,0,0,0|0,0,0]=2 3750 B10R1.1 CCOc1ccc(cc1)Br 7a_100000185759_100000210202 [1,1,0,0,0,0|0,0,0]=2 3751 B10R1.1 CCOc1ccc(cc1)C 34a_100000210336_100000210202 [1,1,0,0,0,0|0,0,0]=2 3752 B10R1.1 CCOc1ccc(cc1)C 7a_100000210336_100000210202 [1,1,0,0,0,0|0,0,0]=2 3753 B10R1.1 CCOc1ccc(cc1)Cl 34a_100000210216_100000210202 [1,1,0,0,0,0|0,0,0]=2 3754 B10R1.1 CCOc1ccc(cc1)Cl 7a_100000210216_100000210202 [1,1,0,0,0,0|0,0,0]=2 3755 B10R1.1 CCOc1ccc(cc1)F 34a_100000210339_100000210202 [1,1,0,0,0,0|0,0,0]=2 3756 B10R1.1 CCOc1ccc(cc1)I 34a_100000212066_100000210202 [1,1,0,0,0,0|0,0,0]=2 3757 B10R1.1 CCOc1ccc(cc1)I 7a_100000212066_100000210202 [1,1,0,0,0,0|0,0,0]=2 3758 B10R1.1 CCOc1ccc(cc1)N 34a_100000185829_100000210202 [1,1,0,0,0,0|0,0,0]=2 3759 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [1,1,0,0,0,0|0,0,0]=2 3760 B10R1.1 CCOc1ccc(cn1)C 34a_100000759353_100000210202 [1,1,0,0,0,0|1,0,0]=3 3761 B10R1.1 CCOc1ccc(cn1)Cl 34a_100011215309_100000210202 [1,1,0,0,0,0|1,0,0]=3 3762 B10R1.1 CCOc1ccc(cn1)F 34a_100000742473_100000210202 [1,1,0,0,0,0|1,0,0]=3 3763 B10R1.1 CCOc1ccc(cn1)N 34a_100000729260_100000210202 [1,1,0,0,0,0|1,0,0]=3 3764 B10R1.1 CCOc1ccc(cn1)O 271570a_203496583355_100011219444 [1,1,0,0,0,0|1,0,0]=3 3765 B10R1.1 CCOc1ccc(nc1)Br 34a_100000685995_100000210202 [1,1,0,0,0,0|1,0,0]=3 3766 B10R1.1 CCOc1ccc(nc1)Br 7a_100000685995_100000210202 [1,1,0,0,0,0|1,0,0]=3 3767 B10R1.1 CCOc1ccc(nc1)C 34a_100000745506_100000210202 [1,1,0,0,0,0|1,0,0]=3 3768 B10R1.1 CCOc1ccc(nc1)C 7a_100000745506_100000210202 [1,1,0,0,0,0|1,0,0]=3 3769 B10R1.1 CCOc1ccc(nc1)Cl 34a_100000744096_100000210202 [1,1,0,0,0,0|1,0,0]=3 3770 B10R1.1 CCOc1ccc(nc1)Cl 7a_100000744096_100000210202 [1,1,0,0,0,0|1,0,0]=3 3771 B10R1.1 CCOc1ccc(nc1)F 34a_100000688820_100000210202 [1,1,0,0,0,0|1,0,0]=3 3772 B10R1.1 CCOc1ccc(nc1)F 7a_100000688820_100000210202 [1,1,0,0,0,0|1,0,0]=3 3773 B10R1.1 CCOc1ccc(nc1)I 34a_100000687607_100000210202 [1,1,0,0,0,0|1,0,0]=3 3774 B10R1.1 CCOc1ccc(nc1)I 7a_100000687607_100000210202 [1,1,0,0,0,0|1,0,0]=3 3775 B10R1.1 CCOc1ccc(nc1)N 34a_100015188713_100000210202 [1,1,0,0,0,0|1,0,0]=3 3776 B10R1.1 CCOc1ccc(nc1)N 7a_100015188713_100000210202 [1,1,0,0,0,0|1,0,0]=3 3777 B10R1.1 CCOc1ccc(nc1)O 271570a_203496583355_100000753957 [1,1,0,0,0,0|1,0,0]=3 3778 B10R1.1 CCOc1ccc(nn1)O 271570a_203496583355_100000757289 [1,1,0,0,0,0|2,0,0]=4 3779 B10R1.1 CCOc1cnc(cn1)Br 34a_100011934580_100000210202 [1,1,0,0,0,0|2,0,0]=4 3780 B10R1.1 CCOc1cnc(cn1)Cl 34a_100015839800_100000210202 [1,1,0,0,0,0|2,0,0]=4 3781 B10R1.1 CCOc1cnc(cn1)O 271570a_203496583355_200012356188 [1,1,0,0,0,0|2,0,0]=4 3782 B10R1.1 CCOc1cnc(nc1)Br 34a_100000730009_100000210202 [1,1,0,0,0,0|2,0,0]=4 3783 B10R1.1 CCOc1cnc(nc1)Br 7a_100000730009_100000210202 [1,1,0,0,0,0|2,0,0]=4 3784 B10R1.1 CCOc1cnc(nc1)C 34a_100000062939_100000210202 [1,1,0,0,0,0|2,0,0]=4 3785 B10R1.1 CCOc1cnc(nc1)C 7a_100000062939_100000210202 [1,1,0,0,0,0|2,0,0]=4 3786 B10R1.1 CCOc1cnc(nc1)Cl 34a_100000092845_100000210202 [1,1,0,0,0,0|2,0,0]=4 3787 B10R1.1 CCOc1cnc(nc1)Cl 7a_100000092845_100000210202 [1,1,0,0,0,0|2,0,0]=4 3788 B10R1.1 CCOc1cnc(nc1)F 34a_200009874573_100000210202 [1,1,0,0,0,0|2,0,0]=4 3789 B10R1.1 CCOc1cnc(nc1)F 7a_200009874573_100000210202 [1,1,0,0,0,0|2,0,0]=4 3790 B10R1.1 CCOc1cnc(nc1)N 34a_100000087137_100000210202 [1,1,0,0,0,0|2,0,0]=4 3791 B10R1.1 CCOc1cnc(nc1)N 7a_100000087137_100000210202 [1,1,0,0,0,0|2,0,0]=4 3792 B10R1.1 CCOc1cnc(nc1)O 271570a_203496583355_100000099823 [1,1,0,0,0,0|2,0,0]=4 3793 B10R1.1 CCOc1ncc(cn1)F 34a_100011934040_100000210202 [1,1,0,0,0,0|2,0,0]=4 3794 B10R1.1 CCOc1ncc(cn1)O 271570a_203496583355_100011934766 [1,1,0,0,0,0|2,0,0]=4 3795 B10R1.1 CCSc1cc[n+](cc1)[O-] 62a_100000210202_100000039755 [1,1,0,0,0,0|1,1,0]=4 3796 B10R1.1 CCSc1ccc(=O)[nH]c1 62a_100000210202_100000212171 [1,1,0,0,0,0|1,1,0]=4 3797 B10R1.1 CCSc1ccc(=O)[nH]c1 62a_100000212171_100000210202 [1,1,0,0,0,0|1,1,0]=4 3798 B10R1.1 CCSc1ccc(cc1)Br 62a_100000210202_100000752885 [1,1,0,0,0,0|0,1,0]=3 3799 B10R1.1 CCSc1ccc(cc1)Br 62a_100000752885_100000210202 [1,1,0,0,0,0|0,1,0]=3 3800 B10R1.1 CCSc1ccc(cc1)C 62a_100000186775_100000210202 [1,1,0,0,0,0|0,1,0]=3 3801 B10R1.1 CCSc1ccc(cc1)C 62a_100000210202_100000186775 [1,1,0,0,0,0|0,1,0]=3 3802 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000210202_100000755918 [1,1,0,0,0,0|0,1,0]=3 3803 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000755918_100000210202 [1,1,0,0,0,0|0,1,0]=3 3804 B10R1.1 CCSc1ccc(cc1)F 62a_100000210202_100000211213 [1,1,0,0,0,0|0,1,0]=3 3805 B10R1.1 CCSc1ccc(cc1)F 62a_100000211213_100000210202 [1,1,0,0,0,0|0,1,0]=3 3806 B10R1.1 CCSc1ccc(cc1)N 62a_100000185761_100000210202 [1,1,0,0,0,0|0,1,0]=3 3807 B10R1.1 CCSc1ccc(cc1)N 62a_100000210202_100000185761 [1,1,0,0,0,0|0,1,0]=3 3808 B10R1.1 CCSc1ccc(cc1)O 271570a_203496583355_200009811893 [1,1,0,0,0,0|0,1,0]=3 3809 B10R1.1 CCSc1ccc(cc1)O 62a_100000210202_100000185759 [1,1,0,0,0,0|0,1,0]=3 3810 B10R1.1 CCSc1ccc(cn1)Br 62a_100000210202_100000686858 [1,1,0,0,0,0|1,1,0]=4 3811 B10R1.1 CCSc1ccc(cn1)Br 62a_100000686858_100000210202 [1,1,0,0,0,0|1,1,0]=4 3812 B10R1.1 CCSc1ccc(cn1)C 62a_100000210202_100000754016 [1,1,0,0,0,0|1,1,0]=4 3813 B10R1.1 CCSc1ccc(cn1)C 62a_100011192072_100000210202 [1,1,0,0,0,0|1,1,0]=4 3814 B10R1.1 CCSc1ccc(cn1)Cl 62a_100000210202_100011356976 [1,1,0,0,0,0|1,1,0]=4 3815 B10R1.1 CCSc1ccc(cn1)Cl 62a_100011356976_100000210202 [1,1,0,0,0,0|1,1,0]=4 3816 B10R1.1 CCSc1ccc(cn1)F 62a_100000210202_100000744514 [1,1,0,0,0,0|1,1,0]=4 3817 B10R1.1 CCSc1ccc(cn1)F 62a_100000744514_100000210202 [1,1,0,0,0,0|1,1,0]=4 3818 B10R1.1 CCSc1ccc(cn1)N 62a_100000210202_100000737798 [1,1,0,0,0,0|1,1,0]=4 3819 B10R1.1 CCSc1ccc(cn1)N 62a_100000737798_100000210202 [1,1,0,0,0,0|1,1,0]=4 3820 B10R1.1 CCSc1ccc(cn1)O 271570a_203496583355_100000690189 [1,1,0,0,0,0|1,1,0]=4 3821 B10R1.1 CCSc1ccc(cn1)O 62a_100000210202_100000744096 [1,1,0,0,0,0|1,1,0]=4 3822 B10R1.1 CCSc1ccc(cn1)O 62a_100000685995_100000210202 [1,1,0,0,0,0|1,1,0]=4 3823 B10R1.1 CCSc1ccc(nc1)Br 62a_100000210202_100009814638 [1,1,0,0,0,0|1,1,0]=4 3824 B10R1.1 CCSc1ccc(nc1)Br 62a_100009814638_100000210202 [1,1,0,0,0,0|1,1,0]=4 3825 B10R1.1 CCSc1ccc(nc1)C 62a_100000210202_100000751577 [1,1,0,0,0,0|1,1,0]=4 3826 B10R1.1 CCSc1ccc(nc1)C 62a_100000751577_100000210202 [1,1,0,0,0,0|1,1,0]=4 3827 B10R1.1 CCSc1ccc(nc1)Cl 62a_100000034144_100000210202 [1,1,0,0,0,0|1,1,0]=4 3828 B10R1.1 CCSc1ccc(nc1)Cl 62a_100000210202_100000034144 [1,1,0,0,0,0|1,1,0]=4 3829 B10R1.1 CCSc1ccc(nc1)F 62a_100000042367_100000210202 [1,1,0,0,0,0|1,1,0]=4 3830 B10R1.1 CCSc1ccc(nc1)F 62a_100000210202_100000042367 [1,1,0,0,0,0|1,1,0]=4 3831 B10R1.1 CCSc1ccc(nc1)N 62a_100000187370_100000210202 [1,1,0,0,0,0|1,1,0]=4 3832 B10R1.1 CCSc1ccc(nc1)N 62a_100000210202_100000187370 [1,1,0,0,0,0|1,1,0]=4 3833 B10R1.1 CNCc1ccc(cc1)Br 207a_100102657272_100000186029 [1,1,0,0,0,0|2,0,0]=4 3834 B10R1.1 CNCc1ccc(cc1)Br 2230a_100000174875_200000210301 [1,1,0,0,0,0|2,0,0]=4 3835 B10R1.1 CNCc1ccc(cc1)Br 2230a_106832991635_100011217064 [1,1,0,0,0,0|2,0,0]=4 3836 B10R1.1 CNCc1ccc(cc1)Br 26a_100102657272_100000185759 [1,1,0,0,0,0|2,0,0]=4 3837 B10R1.1 CNCc1ccc(cc1)Br 270004a_106832991635_100000186029 [1,1,0,0,0,0|2,0,0]=4 3838 B10R1.1 CNCc1ccc(cc1)Br 34a_100000174875_200000210301 [1,1,0,0,0,0|2,0,0]=4 3839 B10R1.1 CNCc1ccc(cc1)Br 34a_100102657272_100000189115 [1,1,0,0,0,0|2,0,0]=4 3840 B10R1.1 CNCc1ccc(cc1)Br 7a_106832991635_100011217064 [1,1,0,0,0,0|2,0,0]=4 3841 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [1,1,0,0,0,0|2,0,0]=4 3842 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [1,1,0,0,0,0|2,0,0]=4 3843 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [1,1,0,0,0,0|2,0,0]=4 3844 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [1,1,0,0,0,0|2,0,0]=4 3845 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [1,1,0,0,0,0|2,0,0]=4 3846 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [1,1,0,0,0,0|2,0,0]=4 3847 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [1,1,0,0,0,0|2,0,0]=4 3848 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [1,1,0,0,0,0|2,0,0]=4 3849 B10R1.1 CNCc1ccc(cc1)Cl 207a_100102657272_100000189385 [1,1,0,0,0,0|2,0,0]=4 3850 B10R1.1 CNCc1ccc(cc1)Cl 2230a_100000174871_200000210301 [1,1,0,0,0,0|2,0,0]=4 3851 B10R1.1 CNCc1ccc(cc1)Cl 2230a_106832991635_100000694040 [1,1,0,0,0,0|2,0,0]=4 3852 B10R1.1 CNCc1ccc(cc1)Cl 270004a_106832991635_100000189385 [1,1,0,0,0,0|2,0,0]=4 3853 B10R1.1 CNCc1ccc(cc1)Cl 34a_100000174871_200000210301 [1,1,0,0,0,0|2,0,0]=4 3854 B10R1.1 CNCc1ccc(cc1)Cl 34a_100102657272_100000694040 [1,1,0,0,0,0|2,0,0]=4 3855 B10R1.1 CNCc1ccc(cc1)Cl 7a_106832991635_100000187161 [1,1,0,0,0,0|2,0,0]=4 3856 B10R1.1 CNCc1ccc(cc1)F 207a_100102657272_100000210084 [1,1,0,0,0,0|2,0,0]=4 3857 B10R1.1 CNCc1ccc(cc1)F 2230a_100000174882_200000210301 [1,1,0,0,0,0|2,0,0]=4 3858 B10R1.1 CNCc1ccc(cc1)F 2230a_106832991635_100000198546 [1,1,0,0,0,0|2,0,0]=4 3859 B10R1.1 CNCc1ccc(cc1)F 270004a_106832991635_100000210084 [1,1,0,0,0,0|2,0,0]=4 3860 B10R1.1 CNCc1ccc(cc1)F 34a_100000174882_200000210301 [1,1,0,0,0,0|2,0,0]=4 3861 B10R1.1 CNCc1ccc(cc1)F 34a_100102657272_100000198546 [1,1,0,0,0,0|2,0,0]=4 3862 B10R1.1 CNCc1ccc(cc1)F 7a_106832991635_100000198546 [1,1,0,0,0,0|2,0,0]=4 3863 B10R1.1 CNCc1ccc(cc1)I 207a_100102657272_100000188517 [1,1,0,0,0,0|2,0,0]=4 3864 B10R1.1 CNCc1ccc(cc1)I 2230a_100016989417_200000210301 [1,1,0,0,0,0|2,0,0]=4 3865 B10R1.1 CNCc1ccc(cc1)I 2230a_106832991635_100000189116 [1,1,0,0,0,0|2,0,0]=4 3866 B10R1.1 CNCc1ccc(cc1)I 34a_100016989417_200000210301 [1,1,0,0,0,0|2,0,0]=4 3867 B10R1.1 CNCc1ccc(cc1)I 34a_100102657272_100000189116 [1,1,0,0,0,0|2,0,0]=4 3868 B10R1.1 CNCc1ccc(cc1)I 7a_106832991635_100000189116 [1,1,0,0,0,0|2,0,0]=4 3869 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [1,1,0,0,0,0|2,0,0]=4 3870 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [1,1,0,0,0,0|2,0,0]=4 3871 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [1,1,0,0,0,0|2,0,0]=4 3872 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [1,1,0,0,0,0|2,0,0]=4 3873 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [1,1,0,0,0,0|2,0,0]=4 3874 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [1,1,0,0,0,0|2,0,0]=4 3875 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [1,1,0,0,0,0|2,0,0]=4 3876 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [1,1,0,0,0,0|2,0,0]=4 3877 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [1,1,0,0,0,0|2,0,0]=4 3878 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [1,1,0,0,0,0|2,0,0]=4 3879 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [1,1,0,0,0,0|2,0,0]=4 3880 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [1,1,0,0,0,0|2,0,0]=4 3881 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [1,1,0,0,0,0|2,0,0]=4 3882 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [1,1,0,0,0,0|2,0,0]=4 3883 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [1,1,0,0,0,0|2,0,0]=4 3884 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [1,1,0,0,0,0|2,0,0]=4 3885 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [1,1,0,0,0,0|2,0,0]=4 3886 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [1,1,0,0,0,0|2,0,0]=4 3887 B10R1.1 CSCc1ccc(cc1)Br 62a_100000189115_200000210301 [1,1,0,0,0,0|2,0,0]=4 3888 B10R1.1 CSCc1ccc(cc1)Br 62a_200000210301_100000189115 [1,1,0,0,0,0|2,0,0]=4 3889 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [1,1,0,0,0,0|2,0,0]=4 3890 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [1,1,0,0,0,0|2,0,0]=4 3891 B10R1.1 CSCc1ccc(cc1)Cl 62a_100000187161_200000210301 [1,1,0,0,0,0|2,0,0]=4 3892 B10R1.1 CSCc1ccc(cc1)Cl 62a_200000210301_100000187161 [1,1,0,0,0,0|2,0,0]=4 3893 B10R1.1 CSCc1ccc(cc1)F 62a_100000198546_200000210301 [1,1,0,0,0,0|2,0,0]=4 3894 B10R1.1 CSCc1ccc(cc1)F 62a_200000210301_100000187164 [1,1,0,0,0,0|2,0,0]=4 3895 B10R1.1 CSCc1ccc(cc1)I 62a_100000189116_200000210301 [1,1,0,0,0,0|2,0,0]=4 3896 B10R1.1 CSCc1ccc(cc1)I 62a_200000210301_100000189116 [1,1,0,0,0,0|2,0,0]=4 3897 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [1,1,0,0,0,0|2,0,0]=4 3898 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [1,1,0,0,0,0|2,0,0]=4 3899 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [1,1,0,0,0,0|2,0,0]=4 3900 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [1,1,0,0,0,0|2,0,0]=4 3901 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [1,1,0,0,0,0|2,0,0]=4 3902 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [1,1,0,0,0,0|2,0,0]=4 3903 B10R1.1 Cc1ccc(cc1)NCF 34a_100000124888_100015361967 [1,1,0,0,0,0|2,0,0]=4 3904 B10R1.1 Cc1ccc(cc1)OCF 34a_100000210336_100015361967 [1,1,0,0,0,0|1,0,0]=3 3905 B10R1.1 Cc1ccc(cc1)OCF 7a_100000210336_100015361967 [1,1,0,0,0,0|1,0,0]=3 3906 B10R1.1 Cc1ccc(cc1)SCF 62a_100000186775_100015361967 [1,1,0,0,0,0|1,1,0]=4 3907 B10R1.1 Cc1ccc(cc1)SCF 62a_100015361967_100000186775 [1,1,0,0,0,0|1,1,0]=4 3908 B10R1.1 Cc1ccc(cn1)OCF 34a_100000745506_100015361967 [1,1,0,0,0,0|2,0,0]=4 3909 B10R1.1 Cc1ccc(cn1)OCF 7a_100000745506_100015361967 [1,1,0,0,0,0|2,0,0]=4 3910 B10R1.1 Cc1ccc(nc1)OCF 34a_100000759353_100015361967 [1,1,0,0,0,0|2,0,0]=4 3911 B10R1.1 FCNc1ccc(cc1)Br 34a_100000210018_100015361967 [1,1,0,0,0,0|2,0,0]=4 3912 B10R1.1 FCNc1ccc(cc1)Cl 34a_100000210052_100015361967 [1,1,0,0,0,0|2,0,0]=4 3913 B10R1.1 FCNc1ccc(cc1)F 34a_100000185862_100015361967 [1,1,0,0,0,0|2,0,0]=4 3914 B10R1.1 FCNc1ccc(cc1)I 34a_100000185761_100015361967 [1,1,0,0,0,0|2,0,0]=4 3915 B10R1.1 FCOc1ccc(cc1)Br 34a_100000185759_100015361967 [1,1,0,0,0,0|1,0,0]=3 3916 B10R1.1 FCOc1ccc(cc1)Br 7a_100000185759_100015361967 [1,1,0,0,0,0|1,0,0]=3 3917 B10R1.1 FCOc1ccc(cc1)Cl 34a_100000210216_100015361967 [1,1,0,0,0,0|1,0,0]=3 3918 B10R1.1 FCOc1ccc(cc1)Cl 7a_100000210216_100015361967 [1,1,0,0,0,0|1,0,0]=3 3919 B10R1.1 FCOc1ccc(cc1)F 34a_100000210339_100015361967 [1,1,0,0,0,0|1,0,0]=3 3920 B10R1.1 FCOc1ccc(cc1)I 34a_100000212066_100015361967 [1,1,0,0,0,0|1,0,0]=3 3921 B10R1.1 FCOc1ccc(cc1)I 7a_100000212066_100015361967 [1,1,0,0,0,0|1,0,0]=3 3922 B10R1.1 FCOc1ccc(cn1)Cl 34a_100011215309_100015361967 [1,1,0,0,0,0|2,0,0]=4 3923 B10R1.1 FCOc1ccc(cn1)F 34a_100000742473_100015361967 [1,1,0,0,0,0|2,0,0]=4 3924 B10R1.1 FCOc1ccc(nc1)Br 34a_100000685995_100015361967 [1,1,0,0,0,0|2,0,0]=4 3925 B10R1.1 FCOc1ccc(nc1)Br 7a_100000685995_100015361967 [1,1,0,0,0,0|2,0,0]=4 3926 B10R1.1 FCOc1ccc(nc1)Cl 34a_100000744096_100015361967 [1,1,0,0,0,0|2,0,0]=4 3927 B10R1.1 FCOc1ccc(nc1)Cl 7a_100000744096_100015361967 [1,1,0,0,0,0|2,0,0]=4 3928 B10R1.1 FCOc1ccc(nc1)F 34a_100000688820_100015361967 [1,1,0,0,0,0|2,0,0]=4 3929 B10R1.1 FCOc1ccc(nc1)F 7a_100000688820_100015361967 [1,1,0,0,0,0|2,0,0]=4 3930 B10R1.1 FCOc1ccc(nc1)I 34a_100000687607_100015361967 [1,1,0,0,0,0|2,0,0]=4 3931 B10R1.1 FCOc1ccc(nc1)I 7a_100000687607_100015361967 [1,1,0,0,0,0|2,0,0]=4 3932 B10R1.1 FCSc1ccc(cc1)Br 62a_100000752885_100015361967 [1,1,0,0,0,0|1,1,0]=4 3933 B10R1.1 FCSc1ccc(cc1)Br 62a_100015361967_100000752885 [1,1,0,0,0,0|1,1,0]=4 3934 B10R1.1 FCSc1ccc(cc1)Cl 62a_100000755918_100015361967 [1,1,0,0,0,0|1,1,0]=4 3935 B10R1.1 FCSc1ccc(cc1)Cl 62a_100015361967_100000755918 [1,1,0,0,0,0|1,1,0]=4 3936 B10R1.1 FCSc1ccc(cc1)F 62a_100000211213_100015361967 [1,1,0,0,0,0|1,1,0]=4 3937 B10R1.1 FCSc1ccc(cc1)F 62a_100015361967_100000211213 [1,1,0,0,0,0|1,1,0]=4 3938 B10R1.1 N#CCc1ccc(cc1)O 271570a_203496583355_100011217881 [1,1,0,0,0,0|1,0,1]=4 3939 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [1,1,0,0,0,0|1,0,0]=3 3940 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [1,1,0,0,0,0|2,0,0]=4 3941 B10R1.1 Nc1ccc(cc1)OCF 34a_100000185829_100015361967 [1,1,0,0,0,0|1,0,0]=3 3942 B10R1.1 Nc1ccc(cc1)SCF 62a_100000185761_100015361967 [1,1,0,0,0,0|1,1,0]=4 3943 B10R1.1 Nc1ccc(cc1)SCF 62a_100015361967_100000185761 [1,1,0,0,0,0|1,1,0]=4 3944 B10R1.1 Nc1ccc(cn1)OCF 34a_100015188713_100015361967 [1,1,0,0,0,0|2,0,0]=4 3945 B10R1.1 Nc1ccc(cn1)OCF 7a_100015188713_100015361967 [1,1,0,0,0,0|2,0,0]=4 3946 B10R1.1 Nc1ccc(nc1)OCF 34a_100000729260_100015361967 [1,1,0,0,0,0|2,0,0]=4 3947 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [1,1,0,0,0,0|0,0,2]=4 3948 B10R1.1 O=c1ccc(c[nH]1)OCF 34a_100000075641_100015361967 [1,1,0,0,0,0|2,0,0]=4 3949 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [1,1,0,0,0,0|0,0,0]=2 3950 B10R1.1 OCCc1ccc(cn1)O 271570a_203496583355_100012357577 [1,1,0,0,0,0|1,0,0]=3 3951 B10R1.1 OCCc1ccc(nc1)O 271570a_203496583355_100009880866 [1,1,0,0,0,0|1,0,0]=3 3952 B10R1.1 Oc1ccc(cc1)NCF 34a_100000185829_100015361967 [1,1,0,0,0,0|2,0,0]=4 3953 B10R1.1 Oc1ccc(cc1)SCF 62a_100015361967_100000185759 [1,1,0,0,0,0|1,1,0]=4 3954 B10R1.1 [13CH3]NCc1ccc(cc1)Br 2230a_100000174875_200025704644 [1,1,0,0,0,0|2,0,0]=4 3955 B10R1.1 [13CH3]NCc1ccc(cc1)Br 34a_100000174875_200025704644 [1,1,0,0,0,0|2,0,0]=4 3956 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 2230a_100000174871_200025704644 [1,1,0,0,0,0|2,0,0]=4 3957 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 34a_100000174871_200025704644 [1,1,0,0,0,0|2,0,0]=4 3958 B10R1.1 [13CH3]NCc1ccc(cc1)F 2230a_100000174882_200025704644 [1,1,0,0,0,0|2,0,0]=4 3959 B10R1.1 [13CH3]NCc1ccc(cc1)F 34a_100000174882_200025704644 [1,1,0,0,0,0|2,0,0]=4 3960 B10R1.1 [13CH3]NCc1ccc(cc1)I 2230a_100016989417_200025704644 [1,1,0,0,0,0|2,0,0]=4 3961 B10R1.1 [13CH3]NCc1ccc(cc1)I 34a_100016989417_200025704644 [1,1,0,0,0,0|2,0,0]=4 3962 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [1,1,0,0,0,0|2,0,0]=4 3963 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [1,1,0,0,0,0|2,0,0]=4 3964 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [1,1,0,0,0,0|2,0,0]=4 3965 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [1,1,0,0,0,0|2,0,0]=4 3966 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [1,1,0,0,0,0|2,0,0]=4 3967 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [1,1,0,0,0,0|2,0,0]=4 3968 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [1,1,0,0,0,0|2,0,0]=4 3969 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [1,1,0,0,0,0|2,0,0]=4 3970 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [1,1,0,0,0,0|2,0,0]=4 3971 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_100000189115_200025704644 [1,1,0,0,0,0|2,0,0]=4 3972 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_200025704644_100000189115 [1,1,0,0,0,0|2,0,0]=4 3973 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_100000187161_200025704644 [1,1,0,0,0,0|2,0,0]=4 3974 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_200025704644_100000187161 [1,1,0,0,0,0|2,0,0]=4 3975 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_100000198546_200025704644 [1,1,0,0,0,0|2,0,0]=4 3976 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_200025704644_100000187164 [1,1,0,0,0,0|2,0,0]=4 3977 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_100000189116_200025704644 [1,1,0,0,0,0|2,0,0]=4 3978 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_200025704644_100000189116 [1,1,0,0,0,0|2,0,0]=4 3979 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,1,0,0,0,0|1,0,1]=4 3980 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,1,0,0,0,0|1,0,1]=4 3981 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,1,0,0,0,0|1,0,1]=4 3982 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,1,0,0,0,0|1,0,1]=4 3983 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,1,0,0,0,0|1,0,1]=4 3984 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,1,0,0,0,0|1,0,1]=4 3985 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,1,0,0,0,0|1,0,1]=4 3986 B10R1.4 CCNc1ccccc1Br 34a_100000210017_100000210202 [1,1,0,0,0,0|1,0,0]=3 3987 B10R1.4 CCNc1ccccc1C 34a_100015192222_100000210202 [1,1,0,0,0,0|1,0,0]=3 3988 B10R1.4 CCNc1ccccc1Cl 34a_100000185783_100000210202 [1,1,0,0,0,0|1,0,0]=3 3989 B10R1.4 CCNc1ccccc1F 34a_100000210422_100000210202 [1,1,0,0,0,0|1,0,0]=3 3990 B10R1.4 CCNc1ccccc1I 34a_100000210053_100000210202 [1,1,0,0,0,0|1,0,0]=3 3991 B10R1.4 CCNc1ccccc1O 271570a_203496583355_114873767003 [1,1,0,0,0,0|1,0,0]=3 3992 B10R1.4 CCNc1ccccc1O 34a_100000185747_100000210202 [1,1,0,0,0,0|1,0,0]=3 3993 B10R1.4 CCNc1ccncc1Br 27a_100015525214_100000726257 [1,1,0,0,0,0|2,0,0]=4 3994 B10R1.4 CCNc1ccncc1C 27a_100015525214_100000765111 [1,1,0,0,0,0|2,0,0]=4 3995 B10R1.4 CCNc1ccncc1F 27a_100015525214_100000035921 [1,1,0,0,0,0|2,0,0]=4 3996 B10R1.4 CCNc1ncccc1Br 27a_100015525214_100000696092 [1,1,0,0,0,0|2,0,0]=4 3997 B10R1.4 CCOc1cccc[n+]1[O-] 7a_100000211761_100000210202 [1,1,0,0,0,0|1,0,0]=3 3998 B10R1.4 CCOc1ccccc1Br 34a_100000181306_100000210202 [1,1,0,0,0,0|0,0,0]=2 3999 B10R1.4 CCOc1ccccc1Br 7a_100000181306_100000210202 [1,1,0,0,0,0|0,0,0]=2 4000 B10R1.4 CCOc1ccccc1C 34a_100000210338_100000210202 [1,1,0,0,0,0|0,0,0]=2 4001 B10R1.4 CCOc1ccccc1C 7a_100000210338_100000210202 [1,1,0,0,0,0|0,0,0]=2 4002 B10R1.4 CCOc1ccccc1Cl 34a_100000210172_100000210202 [1,1,0,0,0,0|0,0,0]=2 4003 B10R1.4 CCOc1ccccc1Cl 7a_100000210172_100000210202 [1,1,0,0,0,0|0,0,0]=2 4004 B10R1.4 CCOc1ccccc1F 34a_100000210171_100000210202 [1,1,0,0,0,0|0,0,0]=2 4005 B10R1.4 CCOc1ccccc1F 7a_100000210171_100000210202 [1,1,0,0,0,0|0,0,0]=2 4006 B10R1.4 CCOc1ccccc1I 34a_100000739446_100000210202 [1,1,0,0,0,0|0,0,0]=2 4007 B10R1.4 CCOc1ccccc1I 7a_100000739446_100000210202 [1,1,0,0,0,0|0,0,0]=2 4008 B10R1.4 CCOc1ccccc1N 34a_100000185747_100000210202 [1,1,0,0,0,0|0,0,0]=2 4009 B10R1.4 CCOc1ccccc1N 7a_100000185747_100000210202 [1,1,0,0,0,0|0,0,0]=2 4010 B10R1.4 CCOc1ccccc1O 271570a_203496583355_100000230754 [1,1,0,0,0,0|0,0,0]=2 4011 B10R1.4 CCOc1cccnc1Br 34a_100000744436_100000210202 [1,1,0,0,0,0|1,0,0]=3 4012 B10R1.4 CCOc1cccnc1Br 7a_100000744436_100000210202 [1,1,0,0,0,0|1,0,0]=3 4013 B10R1.4 CCOc1cccnc1C 34a_100000745507_100000210202 [1,1,0,0,0,0|1,0,0]=3 4014 B10R1.4 CCOc1cccnc1C 7a_100000745507_100000210202 [1,1,0,0,0,0|1,0,0]=3 4015 B10R1.4 CCOc1cccnc1Cl 34a_100000757616_100000210202 [1,1,0,0,0,0|1,0,0]=3 4016 B10R1.4 CCOc1cccnc1Cl 7a_100000757616_100000210202 [1,1,0,0,0,0|1,0,0]=3 4017 B10R1.4 CCOc1cccnc1F 34a_100000061740_100000210202 [1,1,0,0,0,0|1,0,0]=3 4018 B10R1.4 CCOc1cccnc1F 7a_100000061740_100000210202 [1,1,0,0,0,0|1,0,0]=3 4019 B10R1.4 CCOc1cccnc1I 34a_100000034122_100000210202 [1,1,0,0,0,0|1,0,0]=3 4020 B10R1.4 CCOc1cccnc1I 7a_100000034122_100000210202 [1,1,0,0,0,0|1,0,0]=3 4021 B10R1.4 CCOc1cccnc1N 34a_100000211975_100000210202 [1,1,0,0,0,0|1,0,0]=3 4022 B10R1.4 CCOc1cccnc1N 7a_100000211975_100000210202 [1,1,0,0,0,0|1,0,0]=3 4023 B10R1.4 CCOc1cccnc1O 271570a_203496583355_100011597540 [1,1,0,0,0,0|1,0,0]=3 4024 B10R1.4 CCOc1cccoc1=O 34a_100000077404_100000210202 [1,1,0,0,0,0|1,0,0]=3 4025 B10R1.4 CCOc1cccoc1=O 7a_100000077404_100000210202 [1,1,0,0,0,0|1,0,0]=3 4026 B10R1.4 CCOc1ccncc1Br 34a_100011996408_100000210202 [1,1,0,0,0,0|1,0,0]=3 4027 B10R1.4 CCOc1ccncc1C 34a_100000694293_100000210202 [1,1,0,0,0,0|1,0,0]=3 4028 B10R1.4 CCOc1ccncc1Cl 34a_100011997054_100000210202 [1,1,0,0,0,0|1,0,0]=3 4029 B10R1.4 CCOc1ccncc1F 34a_200000081243_100000210202 [1,1,0,0,0,0|1,0,0]=3 4030 B10R1.4 CCOc1cnccc1C 34a_100011997053_100000210202 [1,1,0,0,0,0|1,0,0]=3 4031 B10R1.4 CCOc1cnccc1C 7a_100011997053_100000210202 [1,1,0,0,0,0|1,0,0]=3 4032 B10R1.4 CCOc1cnccc1Cl 34a_100011996695_100000210202 [1,1,0,0,0,0|1,0,0]=3 4033 B10R1.4 CCOc1cnccc1I 34a_100000050107_100000210202 [1,1,0,0,0,0|1,0,0]=3 4034 B10R1.4 CCOc1cnccc1N 34a_100000753702_100000210202 [1,1,0,0,0,0|1,0,0]=3 4035 B10R1.4 CCOc1cncnc1N 7a_100000112926_100000210202 [1,1,0,0,0,0|2,0,0]=4 4036 B10R1.4 CCOc1coccc1=O 34a_100000060831_100000210202 [1,1,0,0,0,0|1,0,0]=3 4037 B10R1.4 CCOc1ncccc1Cl 34a_100011290957_100000210202 [1,1,0,0,0,0|1,0,0]=3 4038 B10R1.4 CCOc1ncccc1F 34a_100011219419_100000210202 [1,1,0,0,0,0|1,0,0]=3 4039 B10R1.4 CCOc1ncccc1N 34a_100000746358_100000210202 [1,1,0,0,0,0|1,0,0]=3 4040 B10R1.4 CCOc1ncccc1O 271570a_203496583355_100011465154 [1,1,0,0,0,0|1,0,0]=3 4041 B10R1.4 CCOc1nccnc1C 34a_100000766352_100000210202 [1,1,0,0,0,0|2,0,0]=4 4042 B10R1.4 CCOc1nccnc1O 271570a_203496583355_200010128176 [1,1,0,0,0,0|2,0,0]=4 4043 B10R1.4 CCSc1c[nH]ccc1=O 62a_100000210202_100009998708 [1,1,0,0,0,0|1,1,0]=4 4044 B10R1.4 CCSc1c[nH]ccc1=O 62a_100009998708_100000210202 [1,1,0,0,0,0|1,1,0]=4 4045 B10R1.4 CCSc1c[nH]ccc1=S 62a_100000210202_200012280681 [1,1,0,0,0,0|1,1,0]=4 4046 B10R1.4 CCSc1c[nH]ccc1=S 62a_200012280681_100000210202 [1,1,0,0,0,0|1,1,0]=4 4047 B10R1.4 CCSc1cccc[n+]1C 62a_100000210202_100000212160 [1,1,0,0,0,0|1,1,0]=4 4048 B10R1.4 CCSc1cccc[n+]1[O-] 62a_100000210202_200000042595 [1,1,0,0,0,0|1,1,0]=4 4049 B10R1.4 CCSc1ccccc1Br 62a_100000210202_100000695589 [1,1,0,0,0,0|0,1,0]=3 4050 B10R1.4 CCSc1ccccc1Br 62a_100000695589_100000210202 [1,1,0,0,0,0|0,1,0]=3 4051 B10R1.4 CCSc1ccccc1C 62a_100000210202_100000210755 [1,1,0,0,0,0|0,1,0]=3 4052 B10R1.4 CCSc1ccccc1C 62a_100000210755_100000210202 [1,1,0,0,0,0|0,1,0]=3 4053 B10R1.4 CCSc1ccccc1Cl 62a_100000210202_100000764095 [1,1,0,0,0,0|0,1,0]=3 4054 B10R1.4 CCSc1ccccc1Cl 62a_100000764095_100000210202 [1,1,0,0,0,0|0,1,0]=3 4055 B10R1.4 CCSc1ccccc1F 62a_100000210202_100011215700 [1,1,0,0,0,0|0,1,0]=3 4056 B10R1.4 CCSc1ccccc1F 62a_100011215700_100000210202 [1,1,0,0,0,0|0,1,0]=3 4057 B10R1.4 CCSc1ccccc1N 62a_100000210017_100000210202 [1,1,0,0,0,0|0,1,0]=3 4058 B10R1.4 CCSc1ccccc1N 62a_100000210202_100000210017 [1,1,0,0,0,0|0,1,0]=3 4059 B10R1.4 CCSc1ccccc1O 271570a_203496583355_100000230856 [1,1,0,0,0,0|0,1,0]=3 4060 B10R1.4 CCSc1ccccc1O 62a_100000210202_100000739446 [1,1,0,0,0,0|0,1,0]=3 4061 B10R1.4 CCSc1ccccc1O 62a_100000739446_100000210202 [1,1,0,0,0,0|0,1,0]=3 4062 B10R1.4 CCSc1cccnc1Br 62a_100000210202_100010202626 [1,1,0,0,0,0|1,1,0]=4 4063 B10R1.4 CCSc1cccnc1Br 62a_100010202626_100000210202 [1,1,0,0,0,0|1,1,0]=4 4064 B10R1.4 CCSc1cccnc1C 62a_100000210202_100000751574 [1,1,0,0,0,0|1,1,0]=4 4065 B10R1.4 CCSc1cccnc1C 62a_100000751574_100000210202 [1,1,0,0,0,0|1,1,0]=4 4066 B10R1.4 CCSc1cccnc1Cl 62a_100000036424_100000210202 [1,1,0,0,0,0|1,1,0]=4 4067 B10R1.4 CCSc1cccnc1Cl 62a_100000210202_100000036424 [1,1,0,0,0,0|1,1,0]=4 4068 B10R1.4 CCSc1cccnc1F 62a_100000210202_100009816115 [1,1,0,0,0,0|1,1,0]=4 4069 B10R1.4 CCSc1cccnc1F 62a_100009816115_100000210202 [1,1,0,0,0,0|1,1,0]=4 4070 B10R1.4 CCSc1cccnc1N 62a_100000045569_100000210202 [1,1,0,0,0,0|1,1,0]=4 4071 B10R1.4 CCSc1cccnc1N 62a_100000210202_100000045569 [1,1,0,0,0,0|1,1,0]=4 4072 B10R1.4 CCSc1cccnc1O 62a_100000210202_100000760158 [1,1,0,0,0,0|1,1,0]=4 4073 B10R1.4 CCSc1cccnc1O 62a_100000760158_100000210202 [1,1,0,0,0,0|1,1,0]=4 4074 B10R1.4 CCSc1ccncc1Br 62a_100000210202_100000726257 [1,1,0,0,0,0|1,1,0]=4 4075 B10R1.4 CCSc1ccncc1Br 62a_100000726257_100000210202 [1,1,0,0,0,0|1,1,0]=4 4076 B10R1.4 CCSc1ccncc1C 62a_100000210202_100000765111 [1,1,0,0,0,0|1,1,0]=4 4077 B10R1.4 CCSc1ccncc1C 62a_100000765111_100000210202 [1,1,0,0,0,0|1,1,0]=4 4078 B10R1.4 CCSc1ccncc1Cl 62a_100000210202_100000708259 [1,1,0,0,0,0|1,1,0]=4 4079 B10R1.4 CCSc1ccncc1Cl 62a_100000708259_100000210202 [1,1,0,0,0,0|1,1,0]=4 4080 B10R1.4 CCSc1ccncc1F 62a_100000047030_100000210202 [1,1,0,0,0,0|1,1,0]=4 4081 B10R1.4 CCSc1ccncc1F 62a_100000210202_100000047030 [1,1,0,0,0,0|1,1,0]=4 4082 B10R1.4 CCSc1ccncc1N 62a_100000210202_100000756074 [1,1,0,0,0,0|1,1,0]=4 4083 B10R1.4 CCSc1ccncc1N 62a_100000756074_100000210202 [1,1,0,0,0,0|1,1,0]=4 4084 B10R1.4 CCSc1ccncc1O 62a_100000210202_100009817591 [1,1,0,0,0,0|1,1,0]=4 4085 B10R1.4 CCSc1ccncc1O 62a_100009817591_100000210202 [1,1,0,0,0,0|1,1,0]=4 4086 B10R1.4 CCSc1cnccc1Br 62a_100000210202_100010138639 [1,1,0,0,0,0|1,1,0]=4 4087 B10R1.4 CCSc1cnccc1Br 62a_100010138639_100000210202 [1,1,0,0,0,0|1,1,0]=4 4088 B10R1.4 CCSc1cnccc1C 62a_100000210202_100000761580 [1,1,0,0,0,0|1,1,0]=4 4089 B10R1.4 CCSc1cnccc1C 62a_100000761580_100000210202 [1,1,0,0,0,0|1,1,0]=4 4090 B10R1.4 CCSc1cnccc1Cl 62a_100000210202_100009995489 [1,1,0,0,0,0|1,1,0]=4 4091 B10R1.4 CCSc1cnccc1Cl 62a_100009995489_100000210202 [1,1,0,0,0,0|1,1,0]=4 4092 B10R1.4 CCSc1cnccc1F 62a_100000210202_100009820683 [1,1,0,0,0,0|1,1,0]=4 4093 B10R1.4 CCSc1cnccc1F 62a_100009820683_100000210202 [1,1,0,0,0,0|1,1,0]=4 4094 B10R1.4 CCSc1cnccc1N 62a_100000047001_100000210202 [1,1,0,0,0,0|1,1,0]=4 4095 B10R1.4 CCSc1cnccc1N 62a_100000210202_100000047001 [1,1,0,0,0,0|1,1,0]=4 4096 B10R1.4 CCSc1ncccc1Br 62a_100000210202_100000696092 [1,1,0,0,0,0|1,1,0]=4 4097 B10R1.4 CCSc1ncccc1Br 62a_100000696092_100000210202 [1,1,0,0,0,0|1,1,0]=4 4098 B10R1.4 CCSc1ncccc1C 62a_100000210202_100000751373 [1,1,0,0,0,0|1,1,0]=4 4099 B10R1.4 CCSc1ncccc1C 62a_100000751373_100000210202 [1,1,0,0,0,0|1,1,0]=4 4100 B10R1.4 CCSc1ncccc1Cl 62a_100000210202_100011356963 [1,1,0,0,0,0|1,1,0]=4 4101 B10R1.4 CCSc1ncccc1Cl 62a_100011356963_100000210202 [1,1,0,0,0,0|1,1,0]=4 4102 B10R1.4 CCSc1ncccc1F 62a_100000210202_100000685392 [1,1,0,0,0,0|1,1,0]=4 4103 B10R1.4 CCSc1ncccc1F 62a_100000685392_100000210202 [1,1,0,0,0,0|1,1,0]=4 4104 B10R1.4 CCSc1ncccc1N 62a_100000210202_100000688686 [1,1,0,0,0,0|1,1,0]=4 4105 B10R1.4 CCSc1ncccc1N 62a_100000688686_100000210202 [1,1,0,0,0,0|1,1,0]=4 4106 B10R1.4 CCSc1ncccc1O 62a_100000034122_100000210202 [1,1,0,0,0,0|1,1,0]=4 4107 B10R1.4 CCSc1ncccc1O 62a_100000210202_100000034122 [1,1,0,0,0,0|1,1,0]=4 4108 B10R1.4 CNCc1ccccc1Br 207a_100102657272_100000211189 [1,1,0,0,0,0|2,0,0]=4 4109 B10R1.4 CNCc1ccccc1Br 2230a_100000689332_200000210301 [1,1,0,0,0,0|2,0,0]=4 4110 B10R1.4 CNCc1ccccc1Br 2230a_106832991635_100000184730 [1,1,0,0,0,0|2,0,0]=4 4111 B10R1.4 CNCc1ccccc1Br 26a_100102657272_100000181306 [1,1,0,0,0,0|2,0,0]=4 4112 B10R1.4 CNCc1ccccc1Br 270004a_106832991635_100000211189 [1,1,0,0,0,0|2,0,0]=4 4113 B10R1.4 CNCc1ccccc1Br 34a_100000689332_200000210301 [1,1,0,0,0,0|2,0,0]=4 4114 B10R1.4 CNCc1ccccc1Br 34a_100102657272_100000184730 [1,1,0,0,0,0|2,0,0]=4 4115 B10R1.4 CNCc1ccccc1Br 7a_106832991635_100000184730 [1,1,0,0,0,0|2,0,0]=4 4116 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,1,0,0,0,0|2,0,0]=4 4117 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,1,0,0,0,0|2,0,0]=4 4118 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,1,0,0,0,0|2,0,0]=4 4119 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,1,0,0,0,0|2,0,0]=4 4120 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,1,0,0,0,0|2,0,0]=4 4121 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,1,0,0,0,0|2,0,0]=4 4122 B10R1.4 CNCc1ccccc1Cl 207a_100102657272_100000210073 [1,1,0,0,0,0|2,0,0]=4 4123 B10R1.4 CNCc1ccccc1Cl 2230a_100000174879_200000210301 [1,1,0,0,0,0|2,0,0]=4 4124 B10R1.4 CNCc1ccccc1Cl 2230a_106832991635_100000187162 [1,1,0,0,0,0|2,0,0]=4 4125 B10R1.4 CNCc1ccccc1Cl 26a_100102657272_100000210172 [1,1,0,0,0,0|2,0,0]=4 4126 B10R1.4 CNCc1ccccc1Cl 270004a_106832991635_100000210073 [1,1,0,0,0,0|2,0,0]=4 4127 B10R1.4 CNCc1ccccc1Cl 34a_100000174879_200000210301 [1,1,0,0,0,0|2,0,0]=4 4128 B10R1.4 CNCc1ccccc1Cl 34a_100102657272_100000187162 [1,1,0,0,0,0|2,0,0]=4 4129 B10R1.4 CNCc1ccccc1Cl 7a_106832991635_100000187162 [1,1,0,0,0,0|2,0,0]=4 4130 B10R1.4 CNCc1ccccc1F 207a_100102657272_100000210811 [1,1,0,0,0,0|2,0,0]=4 4131 B10R1.4 CNCc1ccccc1F 2230a_106832991635_100000211605 [1,1,0,0,0,0|2,0,0]=4 4132 B10R1.4 CNCc1ccccc1F 270004a_106832991635_100000210811 [1,1,0,0,0,0|2,0,0]=4 4133 B10R1.4 CNCc1ccccc1F 34a_100000174869_200000210301 [1,1,0,0,0,0|2,0,0]=4 4134 B10R1.4 CNCc1ccccc1F 34a_100102657272_100000211605 [1,1,0,0,0,0|2,0,0]=4 4135 B10R1.4 CNCc1ccccc1F 7a_106832991635_100000211605 [1,1,0,0,0,0|2,0,0]=4 4136 B10R1.4 CNCc1ccccc1I 207a_100102657272_100000010305 [1,1,0,0,0,0|2,0,0]=4 4137 B10R1.4 CNCc1ccccc1I 2230a_106832991635_100011215278 [1,1,0,0,0,0|2,0,0]=4 4138 B10R1.4 CNCc1ccccc1I 270004a_106832991635_100000010305 [1,1,0,0,0,0|2,0,0]=4 4139 B10R1.4 CNCc1ccccc1I 34a_100102657272_100011215278 [1,1,0,0,0,0|2,0,0]=4 4140 B10R1.4 CNCc1ccccc1I 7a_106832991635_100011215278 [1,1,0,0,0,0|2,0,0]=4 4141 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [1,1,0,0,0,0|2,0,0]=4 4142 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [1,1,0,0,0,0|2,0,0]=4 4143 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [1,1,0,0,0,0|2,0,0]=4 4144 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [1,1,0,0,0,0|2,0,0]=4 4145 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [1,1,0,0,0,0|2,0,0]=4 4146 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,1,0,0,0,0|2,0,0]=4 4147 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,1,0,0,0,0|2,0,0]=4 4148 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,1,0,0,0,0|2,0,0]=4 4149 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [1,1,0,0,0,0|2,0,0]=4 4150 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [1,1,0,0,0,0|2,0,0]=4 4151 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [1,1,0,0,0,0|2,0,0]=4 4152 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [1,1,0,0,0,0|2,0,0]=4 4153 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [1,1,0,0,0,0|2,0,0]=4 4154 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [1,1,0,0,0,0|2,0,0]=4 4155 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [1,1,0,0,0,0|2,0,0]=4 4156 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [1,1,0,0,0,0|2,0,0]=4 4157 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [1,1,0,0,0,0|2,0,0]=4 4158 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [1,1,0,0,0,0|2,0,0]=4 4159 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [1,1,0,0,0,0|2,0,0]=4 4160 B10R1.4 CSCc1ccccc1Br 62a_100000184730_200000210301 [1,1,0,0,0,0|2,0,0]=4 4161 B10R1.4 CSCc1ccccc1Br 62a_200000210301_100000184730 [1,1,0,0,0,0|2,0,0]=4 4162 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [1,1,0,0,0,0|2,0,0]=4 4163 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [1,1,0,0,0,0|2,0,0]=4 4164 B10R1.4 CSCc1ccccc1Cl 62a_100000187162_200000210301 [1,1,0,0,0,0|2,0,0]=4 4165 B10R1.4 CSCc1ccccc1Cl 62a_200000210301_100000187162 [1,1,0,0,0,0|2,0,0]=4 4166 B10R1.4 CSCc1ccccc1F 62a_100000211605_200000210301 [1,1,0,0,0,0|2,0,0]=4 4167 B10R1.4 CSCc1ccccc1F 62a_200000210301_100000211605 [1,1,0,0,0,0|2,0,0]=4 4168 B10R1.4 CSCc1ccccc1I 62a_100011216222_200000210301 [1,1,0,0,0,0|2,0,0]=4 4169 B10R1.4 CSCc1ccccc1I 62a_200000210301_100011216222 [1,1,0,0,0,0|2,0,0]=4 4170 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [1,1,0,0,0,0|2,0,0]=4 4171 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,1,0,0,0,0|2,0,0]=4 4172 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,1,0,0,0,0|2,0,0]=4 4173 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,1,0,0,0,0|2,0,0]=4 4174 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [1,1,0,0,0,0|2,0,0]=4 4175 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [1,1,0,0,0,0|2,0,0]=4 4176 B10R1.4 Cc1ccccc1NCF 34a_100015192222_100015361967 [1,1,0,0,0,0|2,0,0]=4 4177 B10R1.4 Cc1ccccc1OCF 34a_100000210338_100015361967 [1,1,0,0,0,0|1,0,0]=3 4178 B10R1.4 Cc1ccccc1OCF 7a_100000210338_100015361967 [1,1,0,0,0,0|1,0,0]=3 4179 B10R1.4 Cc1ccccc1SCF 62a_100000210755_100015361967 [1,1,0,0,0,0|1,1,0]=4 4180 B10R1.4 Cc1ccccc1SCF 62a_100015361967_100000210755 [1,1,0,0,0,0|1,1,0]=4 4181 B10R1.4 Cc1ccncc1OCF 34a_100011997053_100015361967 [1,1,0,0,0,0|2,0,0]=4 4182 B10R1.4 Cc1ccncc1OCF 7a_100011997053_100015361967 [1,1,0,0,0,0|2,0,0]=4 4183 B10R1.4 Cc1cnccc1OCF 34a_100000694293_100015361967 [1,1,0,0,0,0|2,0,0]=4 4184 B10R1.4 Cc1ncccc1OCF 34a_100000745507_100015361967 [1,1,0,0,0,0|2,0,0]=4 4185 B10R1.4 Cc1ncccc1OCF 7a_100000745507_100015361967 [1,1,0,0,0,0|2,0,0]=4 4186 B10R1.4 FCNc1ccccc1Br 34a_100000210017_100015361967 [1,1,0,0,0,0|2,0,0]=4 4187 B10R1.4 FCNc1ccccc1Cl 34a_100000185783_100015361967 [1,1,0,0,0,0|2,0,0]=4 4188 B10R1.4 FCNc1ccccc1F 34a_100000210422_100015361967 [1,1,0,0,0,0|2,0,0]=4 4189 B10R1.4 FCNc1ccccc1I 34a_100000210053_100015361967 [1,1,0,0,0,0|2,0,0]=4 4190 B10R1.4 FCOc1ccccc1Br 34a_100000181306_100015361967 [1,1,0,0,0,0|1,0,0]=3 4191 B10R1.4 FCOc1ccccc1Br 7a_100000181306_100015361967 [1,1,0,0,0,0|1,0,0]=3 4192 B10R1.4 FCOc1ccccc1Cl 34a_100000210172_100015361967 [1,1,0,0,0,0|1,0,0]=3 4193 B10R1.4 FCOc1ccccc1Cl 7a_100000210172_100015361967 [1,1,0,0,0,0|1,0,0]=3 4194 B10R1.4 FCOc1ccccc1F 34a_100000210171_100015361967 [1,1,0,0,0,0|1,0,0]=3 4195 B10R1.4 FCOc1ccccc1F 7a_100000210171_100015361967 [1,1,0,0,0,0|1,0,0]=3 4196 B10R1.4 FCOc1ccccc1I 34a_100000739446_100015361967 [1,1,0,0,0,0|1,0,0]=3 4197 B10R1.4 FCOc1ccccc1I 7a_100000739446_100015361967 [1,1,0,0,0,0|1,0,0]=3 4198 B10R1.4 FCOc1cccnc1Br 34a_100000744436_100015361967 [1,1,0,0,0,0|2,0,0]=4 4199 B10R1.4 FCOc1cccnc1Br 7a_100000744436_100015361967 [1,1,0,0,0,0|2,0,0]=4 4200 B10R1.4 FCOc1cccnc1Cl 34a_100000757616_100015361967 [1,1,0,0,0,0|2,0,0]=4 4201 B10R1.4 FCOc1cccnc1Cl 7a_100000757616_100015361967 [1,1,0,0,0,0|2,0,0]=4 4202 B10R1.4 FCOc1cccnc1F 34a_100000061740_100015361967 [1,1,0,0,0,0|2,0,0]=4 4203 B10R1.4 FCOc1cccnc1F 7a_100000061740_100015361967 [1,1,0,0,0,0|2,0,0]=4 4204 B10R1.4 FCOc1cccnc1I 34a_100000034122_100015361967 [1,1,0,0,0,0|2,0,0]=4 4205 B10R1.4 FCOc1cccnc1I 7a_100000034122_100015361967 [1,1,0,0,0,0|2,0,0]=4 4206 B10R1.4 FCOc1ccncc1Br 34a_100011996408_100015361967 [1,1,0,0,0,0|2,0,0]=4 4207 B10R1.4 FCOc1ccncc1Cl 34a_100011997054_100015361967 [1,1,0,0,0,0|2,0,0]=4 4208 B10R1.4 FCOc1ccncc1F 34a_200000081243_100015361967 [1,1,0,0,0,0|2,0,0]=4 4209 B10R1.4 FCOc1cnccc1Cl 34a_100011996695_100015361967 [1,1,0,0,0,0|2,0,0]=4 4210 B10R1.4 FCOc1cnccc1I 34a_100000050107_100015361967 [1,1,0,0,0,0|2,0,0]=4 4211 B10R1.4 FCOc1ncccc1Cl 34a_100011290957_100015361967 [1,1,0,0,0,0|2,0,0]=4 4212 B10R1.4 FCOc1ncccc1F 34a_100011219419_100015361967 [1,1,0,0,0,0|2,0,0]=4 4213 B10R1.4 FCSc1ccccc1Br 62a_100000695589_100015361967 [1,1,0,0,0,0|1,1,0]=4 4214 B10R1.4 FCSc1ccccc1Br 62a_100015361967_100000695589 [1,1,0,0,0,0|1,1,0]=4 4215 B10R1.4 FCSc1ccccc1Cl 62a_100000764095_100015361967 [1,1,0,0,0,0|1,1,0]=4 4216 B10R1.4 FCSc1ccccc1Cl 62a_100015361967_100000764095 [1,1,0,0,0,0|1,1,0]=4 4217 B10R1.4 FCSc1ccccc1F 62a_100011215700_100015361967 [1,1,0,0,0,0|1,1,0]=4 4218 B10R1.4 FCSc1ccccc1F 62a_100015361967_100011215700 [1,1,0,0,0,0|1,1,0]=4 4219 B10R1.4 N#CCc1ccccc1O 271570a_203496583355_100000033512 [1,1,0,0,0,0|1,0,1]=4 4220 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [1,1,0,0,0,0|1,0,0]=3 4221 B10R1.4 NNCc1ccccc1O 271570a_203496583355_200016993956 [1,1,0,0,0,0|2,0,0]=4 4222 B10R1.4 Nc1ccccc1OCF 34a_100000185747_100015361967 [1,1,0,0,0,0|1,0,0]=3 4223 B10R1.4 Nc1ccccc1OCF 7a_100000185747_100015361967 [1,1,0,0,0,0|1,0,0]=3 4224 B10R1.4 Nc1ccccc1SCF 62a_100000210017_100015361967 [1,1,0,0,0,0|1,1,0]=4 4225 B10R1.4 Nc1ccccc1SCF 62a_100015361967_100000210017 [1,1,0,0,0,0|1,1,0]=4 4226 B10R1.4 Nc1cccnc1OCF 34a_100000746358_100015361967 [1,1,0,0,0,0|2,0,0]=4 4227 B10R1.4 Nc1ccncc1OCF 34a_100000753702_100015361967 [1,1,0,0,0,0|2,0,0]=4 4228 B10R1.4 Nc1ncccc1OCF 34a_100000211975_100015361967 [1,1,0,0,0,0|2,0,0]=4 4229 B10R1.4 Nc1ncccc1OCF 7a_100000211975_100015361967 [1,1,0,0,0,0|2,0,0]=4 4230 B10R1.4 O=c1ccocc1OCF 34a_100000060831_100015361967 [1,1,0,0,0,0|2,0,0]=4 4231 B10R1.4 O=c1occcc1OCF 34a_100000077404_100015361967 [1,1,0,0,0,0|2,0,0]=4 4232 B10R1.4 O=c1occcc1OCF 7a_100000077404_100015361967 [1,1,0,0,0,0|2,0,0]=4 4233 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [1,1,0,0,0,0|0,0,0]=2 4234 B10R1.4 Oc1ccccc1NCF 34a_100000185747_100015361967 [1,1,0,0,0,0|2,0,0]=4 4235 B10R1.4 Oc1ccccc1SCF 62a_100000739446_100015361967 [1,1,0,0,0,0|1,1,0]=4 4236 B10R1.4 Oc1ccccc1SCF 62a_100015361967_100000739446 [1,1,0,0,0,0|1,1,0]=4 4237 B10R1.4 [13CH3]NCc1ccccc1Br 2230a_100000689332_200025704644 [1,1,0,0,0,0|2,0,0]=4 4238 B10R1.4 [13CH3]NCc1ccccc1Br 34a_100000689332_200025704644 [1,1,0,0,0,0|2,0,0]=4 4239 B10R1.4 [13CH3]NCc1ccccc1Cl 2230a_100000174879_200025704644 [1,1,0,0,0,0|2,0,0]=4 4240 B10R1.4 [13CH3]NCc1ccccc1Cl 34a_100000174879_200025704644 [1,1,0,0,0,0|2,0,0]=4 4241 B10R1.4 [13CH3]NCc1ccccc1F 34a_100000174869_200025704644 [1,1,0,0,0,0|2,0,0]=4 4242 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [1,1,0,0,0,0|2,0,0]=4 4243 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [1,1,0,0,0,0|2,0,0]=4 4244 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [1,1,0,0,0,0|2,0,0]=4 4245 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [1,1,0,0,0,0|2,0,0]=4 4246 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [1,1,0,0,0,0|2,0,0]=4 4247 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [1,1,0,0,0,0|2,0,0]=4 4248 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [1,1,0,0,0,0|2,0,0]=4 4249 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [1,1,0,0,0,0|2,0,0]=4 4250 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [1,1,0,0,0,0|2,0,0]=4 4251 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [1,1,0,0,0,0|2,0,0]=4 4252 B10R1.4 [13CH3]SCc1ccccc1Br 62a_100000184730_200025704644 [1,1,0,0,0,0|2,0,0]=4 4253 B10R1.4 [13CH3]SCc1ccccc1Br 62a_200025704644_100000184730 [1,1,0,0,0,0|2,0,0]=4 4254 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_100000187162_200025704644 [1,1,0,0,0,0|2,0,0]=4 4255 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_200025704644_100000187162 [1,1,0,0,0,0|2,0,0]=4 4256 B10R1.4 [13CH3]SCc1ccccc1F 62a_100000211605_200025704644 [1,1,0,0,0,0|2,0,0]=4 4257 B10R1.4 [13CH3]SCc1ccccc1F 62a_200025704644_100000211605 [1,1,0,0,0,0|2,0,0]=4 4258 B10R1.4 [13CH3]SCc1ccccc1I 62a_100011216222_200025704644 [1,1,0,0,0,0|2,0,0]=4 4259 B10R1.4 [13CH3]SCc1ccccc1I 62a_200025704644_100011216222 [1,1,0,0,0,0|2,0,0]=4 4260 B10R1.4 [O-][n+]1ccccc1OCF 7a_100000211761_100015361967 [1,1,0,0,0,0|2,0,0]=4 4261 B10R1.10 C=CCc1cccc(c1)O 271570a_203496583355_100009816576 [1,1,0,0,0,0|1,0,1]=4 4262 B10R1.10 CC#Cc1cccc(c1)O 271570a_203496583355_200009843338 [1,1,0,0,0,0|1,0,1]=4 4263 B10R1.10 CC=Cc1cccc(c1)Br 271570a_100016259895_100000691529 [1,1,0,0,0,0|1,0,1]=4 4264 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [1,1,0,0,0,0|1,0,1]=4 4265 B10R1.10 CC=Cc1cccc(c1)Cl 271570a_100016259895_100000699651 [1,1,0,0,0,0|1,0,1]=4 4266 B10R1.10 CC=Cc1cccc(c1)F 271570a_100016259895_100000685547 [1,1,0,0,0,0|1,0,1]=4 4267 B10R1.10 CC=Cc1cccc(c1)N 271570a_100016259895_100000210019 [1,1,0,0,0,0|1,0,1]=4 4268 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [1,1,0,0,0,0|1,0,1]=4 4269 B10R1.10 CC=Cc1cccc(c1)[S] 271570a_100016259895_114929384022 [1,1,0,0,0,0|1,0,1]=4 4270 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [1,1,0,0,0,0|1,0,0]=3 4271 B10R1.10 CCNc1cc(ccn1)F 27a_100015525214_100000764206 [1,1,0,0,0,0|2,0,0]=4 4272 B10R1.10 CCNc1cc[nH]c(=O)c1 27a_100015525214_100000061649 [1,1,0,0,0,0|2,0,0]=4 4273 B10R1.10 CCNc1cccc(c1)Br 34a_100000210019_100000210202 [1,1,0,0,0,0|1,0,0]=3 4274 B10R1.10 CCNc1cccc(c1)C 2230a_100000188690_100000210202 [1,1,0,0,0,0|1,0,0]=3 4275 B10R1.10 CCNc1cccc(c1)C 34a_100000188690_100000210202 [1,1,0,0,0,0|1,0,0]=3 4276 B10R1.10 CCNc1cccc(c1)Cl 34a_100000185859_100000210202 [1,1,0,0,0,0|1,0,0]=3 4277 B10R1.10 CCNc1cccc(c1)F 34a_100000210047_100000210202 [1,1,0,0,0,0|1,0,0]=3 4278 B10R1.10 CCNc1cccc(c1)I 34a_100000211102_100000210202 [1,1,0,0,0,0|1,0,0]=3 4279 B10R1.10 CCNc1cccc(c1)O 271570a_203496583355_100000738899 [1,1,0,0,0,0|1,0,0]=3 4280 B10R1.10 CCNc1cccc(c1)O 34a_100000210217_100000210202 [1,1,0,0,0,0|1,0,0]=3 4281 B10R1.10 CCNc1cccc(n1)F 27a_100015525214_100009815982 [1,1,0,0,0,0|2,0,0]=4 4282 B10R1.10 CCNc1cccc(n1)O 271570a_203496583355_200020678610 [1,1,0,0,0,0|2,0,0]=4 4283 B10R1.10 CCNc1ccnc(c1)C 27a_100015525214_100000758586 [1,1,0,0,0,0|2,0,0]=4 4284 B10R1.10 CCNc1ccnc(c1)F 27a_100015525214_100009816116 [1,1,0,0,0,0|2,0,0]=4 4285 B10R1.10 CCOc1cc(ccn1)O 271570a_203496583355_100009995528 [1,1,0,0,0,0|1,0,0]=3 4286 B10R1.10 CCOc1cc(cnn1)C 34a_100000766097_100000210202 [1,1,0,0,0,0|2,0,0]=4 4287 B10R1.10 CCOc1cc(ncn1)O 271570a_203496583355_100000765465 [1,1,0,0,0,0|2,0,0]=4 4288 B10R1.10 CCOc1cc[nH]c(=O)c1 34a_100000032262_100000210202 [1,1,0,0,0,0|1,0,0]=3 4289 B10R1.10 CCOc1ccc[n+](c1)[O-] 34a_100000039713_100000210202 [1,1,0,0,0,0|1,0,0]=3 4290 B10R1.10 CCOc1ccc[n+](c1)[O-] 7a_100000039713_100000210202 [1,1,0,0,0,0|1,0,0]=3 4291 B10R1.10 CCOc1cccc(=O)[nH]1 34a_100000033347_100000210202 [1,1,0,0,0,0|1,0,0]=3 4292 B10R1.10 CCOc1cccc(c1)Br 34a_100000210342_100000210202 [1,1,0,0,0,0|0,0,0]=2 4293 B10R1.10 CCOc1cccc(c1)Br 7a_100000210342_100000210202 [1,1,0,0,0,0|0,0,0]=2 4294 B10R1.10 CCOc1cccc(c1)C 34a_100000210337_100000210202 [1,1,0,0,0,0|0,0,0]=2 4295 B10R1.10 CCOc1cccc(c1)C 7a_100000210337_100000210202 [1,1,0,0,0,0|0,0,0]=2 4296 B10R1.10 CCOc1cccc(c1)Cl 34a_100000210295_100000210202 [1,1,0,0,0,0|0,0,0]=2 4297 B10R1.10 CCOc1cccc(c1)Cl 7a_100000210295_100000210202 [1,1,0,0,0,0|0,0,0]=2 4298 B10R1.10 CCOc1cccc(c1)F 34a_100000210426_100000210202 [1,1,0,0,0,0|0,0,0]=2 4299 B10R1.10 CCOc1cccc(c1)F 7a_100000210426_100000210202 [1,1,0,0,0,0|0,0,0]=2 4300 B10R1.10 CCOc1cccc(c1)I 34a_100000211634_100000210202 [1,1,0,0,0,0|0,0,0]=2 4301 B10R1.10 CCOc1cccc(c1)I 7a_100000211634_100000210202 [1,1,0,0,0,0|0,0,0]=2 4302 B10R1.10 CCOc1cccc(c1)N 34a_100000210217_100000210202 [1,1,0,0,0,0|0,0,0]=2 4303 B10R1.10 CCOc1cccc(c1)O 271570a_203496583355_100000170002 [1,1,0,0,0,0|0,0,0]=2 4304 B10R1.10 CCOc1cccc(n1)F 34a_100011432558_100000210202 [1,1,0,0,0,0|1,0,0]=3 4305 B10R1.10 CCOc1cccc(n1)O 271570a_203496583355_100000752924 [1,1,0,0,0,0|1,0,0]=3 4306 B10R1.10 CCOc1ccnc(c1)C 34a_100000688365_100000210202 [1,1,0,0,0,0|1,0,0]=3 4307 B10R1.10 CCOc1ccnc(c1)Cl 34a_100000762945_100000210202 [1,1,0,0,0,0|1,0,0]=3 4308 B10R1.10 CCOc1ccnc(c1)F 34a_100000732698_100000210202 [1,1,0,0,0,0|1,0,0]=3 4309 B10R1.10 CCOc1ccnc(c1)N 34a_100011834064_100000210202 [1,1,0,0,0,0|1,0,0]=3 4310 B10R1.10 CCOc1ccnc(c1)O 271570a_203496583355_100011922638 [1,1,0,0,0,0|1,0,0]=3 4311 B10R1.10 CCOc1ccnc(n1)O 271570a_203496583355_100011649779 [1,1,0,0,0,0|2,0,0]=4 4312 B10R1.10 CCOc1cncc(c1)Br 34a_100000754920_100000210202 [1,1,0,0,0,0|1,0,0]=3 4313 B10R1.10 CCOc1cncc(c1)Br 7a_100000754920_100000210202 [1,1,0,0,0,0|1,0,0]=3 4314 B10R1.10 CCOc1cncc(c1)C 34a_100011830280_100000210202 [1,1,0,0,0,0|1,0,0]=3 4315 B10R1.10 CCOc1cncc(c1)C 7a_100011830280_100000210202 [1,1,0,0,0,0|1,0,0]=3 4316 B10R1.10 CCOc1cncc(c1)Cl 7a_100000032511_100000210202 [1,1,0,0,0,0|1,0,0]=3 4317 B10R1.10 CCOc1cncc(c1)F 34a_100011830296_100000210202 [1,1,0,0,0,0|1,0,0]=3 4318 B10R1.10 CCOc1cncc(c1)F 7a_100011830296_100000210202 [1,1,0,0,0,0|1,0,0]=3 4319 B10R1.10 CCOc1cncc(c1)N 34a_100011997051_100000210202 [1,1,0,0,0,0|1,0,0]=3 4320 B10R1.10 CCOc1cncc(c1)O 271570a_203496583355_100012029586 [1,1,0,0,0,0|1,0,0]=3 4321 B10R1.10 CCOc1cncc(n1)O 271570a_203496583355_100000757043 [1,1,0,0,0,0|2,0,0]=4 4322 B10R1.10 CCOc1cnnc(c1)Cl 34a_200010734679_100000210202 [1,1,0,0,0,0|2,0,0]=4 4323 B10R1.10 CCOc1cnnc(c1)N 34a_200015193112_100000210202 [1,1,0,0,0,0|2,0,0]=4 4324 B10R1.10 CCSc1cc(=O)cc[nH]1 62a_100009817434_100000210202 [1,1,0,0,0,0|1,1,0]=4 4325 B10R1.10 CCSc1cc(ccn1)C 62a_100000210202_100000750283 [1,1,0,0,0,0|1,1,0]=4 4326 B10R1.10 CCSc1cc(ccn1)C 62a_100000750283_100000210202 [1,1,0,0,0,0|1,1,0]=4 4327 B10R1.10 CCSc1cc(ccn1)Cl 62a_100000210202_100010167805 [1,1,0,0,0,0|1,1,0]=4 4328 B10R1.10 CCSc1cc(ccn1)Cl 62a_100010167805_100000210202 [1,1,0,0,0,0|1,1,0]=4 4329 B10R1.10 CCSc1cc(ccn1)F 62a_100000210202_100000764206 [1,1,0,0,0,0|1,1,0]=4 4330 B10R1.10 CCSc1cc(ccn1)F 62a_100000764206_100000210202 [1,1,0,0,0,0|1,1,0]=4 4331 B10R1.10 CCSc1cc(ccn1)N 62a_100000210202_100009814236 [1,1,0,0,0,0|1,1,0]=4 4332 B10R1.10 CCSc1cc(ccn1)N 62a_100009814236_100000210202 [1,1,0,0,0,0|1,1,0]=4 4333 B10R1.10 CCSc1cc(ccn1)O 62a_100000210202_100000762945 [1,1,0,0,0,0|1,1,0]=4 4334 B10R1.10 CCSc1cc[nH]c(=O)c1 62a_100000210202_100009816521 [1,1,0,0,0,0|1,1,0]=4 4335 B10R1.10 CCSc1cc[nH]c(=O)c1 62a_100009816521_100000210202 [1,1,0,0,0,0|1,1,0]=4 4336 B10R1.10 CCSc1ccc[n+](c1)C 62a_100000210202_100009996589 [1,1,0,0,0,0|1,1,0]=4 4337 B10R1.10 CCSc1ccc[n+](c1)C 62a_100009996589_100000210202 [1,1,0,0,0,0|1,1,0]=4 4338 B10R1.10 CCSc1ccc[n+](c1)[O-] 62a_100000210202_100009815978 [1,1,0,0,0,0|1,1,0]=4 4339 B10R1.10 CCSc1cccc(=O)[nH]1 62a_100000210202_100000752884 [1,1,0,0,0,0|1,1,0]=4 4340 B10R1.10 CCSc1cccc(c1)Br 62a_100000210202_100000691529 [1,1,0,0,0,0|0,1,0]=3 4341 B10R1.10 CCSc1cccc(c1)Br 62a_100000691529_100000210202 [1,1,0,0,0,0|0,1,0]=3 4342 B10R1.10 CCSc1cccc(c1)C 62a_100000210202_100011215228 [1,1,0,0,0,0|0,1,0]=3 4343 B10R1.10 CCSc1cccc(c1)C 62a_100011215228_100000210202 [1,1,0,0,0,0|0,1,0]=3 4344 B10R1.10 CCSc1cccc(c1)Cl 62a_100000210202_100000699651 [1,1,0,0,0,0|0,1,0]=3 4345 B10R1.10 CCSc1cccc(c1)Cl 62a_100000699651_100000210202 [1,1,0,0,0,0|0,1,0]=3 4346 B10R1.10 CCSc1cccc(c1)F 62a_100000210202_100000685547 [1,1,0,0,0,0|0,1,0]=3 4347 B10R1.10 CCSc1cccc(c1)F 62a_100000685547_100000210202 [1,1,0,0,0,0|0,1,0]=3 4348 B10R1.10 CCSc1cccc(c1)N 62a_100000210019_100000210202 [1,1,0,0,0,0|0,1,0]=3 4349 B10R1.10 CCSc1cccc(c1)N 62a_100000210202_100000210019 [1,1,0,0,0,0|0,1,0]=3 4350 B10R1.10 CCSc1cccc(c1)O 271570a_203496583355_100000703699 [1,1,0,0,0,0|0,1,0]=3 4351 B10R1.10 CCSc1cccc(c1)O 62a_100000210202_100000211634 [1,1,0,0,0,0|0,1,0]=3 4352 B10R1.10 CCSc1cccc(c1)[S] 62a_100000210202_114929384022 [1,1,0,0,0,0|0,1,0]=3 4353 B10R1.10 CCSc1cccc(c1)[S] 62a_114929384022_100000210202 [1,1,0,0,0,0|0,1,0]=3 4354 B10R1.10 CCSc1cccc(n1)Br 62a_100000210202_100000684672 [1,1,0,0,0,0|1,1,0]=4 4355 B10R1.10 CCSc1cccc(n1)Br 62a_100000684672_100000210202 [1,1,0,0,0,0|1,1,0]=4 4356 B10R1.10 CCSc1cccc(n1)C 62a_100000210202_100000742759 [1,1,0,0,0,0|1,1,0]=4 4357 B10R1.10 CCSc1cccc(n1)C 62a_100000742759_100000210202 [1,1,0,0,0,0|1,1,0]=4 4358 B10R1.10 CCSc1cccc(n1)Cl 62a_100000051397_100000210202 [1,1,0,0,0,0|1,1,0]=4 4359 B10R1.10 CCSc1cccc(n1)Cl 62a_100000210202_100000051397 [1,1,0,0,0,0|1,1,0]=4 4360 B10R1.10 CCSc1cccc(n1)F 62a_100000210202_100009815982 [1,1,0,0,0,0|1,1,0]=4 4361 B10R1.10 CCSc1cccc(n1)F 62a_100009815982_100000210202 [1,1,0,0,0,0|1,1,0]=4 4362 B10R1.10 CCSc1cccc(n1)N 62a_100000210202_100000740741 [1,1,0,0,0,0|1,1,0]=4 4363 B10R1.10 CCSc1cccc(n1)N 62a_100000740741_100000210202 [1,1,0,0,0,0|1,1,0]=4 4364 B10R1.10 CCSc1ccnc(c1)Br 62a_100000210202_100009814637 [1,1,0,0,0,0|1,1,0]=4 4365 B10R1.10 CCSc1ccnc(c1)Br 62a_100009814637_100000210202 [1,1,0,0,0,0|1,1,0]=4 4366 B10R1.10 CCSc1ccnc(c1)C 62a_100000210202_100000758586 [1,1,0,0,0,0|1,1,0]=4 4367 B10R1.10 CCSc1ccnc(c1)C 62a_100000758586_100000210202 [1,1,0,0,0,0|1,1,0]=4 4368 B10R1.10 CCSc1ccnc(c1)Cl 62a_100000035001_100000210202 [1,1,0,0,0,0|1,1,0]=4 4369 B10R1.10 CCSc1ccnc(c1)Cl 62a_100000210202_100000035001 [1,1,0,0,0,0|1,1,0]=4 4370 B10R1.10 CCSc1ccnc(c1)F 62a_100000210202_100009816116 [1,1,0,0,0,0|1,1,0]=4 4371 B10R1.10 CCSc1ccnc(c1)F 62a_100009816116_100000210202 [1,1,0,0,0,0|1,1,0]=4 4372 B10R1.10 CCSc1ccnc(c1)N 62a_100000049665_100000210202 [1,1,0,0,0,0|1,1,0]=4 4373 B10R1.10 CCSc1ccnc(c1)N 62a_100000210202_100000049665 [1,1,0,0,0,0|1,1,0]=4 4374 B10R1.10 CCSc1cncc(c1)Br 62a_100000210202_100000728054 [1,1,0,0,0,0|1,1,0]=4 4375 B10R1.10 CCSc1cncc(c1)Br 62a_100000728054_100000210202 [1,1,0,0,0,0|1,1,0]=4 4376 B10R1.10 CCSc1cncc(c1)C 62a_100000210202_100000760492 [1,1,0,0,0,0|1,1,0]=4 4377 B10R1.10 CCSc1cncc(c1)C 62a_100000760492_100000210202 [1,1,0,0,0,0|1,1,0]=4 4378 B10R1.10 CCSc1cncc(c1)Cl 62a_100000049639_100000210202 [1,1,0,0,0,0|1,1,0]=4 4379 B10R1.10 CCSc1cncc(c1)Cl 62a_100000210202_100000049639 [1,1,0,0,0,0|1,1,0]=4 4380 B10R1.10 CCSc1cncc(c1)F 62a_100000210202_100000744099 [1,1,0,0,0,0|1,1,0]=4 4381 B10R1.10 CCSc1cncc(c1)F 62a_100000744099_100000210202 [1,1,0,0,0,0|1,1,0]=4 4382 B10R1.10 CCSc1cncc(c1)N 62a_100000210202_100000687067 [1,1,0,0,0,0|1,1,0]=4 4383 B10R1.10 CCSc1cncc(c1)N 62a_100000687067_100000210202 [1,1,0,0,0,0|1,1,0]=4 4384 B10R1.10 CCSc1cncc(c1)O 62a_100000210202_100000754920 [1,1,0,0,0,0|1,1,0]=4 4385 B10R1.10 CCSc1cncc(c1)O 62a_100000754920_100000210202 [1,1,0,0,0,0|1,1,0]=4 4386 B10R1.10 CNCc1cccc(c1)Br 207a_100102657272_100000210085 [1,1,0,0,0,0|2,0,0]=4 4387 B10R1.10 CNCc1cccc(c1)Br 2230a_100000174977_200000210301 [1,1,0,0,0,0|2,0,0]=4 4388 B10R1.10 CNCc1cccc(c1)Br 2230a_106832991635_100000698116 [1,1,0,0,0,0|2,0,0]=4 4389 B10R1.10 CNCc1cccc(c1)Br 26a_100102657272_100000210342 [1,1,0,0,0,0|2,0,0]=4 4390 B10R1.10 CNCc1cccc(c1)Br 270004a_106832991635_100000210085 [1,1,0,0,0,0|2,0,0]=4 4391 B10R1.10 CNCc1cccc(c1)Br 34a_100000174977_200000210301 [1,1,0,0,0,0|2,0,0]=4 4392 B10R1.10 CNCc1cccc(c1)Br 34a_100102657272_100000698116 [1,1,0,0,0,0|2,0,0]=4 4393 B10R1.10 CNCc1cccc(c1)Br 7a_106832991635_100000211773 [1,1,0,0,0,0|2,0,0]=4 4394 B10R1.10 CNCc1cccc(c1)C 207a_100102657272_100000211157 [1,1,0,0,0,0|2,0,0]=4 4395 B10R1.10 CNCc1cccc(c1)C 2230a_100000185548_200000210301 [1,1,0,0,0,0|2,0,0]=4 4396 B10R1.10 CNCc1cccc(c1)C 2230a_106832991635_100000211840 [1,1,0,0,0,0|2,0,0]=4 4397 B10R1.10 CNCc1cccc(c1)C 270004a_106832991635_100000211157 [1,1,0,0,0,0|2,0,0]=4 4398 B10R1.10 CNCc1cccc(c1)C 34a_100000185548_200000210301 [1,1,0,0,0,0|2,0,0]=4 4399 B10R1.10 CNCc1cccc(c1)C 34a_100102657272_100000211840 [1,1,0,0,0,0|2,0,0]=4 4400 B10R1.10 CNCc1cccc(c1)C 7a_106832991635_100000211840 [1,1,0,0,0,0|2,0,0]=4 4401 B10R1.10 CNCc1cccc(c1)Cl 207a_100102657272_100000210801 [1,1,0,0,0,0|2,0,0]=4 4402 B10R1.10 CNCc1cccc(c1)Cl 2230a_100000174878_200000210301 [1,1,0,0,0,0|2,0,0]=4 4403 B10R1.10 CNCc1cccc(c1)Cl 2230a_106832991635_100000181238 [1,1,0,0,0,0|2,0,0]=4 4404 B10R1.10 CNCc1cccc(c1)Cl 270004a_106832991635_100000210801 [1,1,0,0,0,0|2,0,0]=4 4405 B10R1.10 CNCc1cccc(c1)Cl 34a_100000174878_200000210301 [1,1,0,0,0,0|2,0,0]=4 4406 B10R1.10 CNCc1cccc(c1)Cl 34a_100102657272_100000187163 [1,1,0,0,0,0|2,0,0]=4 4407 B10R1.10 CNCc1cccc(c1)Cl 7a_106832991635_100000187163 [1,1,0,0,0,0|2,0,0]=4 4408 B10R1.10 CNCc1cccc(c1)F 207a_100102657272_100000210812 [1,1,0,0,0,0|2,0,0]=4 4409 B10R1.10 CNCc1cccc(c1)F 2230a_100000174948_200000210301 [1,1,0,0,0,0|2,0,0]=4 4410 B10R1.10 CNCc1cccc(c1)F 2230a_106832991635_100000230114 [1,1,0,0,0,0|2,0,0]=4 4411 B10R1.10 CNCc1cccc(c1)F 270004a_106832991635_100000210812 [1,1,0,0,0,0|2,0,0]=4 4412 B10R1.10 CNCc1cccc(c1)F 34a_100000174948_200000210301 [1,1,0,0,0,0|2,0,0]=4 4413 B10R1.10 CNCc1cccc(c1)F 34a_100102657272_100000187166 [1,1,0,0,0,0|2,0,0]=4 4414 B10R1.10 CNCc1cccc(c1)F 7a_106832991635_100000230114 [1,1,0,0,0,0|2,0,0]=4 4415 B10R1.10 CNCc1cccc(c1)I 207a_100102657272_100000014684 [1,1,0,0,0,0|2,0,0]=4 4416 B10R1.10 CNCc1cccc(c1)I 2230a_100000106179_200000210301 [1,1,0,0,0,0|2,0,0]=4 4417 B10R1.10 CNCc1cccc(c1)I 2230a_106832991635_100011218688 [1,1,0,0,0,0|2,0,0]=4 4418 B10R1.10 CNCc1cccc(c1)I 270004a_106832991635_100000014684 [1,1,0,0,0,0|2,0,0]=4 4419 B10R1.10 CNCc1cccc(c1)I 34a_100000106179_200000210301 [1,1,0,0,0,0|2,0,0]=4 4420 B10R1.10 CNCc1cccc(c1)I 34a_100102657272_100011218688 [1,1,0,0,0,0|2,0,0]=4 4421 B10R1.10 CNCc1cccc(c1)I 7a_106832991635_100011218688 [1,1,0,0,0,0|2,0,0]=4 4422 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [1,1,0,0,0,0|2,0,0]=4 4423 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [1,1,0,0,0,0|2,0,0]=4 4424 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [1,1,0,0,0,0|2,0,0]=4 4425 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [1,1,0,0,0,0|2,0,0]=4 4426 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [1,1,0,0,0,0|2,0,0]=4 4427 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [1,1,0,0,0,0|2,0,0]=4 4428 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [1,1,0,0,0,0|2,0,0]=4 4429 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [1,1,0,0,0,0|2,0,0]=4 4430 B10R1.10 COCc1cccc(c1)Br 34a_100000687537_200000210301 [1,1,0,0,0,0|2,0,0]=4 4431 B10R1.10 COCc1cccc(c1)Br 34a_100138415774_100000698116 [1,1,0,0,0,0|2,0,0]=4 4432 B10R1.10 COCc1cccc(c1)Br 7a_100000687537_200000210301 [1,1,0,0,0,0|2,0,0]=4 4433 B10R1.10 COCc1cccc(c1)C 34a_100011217746_200000210301 [1,1,0,0,0,0|2,0,0]=4 4434 B10R1.10 COCc1cccc(c1)C 34a_100138415774_100000211840 [1,1,0,0,0,0|2,0,0]=4 4435 B10R1.10 COCc1cccc(c1)C 7a_100011217746_200000210301 [1,1,0,0,0,0|2,0,0]=4 4436 B10R1.10 COCc1cccc(c1)Cl 34a_100000241301_200000210301 [1,1,0,0,0,0|2,0,0]=4 4437 B10R1.10 COCc1cccc(c1)Cl 34a_100138415774_100000187163 [1,1,0,0,0,0|2,0,0]=4 4438 B10R1.10 COCc1cccc(c1)Cl 7a_100000241301_200000210301 [1,1,0,0,0,0|2,0,0]=4 4439 B10R1.10 COCc1cccc(c1)F 34a_100000210976_200000210301 [1,1,0,0,0,0|2,0,0]=4 4440 B10R1.10 COCc1cccc(c1)F 34a_100138415774_100000187166 [1,1,0,0,0,0|2,0,0]=4 4441 B10R1.10 COCc1cccc(c1)F 7a_100000210976_200000210301 [1,1,0,0,0,0|2,0,0]=4 4442 B10R1.10 COCc1cccc(c1)I 34a_100011215336_200000210301 [1,1,0,0,0,0|2,0,0]=4 4443 B10R1.10 COCc1cccc(c1)I 34a_100138415774_100011218688 [1,1,0,0,0,0|2,0,0]=4 4444 B10R1.10 COCc1cccc(c1)I 7a_100011215336_200000210301 [1,1,0,0,0,0|2,0,0]=4 4445 B10R1.10 COCc1cccc(c1)N 34a_100000211919_200000210301 [1,1,0,0,0,0|2,0,0]=4 4446 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [1,1,0,0,0,0|2,0,0]=4 4447 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [1,1,0,0,0,0|2,0,0]=4 4448 B10R1.10 CSCc1cccc(c1)Br 62a_100000211773_200000210301 [1,1,0,0,0,0|2,0,0]=4 4449 B10R1.10 CSCc1cccc(c1)Br 62a_200000210301_100000211773 [1,1,0,0,0,0|2,0,0]=4 4450 B10R1.10 CSCc1cccc(c1)C 62a_100000211840_200000210301 [1,1,0,0,0,0|2,0,0]=4 4451 B10R1.10 CSCc1cccc(c1)C 62a_200000210301_100000211840 [1,1,0,0,0,0|2,0,0]=4 4452 B10R1.10 CSCc1cccc(c1)Cl 62a_100000187163_200000210301 [1,1,0,0,0,0|2,0,0]=4 4453 B10R1.10 CSCc1cccc(c1)Cl 62a_200000210301_100000187163 [1,1,0,0,0,0|2,0,0]=4 4454 B10R1.10 CSCc1cccc(c1)F 62a_100000230114_200000210301 [1,1,0,0,0,0|2,0,0]=4 4455 B10R1.10 CSCc1cccc(c1)F 62a_200000210301_100000230114 [1,1,0,0,0,0|2,0,0]=4 4456 B10R1.10 CSCc1cccc(c1)I 62a_100011218688_200000210301 [1,1,0,0,0,0|2,0,0]=4 4457 B10R1.10 CSCc1cccc(c1)I 62a_200000210301_100011218688 [1,1,0,0,0,0|2,0,0]=4 4458 B10R1.10 CSCc1cccc(c1)O 62a_100011660834_200000210301 [1,1,0,0,0,0|2,0,0]=4 4459 B10R1.10 CSCc1cccc(c1)O 62a_200000210301_100011660834 [1,1,0,0,0,0|2,0,0]=4 4460 B10R1.10 Cc1cc(ccn1)OCF 34a_100000688365_100015361967 [1,1,0,0,0,0|2,0,0]=4 4461 B10R1.10 Cc1cccc(c1)CN[13CH3] 2230a_100000185548_200025704644 [1,1,0,0,0,0|2,0,0]=4 4462 B10R1.10 Cc1cccc(c1)CN[13CH3] 34a_100000185548_200025704644 [1,1,0,0,0,0|2,0,0]=4 4463 B10R1.10 Cc1cccc(c1)CO[13CH3] 34a_100011217746_200025704644 [1,1,0,0,0,0|2,0,0]=4 4464 B10R1.10 Cc1cccc(c1)CO[13CH3] 7a_100011217746_200025704644 [1,1,0,0,0,0|2,0,0]=4 4465 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_100000211840_200025704644 [1,1,0,0,0,0|2,0,0]=4 4466 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_200025704644_100000211840 [1,1,0,0,0,0|2,0,0]=4 4467 B10R1.10 Cc1cccc(c1)NCF 34a_100000188690_100015361967 [1,1,0,0,0,0|2,0,0]=4 4468 B10R1.10 Cc1cccc(c1)OCF 34a_100000210337_100015361967 [1,1,0,0,0,0|1,0,0]=3 4469 B10R1.10 Cc1cccc(c1)OCF 7a_100000210337_100015361967 [1,1,0,0,0,0|1,0,0]=3 4470 B10R1.10 Cc1cccc(c1)SCF 62a_100011215228_100015361967 [1,1,0,0,0,0|1,1,0]=4 4471 B10R1.10 Cc1cccc(c1)SCF 62a_100015361967_100011215228 [1,1,0,0,0,0|1,1,0]=4 4472 B10R1.10 Cc1cncc(c1)OCF 34a_100011830280_100015361967 [1,1,0,0,0,0|2,0,0]=4 4473 B10R1.10 Cc1cncc(c1)OCF 7a_100011830280_100015361967 [1,1,0,0,0,0|2,0,0]=4 4474 B10R1.10 FCNc1cccc(c1)Br 34a_100000210019_100015361967 [1,1,0,0,0,0|2,0,0]=4 4475 B10R1.10 FCNc1cccc(c1)Cl 34a_100000185859_100015361967 [1,1,0,0,0,0|2,0,0]=4 4476 B10R1.10 FCNc1cccc(c1)F 34a_100000210047_100015361967 [1,1,0,0,0,0|2,0,0]=4 4477 B10R1.10 FCNc1cccc(c1)I 34a_100000211102_100015361967 [1,1,0,0,0,0|2,0,0]=4 4478 B10R1.10 FCOc1cccc(c1)Br 34a_100000210342_100015361967 [1,1,0,0,0,0|1,0,0]=3 4479 B10R1.10 FCOc1cccc(c1)Br 7a_100000210342_100015361967 [1,1,0,0,0,0|1,0,0]=3 4480 B10R1.10 FCOc1cccc(c1)Cl 34a_100000210295_100015361967 [1,1,0,0,0,0|1,0,0]=3 4481 B10R1.10 FCOc1cccc(c1)Cl 7a_100000210295_100015361967 [1,1,0,0,0,0|1,0,0]=3 4482 B10R1.10 FCOc1cccc(c1)F 34a_100000210426_100015361967 [1,1,0,0,0,0|1,0,0]=3 4483 B10R1.10 FCOc1cccc(c1)F 7a_100000210426_100015361967 [1,1,0,0,0,0|1,0,0]=3 4484 B10R1.10 FCOc1cccc(c1)I 34a_100000211634_100015361967 [1,1,0,0,0,0|1,0,0]=3 4485 B10R1.10 FCOc1cccc(c1)I 7a_100000211634_100015361967 [1,1,0,0,0,0|1,0,0]=3 4486 B10R1.10 FCOc1cccc(n1)F 34a_100011432558_100015361967 [1,1,0,0,0,0|2,0,0]=4 4487 B10R1.10 FCOc1ccnc(c1)Cl 34a_100000762945_100015361967 [1,1,0,0,0,0|2,0,0]=4 4488 B10R1.10 FCOc1ccnc(c1)F 34a_100000732698_100015361967 [1,1,0,0,0,0|2,0,0]=4 4489 B10R1.10 FCOc1cncc(c1)Br 34a_100000754920_100015361967 [1,1,0,0,0,0|2,0,0]=4 4490 B10R1.10 FCOc1cncc(c1)Br 7a_100000754920_100015361967 [1,1,0,0,0,0|2,0,0]=4 4491 B10R1.10 FCOc1cncc(c1)Cl 7a_100000032511_100015361967 [1,1,0,0,0,0|2,0,0]=4 4492 B10R1.10 FCOc1cncc(c1)F 34a_100011830296_100015361967 [1,1,0,0,0,0|2,0,0]=4 4493 B10R1.10 FCOc1cncc(c1)F 7a_100011830296_100015361967 [1,1,0,0,0,0|2,0,0]=4 4494 B10R1.10 FCSc1cccc(c1)Br 62a_100000691529_100015361967 [1,1,0,0,0,0|1,1,0]=4 4495 B10R1.10 FCSc1cccc(c1)Br 62a_100015361967_100000691529 [1,1,0,0,0,0|1,1,0]=4 4496 B10R1.10 FCSc1cccc(c1)Cl 62a_100000699651_100015361967 [1,1,0,0,0,0|1,1,0]=4 4497 B10R1.10 FCSc1cccc(c1)Cl 62a_100015361967_100000699651 [1,1,0,0,0,0|1,1,0]=4 4498 B10R1.10 FCSc1cccc(c1)F 62a_100000685547_100015361967 [1,1,0,0,0,0|1,1,0]=4 4499 B10R1.10 FCSc1cccc(c1)F 62a_100015361967_100000685547 [1,1,0,0,0,0|1,1,0]=4 4500 B10R1.10 FCSc1cccc(c1)[S] 62a_100015361967_114929384022 [1,1,0,0,0,0|1,1,0]=4 4501 B10R1.10 FCSc1cccc(c1)[S] 62a_114929384022_100015361967 [1,1,0,0,0,0|1,1,0]=4 4502 B10R1.10 N#CCc1cccc(c1)O 271570a_203496583355_100000034040 [1,1,0,0,0,0|1,0,1]=4 4503 B10R1.10 NCCc1cccc(c1)O 271570a_203496583355_100011207229 [1,1,0,0,0,0|1,0,0]=3 4504 B10R1.10 NNCc1cccc(c1)O 271570a_203496583355_100000686200 [1,1,0,0,0,0|2,0,0]=4 4505 B10R1.10 Nc1cc(ccn1)OCF 34a_100011834064_100015361967 [1,1,0,0,0,0|2,0,0]=4 4506 B10R1.10 Nc1cccc(c1)OCF 34a_100000210217_100015361967 [1,1,0,0,0,0|1,0,0]=3 4507 B10R1.10 Nc1cccc(c1)SCF 62a_100000210019_100015361967 [1,1,0,0,0,0|1,1,0]=4 4508 B10R1.10 Nc1cccc(c1)SCF 62a_100015361967_100000210019 [1,1,0,0,0,0|1,1,0]=4 4509 B10R1.10 Nc1cncc(c1)OCF 34a_100011997051_100015361967 [1,1,0,0,0,0|2,0,0]=4 4510 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [1,1,0,0,0,0|0,0,2]=4 4511 B10R1.10 O=c1cc(cc[nH]1)OCF 34a_100000032262_100015361967 [1,1,0,0,0,0|2,0,0]=4 4512 B10R1.10 O=c1cccc([nH]1)OCF 34a_100000033347_100015361967 [1,1,0,0,0,0|2,0,0]=4 4513 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [1,1,0,0,0,0|0,0,0]=2 4514 B10R1.10 OCCc1cccc(n1)O 271570a_203496583355_100010221043 [1,1,0,0,0,0|1,0,0]=3 4515 B10R1.10 Oc1cccc(c1)NCF 34a_100000210217_100015361967 [1,1,0,0,0,0|2,0,0]=4 4516 B10R1.10 Oc1cccc(c1)SCF 62a_100015361967_100000211634 [1,1,0,0,0,0|1,1,0]=4 4517 B10R1.10 [13CH3]NCc1cccc(c1)Br 2230a_100000174977_200025704644 [1,1,0,0,0,0|2,0,0]=4 4518 B10R1.10 [13CH3]NCc1cccc(c1)Br 34a_100000174977_200025704644 [1,1,0,0,0,0|2,0,0]=4 4519 B10R1.10 [13CH3]NCc1cccc(c1)Cl 2230a_100000174878_200025704644 [1,1,0,0,0,0|2,0,0]=4 4520 B10R1.10 [13CH3]NCc1cccc(c1)Cl 34a_100000174878_200025704644 [1,1,0,0,0,0|2,0,0]=4 4521 B10R1.10 [13CH3]NCc1cccc(c1)F 2230a_100000174948_200025704644 [1,1,0,0,0,0|2,0,0]=4 4522 B10R1.10 [13CH3]NCc1cccc(c1)F 34a_100000174948_200025704644 [1,1,0,0,0,0|2,0,0]=4 4523 B10R1.10 [13CH3]NCc1cccc(c1)I 2230a_100000106179_200025704644 [1,1,0,0,0,0|2,0,0]=4 4524 B10R1.10 [13CH3]NCc1cccc(c1)I 34a_100000106179_200025704644 [1,1,0,0,0,0|2,0,0]=4 4525 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [1,1,0,0,0,0|2,0,0]=4 4526 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [1,1,0,0,0,0|2,0,0]=4 4527 B10R1.10 [13CH3]OCc1cccc(c1)Br 34a_100000687537_200025704644 [1,1,0,0,0,0|2,0,0]=4 4528 B10R1.10 [13CH3]OCc1cccc(c1)Br 7a_100000687537_200025704644 [1,1,0,0,0,0|2,0,0]=4 4529 B10R1.10 [13CH3]OCc1cccc(c1)Cl 34a_100000241301_200025704644 [1,1,0,0,0,0|2,0,0]=4 4530 B10R1.10 [13CH3]OCc1cccc(c1)Cl 7a_100000241301_200025704644 [1,1,0,0,0,0|2,0,0]=4 4531 B10R1.10 [13CH3]OCc1cccc(c1)F 34a_100000210976_200025704644 [1,1,0,0,0,0|2,0,0]=4 4532 B10R1.10 [13CH3]OCc1cccc(c1)F 7a_100000210976_200025704644 [1,1,0,0,0,0|2,0,0]=4 4533 B10R1.10 [13CH3]OCc1cccc(c1)I 34a_100011215336_200025704644 [1,1,0,0,0,0|2,0,0]=4 4534 B10R1.10 [13CH3]OCc1cccc(c1)I 7a_100011215336_200025704644 [1,1,0,0,0,0|2,0,0]=4 4535 B10R1.10 [13CH3]OCc1cccc(c1)N 34a_100000211919_200025704644 [1,1,0,0,0,0|2,0,0]=4 4536 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_100000211773_200025704644 [1,1,0,0,0,0|2,0,0]=4 4537 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_200025704644_100000211773 [1,1,0,0,0,0|2,0,0]=4 4538 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_100000187163_200025704644 [1,1,0,0,0,0|2,0,0]=4 4539 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_200025704644_100000187163 [1,1,0,0,0,0|2,0,0]=4 4540 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_100000230114_200025704644 [1,1,0,0,0,0|2,0,0]=4 4541 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_200025704644_100000230114 [1,1,0,0,0,0|2,0,0]=4 4542 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_100011218688_200025704644 [1,1,0,0,0,0|2,0,0]=4 4543 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_200025704644_100011218688 [1,1,0,0,0,0|2,0,0]=4 4544 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_100011660834_200025704644 [1,1,0,0,0,0|2,0,0]=4 4545 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_200025704644_100011660834 [1,1,0,0,0,0|2,0,0]=4 4546 B10R1.10 [O-][n+]1cccc(c1)OCF 34a_100000039713_100015361967 [1,1,0,0,0,0|2,0,0]=4 4547 B10R1.10 [O-][n+]1cccc(c1)OCF 7a_100000039713_100015361967 [1,1,0,0,0,0|2,0,0]=4 4548 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,1,0,0,0,0|2,0,0]=4 4549 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,1,0,0,0,0|2,0,0]=4 4550 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,1,0,0,0,0|1,0,0]=3 4551 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [1,1,0,0,0,0|1,0,0]=3 4552 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [1,1,0,0,0,0|1,0,0]=3 4553 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [1,1,0,0,0,0|1,0,0]=3 4554 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [1,1,0,0,0,0|1,0,0]=3 4555 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [1,1,0,0,0,0|1,0,0]=3 4556 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [1,1,0,0,0,0|1,0,0]=3 4557 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [1,1,0,0,0,0|1,0,0]=3 4558 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [1,1,0,0,0,0|1,0,0]=3 4559 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [1,1,0,0,0,0|1,0,0]=3 4560 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [1,1,0,0,0,0|2,0,0]=4 4561 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [1,1,0,0,0,0|2,0,0]=4 4562 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,1,0,0,0,0|2,0,0]=4 4563 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,1,0,0,0,0|2,0,0]=4 4564 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,1,0,0,0,0|2,0,0]=4 4565 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,1,0,0,0,0|2,0,0]=4 4566 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,1,0,0,0,0|2,0,0]=4 4567 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,1,0,0,0,0|2,0,0]=4 4568 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,1,0,0,0,0|2,0,0]=4 4569 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,1,0,0,0,0|2,0,0]=4 4570 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,1,0,0,0,0|2,0,0]=4 4571 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,1,0,0,0,0|2,0,0]=4 4572 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,1,0,0,0,0|2,0,0]=4 4573 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,1,0,0,0,0|2,0,0]=4 4574 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,1,0,0,0,0|2,0,0]=4 4575 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,1,0,0,0,0|2,0,0]=4 4576 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,1,0,0,0,0|2,0,0]=4 4577 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,1,0,0,0,0|2,0,0]=4 4578 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,1,0,0,0,0|2,0,0]=4 4579 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [1,1,0,0,0,0|1,0,1]=4 4580 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,1,0,0,0,0|1,0,1]=4 4581 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,1,0,0,0,0|0,0,2]=4 4582 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,1,0,0,0,0|1,0,1]=4 4583 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,1,0,0,0,0|1,0,1]=4 4584 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,1,0,0,0,0|1,0,1]=4 4585 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,1,0,0,0,0|1,0,1]=4 4586 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [1,1,0,0,0,0|1,0,0]=3 4587 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [1,1,0,0,0,0|0,0,0]=2 4588 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [1,1,0,0,0,0|0,0,0]=2 4589 B10R1.18 CC(C)Oc1cccnc1 34a_100000210849_100000210206 [1,1,0,0,0,0|1,0,0]=3 4590 B10R1.18 CC(C)Oc1cccnc1 7a_100000210849_100000210206 [1,1,0,0,0,0|1,0,0]=3 4591 B10R1.18 CC(C)Oc1ccncc1 34a_100000212176_100000210206 [1,1,0,0,0,0|1,0,0]=3 4592 B10R1.18 CC(C)Oc1ccnnc1 34a_100015204005_100000210206 [1,1,0,0,0,0|2,0,0]=4 4593 B10R1.18 CC(C)Oc1cncnc1 7a_100000754086_100000210206 [1,1,0,0,0,0|2,0,0]=4 4594 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [1,1,0,0,0,0|0,1,0]=3 4595 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [1,1,0,0,0,0|0,1,0]=3 4596 B10R1.18 CC(C)Sc1ccccn1 62a_100000210206_100011216584 [1,1,0,0,0,0|1,1,0]=4 4597 B10R1.18 CC(C)Sc1ccccn1 62a_100011216584_100000210206 [1,1,0,0,0,0|1,1,0]=4 4598 B10R1.18 CC(C)Sc1cccnc1 62a_100000210063_100000210206 [1,1,0,0,0,0|1,1,0]=4 4599 B10R1.18 CC(C)Sc1cccnc1 62a_100000210206_100000210063 [1,1,0,0,0,0|1,1,0]=4 4600 B10R1.18 CC(C)Sc1ccncc1 62a_100000210206_100000728582 [1,1,0,0,0,0|1,1,0]=4 4601 B10R1.18 CC(C)Sc1ccncc1 62a_100000728582_100000210206 [1,1,0,0,0,0|1,1,0]=4 4602 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,1,0,0,0,0|2,0,0]=4 4603 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,1,0,0,0,0|2,0,0]=4 4604 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,1,0,0,0,0|2,0,0]=4 4605 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,1,0,0,0,0|2,0,0]=4 4606 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,1,0,0,0,0|2,0,0]=4 4607 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,1,0,0,0,0|2,0,0]=4 4608 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,1,0,0,0,0|2,0,0]=4 4609 B10R1.16 Cc1cc(cs1)SCCO 62a_100000211926_100000759034 [0,1,0,0,1,0|1,1,0]=4 4610 B10R1.16 Cc1cc(cs1)SCCO 62a_100000759034_100000211926 [0,1,0,0,1,0|1,1,0]=4 4611 B10R1.16 Cc1ccc(s1)SCCO 62a_100000031368_100000211926 [0,1,0,0,1,0|1,1,0]=4 4612 B10R1.16 Cc1ccc(s1)SCCO 62a_100000211926_100000031368 [0,1,0,0,1,0|1,1,0]=4 4613 B10R1.16 Cc1csc(c1)SCCO 62a_100000211926_100009876951 [0,1,0,0,1,0|1,1,0]=4 4614 B10R1.16 Cc1csc(c1)SCCO 62a_100009876951_100000211926 [0,1,0,0,1,0|1,1,0]=4 4615 B10R1.16 Cn1cc(cn1)OCCO 34a_100000707646_100000211926 [0,1,0,0,1,0|2,0,0]=4 4616 B10R1.16 Cn1ccc(n1)OCCO 34a_100012642153_100000211926 [0,1,0,0,1,0|2,0,0]=4 4617 B10R1.16 OCCSc1ccc(s1)Br 62a_100000211926_100010197418 [0,1,0,0,1,0|1,1,0]=4 4618 B10R1.16 OCCSc1ccc(s1)Br 62a_100010197418_100000211926 [0,1,0,0,1,0|1,1,0]=4 4619 B10R1.21 BrCCOCc1ccsc1 34a_100000211926_100011261437 [0,1,0,0,1,0|2,0,0]=4 4620 B10R1.21 C#CCCOc1ccsc1 34a_100000106738_100000688953 [0,1,0,0,1,0|2,0,0]=4 4621 B10R1.21 C#CCCOc1ccsc1 7a_100000106738_100000688953 [0,1,0,0,1,0|2,0,0]=4 4622 B10R1.21 C=CCCOc1ccsc1 34a_100000106738_100000754431 [0,1,0,0,1,0|2,0,0]=4 4623 B10R1.21 C=CCCOc1ccsc1 7a_100000106738_100000754431 [0,1,0,0,1,0|2,0,0]=4 4624 B10R1.21 CCCCOc1ccsc1 34a_100000106738_100000210210 [0,1,0,0,1,0|2,0,0]=4 4625 B10R1.21 CCCCOc1ccsc1 7a_100000106738_100000210211 [0,1,0,0,1,0|2,0,0]=4 4626 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [0,1,0,0,1,0|2,0,0]=4 4627 B10R1.21 CCCOCc1cccs1 34a_100000211240_100000210303 [0,1,0,0,1,0|2,0,0]=4 4628 B10R1.21 CCCOCc1ccoc1 34a_100011215357_100000210303 [0,1,0,0,1,0|2,0,0]=4 4629 B10R1.21 CCCOCc1ccsc1 34a_100000210258_100011261437 [0,1,0,0,1,0|2,0,0]=4 4630 B10R1.21 CCCOCc1ccsc1 34a_100011215551_100000210303 [0,1,0,0,1,0|2,0,0]=4 4631 B10R1.21 COCCCc1cccs1 34a_100011713143_200000210301 [0,1,0,0,1,0|2,0,0]=4 4632 B10R1.21 COCCCc1cccs1 34a_100138415774_100010992444 [0,1,0,0,1,0|2,0,0]=4 4633 B10R1.21 COCCCc1cccs1 7a_100011713143_200000210301 [0,1,0,0,1,0|2,0,0]=4 4634 B10R1.21 COCCCc1ccsc1 34a_200000699776_200000210301 [0,1,0,0,1,0|2,0,0]=4 4635 B10R1.21 COCCCc1ccsc1 7a_200000699776_200000210301 [0,1,0,0,1,0|2,0,0]=4 4636 B10R1.21 COCCCn1cccc1 34a_100000179399_200000210301 [0,1,0,0,1,0|2,0,0]=4 4637 B10R1.21 COCCCn1cccc1 34a_100138415774_200009814367 [0,1,0,0,1,0|2,0,0]=4 4638 B10R1.21 COCCCn1cccc1 7a_100000179399_200000210301 [0,1,0,0,1,0|2,0,0]=4 4639 B10R1.21 COCCOc1ccsc1 34a_100000106738_100011201679 [0,1,0,0,1,0|1,0,0]=3 4640 B10R1.21 COCCOc1ccsc1 7a_100000106738_100000233755 [0,1,0,0,1,0|1,0,0]=3 4641 B10R1.21 COCCSc1ccco1 62a_100000233755_100009814098 [0,1,0,0,1,0|1,1,0]=4 4642 B10R1.21 COCCSc1ccco1 62a_100009814098_100000233755 [0,1,0,0,1,0|1,1,0]=4 4643 B10R1.21 COCCSc1cccs1 62a_100000233755_100011215356 [0,1,0,0,1,0|1,1,0]=4 4644 B10R1.21 COCCSc1cccs1 62a_100011215356_100000233755 [0,1,0,0,1,0|1,1,0]=4 4645 B10R1.21 COCCSc1ccoc1 62a_100000233755_100011215275 [0,1,0,0,1,0|1,1,0]=4 4646 B10R1.21 COCCSc1ccoc1 62a_100011215275_100000233755 [0,1,0,0,1,0|1,1,0]=4 4647 B10R1.21 COCCSc1ccsc1 62a_100000233755_100000738268 [0,1,0,0,1,0|1,1,0]=4 4648 B10R1.21 COCCSc1ccsc1 62a_100000738268_100000233755 [0,1,0,0,1,0|1,1,0]=4 4649 B10R1.21 CSCCOc1ccsc1 34a_100000106738_100000212216 [0,1,0,0,1,0|1,1,0]=4 4650 B10R1.21 CSCCOc1ccsc1 7a_100000106738_100000212216 [0,1,0,0,1,0|1,1,0]=4 4651 B10R1.21 FCCCOc1ccsc1 34a_100000106738_100011934791 [0,1,0,0,1,0|2,0,0]=4 4652 B10R1.21 FCCCOc1ccsc1 7a_100000106738_100011934791 [0,1,0,0,1,0|2,0,0]=4 4653 B10R1.21 FCCOCc1ccco1 34a_100000210059_100011217306 [0,1,0,0,1,0|2,0,0]=4 4654 B10R1.21 FCCOCc1cccs1 34a_100000211240_100011217306 [0,1,0,0,1,0|2,0,0]=4 4655 B10R1.21 FCCOCc1ccoc1 34a_100011215357_100011217306 [0,1,0,0,1,0|2,0,0]=4 4656 B10R1.21 FCCOCc1ccsc1 34a_100011215551_100011217306 [0,1,0,0,1,0|2,0,0]=4 4657 B10R1.21 N#CCCOc1ccsc1 7a_100000106738_100000184422 [0,1,0,0,1,0|2,0,0]=4 4658 B10R1.21 NCCOCc1ccsc1 34a_100000210304_100011261437 [0,1,0,0,1,0|2,0,0]=4 4659 B10R1.21 OCCCOc1ccsc1 34a_100000106738_100000230001 [0,1,0,0,1,0|1,0,0]=3 4660 B10R1.21 OCCCOc1ccsc1 7a_100000106738_100011215043 [0,1,0,0,1,0|1,0,0]=3 4661 B10R1.21 OCCCSc1ccco1 62a_100009814098_100011215043 [0,1,0,0,1,0|1,1,0]=4 4662 B10R1.21 OCCCSc1ccco1 62a_100011215043_100009814098 [0,1,0,0,1,0|1,1,0]=4 4663 B10R1.21 OCCCSc1cccs1 62a_100011215043_100011215356 [0,1,0,0,1,0|1,1,0]=4 4664 B10R1.21 OCCCSc1cccs1 62a_100011215356_100011215043 [0,1,0,0,1,0|1,1,0]=4 4665 B10R1.21 OCCCSc1ccoc1 62a_100011215043_100011215275 [0,1,0,0,1,0|1,1,0]=4 4666 B10R1.21 OCCCSc1ccoc1 62a_100011215275_100011215043 [0,1,0,0,1,0|1,1,0]=4 4667 B10R1.21 OCCCSc1ccsc1 62a_100000738268_100011215043 [0,1,0,0,1,0|1,1,0]=4 4668 B10R1.21 OCCCSc1ccsc1 62a_100011215043_100000738268 [0,1,0,0,1,0|1,1,0]=4 4669 B10R1.21 OCCNCc1ccco1 207a_100000210304_100000186105 [0,1,0,0,1,0|2,0,0]=4 4670 B10R1.21 OCCNCc1ccco1 2230a_100000185738_100000211926 [0,1,0,0,1,0|2,0,0]=4 4671 B10R1.21 OCCNCc1ccco1 270004a_100000210304_100000186105 [0,1,0,0,1,0|2,0,0]=4 4672 B10R1.21 OCCNCc1ccco1 34a_100000185738_100000211926 [0,1,0,0,1,0|2,0,0]=4 4673 B10R1.21 OCCNCc1cccs1 207a_100000210304_100000209959 [0,1,0,0,1,0|2,0,0]=4 4674 B10R1.21 OCCNCc1cccs1 2230a_100000211653_100000211926 [0,1,0,0,1,0|2,0,0]=4 4675 B10R1.21 OCCNCc1cccs1 270004a_100000210304_100000209959 [0,1,0,0,1,0|2,0,0]=4 4676 B10R1.21 OCCNCc1ccoc1 207a_100000210304_100011215517 [0,1,0,0,1,0|2,0,0]=4 4677 B10R1.21 OCCNCc1ccoc1 2230a_100015206860_100000211926 [0,1,0,0,1,0|2,0,0]=4 4678 B10R1.21 OCCNCc1ccoc1 270004a_100000210304_100011215517 [0,1,0,0,1,0|2,0,0]=4 4679 B10R1.21 OCCNCc1ccoc1 34a_100015206860_100000211926 [0,1,0,0,1,0|2,0,0]=4 4680 B10R1.21 OCCNCc1ccsc1 207a_100000210304_100000188534 [0,1,0,0,1,0|2,0,0]=4 4681 B10R1.21 OCCNCc1ccsc1 2230a_100000186416_100000211926 [0,1,0,0,1,0|2,0,0]=4 4682 B10R1.21 OCCNCc1ccsc1 2230a_100016997473_100011261437 [0,1,0,0,1,0|2,0,0]=4 4683 B10R1.21 OCCNCc1ccsc1 270004a_100000210304_100000188534 [0,1,0,0,1,0|2,0,0]=4 4684 B10R1.21 OCCNCc1ccsc1 34a_100000186416_100000211926 [0,1,0,0,1,0|2,0,0]=4 4685 B10R1.21 OCCNCc1ccsc1 34a_100016990907_100011261437 [0,1,0,0,1,0|2,0,0]=4 4686 B10R1.21 OCCOCc1ccco1 34a_100000210059_100000211926 [0,1,0,0,1,0|1,0,0]=3 4687 B10R1.21 OCCOCc1cccs1 34a_100000211240_100000211926 [0,1,0,0,1,0|1,0,0]=3 4688 B10R1.21 OCCOCc1ccno1 34a_100000740478_100000211926 [0,1,0,0,1,0|2,0,0]=4 4689 B10R1.21 OCCOCc1ccoc1 34a_100011215357_100000211926 [0,1,0,0,1,0|1,0,0]=3 4690 B10R1.21 OCCOCc1ccsc1 34a_100011215551_100000211926 [0,1,0,0,1,0|1,0,0]=3 4691 B10R1.21 OCCOCc1ncco1 34a_100000062594_100000211926 [0,1,0,0,1,0|2,0,0]=4 4692 B10R1.21 OCCOCn1cccn1 34a_100000731028_100000211926 [0,1,0,0,1,0|2,0,0]=4 4693 B10R1.21 OCCSCc1ccsc1 62a_100000211926_100011233845 [0,1,0,0,1,0|1,1,0]=4 4694 B10R1.21 OCCSCc1ccsc1 62a_100011261437_100000211926 [0,1,0,0,1,0|1,1,0]=4 4695 B10R1.21 [13CH3]OCCCc1cccs1 34a_100011713143_200025704644 [0,1,0,0,1,0|2,0,0]=4 4696 B10R1.21 [13CH3]OCCCc1cccs1 7a_100011713143_200025704644 [0,1,0,0,1,0|2,0,0]=4 4697 B10R1.21 [13CH3]OCCCc1ccsc1 34a_200000699776_200025704644 [0,1,0,0,1,0|2,0,0]=4 4698 B10R1.21 [13CH3]OCCCc1ccsc1 7a_200000699776_200025704644 [0,1,0,0,1,0|2,0,0]=4 4699 B10R1.21 [13CH3]OCCCn1cccc1 34a_100000179399_200025704644 [0,1,0,0,1,0|2,0,0]=4 4700 B10R1.21 [13CH3]OCCCn1cccc1 7a_100000179399_200025704644 [0,1,0,0,1,0|2,0,0]=4 4701 B10R1.27 CC(CO)Oc1ccsc1 34a_100000106738_100012180447 [0,1,0,0,1,0|1,0,0]=3 4702 B10R1.27 CC(CO)Oc1ccsc1 7a_100000106738_100012180447 [0,1,0,0,1,0|1,0,0]=3 4703 B10R1.27 CC(CO)Sc1ccco1 62a_100012180447_100009814098 [0,1,0,0,1,0|1,1,0]=4 4704 B10R1.27 CC(CO)Sc1cccs1 62a_100012180447_100011215356 [0,1,0,0,1,0|1,1,0]=4 4705 B10R1.27 CC(CO)Sc1ccoc1 62a_100012180447_100011215275 [0,1,0,0,1,0|1,1,0]=4 4706 B10R1.27 CC(CO)Sc1ccsc1 62a_100012180447_100000738268 [0,1,0,0,1,0|1,1,0]=4 4707 B10R1.27 CCC(C)Oc1ccsc1 34a_100000106738_100011215416 [0,1,0,0,1,0|2,0,0]=4 4708 B10R1.27 CCC(C)Oc1ccsc1 7a_100000106738_100000758301 [0,1,0,0,1,0|2,0,0]=4 4709 B10R1.27 C[C@H](CO)Sc1ccco1 62a_100009814098_100016084084 [0,1,0,0,1,0|1,1,0]=4 4710 B10R1.27 C[C@H](CO)Sc1ccco1 62a_100016084084_100009814098 [0,1,0,0,1,0|1,1,0]=4 4711 B10R1.27 C[C@H](CO)Sc1cccs1 62a_100011215356_100016084084 [0,1,0,0,1,0|1,1,0]=4 4712 B10R1.27 C[C@H](CO)Sc1cccs1 62a_100016084084_100011215356 [0,1,0,0,1,0|1,1,0]=4 4713 B10R1.27 C[C@H](CO)Sc1ccoc1 62a_100011215275_100016084084 [0,1,0,0,1,0|1,1,0]=4 4714 B10R1.27 C[C@H](CO)Sc1ccoc1 62a_100016084084_100011215275 [0,1,0,0,1,0|1,1,0]=4 4715 B10R1.27 C[C@H](CO)Sc1ccsc1 62a_100000738268_100016084084 [0,1,0,0,1,0|1,1,0]=4 4716 B10R1.27 C[C@H](CO)Sc1ccsc1 62a_100016084084_100000738268 [0,1,0,0,1,0|1,1,0]=4 4717 B10R1.29 Cc1ccsc1SCCO 62a_100000211926_100010247149 [0,1,0,0,1,0|1,1,0]=4 4718 B10R1.29 Cc1ccsc1SCCO 62a_100010247149_100000211926 [0,1,0,0,1,0|1,1,0]=4 4719 B10R1.29 Cc1cscc1SCCO 62a_100000211926_100000759966 [0,1,0,0,1,0|1,1,0]=4 4720 B10R1.29 Cc1cscc1SCCO 62a_100000759966_100000211926 [0,1,0,0,1,0|1,1,0]=4 4721 B10R1.29 Cc1sccc1SCCO 62a_100000211926_100000684487 [0,1,0,0,1,0|1,1,0]=4 4722 B10R1.29 Cc1sccc1SCCO 62a_100000684487_100000211926 [0,1,0,0,1,0|1,1,0]=4 4723 B10R1.29 Cn1nccc1OCCO 34a_100020632926_100000211926 [0,1,0,0,1,0|2,0,0]=4 4724 B10R1.29 OCCSc1cscc1Br 62a_100000211926_100010143727 [0,1,0,0,1,0|1,1,0]=4 4725 B10R1.29 OCCSc1cscc1Br 62a_100010143727_100000211926 [0,1,0,0,1,0|1,1,0]=4 4726 B10R1.29 OCCSc1sccc1Br 62a_100000211926_100012361411 [0,1,0,0,1,0|1,1,0]=4 4727 B10R1.29 OCCSc1sccc1Br 62a_100012361411_100000211926 [0,1,0,0,1,0|1,1,0]=4 4728 B10R1.66 CC(C)COc1ccsc1 34a_100000106738_100000210624 [0,1,0,0,1,0|2,0,0]=4 4729 B10R1.66 CC(C)COc1ccsc1 7a_100000106738_100000210760 [0,1,0,0,1,0|2,0,0]=4 4730 B10R1.66 CC(O)COc1ccsc1 34a_100000106738_100011218427 [0,1,0,0,1,0|1,0,0]=3 4731 B10R1.66 CC(O)COc1ccsc1 7a_100000106738_100011218427 [0,1,0,0,1,0|1,0,0]=3 4732 B10R1.66 CC(O)CSc1ccco1 62a_100009814098_100011218427 [0,1,0,0,1,0|1,1,0]=4 4733 B10R1.66 CC(O)CSc1ccco1 62a_100011218427_100009814098 [0,1,0,0,1,0|1,1,0]=4 4734 B10R1.66 CC(O)CSc1cccs1 62a_100011215356_100011218427 [0,1,0,0,1,0|1,1,0]=4 4735 B10R1.66 CC(O)CSc1cccs1 62a_100011218427_100011215356 [0,1,0,0,1,0|1,1,0]=4 4736 B10R1.66 CC(O)CSc1ccoc1 62a_100011215275_100011218427 [0,1,0,0,1,0|1,1,0]=4 4737 B10R1.66 CC(O)CSc1ccoc1 62a_100011218427_100011215275 [0,1,0,0,1,0|1,1,0]=4 4738 B10R1.66 CC(O)CSc1ccsc1 62a_100000738268_100011218427 [0,1,0,0,1,0|1,1,0]=4 4739 B10R1.66 CC(O)CSc1ccsc1 62a_100011218427_100000738268 [0,1,0,0,1,0|1,1,0]=4 4740 B10R1.66 C[C@@H](O)COc1ccsc1 34a_100000106738_100009817552 [0,1,0,0,1,0|1,0,0]=3 4741 B10R1.66 C[C@@H](O)COc1ccsc1 7a_100000106738_100009817552 [0,1,0,0,1,0|1,0,0]=3 4742 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009814098_100009817552 [0,1,0,0,1,0|1,1,0]=4 4743 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009817552_100009814098 [0,1,0,0,1,0|1,1,0]=4 4744 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100009817552_100011215356 [0,1,0,0,1,0|1,1,0]=4 4745 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100011215356_100009817552 [0,1,0,0,1,0|1,1,0]=4 4746 B10R1.66 C[C@@H](O)CSc1ccoc1 62a_100009817552_100011215275 [0,1,0,0,1,0|1,1,0]=4 4747 B10R1.66 C[C@@H](O)CSc1ccoc1 62a_100011215275_100009817552 [0,1,0,0,1,0|1,1,0]=4 4748 B10R1.66 C[C@@H](O)CSc1ccsc1 62a_100000738268_100009817552 [0,1,0,0,1,0|1,1,0]=4 4749 B10R1.66 C[C@@H](O)CSc1ccsc1 62a_100009817552_100000738268 [0,1,0,0,1,0|1,1,0]=4 4750 B10R1.66 FC(F)COc1ccsc1 34a_100000106738_100011934356 [0,1,0,0,1,0|2,0,0]=4 4751 B10R1.66 FC(F)COc1ccsc1 7a_100000106738_100011934356 [0,1,0,0,1,0|2,0,0]=4 4752 B12R1.18 C#CCOc1cccccc1=O 34a_100000036025_100000184674 [0,1,0,0,0,1|1,0,1]=4 4753 B12R1.18 C#CCOc1cccccc1=O 7a_100000036025_100000038162 [0,1,0,0,0,1|1,0,1]=4 4754 B12R1.18 C=CCOc1cccccc1=O 34a_100000036025_100015514636 [0,1,0,0,0,1|1,0,1]=4 4755 B12R1.18 C=CCOc1cccccc1=O 7a_100000036025_100015514636 [0,1,0,0,0,1|1,0,1]=4 4756 B12R1.18 CCCOc1cccccc1=O 34a_100000036025_100000210303 [0,1,0,0,0,1|1,0,0]=3 4757 B12R1.18 CCCOc1cccccc1=O 7a_100000036025_100000210303 [0,1,0,0,0,1|1,0,0]=3 4758 B12R1.18 CSCOc1cccccc1=O 34a_100000036025_100011218213 [0,1,0,0,0,1|2,0,0]=4 4759 B12R1.18 N#CCOc1cccccc1=O 7a_100000036025_100011215382 [0,1,0,0,0,1|1,0,1]=4 4760 B12R1.18 O=CCOc1cccccc1=O 34a_100000036025_200009817547 [0,1,0,0,0,1|0,0,2]=4 4761 B12R1.18 O=CCOc1cccccc1=O 7a_100000036025_200015260668 [0,1,0,0,0,1|0,0,2]=4 4762 B12R1.18 O=c1cccccc1OCCF 34a_100000036025_100011217306 [0,1,0,0,0,1|1,0,0]=3 4763 B12R1.18 O=c1cccccc1OCCF 7a_100000036025_100011217306 [0,1,0,0,0,1|1,0,0]=3 4764 B12R1.18 O=c1cccccc1OCCO 34a_100000036025_100000211926 [0,1,0,0,0,1|0,0,0]=2 4765 B12R1.18 O=c1cccccc1OCCO 7a_100000036025_100000211926 [0,1,0,0,0,1|0,0,0]=2 4766 B12R1.1 BrCCOCc1ccc(cc1)Br 34a_100000211926_100000189115 [0,2,0,0,0,0|1,0,0]=3 4767 B12R1.1 BrCCOCc1ccc(cc1)I 34a_100000211926_100000189116 [0,2,0,0,0,0|1,0,0]=3 4768 B12R1.1 BrCCOCc1ccc(cn1)Br 34a_100000211926_100000702658 [0,2,0,0,0,0|2,0,0]=4 4769 B12R1.1 BrCCOCc1ccc(nc1)Br 34a_100000211926_100009831999 [0,2,0,0,0,0|2,0,0]=4 4770 B12R1.1 C#CCCNc1ccc(cc1)Br 2230a_100000210018_100000688953 [0,2,0,0,0,0|2,0,0]=4 4771 B12R1.1 C#CCCNc1ccc(cc1)Br 34a_100000210018_100000688953 [0,2,0,0,0,0|2,0,0]=4 4772 B12R1.1 C#CCCNc1ccc(cc1)C 34a_100000124888_100000688953 [0,2,0,0,0,0|2,0,0]=4 4773 B12R1.1 C#CCCNc1ccc(cc1)Cl 2230a_100000210052_100000688953 [0,2,0,0,0,0|2,0,0]=4 4774 B12R1.1 C#CCCNc1ccc(cc1)Cl 34a_100000210052_100000688953 [0,2,0,0,0,0|2,0,0]=4 4775 B12R1.1 C#CCCNc1ccc(cc1)F 34a_100000185862_100000688953 [0,2,0,0,0,0|2,0,0]=4 4776 B12R1.1 C#CCCNc1ccc(cc1)I 34a_100000185761_100000688953 [0,2,0,0,0,0|2,0,0]=4 4777 B12R1.1 C#CCCNc1ccc(cc1)O 34a_100000185829_100000688953 [0,2,0,0,0,0|2,0,0]=4 4778 B12R1.1 C#CCCOc1ccc(=O)[nH]c1 34a_100000075641_100000688953 [0,2,0,0,0,0|2,0,0]=4 4779 B12R1.1 C#CCCOc1ccc(cc1)Br 34a_100000185759_100000688953 [0,2,0,0,0,0|1,0,0]=3 4780 B12R1.1 C#CCCOc1ccc(cc1)Br 7a_100000185759_100000688953 [0,2,0,0,0,0|1,0,0]=3 4781 B12R1.1 C#CCCOc1ccc(cc1)C 34a_100000210336_100000688953 [0,2,0,0,0,0|1,0,0]=3 4782 B12R1.1 C#CCCOc1ccc(cc1)C 7a_100000210336_100000688953 [0,2,0,0,0,0|1,0,0]=3 4783 B12R1.1 C#CCCOc1ccc(cc1)Cl 34a_100000210216_100000688953 [0,2,0,0,0,0|1,0,0]=3 4784 B12R1.1 C#CCCOc1ccc(cc1)Cl 7a_100000210216_100000688953 [0,2,0,0,0,0|1,0,0]=3 4785 B12R1.1 C#CCCOc1ccc(cc1)F 34a_100000210339_100000688953 [0,2,0,0,0,0|1,0,0]=3 4786 B12R1.1 C#CCCOc1ccc(cc1)I 34a_100000212066_100000688953 [0,2,0,0,0,0|1,0,0]=3 4787 B12R1.1 C#CCCOc1ccc(cc1)I 7a_100000212066_100000688953 [0,2,0,0,0,0|1,0,0]=3 4788 B12R1.1 C#CCCOc1ccc(cc1)N 34a_100000185829_100000688953 [0,2,0,0,0,0|1,0,0]=3 4789 B12R1.1 C#CCCOc1ccc(cn1)C 34a_100000759353_100000688953 [0,2,0,0,0,0|2,0,0]=4 4790 B12R1.1 C#CCCOc1ccc(cn1)Cl 34a_100011215309_100000688953 [0,2,0,0,0,0|2,0,0]=4 4791 B12R1.1 C#CCCOc1ccc(cn1)F 34a_100000742473_100000688953 [0,2,0,0,0,0|2,0,0]=4 4792 B12R1.1 C#CCCOc1ccc(cn1)N 34a_100000729260_100000688953 [0,2,0,0,0,0|2,0,0]=4 4793 B12R1.1 C#CCCOc1ccc(nc1)Br 34a_100000685995_100000688953 [0,2,0,0,0,0|2,0,0]=4 4794 B12R1.1 C#CCCOc1ccc(nc1)Br 7a_100000685995_100000688953 [0,2,0,0,0,0|2,0,0]=4 4795 B12R1.1 C#CCCOc1ccc(nc1)C 34a_100000745506_100000688953 [0,2,0,0,0,0|2,0,0]=4 4796 B12R1.1 C#CCCOc1ccc(nc1)C 7a_100000745506_100000688953 [0,2,0,0,0,0|2,0,0]=4 4797 B12R1.1 C#CCCOc1ccc(nc1)Cl 34a_100000744096_100000688953 [0,2,0,0,0,0|2,0,0]=4 4798 B12R1.1 C#CCCOc1ccc(nc1)Cl 7a_100000744096_100000688953 [0,2,0,0,0,0|2,0,0]=4 4799 B12R1.1 C#CCCOc1ccc(nc1)F 34a_100000688820_100000688953 [0,2,0,0,0,0|2,0,0]=4 4800 B12R1.1 C#CCCOc1ccc(nc1)F 7a_100000688820_100000688953 [0,2,0,0,0,0|2,0,0]=4 4801 B12R1.1 C#CCCOc1ccc(nc1)I 34a_100000687607_100000688953 [0,2,0,0,0,0|2,0,0]=4 4802 B12R1.1 C#CCCOc1ccc(nc1)I 7a_100000687607_100000688953 [0,2,0,0,0,0|2,0,0]=4 4803 B12R1.1 C#CCCOc1ccc(nc1)N 34a_100015188713_100000688953 [0,2,0,0,0,0|2,0,0]=4 4804 B12R1.1 C#CCCOc1ccc(nc1)N 7a_100015188713_100000688953 [0,2,0,0,0,0|2,0,0]=4 4805 B12R1.1 C#CCCSc1ccc(cc1)Br 62a_100000688953_100000752885 [0,2,0,0,0,0|1,1,0]=4 4806 B12R1.1 C#CCCSc1ccc(cc1)Br 62a_100000752885_100000688953 [0,2,0,0,0,0|1,1,0]=4 4807 B12R1.1 C#CCCSc1ccc(cc1)C 62a_100000186775_100000688953 [0,2,0,0,0,0|1,1,0]=4 4808 B12R1.1 C#CCCSc1ccc(cc1)C 62a_100000688953_100000186775 [0,2,0,0,0,0|1,1,0]=4 4809 B12R1.1 C#CCCSc1ccc(cc1)Cl 62a_100000688953_100000755918 [0,2,0,0,0,0|1,1,0]=4 4810 B12R1.1 C#CCCSc1ccc(cc1)Cl 62a_100000755918_100000688953 [0,2,0,0,0,0|1,1,0]=4 4811 B12R1.1 C#CCCSc1ccc(cc1)F 62a_100000211213_100000688953 [0,2,0,0,0,0|1,1,0]=4 4812 B12R1.1 C#CCCSc1ccc(cc1)F 62a_100000688953_100000211213 [0,2,0,0,0,0|1,1,0]=4 4813 B12R1.1 C#CCCSc1ccc(cc1)N 62a_100000185761_100000688953 [0,2,0,0,0,0|1,1,0]=4 4814 B12R1.1 C#CCCSc1ccc(cc1)N 62a_100000688953_100000185761 [0,2,0,0,0,0|1,1,0]=4 4815 B12R1.1 C#CCCSc1ccc(cc1)O 62a_100000688953_100000185759 [0,2,0,0,0,0|1,1,0]=4 4816 B12R1.1 C#CCOCc1ccc(cc1)Br 34a_100000210247_100000189115 [0,2,0,0,0,0|1,0,1]=4 4817 B12R1.1 C#CCOCc1ccc(cc1)Br 34a_100000695286_100000184674 [0,2,0,0,0,0|1,0,1]=4 4818 B12R1.1 C#CCOCc1ccc(cc1)C 34a_100000210247_100000210814 [0,2,0,0,0,0|1,0,1]=4 4819 B12R1.1 C#CCOCc1ccc(cc1)C 34a_100011215236_100000184674 [0,2,0,0,0,0|1,0,1]=4 4820 B12R1.1 C#CCOCc1ccc(cc1)C 7a_100011215236_100000038162 [0,2,0,0,0,0|1,0,1]=4 4821 B12R1.1 C#CCOCc1ccc(cc1)Cl 34a_100000210247_100000694040 [0,2,0,0,0,0|1,0,1]=4 4822 B12R1.1 C#CCOCc1ccc(cc1)Cl 34a_100000211118_100000184674 [0,2,0,0,0,0|1,0,1]=4 4823 B12R1.1 C#CCOCc1ccc(cc1)Cl 7a_100000211118_100000038162 [0,2,0,0,0,0|1,0,1]=4 4824 B12R1.1 C#CCOCc1ccc(cc1)F 34a_100000210247_100000198546 [0,2,0,0,0,0|1,0,1]=4 4825 B12R1.1 C#CCOCc1ccc(cc1)F 34a_100000210977_100000184674 [0,2,0,0,0,0|1,0,1]=4 4826 B12R1.1 C#CCOCc1ccc(cc1)F 7a_100000210977_100000038162 [0,2,0,0,0,0|1,0,1]=4 4827 B12R1.1 C#CCOCc1ccc(cc1)I 34a_100000210247_100000189116 [0,2,0,0,0,0|1,0,1]=4 4828 B12R1.1 C#CCOCc1ccc(cc1)I 34a_100000690907_100000184674 [0,2,0,0,0,0|1,0,1]=4 4829 B12R1.1 C#CCOCc1ccc(cc1)I 7a_100000690907_100000038162 [0,2,0,0,0,0|1,0,1]=4 4830 B12R1.1 C#CCOCc1ccc(cc1)N 34a_100011215238_100000184674 [0,2,0,0,0,0|1,0,1]=4 4831 B12R1.1 C/C=C/COc1ccc(cc1)Br 34a_100000185759_100102629194 [0,2,0,0,0,0|1,0,1]=4 4832 B12R1.1 C/C=C/COc1ccc(cc1)Br 7a_100000185759_100102629194 [0,2,0,0,0,0|1,0,1]=4 4833 B12R1.1 C/C=C/COc1ccc(cc1)C 34a_100000210336_100102629194 [0,2,0,0,0,0|1,0,1]=4 4834 B12R1.1 C/C=C/COc1ccc(cc1)C 7a_100000210336_100102629194 [0,2,0,0,0,0|1,0,1]=4 4835 B12R1.1 C/C=C/COc1ccc(cc1)Cl 34a_100000210216_100102629194 [0,2,0,0,0,0|1,0,1]=4 4836 B12R1.1 C/C=C/COc1ccc(cc1)Cl 7a_100000210216_100102629194 [0,2,0,0,0,0|1,0,1]=4 4837 B12R1.1 C/C=C/COc1ccc(cc1)F 34a_100000210339_100102629194 [0,2,0,0,0,0|1,0,1]=4 4838 B12R1.1 C/C=C/COc1ccc(cc1)I 34a_100000212066_100102629194 [0,2,0,0,0,0|1,0,1]=4 4839 B12R1.1 C/C=C/COc1ccc(cc1)I 7a_100000212066_100102629194 [0,2,0,0,0,0|1,0,1]=4 4840 B12R1.1 C/C=C/COc1ccc(cc1)N 34a_100000185829_100102629194 [0,2,0,0,0,0|1,0,1]=4 4841 B12R1.1 C=CCCNc1ccc(cc1)Br 2230a_100000210018_100000754431 [0,2,0,0,0,0|2,0,0]=4 4842 B12R1.1 C=CCCNc1ccc(cc1)Br 34a_100000210018_100000754431 [0,2,0,0,0,0|2,0,0]=4 4843 B12R1.1 C=CCCNc1ccc(cc1)C 34a_100000124888_100000754431 [0,2,0,0,0,0|2,0,0]=4 4844 B12R1.1 C=CCCNc1ccc(cc1)Cl 2230a_100000210052_100000754431 [0,2,0,0,0,0|2,0,0]=4 4845 B12R1.1 C=CCCNc1ccc(cc1)Cl 34a_100000210052_100000754431 [0,2,0,0,0,0|2,0,0]=4 4846 B12R1.1 C=CCCNc1ccc(cc1)F 34a_100000185862_100000754431 [0,2,0,0,0,0|2,0,0]=4 4847 B12R1.1 C=CCCNc1ccc(cc1)I 34a_100000185761_100000754431 [0,2,0,0,0,0|2,0,0]=4 4848 B12R1.1 C=CCCNc1ccc(cc1)O 34a_100000185829_100000754431 [0,2,0,0,0,0|2,0,0]=4 4849 B12R1.1 C=CCCOc1ccc(=O)[nH]c1 34a_100000075641_100000754431 [0,2,0,0,0,0|2,0,0]=4 4850 B12R1.1 C=CCCOc1ccc(cc1)Br 34a_100000185759_100000754431 [0,2,0,0,0,0|1,0,0]=3 4851 B12R1.1 C=CCCOc1ccc(cc1)Br 7a_100000185759_100000754431 [0,2,0,0,0,0|1,0,0]=3 4852 B12R1.1 C=CCCOc1ccc(cc1)C 34a_100000210336_100000754431 [0,2,0,0,0,0|1,0,0]=3 4853 B12R1.1 C=CCCOc1ccc(cc1)C 7a_100000210336_100000754431 [0,2,0,0,0,0|1,0,0]=3 4854 B12R1.1 C=CCCOc1ccc(cc1)Cl 34a_100000210216_100000754431 [0,2,0,0,0,0|1,0,0]=3 4855 B12R1.1 C=CCCOc1ccc(cc1)Cl 7a_100000210216_100000754431 [0,2,0,0,0,0|1,0,0]=3 4856 B12R1.1 C=CCCOc1ccc(cc1)F 34a_100000210339_100000754431 [0,2,0,0,0,0|1,0,0]=3 4857 B12R1.1 C=CCCOc1ccc(cc1)I 34a_100000212066_100000754431 [0,2,0,0,0,0|1,0,0]=3 4858 B12R1.1 C=CCCOc1ccc(cc1)I 7a_100000212066_100000754431 [0,2,0,0,0,0|1,0,0]=3 4859 B12R1.1 C=CCCOc1ccc(cc1)N 34a_100000185829_100000754431 [0,2,0,0,0,0|1,0,0]=3 4860 B12R1.1 C=CCCOc1ccc(cc1)O 271570a_203496583355_100012049633 [0,2,0,0,0,0|1,0,0]=3 4861 B12R1.1 C=CCCOc1ccc(cn1)C 34a_100000759353_100000754431 [0,2,0,0,0,0|2,0,0]=4 4862 B12R1.1 C=CCCOc1ccc(cn1)Cl 34a_100011215309_100000754431 [0,2,0,0,0,0|2,0,0]=4 4863 B12R1.1 C=CCCOc1ccc(cn1)F 34a_100000742473_100000754431 [0,2,0,0,0,0|2,0,0]=4 4864 B12R1.1 C=CCCOc1ccc(cn1)N 34a_100000729260_100000754431 [0,2,0,0,0,0|2,0,0]=4 4865 B12R1.1 C=CCCOc1ccc(nc1)Br 34a_100000685995_100000754431 [0,2,0,0,0,0|2,0,0]=4 4866 B12R1.1 C=CCCOc1ccc(nc1)Br 7a_100000685995_100000754431 [0,2,0,0,0,0|2,0,0]=4 4867 B12R1.1 C=CCCOc1ccc(nc1)C 34a_100000745506_100000754431 [0,2,0,0,0,0|2,0,0]=4 4868 B12R1.1 C=CCCOc1ccc(nc1)C 7a_100000745506_100000754431 [0,2,0,0,0,0|2,0,0]=4 4869 B12R1.1 C=CCCOc1ccc(nc1)Cl 34a_100000744096_100000754431 [0,2,0,0,0,0|2,0,0]=4 4870 B12R1.1 C=CCCOc1ccc(nc1)Cl 7a_100000744096_100000754431 [0,2,0,0,0,0|2,0,0]=4 4871 B12R1.1 C=CCCOc1ccc(nc1)F 34a_100000688820_100000754431 [0,2,0,0,0,0|2,0,0]=4 4872 B12R1.1 C=CCCOc1ccc(nc1)F 7a_100000688820_100000754431 [0,2,0,0,0,0|2,0,0]=4 4873 B12R1.1 C=CCCOc1ccc(nc1)I 34a_100000687607_100000754431 [0,2,0,0,0,0|2,0,0]=4 4874 B12R1.1 C=CCCOc1ccc(nc1)I 7a_100000687607_100000754431 [0,2,0,0,0,0|2,0,0]=4 4875 B12R1.1 C=CCCOc1ccc(nc1)N 34a_100015188713_100000754431 [0,2,0,0,0,0|2,0,0]=4 4876 B12R1.1 C=CCCOc1ccc(nc1)N 7a_100015188713_100000754431 [0,2,0,0,0,0|2,0,0]=4 4877 B12R1.1 C=CCCSc1ccc(cc1)Br 62a_100000752885_100000754431 [0,2,0,0,0,0|1,1,0]=4 4878 B12R1.1 C=CCCSc1ccc(cc1)Br 62a_100000754431_100000752885 [0,2,0,0,0,0|1,1,0]=4 4879 B12R1.1 C=CCCSc1ccc(cc1)C 62a_100000186775_100000754431 [0,2,0,0,0,0|1,1,0]=4 4880 B12R1.1 C=CCCSc1ccc(cc1)C 62a_100000754431_100000186775 [0,2,0,0,0,0|1,1,0]=4 4881 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000754431_100000755918 [0,2,0,0,0,0|1,1,0]=4 4882 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000755918_100000754431 [0,2,0,0,0,0|1,1,0]=4 4883 B12R1.1 C=CCCSc1ccc(cc1)F 62a_100000211213_100000754431 [0,2,0,0,0,0|1,1,0]=4 4884 B12R1.1 C=CCCSc1ccc(cc1)F 62a_100000754431_100000211213 [0,2,0,0,0,0|1,1,0]=4 4885 B12R1.1 C=CCCSc1ccc(cc1)N 62a_100000185761_100000754431 [0,2,0,0,0,0|1,1,0]=4 4886 B12R1.1 C=CCCSc1ccc(cc1)N 62a_100000754431_100000185761 [0,2,0,0,0,0|1,1,0]=4 4887 B12R1.1 C=CCCSc1ccc(cc1)O 62a_100000754431_100000185759 [0,2,0,0,0,0|1,1,0]=4 4888 B12R1.1 C=CCOCc1ccc(cc1)Br 34a_100000695286_100015514636 [0,2,0,0,0,0|1,0,1]=4 4889 B12R1.1 C=CCOCc1ccc(cc1)Br 34a_200000210373_100000189115 [0,2,0,0,0,0|1,0,1]=4 4890 B12R1.1 C=CCOCc1ccc(cc1)C 34a_100011215236_100015514636 [0,2,0,0,0,0|1,0,1]=4 4891 B12R1.1 C=CCOCc1ccc(cc1)C 34a_200000210373_100000210814 [0,2,0,0,0,0|1,0,1]=4 4892 B12R1.1 C=CCOCc1ccc(cc1)C 7a_100011215236_100015514636 [0,2,0,0,0,0|1,0,1]=4 4893 B12R1.1 C=CCOCc1ccc(cc1)Cl 34a_100000211118_100015514636 [0,2,0,0,0,0|1,0,1]=4 4894 B12R1.1 C=CCOCc1ccc(cc1)Cl 34a_200000210373_100000694040 [0,2,0,0,0,0|1,0,1]=4 4895 B12R1.1 C=CCOCc1ccc(cc1)Cl 7a_100000211118_100015514636 [0,2,0,0,0,0|1,0,1]=4 4896 B12R1.1 C=CCOCc1ccc(cc1)F 34a_100000210977_100015514636 [0,2,0,0,0,0|1,0,1]=4 4897 B12R1.1 C=CCOCc1ccc(cc1)F 34a_200000210373_100000198546 [0,2,0,0,0,0|1,0,1]=4 4898 B12R1.1 C=CCOCc1ccc(cc1)F 7a_100000210977_100015514636 [0,2,0,0,0,0|1,0,1]=4 4899 B12R1.1 C=CCOCc1ccc(cc1)I 34a_100000690907_100015514636 [0,2,0,0,0,0|1,0,1]=4 4900 B12R1.1 C=CCOCc1ccc(cc1)I 34a_200000210373_100000189116 [0,2,0,0,0,0|1,0,1]=4 4901 B12R1.1 C=CCOCc1ccc(cc1)I 7a_100000690907_100015514636 [0,2,0,0,0,0|1,0,1]=4 4902 B12R1.1 C=CCOCc1ccc(cc1)N 34a_100011215238_100015514636 [0,2,0,0,0,0|1,0,1]=4 4903 B12R1.1 CC#CCOc1ccc(cc1)Br 34a_100000185759_100000748600 [0,2,0,0,0,0|1,0,1]=4 4904 B12R1.1 CC#CCOc1ccc(cc1)Br 7a_100000185759_100000748600 [0,2,0,0,0,0|1,0,1]=4 4905 B12R1.1 CC#CCOc1ccc(cc1)C 34a_100000210336_100000748600 [0,2,0,0,0,0|1,0,1]=4 4906 B12R1.1 CC#CCOc1ccc(cc1)C 7a_100000210336_100000748600 [0,2,0,0,0,0|1,0,1]=4 4907 B12R1.1 CC#CCOc1ccc(cc1)Cl 34a_100000210216_100000748600 [0,2,0,0,0,0|1,0,1]=4 4908 B12R1.1 CC#CCOc1ccc(cc1)Cl 7a_100000210216_100000748600 [0,2,0,0,0,0|1,0,1]=4 4909 B12R1.1 CC#CCOc1ccc(cc1)F 34a_100000210339_100000748600 [0,2,0,0,0,0|1,0,1]=4 4910 B12R1.1 CC#CCOc1ccc(cc1)I 34a_100000212066_100000748600 [0,2,0,0,0,0|1,0,1]=4 4911 B12R1.1 CC#CCOc1ccc(cc1)I 7a_100000212066_100000748600 [0,2,0,0,0,0|1,0,1]=4 4912 B12R1.1 CC#CCOc1ccc(cc1)N 34a_100000185829_100000748600 [0,2,0,0,0,0|1,0,1]=4 4913 B12R1.1 CC=CCOc1ccc(cc1)Br 34a_100000185759_100000070051 [0,2,0,0,0,0|1,0,1]=4 4914 B12R1.1 CC=CCOc1ccc(cc1)Br 7a_100000185759_100000070051 [0,2,0,0,0,0|1,0,1]=4 4915 B12R1.1 CC=CCOc1ccc(cc1)C 34a_100000210336_100000070051 [0,2,0,0,0,0|1,0,1]=4 4916 B12R1.1 CC=CCOc1ccc(cc1)C 7a_100000210336_100000070051 [0,2,0,0,0,0|1,0,1]=4 4917 B12R1.1 CC=CCOc1ccc(cc1)Cl 34a_100000210216_100000070051 [0,2,0,0,0,0|1,0,1]=4 4918 B12R1.1 CC=CCOc1ccc(cc1)Cl 7a_100000210216_100000070051 [0,2,0,0,0,0|1,0,1]=4 4919 B12R1.1 CC=CCOc1ccc(cc1)F 34a_100000210339_100000070051 [0,2,0,0,0,0|1,0,1]=4 4920 B12R1.1 CC=CCOc1ccc(cc1)I 34a_100000212066_100000070051 [0,2,0,0,0,0|1,0,1]=4 4921 B12R1.1 CC=CCOc1ccc(cc1)I 7a_100000212066_100000070051 [0,2,0,0,0,0|1,0,1]=4 4922 B12R1.1 CC=CCOc1ccc(cc1)N 34a_100000185829_100000070051 [0,2,0,0,0,0|1,0,1]=4 4923 B12R1.1 CCCC=Cc1ccc(cc1)Br 271570a_100016258520_100000752885 [0,2,0,0,0,0|2,0,0]=4 4924 B12R1.1 CCCC=Cc1ccc(cc1)C 271570a_100016258520_100000186775 [0,2,0,0,0,0|2,0,0]=4 4925 B12R1.1 CCCC=Cc1ccc(cc1)Cl 271570a_100016258520_100000755918 [0,2,0,0,0,0|2,0,0]=4 4926 B12R1.1 CCCC=Cc1ccc(cc1)F 271570a_100016258520_100000211213 [0,2,0,0,0,0|2,0,0]=4 4927 B12R1.1 CCCC=Cc1ccc(cc1)N 271570a_100016258520_100000185761 [0,2,0,0,0,0|2,0,0]=4 4928 B12R1.1 CCCC=Cc1ccc(cc1)O 271570a_100016258520_100000185759 [0,2,0,0,0,0|2,0,0]=4 4929 B12R1.1 CCCCCc1ccc(cc1)O 271570a_203496583355_100009813665 [0,2,0,0,0,0|2,0,0]=4 4930 B12R1.1 CCCCNc1ccc(cc1)Br 2230a_100000210018_100000210211 [0,2,0,0,0,0|2,0,0]=4 4931 B12R1.1 CCCCNc1ccc(cc1)Br 34a_100000210018_100000210210 [0,2,0,0,0,0|2,0,0]=4 4932 B12R1.1 CCCCNc1ccc(cc1)C 34a_100000124888_100000210210 [0,2,0,0,0,0|2,0,0]=4 4933 B12R1.1 CCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210211 [0,2,0,0,0,0|2,0,0]=4 4934 B12R1.1 CCCCNc1ccc(cc1)Cl 34a_100000210052_100000210210 [0,2,0,0,0,0|2,0,0]=4 4935 B12R1.1 CCCCNc1ccc(cc1)F 34a_100000185862_100000210210 [0,2,0,0,0,0|2,0,0]=4 4936 B12R1.1 CCCCNc1ccc(cc1)I 34a_100000185761_100000210210 [0,2,0,0,0,0|2,0,0]=4 4937 B12R1.1 CCCCNc1ccc(cc1)O 34a_100000185829_100000210210 [0,2,0,0,0,0|2,0,0]=4 4938 B12R1.1 CCCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210210 [0,2,0,0,0,0|2,0,0]=4 4939 B12R1.1 CCCCOc1ccc(cc1)Br 34a_100000185759_100000210210 [0,2,0,0,0,0|1,0,0]=3 4940 B12R1.1 CCCCOc1ccc(cc1)Br 7a_100000185759_100000210211 [0,2,0,0,0,0|1,0,0]=3 4941 B12R1.1 CCCCOc1ccc(cc1)C 34a_100000210336_100000210210 [0,2,0,0,0,0|1,0,0]=3 4942 B12R1.1 CCCCOc1ccc(cc1)C 7a_100000210336_100000210211 [0,2,0,0,0,0|1,0,0]=3 4943 B12R1.1 CCCCOc1ccc(cc1)Cl 34a_100000210216_100000210210 [0,2,0,0,0,0|1,0,0]=3 4944 B12R1.1 CCCCOc1ccc(cc1)Cl 7a_100000210216_100000210211 [0,2,0,0,0,0|1,0,0]=3 4945 B12R1.1 CCCCOc1ccc(cc1)F 34a_100000210339_100000210210 [0,2,0,0,0,0|1,0,0]=3 4946 B12R1.1 CCCCOc1ccc(cc1)I 34a_100000212066_100000210210 [0,2,0,0,0,0|1,0,0]=3 4947 B12R1.1 CCCCOc1ccc(cc1)I 7a_100000212066_100000210211 [0,2,0,0,0,0|1,0,0]=3 4948 B12R1.1 CCCCOc1ccc(cc1)N 34a_100000185829_100000210210 [0,2,0,0,0,0|1,0,0]=3 4949 B12R1.1 CCCCOc1ccc(cc1)O 271570a_203496583355_100000230682 [0,2,0,0,0,0|1,0,0]=3 4950 B12R1.1 CCCCOc1ccc(cn1)C 34a_100000759353_100000210210 [0,2,0,0,0,0|2,0,0]=4 4951 B12R1.1 CCCCOc1ccc(cn1)Cl 34a_100011215309_100000210210 [0,2,0,0,0,0|2,0,0]=4 4952 B12R1.1 CCCCOc1ccc(cn1)F 34a_100000742473_100000210210 [0,2,0,0,0,0|2,0,0]=4 4953 B12R1.1 CCCCOc1ccc(cn1)N 34a_100000729260_100000210210 [0,2,0,0,0,0|2,0,0]=4 4954 B12R1.1 CCCCOc1ccc(nc1)Br 34a_100000685995_100000210210 [0,2,0,0,0,0|2,0,0]=4 4955 B12R1.1 CCCCOc1ccc(nc1)Br 7a_100000685995_100000210211 [0,2,0,0,0,0|2,0,0]=4 4956 B12R1.1 CCCCOc1ccc(nc1)C 34a_100000745506_100000210210 [0,2,0,0,0,0|2,0,0]=4 4957 B12R1.1 CCCCOc1ccc(nc1)C 7a_100000745506_100000210211 [0,2,0,0,0,0|2,0,0]=4 4958 B12R1.1 CCCCOc1ccc(nc1)Cl 34a_100000744096_100000210210 [0,2,0,0,0,0|2,0,0]=4 4959 B12R1.1 CCCCOc1ccc(nc1)Cl 7a_100000744096_100000210211 [0,2,0,0,0,0|2,0,0]=4 4960 B12R1.1 CCCCOc1ccc(nc1)F 34a_100000688820_100000210210 [0,2,0,0,0,0|2,0,0]=4 4961 B12R1.1 CCCCOc1ccc(nc1)F 7a_100000688820_100000210211 [0,2,0,0,0,0|2,0,0]=4 4962 B12R1.1 CCCCOc1ccc(nc1)I 34a_100000687607_100000210210 [0,2,0,0,0,0|2,0,0]=4 4963 B12R1.1 CCCCOc1ccc(nc1)I 7a_100000687607_100000210211 [0,2,0,0,0,0|2,0,0]=4 4964 B12R1.1 CCCCOc1ccc(nc1)N 34a_100015188713_100000210210 [0,2,0,0,0,0|2,0,0]=4 4965 B12R1.1 CCCCOc1ccc(nc1)N 7a_100015188713_100000210211 [0,2,0,0,0,0|2,0,0]=4 4966 B12R1.1 CCCCSc1ccc(cc1)Br 62a_100000210211_100000752885 [0,2,0,0,0,0|1,1,0]=4 4967 B12R1.1 CCCCSc1ccc(cc1)Br 62a_100000752885_100000210210 [0,2,0,0,0,0|1,1,0]=4 4968 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000186775_100000210210 [0,2,0,0,0,0|1,1,0]=4 4969 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000210211_100000186775 [0,2,0,0,0,0|1,1,0]=4 4970 B12R1.1 CCCCSc1ccc(cc1)Cl 62a_100000210211_100000755918 [0,2,0,0,0,0|1,1,0]=4 4971 B12R1.1 CCCCSc1ccc(cc1)Cl 62a_100000755918_100000210210 [0,2,0,0,0,0|1,1,0]=4 4972 B12R1.1 CCCCSc1ccc(cc1)F 62a_100000210211_100000211213 [0,2,0,0,0,0|1,1,0]=4 4973 B12R1.1 CCCCSc1ccc(cc1)F 62a_100000211213_100000210210 [0,2,0,0,0,0|1,1,0]=4 4974 B12R1.1 CCCCSc1ccc(cc1)N 62a_100000185761_100000210210 [0,2,0,0,0,0|1,1,0]=4 4975 B12R1.1 CCCCSc1ccc(cc1)N 62a_100000210211_100000185761 [0,2,0,0,0,0|1,1,0]=4 4976 B12R1.1 CCCCSc1ccc(cc1)O 62a_100000210211_100000185759 [0,2,0,0,0,0|1,1,0]=4 4977 B12R1.1 CCCNCc1ccc(cc1)Br 207a_100020643023_100000186029 [0,2,0,0,0,0|2,0,0]=4 4978 B12R1.1 CCCNCc1ccc(cc1)Br 2230a_100000174875_100000210303 [0,2,0,0,0,0|2,0,0]=4 4979 B12R1.1 CCCNCc1ccc(cc1)Br 270004a_100020643023_100000186029 [0,2,0,0,0,0|2,0,0]=4 4980 B12R1.1 CCCNCc1ccc(cc1)Br 34a_100000174875_100000210303 [0,2,0,0,0,0|2,0,0]=4 4981 B12R1.1 CCCNCc1ccc(cc1)C 207a_100020643023_100000211033 [0,2,0,0,0,0|2,0,0]=4 4982 B12R1.1 CCCNCc1ccc(cc1)C 2230a_100000174908_100000210303 [0,2,0,0,0,0|2,0,0]=4 4983 B12R1.1 CCCNCc1ccc(cc1)C 270004a_100020643023_100000211033 [0,2,0,0,0,0|2,0,0]=4 4984 B12R1.1 CCCNCc1ccc(cc1)C 34a_100000174908_100000210303 [0,2,0,0,0,0|2,0,0]=4 4985 B12R1.1 CCCNCc1ccc(cc1)Cl 207a_100020643023_100000189385 [0,2,0,0,0,0|2,0,0]=4 4986 B12R1.1 CCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210303 [0,2,0,0,0,0|2,0,0]=4 4987 B12R1.1 CCCNCc1ccc(cc1)Cl 270004a_100020643023_100000189385 [0,2,0,0,0,0|2,0,0]=4 4988 B12R1.1 CCCNCc1ccc(cc1)Cl 34a_100000174871_100000210303 [0,2,0,0,0,0|2,0,0]=4 4989 B12R1.1 CCCNCc1ccc(cc1)F 207a_100020643023_100000210084 [0,2,0,0,0,0|2,0,0]=4 4990 B12R1.1 CCCNCc1ccc(cc1)F 2230a_100000174882_100000210303 [0,2,0,0,0,0|2,0,0]=4 4991 B12R1.1 CCCNCc1ccc(cc1)F 270004a_100020643023_100000210084 [0,2,0,0,0,0|2,0,0]=4 4992 B12R1.1 CCCNCc1ccc(cc1)F 34a_100000174882_100000210303 [0,2,0,0,0,0|2,0,0]=4 4993 B12R1.1 CCCNCc1ccc(cc1)I 207a_100020643023_100000188517 [0,2,0,0,0,0|2,0,0]=4 4994 B12R1.1 CCCNCc1ccc(cc1)I 2230a_100016989417_100000210303 [0,2,0,0,0,0|2,0,0]=4 4995 B12R1.1 CCCNCc1ccc(cc1)I 34a_100016989417_100000210303 [0,2,0,0,0,0|2,0,0]=4 4996 B12R1.1 CCCNCc1ccc(cc1)O 34a_100000185549_100000210303 [0,2,0,0,0,0|2,0,0]=4 4997 B12R1.1 CCCOCc1cc[n+](cc1)C 34a_100009831711_100000210303 [0,2,0,0,0,0|2,0,0]=4 4998 B12R1.1 CCCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000210303 [0,2,0,0,0,0|2,0,0]=4 4999 B12R1.1 CCCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000210303 [0,2,0,0,0,0|2,0,0]=4 5000 B12R1.1 CCCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210303 [0,2,0,0,0,0|2,0,0]=4 5001 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000210258_100000189115 [0,2,0,0,0,0|1,0,0]=3 5002 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000695286_100000210303 [0,2,0,0,0,0|1,0,0]=3 5003 B12R1.1 CCCOCc1ccc(cc1)C 34a_100000210258_100000210814 [0,2,0,0,0,0|1,0,0]=3 5004 B12R1.1 CCCOCc1ccc(cc1)C 34a_100011215236_100000210303 [0,2,0,0,0,0|1,0,0]=3 5005 B12R1.1 CCCOCc1ccc(cc1)C 7a_100011215236_100000210303 [0,2,0,0,0,0|1,0,0]=3 5006 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000210258_100000694040 [0,2,0,0,0,0|1,0,0]=3 5007 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000211118_100000210303 [0,2,0,0,0,0|1,0,0]=3 5008 B12R1.1 CCCOCc1ccc(cc1)Cl 7a_100000211118_100000210303 [0,2,0,0,0,0|1,0,0]=3 5009 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210258_100000198546 [0,2,0,0,0,0|1,0,0]=3 5010 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210977_100000210303 [0,2,0,0,0,0|1,0,0]=3 5011 B12R1.1 CCCOCc1ccc(cc1)F 7a_100000210977_100000210303 [0,2,0,0,0,0|1,0,0]=3 5012 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000210258_100000189116 [0,2,0,0,0,0|1,0,0]=3 5013 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000690907_100000210303 [0,2,0,0,0,0|1,0,0]=3 5014 B12R1.1 CCCOCc1ccc(cc1)I 7a_100000690907_100000210303 [0,2,0,0,0,0|1,0,0]=3 5015 B12R1.1 CCCOCc1ccc(cc1)N 34a_100011215238_100000210303 [0,2,0,0,0,0|1,0,0]=3 5016 B12R1.1 CCCOCc1ccc(cn1)Br 34a_100000210258_100000702658 [0,2,0,0,0,0|2,0,0]=4 5017 B12R1.1 CCCOCc1ccc(cn1)Br 34a_100000754261_100000210303 [0,2,0,0,0,0|2,0,0]=4 5018 B12R1.1 CCCOCc1ccc(cn1)C 34a_100000210258_100000691093 [0,2,0,0,0,0|2,0,0]=4 5019 B12R1.1 CCCOCc1ccc(cn1)C 34a_100012001401_100000210303 [0,2,0,0,0,0|2,0,0]=4 5020 B12R1.1 CCCOCc1ccc(cn1)Cl 34a_100000210258_100012066911 [0,2,0,0,0,0|2,0,0]=4 5021 B12R1.1 CCCOCc1ccc(cn1)Cl 34a_100000703999_100000210303 [0,2,0,0,0,0|2,0,0]=4 5022 B12R1.1 CCCOCc1ccc(cn1)F 34a_100000210258_100000703193 [0,2,0,0,0,0|2,0,0]=4 5023 B12R1.1 CCCOCc1ccc(cn1)F 34a_100011999454_100000210303 [0,2,0,0,0,0|2,0,0]=4 5024 B12R1.1 CCCOCc1ccc(cn1)N 34a_100011998161_100000210303 [0,2,0,0,0,0|2,0,0]=4 5025 B12R1.1 CCCOCc1ccc(nc1)Br 34a_100000210258_100009831999 [0,2,0,0,0,0|2,0,0]=4 5026 B12R1.1 CCCOCc1ccc(nc1)Br 34a_100009816760_100000210303 [0,2,0,0,0,0|2,0,0]=4 5027 B12R1.1 CCCOCc1ccc(nc1)Br 7a_100009816760_100000210303 [0,2,0,0,0,0|2,0,0]=4 5028 B12R1.1 CCCOCc1ccc(nc1)C 34a_100000210258_100016987292 [0,2,0,0,0,0|2,0,0]=4 5029 B12R1.1 CCCOCc1ccc(nc1)C 34a_100011248133_100000210303 [0,2,0,0,0,0|2,0,0]=4 5030 B12R1.1 CCCOCc1ccc(nc1)Cl 34a_100000210258_100000735431 [0,2,0,0,0,0|2,0,0]=4 5031 B12R1.1 CCCOCc1ccc(nc1)Cl 34a_100000755211_100000210303 [0,2,0,0,0,0|2,0,0]=4 5032 B12R1.1 CCCOCc1ccc(nc1)Cl 7a_100000755211_100000210303 [0,2,0,0,0,0|2,0,0]=4 5033 B12R1.1 CCCOCc1ccc(nc1)F 34a_100000079959_100000210303 [0,2,0,0,0,0|2,0,0]=4 5034 B12R1.1 CCCOCc1ccc(nc1)F 34a_100000210258_100000099788 [0,2,0,0,0,0|2,0,0]=4 5035 B12R1.1 CCCOCc1ccc(nc1)N 34a_100000704267_100000210303 [0,2,0,0,0,0|2,0,0]=4 5036 B12R1.1 CCCSCc1ccc(cc1)Br 62a_100000189115_100000210303 [0,2,0,0,0,0|1,1,0]=4 5037 B12R1.1 CCCSCc1ccc(cc1)Br 62a_100000210303_100000189115 [0,2,0,0,0,0|1,1,0]=4 5038 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210303_100000210814 [0,2,0,0,0,0|1,1,0]=4 5039 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210814_100000210303 [0,2,0,0,0,0|1,1,0]=4 5040 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000187161_100000210303 [0,2,0,0,0,0|1,1,0]=4 5041 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000210303_100000187161 [0,2,0,0,0,0|1,1,0]=4 5042 B12R1.1 CCCSCc1ccc(cc1)F 62a_100000198546_100000210303 [0,2,0,0,0,0|1,1,0]=4 5043 B12R1.1 CCCSCc1ccc(cc1)F 62a_100000210303_100000187164 [0,2,0,0,0,0|1,1,0]=4 5044 B12R1.1 CCCSCc1ccc(cc1)I 62a_100000189116_100000210303 [0,2,0,0,0,0|1,1,0]=4 5045 B12R1.1 CCCSCc1ccc(cc1)I 62a_100000210303_100000189116 [0,2,0,0,0,0|1,1,0]=4 5046 B12R1.1 CCNCCc1ccc(cc1)Br 2230a_100000755846_100000210202 [0,2,0,0,0,0|2,0,0]=4 5047 B12R1.1 CCNCCc1ccc(cc1)Br 2230a_100015525214_100011740612 [0,2,0,0,0,0|2,0,0]=4 5048 B12R1.1 CCNCCc1ccc(cc1)Br 34a_100000755846_100000210202 [0,2,0,0,0,0|2,0,0]=4 5049 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100000705350_100000210202 [0,2,0,0,0,0|2,0,0]=4 5050 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100015525214_100011713686 [0,2,0,0,0,0|2,0,0]=4 5051 B12R1.1 CCNCCc1ccc(cc1)C 34a_100000705350_100000210202 [0,2,0,0,0,0|2,0,0]=4 5052 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210202 [0,2,0,0,0,0|2,0,0]=4 5053 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100015525214_100011713675 [0,2,0,0,0,0|2,0,0]=4 5054 B12R1.1 CCNCCc1ccc(cc1)Cl 34a_100000185265_100000210202 [0,2,0,0,0,0|2,0,0]=4 5055 B12R1.1 CCNCCc1ccc(cc1)F 2230a_100000199005_100000210202 [0,2,0,0,0,0|2,0,0]=4 5056 B12R1.1 CCNCCc1ccc(cc1)F 2230a_100015525214_100011217392 [0,2,0,0,0,0|2,0,0]=4 5057 B12R1.1 CCNCCc1ccc(cc1)F 34a_100000199005_100000210202 [0,2,0,0,0,0|2,0,0]=4 5058 B12R1.1 CCNCCc1ccc(cc1)O 2230a_100015525214_100009816426 [0,2,0,0,0,0|2,0,0]=4 5059 B12R1.1 CCNCCc1ccc(cc1)O 34a_100000743037_100000210202 [0,2,0,0,0,0|2,0,0]=4 5060 B12R1.1 CCOCCc1ccc(cc1)Br 34a_100000766406_100000210202 [0,2,0,0,0,0|2,0,0]=4 5061 B12R1.1 CCOCCc1ccc(cc1)Br 34a_100121572206_100011740612 [0,2,0,0,0,0|2,0,0]=4 5062 B12R1.1 CCOCCc1ccc(cc1)Br 7a_100000766406_100000210202 [0,2,0,0,0,0|2,0,0]=4 5063 B12R1.1 CCOCCc1ccc(cc1)C 34a_100000756670_100000210202 [0,2,0,0,0,0|2,0,0]=4 5064 B12R1.1 CCOCCc1ccc(cc1)C 34a_100121572206_100011713686 [0,2,0,0,0,0|2,0,0]=4 5065 B12R1.1 CCOCCc1ccc(cc1)C 7a_100000756670_100000210202 [0,2,0,0,0,0|2,0,0]=4 5066 B12R1.1 CCOCCc1ccc(cc1)Cl 34a_100011219627_100000210202 [0,2,0,0,0,0|2,0,0]=4 5067 B12R1.1 CCOCCc1ccc(cc1)Cl 34a_100121572206_100011713675 [0,2,0,0,0,0|2,0,0]=4 5068 B12R1.1 CCOCCc1ccc(cc1)Cl 7a_100011219627_100000210202 [0,2,0,0,0,0|2,0,0]=4 5069 B12R1.1 CCOCCc1ccc(cc1)F 34a_100000754732_100000210202 [0,2,0,0,0,0|2,0,0]=4 5070 B12R1.1 CCOCCc1ccc(cc1)F 34a_100121572206_100011217392 [0,2,0,0,0,0|2,0,0]=4 5071 B12R1.1 CCOCCc1ccc(cc1)F 7a_100000754732_100000210202 [0,2,0,0,0,0|2,0,0]=4 5072 B12R1.1 CCOCCc1ccc(cc1)I 34a_100012291149_100000210202 [0,2,0,0,0,0|2,0,0]=4 5073 B12R1.1 CCOCCc1ccc(cc1)I 7a_100012291149_100000210202 [0,2,0,0,0,0|2,0,0]=4 5074 B12R1.1 CCOCCc1ccc(cc1)N 34a_100011204434_100000210202 [0,2,0,0,0,0|2,0,0]=4 5075 B12R1.1 CCOCSc1ccc(cc1)Br 62a_100000739092_100000752885 [0,2,0,0,0,0|1,1,0]=4 5076 B12R1.1 CCOCSc1ccc(cc1)Br 62a_100000752885_100000739092 [0,2,0,0,0,0|1,1,0]=4 5077 B12R1.1 CCOCSc1ccc(cc1)C 62a_100000186775_100000739092 [0,2,0,0,0,0|1,1,0]=4 5078 B12R1.1 CCOCSc1ccc(cc1)C 62a_100000739092_100000186775 [0,2,0,0,0,0|1,1,0]=4 5079 B12R1.1 CCOCSc1ccc(cc1)Cl 62a_100000739092_100000755918 [0,2,0,0,0,0|1,1,0]=4 5080 B12R1.1 CCOCSc1ccc(cc1)Cl 62a_100000755918_100000739092 [0,2,0,0,0,0|1,1,0]=4 5081 B12R1.1 CCOCSc1ccc(cc1)F 62a_100000211213_100000739092 [0,2,0,0,0,0|1,1,0]=4 5082 B12R1.1 CCOCSc1ccc(cc1)F 62a_100000739092_100000211213 [0,2,0,0,0,0|1,1,0]=4 5083 B12R1.1 CCOCSc1ccc(cc1)N 62a_100000185761_100000739092 [0,2,0,0,0,0|1,1,0]=4 5084 B12R1.1 CCOCSc1ccc(cc1)N 62a_100000739092_100000185761 [0,2,0,0,0,0|1,1,0]=4 5085 B12R1.1 CCOCSc1ccc(cc1)O 62a_100000739092_100000185759 [0,2,0,0,0,0|1,1,0]=4 5086 B12R1.1 CCSCCc1ccc(cc1)Br 62a_100000210202_100011740612 [0,2,0,0,0,0|2,0,0]=4 5087 B12R1.1 CCSCCc1ccc(cc1)Br 62a_100011740612_100000210202 [0,2,0,0,0,0|2,0,0]=4 5088 B12R1.1 CCSCCc1ccc(cc1)C 62a_100000210202_100011713686 [0,2,0,0,0,0|2,0,0]=4 5089 B12R1.1 CCSCCc1ccc(cc1)C 62a_100011713686_100000210202 [0,2,0,0,0,0|2,0,0]=4 5090 B12R1.1 CCSCCc1ccc(cc1)Cl 62a_100000210202_100011713675 [0,2,0,0,0,0|2,0,0]=4 5091 B12R1.1 CCSCCc1ccc(cc1)Cl 62a_100011713675_100000210202 [0,2,0,0,0,0|2,0,0]=4 5092 B12R1.1 CCSCCc1ccc(cc1)F 62a_100000210202_100011217392 [0,2,0,0,0,0|2,0,0]=4 5093 B12R1.1 CCSCCc1ccc(cc1)F 62a_100011217392_100000210202 [0,2,0,0,0,0|2,0,0]=4 5094 B12R1.1 CCSCCc1ccc(cc1)O 62a_100000210202_100009816426 [0,2,0,0,0,0|2,0,0]=4 5095 B12R1.1 CCSCCc1ccc(cc1)O 62a_100009816426_100000210202 [0,2,0,0,0,0|2,0,0]=4 5096 B12R1.1 CNCCCc1ccc(cc1)Br 2230a_100011297623_200000210301 [0,2,0,0,0,0|2,0,0]=4 5097 B12R1.1 CNCCCc1ccc(cc1)Br 2230a_106832991635_100011713682 [0,2,0,0,0,0|2,0,0]=4 5098 B12R1.1 CNCCCc1ccc(cc1)Br 34a_100011297623_200000210301 [0,2,0,0,0,0|2,0,0]=4 5099 B12R1.1 CNCCCc1ccc(cc1)Br 34a_100102657272_100011713682 [0,2,0,0,0,0|2,0,0]=4 5100 B12R1.1 CNCCCc1ccc(cc1)Br 7a_106832991635_100011713682 [0,2,0,0,0,0|2,0,0]=4 5101 B12R1.1 CNCCCc1ccc(cc1)C 2230a_100011236272_200000210301 [0,2,0,0,0,0|2,0,0]=4 5102 B12R1.1 CNCCCc1ccc(cc1)C 34a_100011236272_200000210301 [0,2,0,0,0,0|2,0,0]=4 5103 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_100000748451_200000210301 [0,2,0,0,0,0|2,0,0]=4 5104 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_106832991635_100000759440 [0,2,0,0,0,0|2,0,0]=4 5105 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100000748451_200000210301 [0,2,0,0,0,0|2,0,0]=4 5106 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100102657272_100000759440 [0,2,0,0,0,0|2,0,0]=4 5107 B12R1.1 CNCCCc1ccc(cc1)Cl 7a_106832991635_100000759440 [0,2,0,0,0,0|2,0,0]=4 5108 B12R1.1 CNCCCc1ccc(cc1)F 2230a_100025745824_200000210301 [0,2,0,0,0,0|2,0,0]=4 5109 B12R1.1 CNCCCc1ccc(cc1)F 2230a_106832991635_200011713563 [0,2,0,0,0,0|2,0,0]=4 5110 B12R1.1 CNCCCc1ccc(cc1)F 34a_100025745824_200000210301 [0,2,0,0,0,0|2,0,0]=4 5111 B12R1.1 CNCCCc1ccc(cc1)F 34a_100102657272_200011713563 [0,2,0,0,0,0|2,0,0]=4 5112 B12R1.1 CNCCCc1ccc(cc1)F 7a_106832991635_200011713563 [0,2,0,0,0,0|2,0,0]=4 5113 B12R1.1 CNCCOc1ccc(cc1)Br 2230a_100000746992_200000210301 [0,2,0,0,0,0|1,0,0]=3 5114 B12R1.1 CNCCOc1ccc(cc1)Br 2230a_106832991635_100000183278 [0,2,0,0,0,0|1,0,0]=3 5115 B12R1.1 CNCCOc1ccc(cc1)Br 34a_100000746992_200000210301 [0,2,0,0,0,0|1,0,0]=3 5116 B12R1.1 CNCCOc1ccc(cc1)Br 34a_100102657272_100000183278 [0,2,0,0,0,0|1,0,0]=3 5117 B12R1.1 CNCCOc1ccc(cc1)Br 7a_106832991635_100000183278 [0,2,0,0,0,0|1,0,0]=3 5118 B12R1.1 CNCCOc1ccc(cc1)C 2230a_100020666663_200000210301 [0,2,0,0,0,0|1,0,0]=3 5119 B12R1.1 CNCCOc1ccc(cc1)C 2230a_106832991635_100000183172 [0,2,0,0,0,0|1,0,0]=3 5120 B12R1.1 CNCCOc1ccc(cc1)C 34a_100020666663_200000210301 [0,2,0,0,0,0|1,0,0]=3 5121 B12R1.1 CNCCOc1ccc(cc1)C 34a_100102657272_100000183172 [0,2,0,0,0,0|1,0,0]=3 5122 B12R1.1 CNCCOc1ccc(cc1)C 7a_106832991635_100000183172 [0,2,0,0,0,0|1,0,0]=3 5123 B12R1.1 CNCCOc1ccc(cc1)Cl 2230a_100000697975_200000210301 [0,2,0,0,0,0|1,0,0]=3 5124 B12R1.1 CNCCOc1ccc(cc1)Cl 2230a_106832991635_100000184122 [0,2,0,0,0,0|1,0,0]=3 5125 B12R1.1 CNCCOc1ccc(cc1)Cl 34a_100000697975_200000210301 [0,2,0,0,0,0|1,0,0]=3 5126 B12R1.1 CNCCOc1ccc(cc1)Cl 34a_100102657272_100000184122 [0,2,0,0,0,0|1,0,0]=3 5127 B12R1.1 CNCCOc1ccc(cc1)Cl 7a_106832991635_100000184122 [0,2,0,0,0,0|1,0,0]=3 5128 B12R1.1 CNCCOc1ccc(cc1)F 2230a_100000737420_200000210301 [0,2,0,0,0,0|1,0,0]=3 5129 B12R1.1 CNCCOc1ccc(cc1)F 2230a_106832991635_100000184936 [0,2,0,0,0,0|1,0,0]=3 5130 B12R1.1 CNCCOc1ccc(cc1)F 34a_100000737420_200000210301 [0,2,0,0,0,0|1,0,0]=3 5131 B12R1.1 CNCCOc1ccc(cc1)F 34a_100102657272_100000184936 [0,2,0,0,0,0|1,0,0]=3 5132 B12R1.1 CNCCOc1ccc(cc1)F 7a_106832991635_100000184936 [0,2,0,0,0,0|1,0,0]=3 5133 B12R1.1 CNCCSc1ccc(cc1)Br 2230a_100000184645_200000210301 [0,2,0,0,0,0|1,1,0]=4 5134 B12R1.1 CNCCSc1ccc(cc1)C 2230a_100000739754_200000210301 [0,2,0,0,0,0|1,1,0]=4 5135 B12R1.1 CNCCSc1ccc(cc1)Cl 2230a_100000174974_200000210301 [0,2,0,0,0,0|1,1,0]=4 5136 B12R1.1 COCC#Cc1ccc(cc1)Br 34a_100009814260_200000210301 [0,2,0,0,0,0|1,0,1]=4 5137 B12R1.1 COCC#Cc1ccc(cc1)Br 34a_100138415774_100010706785 [0,2,0,0,0,0|1,0,1]=4 5138 B12R1.1 COCC#Cc1ccc(cc1)Br 7a_100009814260_200000210301 [0,2,0,0,0,0|1,0,1]=4 5139 B12R1.1 COCC#Cc1ccc(cc1)C 34a_100000696136_200000210301 [0,2,0,0,0,0|1,0,1]=4 5140 B12R1.1 COCC#Cc1ccc(cc1)C 7a_100000696136_200000210301 [0,2,0,0,0,0|1,0,1]=4 5141 B12R1.1 COCC#Cc1ccc(cc1)F 34a_100011219116_200000210301 [0,2,0,0,0,0|1,0,1]=4 5142 B12R1.1 COCC#Cc1ccc(cc1)F 34a_100138415774_100010402171 [0,2,0,0,0,0|1,0,1]=4 5143 B12R1.1 COCC#Cc1ccc(cc1)F 7a_100011219116_200000210301 [0,2,0,0,0,0|1,0,1]=4 5144 B12R1.1 COCC=Cc1ccc(cc1)Br 271570a_100016286323_100000752885 [0,2,0,0,0,0|1,0,1]=4 5145 B12R1.1 COCC=Cc1ccc(cc1)C 271570a_100016286323_100000186775 [0,2,0,0,0,0|1,0,1]=4 5146 B12R1.1 COCC=Cc1ccc(cc1)Cl 271570a_100016286323_100000755918 [0,2,0,0,0,0|1,0,1]=4 5147 B12R1.1 COCC=Cc1ccc(cc1)F 271570a_100016286323_100000211213 [0,2,0,0,0,0|1,0,1]=4 5148 B12R1.1 COCC=Cc1ccc(cc1)N 271570a_100016286323_100000185761 [0,2,0,0,0,0|1,0,1]=4 5149 B12R1.1 COCC=Cc1ccc(cc1)O 271570a_100016286323_100000185759 [0,2,0,0,0,0|1,0,1]=4 5150 B12R1.1 COCCCc1ccc(cc1)Br 34a_100011709247_200000210301 [0,2,0,0,0,0|1,0,0]=3 5151 B12R1.1 COCCCc1ccc(cc1)Br 34a_100138415774_100011713682 [0,2,0,0,0,0|1,0,0]=3 5152 B12R1.1 COCCCc1ccc(cc1)Br 7a_100011709247_200000210301 [0,2,0,0,0,0|1,0,0]=3 5153 B12R1.1 COCCCc1ccc(cc1)C 34a_100000189427_200000210301 [0,2,0,0,0,0|1,0,0]=3 5154 B12R1.1 COCCCc1ccc(cc1)C 7a_100000189427_200000210301 [0,2,0,0,0,0|1,0,0]=3 5155 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100011217485_200000210301 [0,2,0,0,0,0|1,0,0]=3 5156 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100138415774_100000759440 [0,2,0,0,0,0|1,0,0]=3 5157 B12R1.1 COCCCc1ccc(cc1)Cl 7a_100011217485_200000210301 [0,2,0,0,0,0|1,0,0]=3 5158 B12R1.1 COCCCc1ccc(cc1)F 34a_100000757351_200000210301 [0,2,0,0,0,0|1,0,0]=3 5159 B12R1.1 COCCCc1ccc(cc1)F 34a_100138415774_200011713563 [0,2,0,0,0,0|1,0,0]=3 5160 B12R1.1 COCCCc1ccc(cc1)F 7a_100000757351_200000210301 [0,2,0,0,0,0|1,0,0]=3 5161 B12R1.1 COCCNc1ccc(cc1)Br 2230a_100000210018_100011201679 [0,2,0,0,0,0|1,0,0]=3 5162 B12R1.1 COCCNc1ccc(cc1)Br 34a_100000210018_100011201679 [0,2,0,0,0,0|1,0,0]=3 5163 B12R1.1 COCCNc1ccc(cc1)C 34a_100000124888_100011201679 [0,2,0,0,0,0|1,0,0]=3 5164 B12R1.1 COCCNc1ccc(cc1)Cl 2230a_100000210052_100011201679 [0,2,0,0,0,0|1,0,0]=3 5165 B12R1.1 COCCNc1ccc(cc1)Cl 34a_100000210052_100011201679 [0,2,0,0,0,0|1,0,0]=3 5166 B12R1.1 COCCNc1ccc(cc1)F 34a_100000185862_100011201679 [0,2,0,0,0,0|1,0,0]=3 5167 B12R1.1 COCCNc1ccc(cc1)I 34a_100000185761_100011201679 [0,2,0,0,0,0|1,0,0]=3 5168 B12R1.1 COCCNc1ccc(cc1)O 34a_100000185829_100011201679 [0,2,0,0,0,0|1,0,0]=3 5169 B12R1.1 COCCNc1ccc(cn1)Br 27a_100000209980_100000686858 [0,2,0,0,0,0|2,0,0]=4 5170 B12R1.1 COCCOc1ccc(=O)[nH]c1 34a_100000075641_100011201679 [0,2,0,0,0,0|1,0,0]=3 5171 B12R1.1 COCCOc1ccc(cc1)Br 34a_100000185759_100011201679 [0,2,0,0,0,0|0,0,0]=2 5172 B12R1.1 COCCOc1ccc(cc1)Br 34a_100000686261_200000210301 [0,2,0,0,0,0|0,0,0]=2 5173 B12R1.1 COCCOc1ccc(cc1)Br 34a_100138415774_100000183278 [0,2,0,0,0,0|0,0,0]=2 5174 B12R1.1 COCCOc1ccc(cc1)Br 7a_100000185759_100000233755 [0,2,0,0,0,0|0,0,0]=2 5175 B12R1.1 COCCOc1ccc(cc1)Br 7a_100000686261_200000210301 [0,2,0,0,0,0|0,0,0]=2 5176 B12R1.1 COCCOc1ccc(cc1)C 34a_100000210336_100011201679 [0,2,0,0,0,0|0,0,0]=2 5177 B12R1.1 COCCOc1ccc(cc1)C 34a_100011219107_200000210301 [0,2,0,0,0,0|0,0,0]=2 5178 B12R1.1 COCCOc1ccc(cc1)C 34a_100138415774_100000183172 [0,2,0,0,0,0|0,0,0]=2 5179 B12R1.1 COCCOc1ccc(cc1)C 7a_100000210336_100000233755 [0,2,0,0,0,0|0,0,0]=2 5180 B12R1.1 COCCOc1ccc(cc1)C 7a_100011219107_200000210301 [0,2,0,0,0,0|0,0,0]=2 5181 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100000210216_100011201679 [0,2,0,0,0,0|0,0,0]=2 5182 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100000237962_200000210301 [0,2,0,0,0,0|0,0,0]=2 5183 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100138415774_100000184122 [0,2,0,0,0,0|0,0,0]=2 5184 B12R1.1 COCCOc1ccc(cc1)Cl 7a_100000210216_100000233755 [0,2,0,0,0,0|0,0,0]=2 5185 B12R1.1 COCCOc1ccc(cc1)Cl 7a_100000237962_200000210301 [0,2,0,0,0,0|0,0,0]=2 5186 B12R1.1 COCCOc1ccc(cc1)F 34a_100000210339_100011201679 [0,2,0,0,0,0|0,0,0]=2 5187 B12R1.1 COCCOc1ccc(cc1)F 34a_100138415774_100000184936 [0,2,0,0,0,0|0,0,0]=2 5188 B12R1.1 COCCOc1ccc(cc1)I 34a_100000212066_100011201679 [0,2,0,0,0,0|0,0,0]=2 5189 B12R1.1 COCCOc1ccc(cc1)I 7a_100000212066_100000233755 [0,2,0,0,0,0|0,0,0]=2 5190 B12R1.1 COCCOc1ccc(cc1)N 34a_100000185829_100011201679 [0,2,0,0,0,0|0,0,0]=2 5191 B12R1.1 COCCOc1ccc(cc1)N 34a_100000754363_200000210301 [0,2,0,0,0,0|0,0,0]=2 5192 B12R1.1 COCCOc1ccc(cc1)O 271570a_203496583355_100000234135 [0,2,0,0,0,0|0,0,0]=2 5193 B12R1.1 COCCOc1ccc(cn1)C 34a_100000759353_100011201679 [0,2,0,0,0,0|1,0,0]=3 5194 B12R1.1 COCCOc1ccc(cn1)Cl 34a_100011215309_100011201679 [0,2,0,0,0,0|1,0,0]=3 5195 B12R1.1 COCCOc1ccc(cn1)F 34a_100000742473_100011201679 [0,2,0,0,0,0|1,0,0]=3 5196 B12R1.1 COCCOc1ccc(cn1)N 34a_100000729260_100011201679 [0,2,0,0,0,0|1,0,0]=3 5197 B12R1.1 COCCOc1ccc(cn1)N 34a_100102662783_200000210301 [0,2,0,0,0,0|1,0,0]=3 5198 B12R1.1 COCCOc1ccc(cn1)O 271570a_203496583355_100000758753 [0,2,0,0,0,0|1,0,0]=3 5199 B12R1.1 COCCOc1ccc(nc1)Br 34a_100000685995_100011201679 [0,2,0,0,0,0|1,0,0]=3 5200 B12R1.1 COCCOc1ccc(nc1)Br 34a_200013150534_200000210301 [0,2,0,0,0,0|1,0,0]=3 5201 B12R1.1 COCCOc1ccc(nc1)Br 7a_100000685995_100000233755 [0,2,0,0,0,0|1,0,0]=3 5202 B12R1.1 COCCOc1ccc(nc1)Br 7a_200013150534_200000210301 [0,2,0,0,0,0|1,0,0]=3 5203 B12R1.1 COCCOc1ccc(nc1)C 34a_100000745506_100011201679 [0,2,0,0,0,0|1,0,0]=3 5204 B12R1.1 COCCOc1ccc(nc1)C 7a_100000745506_100000233755 [0,2,0,0,0,0|1,0,0]=3 5205 B12R1.1 COCCOc1ccc(nc1)Cl 34a_100000744096_100011201679 [0,2,0,0,0,0|1,0,0]=3 5206 B12R1.1 COCCOc1ccc(nc1)Cl 7a_100000744096_100000233755 [0,2,0,0,0,0|1,0,0]=3 5207 B12R1.1 COCCOc1ccc(nc1)F 34a_100000688820_100011201679 [0,2,0,0,0,0|1,0,0]=3 5208 B12R1.1 COCCOc1ccc(nc1)F 7a_100000688820_100000233755 [0,2,0,0,0,0|1,0,0]=3 5209 B12R1.1 COCCOc1ccc(nc1)I 34a_100000687607_100011201679 [0,2,0,0,0,0|1,0,0]=3 5210 B12R1.1 COCCOc1ccc(nc1)I 7a_100000687607_100000233755 [0,2,0,0,0,0|1,0,0]=3 5211 B12R1.1 COCCOc1ccc(nc1)N 34a_100015188713_100011201679 [0,2,0,0,0,0|1,0,0]=3 5212 B12R1.1 COCCOc1ccc(nc1)N 7a_100015188713_100000233755 [0,2,0,0,0,0|1,0,0]=3 5213 B12R1.1 COCCOc1cnc(cn1)Br 34a_100011934580_100011201679 [0,2,0,0,0,0|2,0,0]=4 5214 B12R1.1 COCCOc1cnc(cn1)Cl 34a_100015839800_100011201679 [0,2,0,0,0,0|2,0,0]=4 5215 B12R1.1 COCCOc1cnc(nc1)Br 34a_100000730009_100011201679 [0,2,0,0,0,0|2,0,0]=4 5216 B12R1.1 COCCOc1cnc(nc1)Br 7a_100000730009_100000233755 [0,2,0,0,0,0|2,0,0]=4 5217 B12R1.1 COCCOc1cnc(nc1)C 34a_100000062939_100011201679 [0,2,0,0,0,0|2,0,0]=4 5218 B12R1.1 COCCOc1cnc(nc1)C 7a_100000062939_100000233755 [0,2,0,0,0,0|2,0,0]=4 5219 B12R1.1 COCCOc1cnc(nc1)Cl 34a_100000092845_100011201679 [0,2,0,0,0,0|2,0,0]=4 5220 B12R1.1 COCCOc1cnc(nc1)Cl 7a_100000092845_100000233755 [0,2,0,0,0,0|2,0,0]=4 5221 B12R1.1 COCCOc1cnc(nc1)F 34a_200009874573_100011201679 [0,2,0,0,0,0|2,0,0]=4 5222 B12R1.1 COCCOc1cnc(nc1)F 7a_200009874573_100000233755 [0,2,0,0,0,0|2,0,0]=4 5223 B12R1.1 COCCOc1cnc(nc1)N 34a_100000087137_100011201679 [0,2,0,0,0,0|2,0,0]=4 5224 B12R1.1 COCCOc1cnc(nc1)N 7a_100000087137_100000233755 [0,2,0,0,0,0|2,0,0]=4 5225 B12R1.1 COCCOc1ncc(cn1)F 34a_100011934040_100011201679 [0,2,0,0,0,0|2,0,0]=4 5226 B12R1.1 COCCOc1ncc(cn1)O 271570a_203496583355_200011939457 [0,2,0,0,0,0|2,0,0]=4 5227 B12R1.1 COCCSc1cc[n+](cc1)[O-] 62a_100000233755_100000039755 [0,2,0,0,0,0|1,1,0]=4 5228 B12R1.1 COCCSc1ccc(=O)[nH]c1 62a_100000212171_100000233755 [0,2,0,0,0,0|1,1,0]=4 5229 B12R1.1 COCCSc1ccc(=O)[nH]c1 62a_100000233755_100000212171 [0,2,0,0,0,0|1,1,0]=4 5230 B12R1.1 COCCSc1ccc(cc1)Br 62a_100000233755_100000752885 [0,2,0,0,0,0|0,1,0]=3 5231 B12R1.1 COCCSc1ccc(cc1)Br 62a_100000752885_100000233755 [0,2,0,0,0,0|0,1,0]=3 5232 B12R1.1 COCCSc1ccc(cc1)C 34a_200000230582_200000210301 [0,2,0,0,0,0|0,1,0]=3 5233 B12R1.1 COCCSc1ccc(cc1)C 62a_100000186775_100000233755 [0,2,0,0,0,0|0,1,0]=3 5234 B12R1.1 COCCSc1ccc(cc1)C 62a_100000233755_100000186775 [0,2,0,0,0,0|0,1,0]=3 5235 B12R1.1 COCCSc1ccc(cc1)C 7a_200000230582_200000210301 [0,2,0,0,0,0|0,1,0]=3 5236 B12R1.1 COCCSc1ccc(cc1)Cl 34a_100000230527_200000210301 [0,2,0,0,0,0|0,1,0]=3 5237 B12R1.1 COCCSc1ccc(cc1)Cl 62a_100000233755_100000755918 [0,2,0,0,0,0|0,1,0]=3 5238 B12R1.1 COCCSc1ccc(cc1)Cl 62a_100000755918_100000233755 [0,2,0,0,0,0|0,1,0]=3 5239 B12R1.1 COCCSc1ccc(cc1)Cl 7a_100000230527_200000210301 [0,2,0,0,0,0|0,1,0]=3 5240 B12R1.1 COCCSc1ccc(cc1)F 34a_200000230679_200000210301 [0,2,0,0,0,0|0,1,0]=3 5241 B12R1.1 COCCSc1ccc(cc1)F 62a_100000211213_100000233755 [0,2,0,0,0,0|0,1,0]=3 5242 B12R1.1 COCCSc1ccc(cc1)F 62a_100000233755_100000211213 [0,2,0,0,0,0|0,1,0]=3 5243 B12R1.1 COCCSc1ccc(cc1)F 7a_200000230679_200000210301 [0,2,0,0,0,0|0,1,0]=3 5244 B12R1.1 COCCSc1ccc(cc1)N 62a_100000185761_100000233755 [0,2,0,0,0,0|0,1,0]=3 5245 B12R1.1 COCCSc1ccc(cc1)N 62a_100000233755_100000185761 [0,2,0,0,0,0|0,1,0]=3 5246 B12R1.1 COCCSc1ccc(cc1)O 271570a_203496583355_200009813259 [0,2,0,0,0,0|0,1,0]=3 5247 B12R1.1 COCCSc1ccc(cc1)O 62a_100000233755_100000185759 [0,2,0,0,0,0|0,1,0]=3 5248 B12R1.1 COCCSc1ccc(cn1)Br 62a_100000233755_100000686858 [0,2,0,0,0,0|1,1,0]=4 5249 B12R1.1 COCCSc1ccc(cn1)Br 62a_100000686858_100000233755 [0,2,0,0,0,0|1,1,0]=4 5250 B12R1.1 COCCSc1ccc(cn1)C 62a_100000233755_100000754016 [0,2,0,0,0,0|1,1,0]=4 5251 B12R1.1 COCCSc1ccc(cn1)C 62a_100011192072_100000233755 [0,2,0,0,0,0|1,1,0]=4 5252 B12R1.1 COCCSc1ccc(cn1)Cl 62a_100000233755_100011356976 [0,2,0,0,0,0|1,1,0]=4 5253 B12R1.1 COCCSc1ccc(cn1)Cl 62a_100011356976_100000233755 [0,2,0,0,0,0|1,1,0]=4 5254 B12R1.1 COCCSc1ccc(cn1)F 62a_100000233755_100000744514 [0,2,0,0,0,0|1,1,0]=4 5255 B12R1.1 COCCSc1ccc(cn1)F 62a_100000744514_100000233755 [0,2,0,0,0,0|1,1,0]=4 5256 B12R1.1 COCCSc1ccc(cn1)N 62a_100000233755_100000737798 [0,2,0,0,0,0|1,1,0]=4 5257 B12R1.1 COCCSc1ccc(cn1)N 62a_100000737798_100000233755 [0,2,0,0,0,0|1,1,0]=4 5258 B12R1.1 COCCSc1ccc(cn1)O 62a_100000233755_100000744096 [0,2,0,0,0,0|1,1,0]=4 5259 B12R1.1 COCCSc1ccc(cn1)O 62a_100000685995_100000233755 [0,2,0,0,0,0|1,1,0]=4 5260 B12R1.1 COCCSc1ccc(nc1)Br 62a_100000233755_100009814638 [0,2,0,0,0,0|1,1,0]=4 5261 B12R1.1 COCCSc1ccc(nc1)Br 62a_100009814638_100000233755 [0,2,0,0,0,0|1,1,0]=4 5262 B12R1.1 COCCSc1ccc(nc1)C 62a_100000233755_100000751577 [0,2,0,0,0,0|1,1,0]=4 5263 B12R1.1 COCCSc1ccc(nc1)C 62a_100000751577_100000233755 [0,2,0,0,0,0|1,1,0]=4 5264 B12R1.1 COCCSc1ccc(nc1)Cl 62a_100000034144_100000233755 [0,2,0,0,0,0|1,1,0]=4 5265 B12R1.1 COCCSc1ccc(nc1)Cl 62a_100000233755_100000034144 [0,2,0,0,0,0|1,1,0]=4 5266 B12R1.1 COCCSc1ccc(nc1)F 62a_100000042367_100000233755 [0,2,0,0,0,0|1,1,0]=4 5267 B12R1.1 COCCSc1ccc(nc1)F 62a_100000233755_100000042367 [0,2,0,0,0,0|1,1,0]=4 5268 B12R1.1 COCCSc1ccc(nc1)N 62a_100000187370_100000233755 [0,2,0,0,0,0|1,1,0]=4 5269 B12R1.1 COCCSc1ccc(nc1)N 62a_100000233755_100000187370 [0,2,0,0,0,0|1,1,0]=4 5270 B12R1.1 COCNCc1ccc(cc1)Br 2230a_100000174875_100000766300 [0,2,0,0,0,0|2,0,0]=4 5271 B12R1.1 COCNCc1ccc(cc1)C 2230a_100000174908_100000766300 [0,2,0,0,0,0|2,0,0]=4 5272 B12R1.1 COCNCc1ccc(cc1)Cl 2230a_100000174871_100000766300 [0,2,0,0,0,0|2,0,0]=4 5273 B12R1.1 COCNCc1ccc(cc1)F 2230a_100000174882_100000766300 [0,2,0,0,0,0|2,0,0]=4 5274 B12R1.1 COCNCc1ccc(cc1)I 2230a_100016989417_100000766300 [0,2,0,0,0,0|2,0,0]=4 5275 B12R1.1 COCSCc1ccc(cc1)Br 62a_100000189115_100000766300 [0,2,0,0,0,0|2,0,0]=4 5276 B12R1.1 COCSCc1ccc(cc1)Br 62a_100000766300_100000189115 [0,2,0,0,0,0|2,0,0]=4 5277 B12R1.1 COCSCc1ccc(cc1)C 62a_100000210814_100000766300 [0,2,0,0,0,0|2,0,0]=4 5278 B12R1.1 COCSCc1ccc(cc1)C 62a_100000766300_100000210814 [0,2,0,0,0,0|2,0,0]=4 5279 B12R1.1 COCSCc1ccc(cc1)Cl 62a_100000187161_100000766300 [0,2,0,0,0,0|2,0,0]=4 5280 B12R1.1 COCSCc1ccc(cc1)Cl 62a_100000766300_100000187161 [0,2,0,0,0,0|2,0,0]=4 5281 B12R1.1 COCSCc1ccc(cc1)F 62a_100000198546_100000766300 [0,2,0,0,0,0|2,0,0]=4 5282 B12R1.1 COCSCc1ccc(cc1)F 62a_100000766300_100000187164 [0,2,0,0,0,0|2,0,0]=4 5283 B12R1.1 COCSCc1ccc(cc1)I 62a_100000189116_100000766300 [0,2,0,0,0,0|2,0,0]=4 5284 B12R1.1 COCSCc1ccc(cc1)I 62a_100000766300_100000189116 [0,2,0,0,0,0|2,0,0]=4 5285 B12R1.1 CSCCCc1ccc(cc1)Br 62a_100011713682_200000210301 [0,2,0,0,0,0|1,1,0]=4 5286 B12R1.1 CSCCCc1ccc(cc1)Br 62a_200000210301_100011713682 [0,2,0,0,0,0|1,1,0]=4 5287 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_100000759440_200000210301 [0,2,0,0,0,0|1,1,0]=4 5288 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_200000210301_100000759440 [0,2,0,0,0,0|1,1,0]=4 5289 B12R1.1 CSCCCc1ccc(cc1)F 62a_200000210301_200011713563 [0,2,0,0,0,0|1,1,0]=4 5290 B12R1.1 CSCCCc1ccc(cc1)F 62a_200011713563_200000210301 [0,2,0,0,0,0|1,1,0]=4 5291 B12R1.1 CSCCNc1ccc(cc1)Br 2230a_100000210018_100000751147 [0,2,0,0,0,0|1,1,0]=4 5292 B12R1.1 CSCCNc1ccc(cc1)Br 34a_100000210018_100000212216 [0,2,0,0,0,0|1,1,0]=4 5293 B12R1.1 CSCCNc1ccc(cc1)C 34a_100000124888_100000212216 [0,2,0,0,0,0|1,1,0]=4 5294 B12R1.1 CSCCNc1ccc(cc1)Cl 2230a_100000210052_100000751147 [0,2,0,0,0,0|1,1,0]=4 5295 B12R1.1 CSCCNc1ccc(cc1)Cl 34a_100000210052_100000212216 [0,2,0,0,0,0|1,1,0]=4 5296 B12R1.1 CSCCNc1ccc(cc1)F 34a_100000185862_100000212216 [0,2,0,0,0,0|1,1,0]=4 5297 B12R1.1 CSCCNc1ccc(cc1)I 34a_100000185761_100000212216 [0,2,0,0,0,0|1,1,0]=4 5298 B12R1.1 CSCCNc1ccc(cc1)O 34a_100000185829_100000212216 [0,2,0,0,0,0|1,1,0]=4 5299 B12R1.1 CSCCOc1ccc(=O)[nH]c1 34a_100000075641_100000212216 [0,2,0,0,0,0|1,1,0]=4 5300 B12R1.1 CSCCOc1ccc(cc1)Br 34a_100000185759_100000212216 [0,2,0,0,0,0|0,1,0]=3 5301 B12R1.1 CSCCOc1ccc(cc1)Br 62a_100000183278_200000210301 [0,2,0,0,0,0|0,1,0]=3 5302 B12R1.1 CSCCOc1ccc(cc1)Br 62a_200000210301_100000183278 [0,2,0,0,0,0|0,1,0]=3 5303 B12R1.1 CSCCOc1ccc(cc1)Br 7a_100000185759_100000212216 [0,2,0,0,0,0|0,1,0]=3 5304 B12R1.1 CSCCOc1ccc(cc1)C 34a_100000210336_100000212216 [0,2,0,0,0,0|0,1,0]=3 5305 B12R1.1 CSCCOc1ccc(cc1)C 62a_100000183172_200000210301 [0,2,0,0,0,0|0,1,0]=3 5306 B12R1.1 CSCCOc1ccc(cc1)C 62a_200000210301_100000183172 [0,2,0,0,0,0|0,1,0]=3 5307 B12R1.1 CSCCOc1ccc(cc1)C 7a_100000210336_100000212216 [0,2,0,0,0,0|0,1,0]=3 5308 B12R1.1 CSCCOc1ccc(cc1)Cl 34a_100000210216_100000212216 [0,2,0,0,0,0|0,1,0]=3 5309 B12R1.1 CSCCOc1ccc(cc1)Cl 62a_100000184122_200000210301 [0,2,0,0,0,0|0,1,0]=3 5310 B12R1.1 CSCCOc1ccc(cc1)Cl 62a_200000210301_100000184122 [0,2,0,0,0,0|0,1,0]=3 5311 B12R1.1 CSCCOc1ccc(cc1)Cl 7a_100000210216_100000212216 [0,2,0,0,0,0|0,1,0]=3 5312 B12R1.1 CSCCOc1ccc(cc1)F 34a_100000210339_100000212216 [0,2,0,0,0,0|0,1,0]=3 5313 B12R1.1 CSCCOc1ccc(cc1)F 62a_100000184936_200000210301 [0,2,0,0,0,0|0,1,0]=3 5314 B12R1.1 CSCCOc1ccc(cc1)F 62a_200000210301_100000184936 [0,2,0,0,0,0|0,1,0]=3 5315 B12R1.1 CSCCOc1ccc(cc1)I 34a_100000212066_100000212216 [0,2,0,0,0,0|0,1,0]=3 5316 B12R1.1 CSCCOc1ccc(cc1)I 7a_100000212066_100000212216 [0,2,0,0,0,0|0,1,0]=3 5317 B12R1.1 CSCCOc1ccc(cc1)N 34a_100000185829_100000212216 [0,2,0,0,0,0|0,1,0]=3 5318 B12R1.1 CSCCOc1ccc(cn1)C 34a_100000759353_100000212216 [0,2,0,0,0,0|1,1,0]=4 5319 B12R1.1 CSCCOc1ccc(cn1)Cl 34a_100011215309_100000212216 [0,2,0,0,0,0|1,1,0]=4 5320 B12R1.1 CSCCOc1ccc(cn1)F 34a_100000742473_100000212216 [0,2,0,0,0,0|1,1,0]=4 5321 B12R1.1 CSCCOc1ccc(cn1)N 34a_100000729260_100000212216 [0,2,0,0,0,0|1,1,0]=4 5322 B12R1.1 CSCCOc1ccc(nc1)Br 34a_100000685995_100000212216 [0,2,0,0,0,0|1,1,0]=4 5323 B12R1.1 CSCCOc1ccc(nc1)Br 7a_100000685995_100000212216 [0,2,0,0,0,0|1,1,0]=4 5324 B12R1.1 CSCCOc1ccc(nc1)C 34a_100000745506_100000212216 [0,2,0,0,0,0|1,1,0]=4 5325 B12R1.1 CSCCOc1ccc(nc1)C 7a_100000745506_100000212216 [0,2,0,0,0,0|1,1,0]=4 5326 B12R1.1 CSCCOc1ccc(nc1)Cl 34a_100000744096_100000212216 [0,2,0,0,0,0|1,1,0]=4 5327 B12R1.1 CSCCOc1ccc(nc1)Cl 7a_100000744096_100000212216 [0,2,0,0,0,0|1,1,0]=4 5328 B12R1.1 CSCCOc1ccc(nc1)F 34a_100000688820_100000212216 [0,2,0,0,0,0|1,1,0]=4 5329 B12R1.1 CSCCOc1ccc(nc1)F 7a_100000688820_100000212216 [0,2,0,0,0,0|1,1,0]=4 5330 B12R1.1 CSCCOc1ccc(nc1)I 34a_100000687607_100000212216 [0,2,0,0,0,0|1,1,0]=4 5331 B12R1.1 CSCCOc1ccc(nc1)I 7a_100000687607_100000212216 [0,2,0,0,0,0|1,1,0]=4 5332 B12R1.1 CSCCOc1ccc(nc1)N 34a_100015188713_100000212216 [0,2,0,0,0,0|1,1,0]=4 5333 B12R1.1 CSCCOc1ccc(nc1)N 7a_100015188713_100000212216 [0,2,0,0,0,0|1,1,0]=4 5334 B12R1.1 CSCCSc1ccc(cc1)Br 62a_100000212216_100000752885 [0,2,0,0,0,0|0,2,0]=4 5335 B12R1.1 CSCCSc1ccc(cc1)Br 62a_100000752885_100000751147 [0,2,0,0,0,0|0,2,0]=4 5336 B12R1.1 CSCCSc1ccc(cc1)C 62a_100000186775_100000751147 [0,2,0,0,0,0|0,2,0]=4 5337 B12R1.1 CSCCSc1ccc(cc1)C 62a_100000212216_100000186775 [0,2,0,0,0,0|0,2,0]=4 5338 B12R1.1 CSCCSc1ccc(cc1)Cl 62a_100000212216_100000755918 [0,2,0,0,0,0|0,2,0]=4 5339 B12R1.1 CSCCSc1ccc(cc1)Cl 62a_100000755918_100000751147 [0,2,0,0,0,0|0,2,0]=4 5340 B12R1.1 CSCCSc1ccc(cc1)F 62a_100000211213_100000751147 [0,2,0,0,0,0|0,2,0]=4 5341 B12R1.1 CSCCSc1ccc(cc1)F 62a_100000212216_100000211213 [0,2,0,0,0,0|0,2,0]=4 5342 B12R1.1 CSCCSc1ccc(cc1)N 62a_100000185761_100000751147 [0,2,0,0,0,0|0,2,0]=4 5343 B12R1.1 CSCCSc1ccc(cc1)N 62a_100000212216_100000185761 [0,2,0,0,0,0|0,2,0]=4 5344 B12R1.1 CSCCSc1ccc(cc1)O 62a_100000212216_100000185759 [0,2,0,0,0,0|0,2,0]=4 5345 B12R1.1 CSCOCc1ccc(cc1)Br 34a_100000695286_100011218213 [0,2,0,0,0,0|2,0,0]=4 5346 B12R1.1 CSCOCc1ccc(cc1)C 34a_100011215236_100011218213 [0,2,0,0,0,0|2,0,0]=4 5347 B12R1.1 CSCOCc1ccc(cc1)Cl 34a_100000211118_100011218213 [0,2,0,0,0,0|2,0,0]=4 5348 B12R1.1 CSCOCc1ccc(cc1)F 34a_100000210977_100011218213 [0,2,0,0,0,0|2,0,0]=4 5349 B12R1.1 CSCOCc1ccc(cc1)I 34a_100000690907_100011218213 [0,2,0,0,0,0|2,0,0]=4 5350 B12R1.1 CSCOCc1ccc(cc1)N 34a_100011215238_100011218213 [0,2,0,0,0,0|2,0,0]=4 5351 B12R1.1 C[n+]1ccc(cc1)COCCF 34a_100009831711_100011217306 [0,2,0,0,0,0|2,0,0]=4 5352 B12R1.1 C[n+]1ccc(cc1)COCCO 34a_100009831711_100000211926 [0,2,0,0,0,0|1,0,0]=3 5353 B12R1.1 Cc1ccc(cc1)C#CCO[13CH3] 34a_100000696136_200025704644 [0,2,0,0,0,0|1,0,1]=4 5354 B12R1.1 Cc1ccc(cc1)C#CCO[13CH3] 7a_100000696136_200025704644 [0,2,0,0,0,0|1,0,1]=4 5355 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 2230a_100011236272_200025704644 [0,2,0,0,0,0|2,0,0]=4 5356 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 34a_100011236272_200025704644 [0,2,0,0,0,0|2,0,0]=4 5357 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 34a_100000189427_200025704644 [0,2,0,0,0,0|1,0,0]=3 5358 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 7a_100000189427_200025704644 [0,2,0,0,0,0|1,0,0]=3 5359 B12R1.1 Cc1ccc(cc1)CCNCF 34a_100000705350_100015361967 [0,2,0,0,0,0|2,0,0]=4 5360 B12R1.1 Cc1ccc(cc1)CCOCF 34a_100000756670_100015361967 [0,2,0,0,0,0|2,0,0]=4 5361 B12R1.1 Cc1ccc(cc1)CCOCF 7a_100000756670_100015361967 [0,2,0,0,0,0|2,0,0]=4 5362 B12R1.1 Cc1ccc(cc1)CCSCF 62a_100011713686_100015361967 [0,2,0,0,0,0|2,0,0]=4 5363 B12R1.1 Cc1ccc(cc1)CCSCF 62a_100015361967_100011713686 [0,2,0,0,0,0|2,0,0]=4 5364 B12R1.1 Cc1ccc(cc1)CNCCF 2230a_100000174908_100011217306 [0,2,0,0,0,0|2,0,0]=4 5365 B12R1.1 Cc1ccc(cc1)CNCCF 34a_100000174908_100011217306 [0,2,0,0,0,0|2,0,0]=4 5366 B12R1.1 Cc1ccc(cc1)CNCCF 34a_100000724931_100000210814 [0,2,0,0,0,0|2,0,0]=4 5367 B12R1.1 Cc1ccc(cc1)CNCCO 207a_100000210304_100000211033 [0,2,0,0,0,0|1,0,0]=3 5368 B12R1.1 Cc1ccc(cc1)CNCCO 2230a_100000174908_100000211926 [0,2,0,0,0,0|1,0,0]=3 5369 B12R1.1 Cc1ccc(cc1)CNCCO 2230a_100016997473_100000210814 [0,2,0,0,0,0|1,0,0]=3 5370 B12R1.1 Cc1ccc(cc1)CNCCO 270004a_100000210304_100000211033 [0,2,0,0,0,0|1,0,0]=3 5371 B12R1.1 Cc1ccc(cc1)CNCCO 34a_100000174908_100000211926 [0,2,0,0,0,0|1,0,0]=3 5372 B12R1.1 Cc1ccc(cc1)CNCCO 34a_100016990907_100000210814 [0,2,0,0,0,0|1,0,0]=3 5373 B12R1.1 Cc1ccc(cc1)COCC#N 7a_100011215236_100011215382 [0,2,0,0,0,0|1,0,1]=4 5374 B12R1.1 Cc1ccc(cc1)COCC=O 34a_100011215236_200009817547 [0,2,0,0,0,0|0,0,2]=4 5375 B12R1.1 Cc1ccc(cc1)COCC=O 7a_100011215236_200015260668 [0,2,0,0,0,0|0,0,2]=4 5376 B12R1.1 Cc1ccc(cc1)COCCBr 34a_100000211926_100000210814 [0,2,0,0,0,0|1,0,0]=3 5377 B12R1.1 Cc1ccc(cc1)COCCF 34a_100011215236_100011217306 [0,2,0,0,0,0|1,0,0]=3 5378 B12R1.1 Cc1ccc(cc1)COCCF 7a_100011215236_100011217306 [0,2,0,0,0,0|1,0,0]=3 5379 B12R1.1 Cc1ccc(cc1)COCCN 34a_100000210304_100000210814 [0,2,0,0,0,0|1,0,0]=3 5380 B12R1.1 Cc1ccc(cc1)COCCO 34a_100011215236_100000211926 [0,2,0,0,0,0|0,0,0]=2 5381 B12R1.1 Cc1ccc(cc1)COCCO 7a_100011215236_100000211926 [0,2,0,0,0,0|0,0,0]=2 5382 B12R1.1 Cc1ccc(cc1)CSCCF 62a_100000210814_100011217306 [0,2,0,0,0,0|1,1,0]=4 5383 B12R1.1 Cc1ccc(cc1)CSCCF 62a_100011217306_100000210814 [0,2,0,0,0,0|1,1,0]=4 5384 B12R1.1 Cc1ccc(cc1)CSCCO 62a_100000210814_100000211926 [0,2,0,0,0,0|0,1,0]=3 5385 B12R1.1 Cc1ccc(cc1)CSCCO 62a_100000211926_100000210814 [0,2,0,0,0,0|0,1,0]=3 5386 B12R1.1 Cc1ccc(cc1)NCCCF 34a_100000124888_100011934791 [0,2,0,0,0,0|2,0,0]=4 5387 B12R1.1 Cc1ccc(cc1)NCCCO 34a_100000124888_100000230001 [0,2,0,0,0,0|1,0,0]=3 5388 B12R1.1 Cc1ccc(cc1)OCCC#N 7a_100000210336_100000184422 [0,2,0,0,0,0|1,0,0]=3 5389 B12R1.1 Cc1ccc(cc1)OCCCF 34a_100000210336_100011934791 [0,2,0,0,0,0|1,0,0]=3 5390 B12R1.1 Cc1ccc(cc1)OCCCF 7a_100000210336_100011934791 [0,2,0,0,0,0|1,0,0]=3 5391 B12R1.1 Cc1ccc(cc1)OCCCO 34a_100000210336_100000230001 [0,2,0,0,0,0|0,0,0]=2 5392 B12R1.1 Cc1ccc(cc1)OCCCO 7a_100000210336_100011215043 [0,2,0,0,0,0|0,0,0]=2 5393 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 2230a_100020666663_200025704644 [0,2,0,0,0,0|1,0,0]=3 5394 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 34a_100020666663_200025704644 [0,2,0,0,0,0|1,0,0]=3 5395 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 34a_100011219107_200025704644 [0,2,0,0,0,0|0,0,0]=2 5396 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 7a_100011219107_200025704644 [0,2,0,0,0,0|0,0,0]=2 5397 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_100000183172_200025704644 [0,2,0,0,0,0|0,1,0]=3 5398 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_200025704644_100000183172 [0,2,0,0,0,0|0,1,0]=3 5399 B12R1.1 Cc1ccc(cc1)SCCC#N 62a_100000186775_100011215226 [0,2,0,0,0,0|1,1,0]=4 5400 B12R1.1 Cc1ccc(cc1)SCCC#N 62a_100011215226_100000186775 [0,2,0,0,0,0|1,1,0]=4 5401 B12R1.1 Cc1ccc(cc1)SCCCF 62a_100000186775_100011934791 [0,2,0,0,0,0|1,1,0]=4 5402 B12R1.1 Cc1ccc(cc1)SCCCF 62a_100011934791_100000186775 [0,2,0,0,0,0|1,1,0]=4 5403 B12R1.1 Cc1ccc(cc1)SCCCO 62a_100000186775_100011215043 [0,2,0,0,0,0|0,1,0]=3 5404 B12R1.1 Cc1ccc(cc1)SCCCO 62a_100011215043_100000186775 [0,2,0,0,0,0|0,1,0]=3 5405 B12R1.1 Cc1ccc(cc1)SCCN[13CH3] 2230a_100000739754_200025704644 [0,2,0,0,0,0|1,1,0]=4 5406 B12R1.1 Cc1ccc(cc1)SCCO[13CH3] 34a_200000230582_200025704644 [0,2,0,0,0,0|0,1,0]=3 5407 B12R1.1 Cc1ccc(cc1)SCCO[13CH3] 7a_200000230582_200025704644 [0,2,0,0,0,0|0,1,0]=3 5408 B12R1.1 Cc1ccc(cn1)CNCCO 2230a_100016997473_100016987292 [0,2,0,0,0,0|2,0,0]=4 5409 B12R1.1 Cc1ccc(cn1)CNCCO 270004a_100000210304_100000743784 [0,2,0,0,0,0|2,0,0]=4 5410 B12R1.1 Cc1ccc(cn1)CNCCO 34a_100000740942_100000211926 [0,2,0,0,0,0|2,0,0]=4 5411 B12R1.1 Cc1ccc(cn1)CNCCO 34a_100016990907_100016987292 [0,2,0,0,0,0|2,0,0]=4 5412 B12R1.1 Cc1ccc(cn1)COCCBr 34a_100000211926_100016987292 [0,2,0,0,0,0|2,0,0]=4 5413 B12R1.1 Cc1ccc(cn1)COCCF 34a_100011248133_100011217306 [0,2,0,0,0,0|2,0,0]=4 5414 B12R1.1 Cc1ccc(cn1)COCCN 34a_100000210304_100016987292 [0,2,0,0,0,0|2,0,0]=4 5415 B12R1.1 Cc1ccc(cn1)COCCO 34a_100011248133_100000211926 [0,2,0,0,0,0|1,0,0]=3 5416 B12R1.1 Cc1ccc(cn1)CSCCO 62a_100000211926_100016987292 [0,2,0,0,0,0|1,1,0]=4 5417 B12R1.1 Cc1ccc(cn1)CSCCO 62a_100016987292_100000211926 [0,2,0,0,0,0|1,1,0]=4 5418 B12R1.1 Cc1ccc(cn1)OCCC#N 7a_100000745506_100000184422 [0,2,0,0,0,0|2,0,0]=4 5419 B12R1.1 Cc1ccc(cn1)OCCCF 34a_100000745506_100011934791 [0,2,0,0,0,0|2,0,0]=4 5420 B12R1.1 Cc1ccc(cn1)OCCCF 7a_100000745506_100011934791 [0,2,0,0,0,0|2,0,0]=4 5421 B12R1.1 Cc1ccc(cn1)OCCCO 34a_100000745506_100000230001 [0,2,0,0,0,0|1,0,0]=3 5422 B12R1.1 Cc1ccc(cn1)OCCCO 7a_100000745506_100011215043 [0,2,0,0,0,0|1,0,0]=3 5423 B12R1.1 Cc1ccc(cn1)SCCCO 62a_100000751577_100011215043 [0,2,0,0,0,0|1,1,0]=4 5424 B12R1.1 Cc1ccc(cn1)SCCCO 62a_100011215043_100000751577 [0,2,0,0,0,0|1,1,0]=4 5425 B12R1.1 Cc1ccc(nc1)CNCCO 207a_100000210304_100000050478 [0,2,0,0,0,0|2,0,0]=4 5426 B12R1.1 Cc1ccc(nc1)CNCCO 2230a_100016997473_100000691093 [0,2,0,0,0,0|2,0,0]=4 5427 B12R1.1 Cc1ccc(nc1)CNCCO 270004a_100000210304_100000050478 [0,2,0,0,0,0|2,0,0]=4 5428 B12R1.1 Cc1ccc(nc1)CNCCO 34a_100015187455_100000211926 [0,2,0,0,0,0|2,0,0]=4 5429 B12R1.1 Cc1ccc(nc1)CNCCO 34a_100016990907_100000691093 [0,2,0,0,0,0|2,0,0]=4 5430 B12R1.1 Cc1ccc(nc1)COCCBr 34a_100000211926_100000691093 [0,2,0,0,0,0|2,0,0]=4 5431 B12R1.1 Cc1ccc(nc1)COCCF 34a_100012001401_100011217306 [0,2,0,0,0,0|2,0,0]=4 5432 B12R1.1 Cc1ccc(nc1)COCCN 34a_100000210304_100000691093 [0,2,0,0,0,0|2,0,0]=4 5433 B12R1.1 Cc1ccc(nc1)COCCO 34a_100012001401_100000211926 [0,2,0,0,0,0|1,0,0]=3 5434 B12R1.1 Cc1ccc(nc1)CSCCO 62a_100000211926_100000691093 [0,2,0,0,0,0|1,1,0]=4 5435 B12R1.1 Cc1ccc(nc1)CSCCO 62a_100000691093_100000211926 [0,2,0,0,0,0|1,1,0]=4 5436 B12R1.1 Cc1ccc(nc1)OCCCF 34a_100000759353_100011934791 [0,2,0,0,0,0|2,0,0]=4 5437 B12R1.1 Cc1ccc(nc1)OCCCO 34a_100000759353_100000230001 [0,2,0,0,0,0|1,0,0]=3 5438 B12R1.1 Cc1ccc(nc1)SCCCO 62a_100011192072_100011215043 [0,2,0,0,0,0|1,1,0]=4 5439 B12R1.1 Cc1ccc(nc1)SCCCO 62a_100011215043_100000754016 [0,2,0,0,0,0|1,1,0]=4 5440 B12R1.1 Cc1cnc(cn1)COCCO 34a_100011273949_100000211926 [0,2,0,0,0,0|2,0,0]=4 5441 B12R1.1 Cc1ncc(cn1)COCCO 34a_100011746891_100000211926 [0,2,0,0,0,0|2,0,0]=4 5442 B12R1.1 Cc1ncc(cn1)OCCCO 34a_100000062939_100000230001 [0,2,0,0,0,0|2,0,0]=4 5443 B12R1.1 Cc1ncc(cn1)OCCCO 7a_100000062939_100011215043 [0,2,0,0,0,0|2,0,0]=4 5444 B12R1.1 Clc1ccc(cc1)COCCBr 34a_100000211926_100000694040 [0,2,0,0,0,0|1,0,0]=3 5445 B12R1.1 Clc1ccc(cn1)COCCBr 34a_100000211926_100000735431 [0,2,0,0,0,0|2,0,0]=4 5446 B12R1.1 Clc1ccc(nc1)COCCBr 34a_100000211926_100012066911 [0,2,0,0,0,0|2,0,0]=4 5447 B12R1.1 FCCCNc1ccc(cc1)Br 2230a_100000210018_100011934791 [0,2,0,0,0,0|2,0,0]=4 5448 B12R1.1 FCCCNc1ccc(cc1)Br 34a_100000210018_100011934791 [0,2,0,0,0,0|2,0,0]=4 5449 B12R1.1 FCCCNc1ccc(cc1)Cl 2230a_100000210052_100011934791 [0,2,0,0,0,0|2,0,0]=4 5450 B12R1.1 FCCCNc1ccc(cc1)Cl 34a_100000210052_100011934791 [0,2,0,0,0,0|2,0,0]=4 5451 B12R1.1 FCCCNc1ccc(cc1)F 34a_100000185862_100011934791 [0,2,0,0,0,0|2,0,0]=4 5452 B12R1.1 FCCCNc1ccc(cc1)I 34a_100000185761_100011934791 [0,2,0,0,0,0|2,0,0]=4 5453 B12R1.1 FCCCOc1ccc(cc1)Br 34a_100000185759_100011934791 [0,2,0,0,0,0|1,0,0]=3 5454 B12R1.1 FCCCOc1ccc(cc1)Br 7a_100000185759_100011934791 [0,2,0,0,0,0|1,0,0]=3 5455 B12R1.1 FCCCOc1ccc(cc1)Cl 34a_100000210216_100011934791 [0,2,0,0,0,0|1,0,0]=3 5456 B12R1.1 FCCCOc1ccc(cc1)Cl 7a_100000210216_100011934791 [0,2,0,0,0,0|1,0,0]=3 5457 B12R1.1 FCCCOc1ccc(cc1)F 34a_100000210339_100011934791 [0,2,0,0,0,0|1,0,0]=3 5458 B12R1.1 FCCCOc1ccc(cc1)I 34a_100000212066_100011934791 [0,2,0,0,0,0|1,0,0]=3 5459 B12R1.1 FCCCOc1ccc(cc1)I 7a_100000212066_100011934791 [0,2,0,0,0,0|1,0,0]=3 5460 B12R1.1 FCCCOc1ccc(cn1)Cl 34a_100011215309_100011934791 [0,2,0,0,0,0|2,0,0]=4 5461 B12R1.1 FCCCOc1ccc(cn1)F 34a_100000742473_100011934791 [0,2,0,0,0,0|2,0,0]=4 5462 B12R1.1 FCCCOc1ccc(nc1)Br 34a_100000685995_100011934791 [0,2,0,0,0,0|2,0,0]=4 5463 B12R1.1 FCCCOc1ccc(nc1)Br 7a_100000685995_100011934791 [0,2,0,0,0,0|2,0,0]=4 5464 B12R1.1 FCCCOc1ccc(nc1)Cl 34a_100000744096_100011934791 [0,2,0,0,0,0|2,0,0]=4 5465 B12R1.1 FCCCOc1ccc(nc1)Cl 7a_100000744096_100011934791 [0,2,0,0,0,0|2,0,0]=4 5466 B12R1.1 FCCCOc1ccc(nc1)F 34a_100000688820_100011934791 [0,2,0,0,0,0|2,0,0]=4 5467 B12R1.1 FCCCOc1ccc(nc1)F 7a_100000688820_100011934791 [0,2,0,0,0,0|2,0,0]=4 5468 B12R1.1 FCCCOc1ccc(nc1)I 34a_100000687607_100011934791 [0,2,0,0,0,0|2,0,0]=4 5469 B12R1.1 FCCCOc1ccc(nc1)I 7a_100000687607_100011934791 [0,2,0,0,0,0|2,0,0]=4 5470 B12R1.1 FCCCSc1ccc(cc1)Br 62a_100000752885_100011934791 [0,2,0,0,0,0|1,1,0]=4 5471 B12R1.1 FCCCSc1ccc(cc1)Br 62a_100011934791_100000752885 [0,2,0,0,0,0|1,1,0]=4 5472 B12R1.1 FCCCSc1ccc(cc1)Cl 62a_100000755918_100011934791 [0,2,0,0,0,0|1,1,0]=4 5473 B12R1.1 FCCCSc1ccc(cc1)Cl 62a_100011934791_100000755918 [0,2,0,0,0,0|1,1,0]=4 5474 B12R1.1 FCCCSc1ccc(cc1)F 62a_100000211213_100011934791 [0,2,0,0,0,0|1,1,0]=4 5475 B12R1.1 FCCCSc1ccc(cc1)F 62a_100011934791_100000211213 [0,2,0,0,0,0|1,1,0]=4 5476 B12R1.1 FCCNCc1ccc(cc1)Br 2230a_100000174875_100011217306 [0,2,0,0,0,0|2,0,0]=4 5477 B12R1.1 FCCNCc1ccc(cc1)Br 34a_100000174875_100011217306 [0,2,0,0,0,0|2,0,0]=4 5478 B12R1.1 FCCNCc1ccc(cc1)Br 34a_100000724931_100000189115 [0,2,0,0,0,0|2,0,0]=4 5479 B12R1.1 FCCNCc1ccc(cc1)Cl 2230a_100000174871_100011217306 [0,2,0,0,0,0|2,0,0]=4 5480 B12R1.1 FCCNCc1ccc(cc1)Cl 34a_100000174871_100011217306 [0,2,0,0,0,0|2,0,0]=4 5481 B12R1.1 FCCNCc1ccc(cc1)Cl 34a_100000724931_100000694040 [0,2,0,0,0,0|2,0,0]=4 5482 B12R1.1 FCCNCc1ccc(cc1)F 2230a_100000174882_100011217306 [0,2,0,0,0,0|2,0,0]=4 5483 B12R1.1 FCCNCc1ccc(cc1)F 34a_100000174882_100011217306 [0,2,0,0,0,0|2,0,0]=4 5484 B12R1.1 FCCNCc1ccc(cc1)F 34a_100000724931_100000198546 [0,2,0,0,0,0|2,0,0]=4 5485 B12R1.1 FCCNCc1ccc(cc1)I 2230a_100016989417_100011217306 [0,2,0,0,0,0|2,0,0]=4 5486 B12R1.1 FCCNCc1ccc(cc1)I 34a_100000724931_100000189116 [0,2,0,0,0,0|2,0,0]=4 5487 B12R1.1 FCCNCc1ccc(cc1)I 34a_100016989417_100011217306 [0,2,0,0,0,0|2,0,0]=4 5488 B12R1.1 FCCOCc1ccc(cc1)Br 34a_100000695286_100011217306 [0,2,0,0,0,0|1,0,0]=3 5489 B12R1.1 FCCOCc1ccc(cc1)Cl 34a_100000211118_100011217306 [0,2,0,0,0,0|1,0,0]=3 5490 B12R1.1 FCCOCc1ccc(cc1)Cl 7a_100000211118_100011217306 [0,2,0,0,0,0|1,0,0]=3 5491 B12R1.1 FCCOCc1ccc(cc1)F 34a_100000210977_100011217306 [0,2,0,0,0,0|1,0,0]=3 5492 B12R1.1 FCCOCc1ccc(cc1)F 7a_100000210977_100011217306 [0,2,0,0,0,0|1,0,0]=3 5493 B12R1.1 FCCOCc1ccc(cc1)I 34a_100000690907_100011217306 [0,2,0,0,0,0|1,0,0]=3 5494 B12R1.1 FCCOCc1ccc(cc1)I 7a_100000690907_100011217306 [0,2,0,0,0,0|1,0,0]=3 5495 B12R1.1 FCCOCc1ccc(cn1)Br 34a_100000754261_100011217306 [0,2,0,0,0,0|2,0,0]=4 5496 B12R1.1 FCCOCc1ccc(cn1)Cl 34a_100000703999_100011217306 [0,2,0,0,0,0|2,0,0]=4 5497 B12R1.1 FCCOCc1ccc(cn1)F 34a_100011999454_100011217306 [0,2,0,0,0,0|2,0,0]=4 5498 B12R1.1 FCCOCc1ccc(nc1)Br 34a_100009816760_100011217306 [0,2,0,0,0,0|2,0,0]=4 5499 B12R1.1 FCCOCc1ccc(nc1)Br 7a_100009816760_100011217306 [0,2,0,0,0,0|2,0,0]=4 5500 B12R1.1 FCCOCc1ccc(nc1)Cl 34a_100000755211_100011217306 [0,2,0,0,0,0|2,0,0]=4 5501 B12R1.1 FCCOCc1ccc(nc1)Cl 7a_100000755211_100011217306 [0,2,0,0,0,0|2,0,0]=4 5502 B12R1.1 FCCOCc1ccc(nc1)F 34a_100000079959_100011217306 [0,2,0,0,0,0|2,0,0]=4 5503 B12R1.1 FCCSCc1ccc(cc1)Br 62a_100000189115_100011217306 [0,2,0,0,0,0|1,1,0]=4 5504 B12R1.1 FCCSCc1ccc(cc1)Br 62a_100011217306_100000189115 [0,2,0,0,0,0|1,1,0]=4 5505 B12R1.1 FCCSCc1ccc(cc1)Cl 62a_100000187161_100011217306 [0,2,0,0,0,0|1,1,0]=4 5506 B12R1.1 FCCSCc1ccc(cc1)Cl 62a_100011217306_100000187161 [0,2,0,0,0,0|1,1,0]=4 5507 B12R1.1 FCCSCc1ccc(cc1)F 62a_100000198546_100011217306 [0,2,0,0,0,0|1,1,0]=4 5508 B12R1.1 FCCSCc1ccc(cc1)F 62a_100011217306_100000187164 [0,2,0,0,0,0|1,1,0]=4 5509 B12R1.1 FCCSCc1ccc(cc1)I 62a_100000189116_100011217306 [0,2,0,0,0,0|1,1,0]=4 5510 B12R1.1 FCCSCc1ccc(cc1)I 62a_100011217306_100000189116 [0,2,0,0,0,0|1,1,0]=4 5511 B12R1.1 FCNCCc1ccc(cc1)Br 34a_100000755846_100015361967 [0,2,0,0,0,0|2,0,0]=4 5512 B12R1.1 FCNCCc1ccc(cc1)Cl 34a_100000185265_100015361967 [0,2,0,0,0,0|2,0,0]=4 5513 B12R1.1 FCNCCc1ccc(cc1)F 34a_100000199005_100015361967 [0,2,0,0,0,0|2,0,0]=4 5514 B12R1.1 FCOCCc1ccc(cc1)Br 34a_100000766406_100015361967 [0,2,0,0,0,0|2,0,0]=4 5515 B12R1.1 FCOCCc1ccc(cc1)Br 7a_100000766406_100015361967 [0,2,0,0,0,0|2,0,0]=4 5516 B12R1.1 FCOCCc1ccc(cc1)Cl 34a_100011219627_100015361967 [0,2,0,0,0,0|2,0,0]=4 5517 B12R1.1 FCOCCc1ccc(cc1)Cl 7a_100011219627_100015361967 [0,2,0,0,0,0|2,0,0]=4 5518 B12R1.1 FCOCCc1ccc(cc1)F 34a_100000754732_100015361967 [0,2,0,0,0,0|2,0,0]=4 5519 B12R1.1 FCOCCc1ccc(cc1)F 7a_100000754732_100015361967 [0,2,0,0,0,0|2,0,0]=4 5520 B12R1.1 FCOCCc1ccc(cc1)I 34a_100012291149_100015361967 [0,2,0,0,0,0|2,0,0]=4 5521 B12R1.1 FCOCCc1ccc(cc1)I 7a_100012291149_100015361967 [0,2,0,0,0,0|2,0,0]=4 5522 B12R1.1 FCSCCc1ccc(cc1)Br 62a_100011740612_100015361967 [0,2,0,0,0,0|2,0,0]=4 5523 B12R1.1 FCSCCc1ccc(cc1)Br 62a_100015361967_100011740612 [0,2,0,0,0,0|2,0,0]=4 5524 B12R1.1 FCSCCc1ccc(cc1)Cl 62a_100011713675_100015361967 [0,2,0,0,0,0|2,0,0]=4 5525 B12R1.1 FCSCCc1ccc(cc1)Cl 62a_100015361967_100011713675 [0,2,0,0,0,0|2,0,0]=4 5526 B12R1.1 FCSCCc1ccc(cc1)F 62a_100011217392_100015361967 [0,2,0,0,0,0|2,0,0]=4 5527 B12R1.1 FCSCCc1ccc(cc1)F 62a_100015361967_100011217392 [0,2,0,0,0,0|2,0,0]=4 5528 B12R1.1 Fc1ccc(cc1)COCCBr 34a_100000211926_100000198546 [0,2,0,0,0,0|1,0,0]=3 5529 B12R1.1 Fc1ccc(cn1)COCCBr 34a_100000211926_100000099788 [0,2,0,0,0,0|2,0,0]=4 5530 B12R1.1 Fc1ccc(nc1)COCCBr 34a_100000211926_100000703193 [0,2,0,0,0,0|2,0,0]=4 5531 B12R1.1 N#CCCNc1ccc(cc1)Br 2230a_100000210018_100011215226 [0,2,0,0,0,0|2,0,0]=4 5532 B12R1.1 N#CCCNc1ccc(cc1)Cl 2230a_100000210052_100011215226 [0,2,0,0,0,0|2,0,0]=4 5533 B12R1.1 N#CCCOc1ccc(cc1)Br 7a_100000185759_100000184422 [0,2,0,0,0,0|1,0,0]=3 5534 B12R1.1 N#CCCOc1ccc(cc1)Cl 7a_100000210216_100000184422 [0,2,0,0,0,0|1,0,0]=3 5535 B12R1.1 N#CCCOc1ccc(cc1)I 7a_100000212066_100000184422 [0,2,0,0,0,0|1,0,0]=3 5536 B12R1.1 N#CCCOc1ccc(cc1)O 271570a_203496583355_100000172056 [0,2,0,0,0,0|1,0,0]=3 5537 B12R1.1 N#CCCOc1ccc(nc1)Br 7a_100000685995_100000184422 [0,2,0,0,0,0|2,0,0]=4 5538 B12R1.1 N#CCCOc1ccc(nc1)Cl 7a_100000744096_100000184422 [0,2,0,0,0,0|2,0,0]=4 5539 B12R1.1 N#CCCOc1ccc(nc1)F 7a_100000688820_100000184422 [0,2,0,0,0,0|2,0,0]=4 5540 B12R1.1 N#CCCOc1ccc(nc1)I 7a_100000687607_100000184422 [0,2,0,0,0,0|2,0,0]=4 5541 B12R1.1 N#CCCOc1ccc(nc1)N 7a_100015188713_100000184422 [0,2,0,0,0,0|2,0,0]=4 5542 B12R1.1 N#CCCSc1ccc(cc1)Br 62a_100000752885_100011215226 [0,2,0,0,0,0|1,1,0]=4 5543 B12R1.1 N#CCCSc1ccc(cc1)Br 62a_100011215226_100000752885 [0,2,0,0,0,0|1,1,0]=4 5544 B12R1.1 N#CCCSc1ccc(cc1)Cl 62a_100000755918_100011215226 [0,2,0,0,0,0|1,1,0]=4 5545 B12R1.1 N#CCCSc1ccc(cc1)Cl 62a_100011215226_100000755918 [0,2,0,0,0,0|1,1,0]=4 5546 B12R1.1 N#CCCSc1ccc(cc1)F 62a_100000211213_100011215226 [0,2,0,0,0,0|1,1,0]=4 5547 B12R1.1 N#CCCSc1ccc(cc1)F 62a_100011215226_100000211213 [0,2,0,0,0,0|1,1,0]=4 5548 B12R1.1 N#CCCSc1ccc(cc1)N 62a_100000185761_100011215226 [0,2,0,0,0,0|1,1,0]=4 5549 B12R1.1 N#CCCSc1ccc(cc1)N 62a_100011215226_100000185761 [0,2,0,0,0,0|1,1,0]=4 5550 B12R1.1 N#CCCSc1ccc(cc1)O 62a_100011215226_100000185759 [0,2,0,0,0,0|1,1,0]=4 5551 B12R1.1 N#CCOCc1ccc(cc1)Cl 7a_100000211118_100011215382 [0,2,0,0,0,0|1,0,1]=4 5552 B12R1.1 N#CCOCc1ccc(cc1)F 7a_100000210977_100011215382 [0,2,0,0,0,0|1,0,1]=4 5553 B12R1.1 N#CCOCc1ccc(cc1)I 7a_100000690907_100011215382 [0,2,0,0,0,0|1,0,1]=4 5554 B12R1.1 NCCOCc1ccc(cc1)Br 34a_100000210304_100000189115 [0,2,0,0,0,0|1,0,0]=3 5555 B12R1.1 NCCOCc1ccc(cc1)Cl 34a_100000210304_100000694040 [0,2,0,0,0,0|1,0,0]=3 5556 B12R1.1 NCCOCc1ccc(cc1)F 34a_100000210304_100000198546 [0,2,0,0,0,0|1,0,0]=3 5557 B12R1.1 NCCOCc1ccc(cc1)I 34a_100000210304_100000189116 [0,2,0,0,0,0|1,0,0]=3 5558 B12R1.1 NCCOCc1ccc(cn1)Br 34a_100000210304_100000702658 [0,2,0,0,0,0|2,0,0]=4 5559 B12R1.1 NCCOCc1ccc(cn1)Cl 34a_100000210304_100012066911 [0,2,0,0,0,0|2,0,0]=4 5560 B12R1.1 NCCOCc1ccc(cn1)F 34a_100000210304_100000703193 [0,2,0,0,0,0|2,0,0]=4 5561 B12R1.1 NCCOCc1ccc(nc1)Br 34a_100000210304_100009831999 [0,2,0,0,0,0|2,0,0]=4 5562 B12R1.1 NCCOCc1ccc(nc1)Cl 34a_100000210304_100000735431 [0,2,0,0,0,0|2,0,0]=4 5563 B12R1.1 NCCOCc1ccc(nc1)F 34a_100000210304_100000099788 [0,2,0,0,0,0|2,0,0]=4 5564 B12R1.1 Nc1ccc(cc1)CCOCF 34a_100011204434_100015361967 [0,2,0,0,0,0|2,0,0]=4 5565 B12R1.1 Nc1ccc(cc1)COCC=O 34a_100011215238_200009817547 [0,2,0,0,0,0|0,0,2]=4 5566 B12R1.1 Nc1ccc(cc1)COCCF 34a_100011215238_100011217306 [0,2,0,0,0,0|1,0,0]=3 5567 B12R1.1 Nc1ccc(cc1)COCCO 34a_100011215238_100000211926 [0,2,0,0,0,0|0,0,0]=2 5568 B12R1.1 Nc1ccc(cc1)OCCCF 34a_100000185829_100011934791 [0,2,0,0,0,0|1,0,0]=3 5569 B12R1.1 Nc1ccc(cc1)OCCCO 34a_100000185829_100000230001 [0,2,0,0,0,0|0,0,0]=2 5570 B12R1.1 Nc1ccc(cc1)SCCCF 62a_100000185761_100011934791 [0,2,0,0,0,0|1,1,0]=4 5571 B12R1.1 Nc1ccc(cc1)SCCCF 62a_100011934791_100000185761 [0,2,0,0,0,0|1,1,0]=4 5572 B12R1.1 Nc1ccc(cc1)SCCCO 62a_100000185761_100011215043 [0,2,0,0,0,0|0,1,0]=3 5573 B12R1.1 Nc1ccc(cc1)SCCCO 62a_100011215043_100000185761 [0,2,0,0,0,0|0,1,0]=3 5574 B12R1.1 Nc1ccc(cn1)COCCF 34a_100000704267_100011217306 [0,2,0,0,0,0|2,0,0]=4 5575 B12R1.1 Nc1ccc(cn1)COCCO 34a_100000704267_100000211926 [0,2,0,0,0,0|1,0,0]=3 5576 B12R1.1 Nc1ccc(cn1)OCCCF 34a_100015188713_100011934791 [0,2,0,0,0,0|2,0,0]=4 5577 B12R1.1 Nc1ccc(cn1)OCCCF 7a_100015188713_100011934791 [0,2,0,0,0,0|2,0,0]=4 5578 B12R1.1 Nc1ccc(cn1)OCCCO 34a_100015188713_100000230001 [0,2,0,0,0,0|1,0,0]=3 5579 B12R1.1 Nc1ccc(cn1)OCCCO 7a_100015188713_100011215043 [0,2,0,0,0,0|1,0,0]=3 5580 B12R1.1 Nc1ccc(cn1)SCCCO 62a_100000187370_100011215043 [0,2,0,0,0,0|1,1,0]=4 5581 B12R1.1 Nc1ccc(cn1)SCCCO 62a_100011215043_100000187370 [0,2,0,0,0,0|1,1,0]=4 5582 B12R1.1 Nc1ccc(nc1)COCCF 34a_100011998161_100011217306 [0,2,0,0,0,0|2,0,0]=4 5583 B12R1.1 Nc1ccc(nc1)COCCO 34a_100011998161_100000211926 [0,2,0,0,0,0|1,0,0]=3 5584 B12R1.1 Nc1ccc(nc1)OCCCF 34a_100000729260_100011934791 [0,2,0,0,0,0|2,0,0]=4 5585 B12R1.1 Nc1ccc(nc1)OCCCO 34a_100000729260_100000230001 [0,2,0,0,0,0|1,0,0]=3 5586 B12R1.1 Nc1ccc(nc1)SCCCO 62a_100000737798_100011215043 [0,2,0,0,0,0|1,1,0]=4 5587 B12R1.1 Nc1ccc(nc1)SCCCO 62a_100011215043_100000737798 [0,2,0,0,0,0|1,1,0]=4 5588 B12R1.1 Nc1ncc(cn1)OCCCO 34a_100000087137_100000230001 [0,2,0,0,0,0|2,0,0]=4 5589 B12R1.1 Nc1ncc(cn1)OCCCO 7a_100000087137_100011215043 [0,2,0,0,0,0|2,0,0]=4 5590 B12R1.1 O=CCOCc1ccc(cc1)Br 34a_100000695286_200009817547 [0,2,0,0,0,0|0,0,2]=4 5591 B12R1.1 O=CCOCc1ccc(cc1)Cl 34a_100000211118_200009817547 [0,2,0,0,0,0|0,0,2]=4 5592 B12R1.1 O=CCOCc1ccc(cc1)Cl 7a_100000211118_200015260668 [0,2,0,0,0,0|0,0,2]=4 5593 B12R1.1 O=CCOCc1ccc(cc1)F 34a_100000210977_200009817547 [0,2,0,0,0,0|0,0,2]=4 5594 B12R1.1 O=CCOCc1ccc(cc1)F 7a_100000210977_200015260668 [0,2,0,0,0,0|0,0,2]=4 5595 B12R1.1 O=CCOCc1ccc(cc1)I 34a_100000690907_200009817547 [0,2,0,0,0,0|0,0,2]=4 5596 B12R1.1 O=CCOCc1ccc(cc1)I 7a_100000690907_200015260668 [0,2,0,0,0,0|0,0,2]=4 5597 B12R1.1 O=c1ccc(c[nH]1)COCCF 34a_100011999846_100011217306 [0,2,0,0,0,0|2,0,0]=4 5598 B12R1.1 O=c1ccc(c[nH]1)COCCO 34a_100011999846_100000211926 [0,2,0,0,0,0|1,0,0]=3 5599 B12R1.1 O=c1ccc(c[nH]1)OCCCF 34a_100000075641_100011934791 [0,2,0,0,0,0|2,0,0]=4 5600 B12R1.1 O=c1ccc(c[nH]1)OCCCO 34a_100000075641_100000230001 [0,2,0,0,0,0|1,0,0]=3 5601 B12R1.1 O=c1ccc(c[nH]1)SCCCO 62a_100000212171_100011215043 [0,2,0,0,0,0|1,1,0]=4 5602 B12R1.1 O=c1ccc(c[nH]1)SCCCO 62a_100011215043_100000212171 [0,2,0,0,0,0|1,1,0]=4 5603 B12R1.1 OCCCNc1ccc(cc1)Br 2230a_100000210018_100000230001 [0,2,0,0,0,0|1,0,0]=3 5604 B12R1.1 OCCCNc1ccc(cc1)Br 34a_100000210018_100000230001 [0,2,0,0,0,0|1,0,0]=3 5605 B12R1.1 OCCCNc1ccc(cc1)Cl 2230a_100000210052_100000230001 [0,2,0,0,0,0|1,0,0]=3 5606 B12R1.1 OCCCNc1ccc(cc1)Cl 34a_100000210052_100000230001 [0,2,0,0,0,0|1,0,0]=3 5607 B12R1.1 OCCCNc1ccc(cc1)F 34a_100000185862_100000230001 [0,2,0,0,0,0|1,0,0]=3 5608 B12R1.1 OCCCNc1ccc(cc1)I 34a_100000185761_100000230001 [0,2,0,0,0,0|1,0,0]=3 5609 B12R1.1 OCCCNc1ccc(cc1)O 34a_100000185829_100000230001 [0,2,0,0,0,0|1,0,0]=3 5610 B12R1.1 OCCCNc1ccc(cn1)Br 27a_100000182051_100000686858 [0,2,0,0,0,0|2,0,0]=4 5611 B12R1.1 OCCCOc1ccc(cc1)Br 34a_100000185759_100000230001 [0,2,0,0,0,0|0,0,0]=2 5612 B12R1.1 OCCCOc1ccc(cc1)Br 7a_100000185759_100011215043 [0,2,0,0,0,0|0,0,0]=2 5613 B12R1.1 OCCCOc1ccc(cc1)Cl 34a_100000210216_100000230001 [0,2,0,0,0,0|0,0,0]=2 5614 B12R1.1 OCCCOc1ccc(cc1)Cl 7a_100000210216_100011215043 [0,2,0,0,0,0|0,0,0]=2 5615 B12R1.1 OCCCOc1ccc(cc1)F 34a_100000210339_100000230001 [0,2,0,0,0,0|0,0,0]=2 5616 B12R1.1 OCCCOc1ccc(cc1)I 34a_100000212066_100000230001 [0,2,0,0,0,0|0,0,0]=2 5617 B12R1.1 OCCCOc1ccc(cc1)I 7a_100000212066_100011215043 [0,2,0,0,0,0|0,0,0]=2 5618 B12R1.1 OCCCOc1ccc(cc1)O 271570a_203496583355_100000756186 [0,2,0,0,0,0|0,0,0]=2 5619 B12R1.1 OCCCOc1ccc(cn1)Cl 34a_100011215309_100000230001 [0,2,0,0,0,0|1,0,0]=3 5620 B12R1.1 OCCCOc1ccc(cn1)F 34a_100000742473_100000230001 [0,2,0,0,0,0|1,0,0]=3 5621 B12R1.1 OCCCOc1ccc(nc1)Br 34a_100000685995_100000230001 [0,2,0,0,0,0|1,0,0]=3 5622 B12R1.1 OCCCOc1ccc(nc1)Br 7a_100000685995_100011215043 [0,2,0,0,0,0|1,0,0]=3 5623 B12R1.1 OCCCOc1ccc(nc1)Cl 34a_100000744096_100000230001 [0,2,0,0,0,0|1,0,0]=3 5624 B12R1.1 OCCCOc1ccc(nc1)Cl 7a_100000744096_100011215043 [0,2,0,0,0,0|1,0,0]=3 5625 B12R1.1 OCCCOc1ccc(nc1)F 34a_100000688820_100000230001 [0,2,0,0,0,0|1,0,0]=3 5626 B12R1.1 OCCCOc1ccc(nc1)F 7a_100000688820_100011215043 [0,2,0,0,0,0|1,0,0]=3 5627 B12R1.1 OCCCOc1ccc(nc1)I 34a_100000687607_100000230001 [0,2,0,0,0,0|1,0,0]=3 5628 B12R1.1 OCCCOc1ccc(nc1)I 7a_100000687607_100011215043 [0,2,0,0,0,0|1,0,0]=3 5629 B12R1.1 OCCCOc1cnc(cn1)Br 34a_100011934580_100000230001 [0,2,0,0,0,0|2,0,0]=4 5630 B12R1.1 OCCCOc1cnc(cn1)Cl 34a_100015839800_100000230001 [0,2,0,0,0,0|2,0,0]=4 5631 B12R1.1 OCCCOc1cnc(nc1)Br 34a_100000730009_100000230001 [0,2,0,0,0,0|2,0,0]=4 5632 B12R1.1 OCCCOc1cnc(nc1)Br 7a_100000730009_100011215043 [0,2,0,0,0,0|2,0,0]=4 5633 B12R1.1 OCCCOc1cnc(nc1)Cl 34a_100000092845_100000230001 [0,2,0,0,0,0|2,0,0]=4 5634 B12R1.1 OCCCOc1cnc(nc1)Cl 7a_100000092845_100011215043 [0,2,0,0,0,0|2,0,0]=4 5635 B12R1.1 OCCCOc1cnc(nc1)F 34a_200009874573_100000230001 [0,2,0,0,0,0|2,0,0]=4 5636 B12R1.1 OCCCOc1cnc(nc1)F 7a_200009874573_100011215043 [0,2,0,0,0,0|2,0,0]=4 5637 B12R1.1 OCCCOc1ncc(cn1)F 34a_100011934040_100000230001 [0,2,0,0,0,0|2,0,0]=4 5638 B12R1.1 OCCCSc1ccc(cc1)Br 62a_100000752885_100011215043 [0,2,0,0,0,0|0,1,0]=3 5639 B12R1.1 OCCCSc1ccc(cc1)Br 62a_100011215043_100000752885 [0,2,0,0,0,0|0,1,0]=3 5640 B12R1.1 OCCCSc1ccc(cc1)Cl 62a_100000755918_100011215043 [0,2,0,0,0,0|0,1,0]=3 5641 B12R1.1 OCCCSc1ccc(cc1)Cl 62a_100011215043_100000755918 [0,2,0,0,0,0|0,1,0]=3 5642 B12R1.1 OCCCSc1ccc(cc1)F 62a_100000211213_100011215043 [0,2,0,0,0,0|0,1,0]=3 5643 B12R1.1 OCCCSc1ccc(cc1)F 62a_100011215043_100000211213 [0,2,0,0,0,0|0,1,0]=3 5644 B12R1.1 OCCCSc1ccc(cc1)O 62a_100011215043_100000185759 [0,2,0,0,0,0|0,1,0]=3 5645 B12R1.1 OCCCSc1ccc(cn1)Br 62a_100000686858_100011215043 [0,2,0,0,0,0|1,1,0]=4 5646 B12R1.1 OCCCSc1ccc(cn1)Br 62a_100011215043_100000686858 [0,2,0,0,0,0|1,1,0]=4 5647 B12R1.1 OCCCSc1ccc(cn1)Cl 62a_100011215043_100011356976 [0,2,0,0,0,0|1,1,0]=4 5648 B12R1.1 OCCCSc1ccc(cn1)Cl 62a_100011356976_100011215043 [0,2,0,0,0,0|1,1,0]=4 5649 B12R1.1 OCCCSc1ccc(cn1)F 62a_100000744514_100011215043 [0,2,0,0,0,0|1,1,0]=4 5650 B12R1.1 OCCCSc1ccc(cn1)F 62a_100011215043_100000744514 [0,2,0,0,0,0|1,1,0]=4 5651 B12R1.1 OCCCSc1ccc(cn1)O 62a_100000685995_100011215043 [0,2,0,0,0,0|1,1,0]=4 5652 B12R1.1 OCCCSc1ccc(cn1)O 62a_100011215043_100000744096 [0,2,0,0,0,0|1,1,0]=4 5653 B12R1.1 OCCCSc1ccc(nc1)Br 62a_100009814638_100011215043 [0,2,0,0,0,0|1,1,0]=4 5654 B12R1.1 OCCCSc1ccc(nc1)Br 62a_100011215043_100009814638 [0,2,0,0,0,0|1,1,0]=4 5655 B12R1.1 OCCCSc1ccc(nc1)Cl 62a_100000034144_100011215043 [0,2,0,0,0,0|1,1,0]=4 5656 B12R1.1 OCCCSc1ccc(nc1)Cl 62a_100011215043_100000034144 [0,2,0,0,0,0|1,1,0]=4 5657 B12R1.1 OCCCSc1ccc(nc1)F 62a_100000042367_100011215043 [0,2,0,0,0,0|1,1,0]=4 5658 B12R1.1 OCCCSc1ccc(nc1)F 62a_100011215043_100000042367 [0,2,0,0,0,0|1,1,0]=4 5659 B12R1.1 OCCNCc1ccc(cc1)Br 207a_100000210304_100000186029 [0,2,0,0,0,0|1,0,0]=3 5660 B12R1.1 OCCNCc1ccc(cc1)Br 2230a_100000174875_100000211926 [0,2,0,0,0,0|1,0,0]=3 5661 B12R1.1 OCCNCc1ccc(cc1)Br 2230a_100016997473_100011217064 [0,2,0,0,0,0|1,0,0]=3 5662 B12R1.1 OCCNCc1ccc(cc1)Br 270004a_100000210304_100000186029 [0,2,0,0,0,0|1,0,0]=3 5663 B12R1.1 OCCNCc1ccc(cc1)Br 34a_100000174875_100000211926 [0,2,0,0,0,0|1,0,0]=3 5664 B12R1.1 OCCNCc1ccc(cc1)Br 34a_100016990907_100000189115 [0,2,0,0,0,0|1,0,0]=3 5665 B12R1.1 OCCNCc1ccc(cc1)Cl 207a_100000210304_100000189385 [0,2,0,0,0,0|1,0,0]=3 5666 B12R1.1 OCCNCc1ccc(cc1)Cl 2230a_100000174871_100000211926 [0,2,0,0,0,0|1,0,0]=3 5667 B12R1.1 OCCNCc1ccc(cc1)Cl 2230a_100016997473_100000694040 [0,2,0,0,0,0|1,0,0]=3 5668 B12R1.1 OCCNCc1ccc(cc1)Cl 270004a_100000210304_100000189385 [0,2,0,0,0,0|1,0,0]=3 5669 B12R1.1 OCCNCc1ccc(cc1)Cl 34a_100000174871_100000211926 [0,2,0,0,0,0|1,0,0]=3 5670 B12R1.1 OCCNCc1ccc(cc1)Cl 34a_100016990907_100000694040 [0,2,0,0,0,0|1,0,0]=3 5671 B12R1.1 OCCNCc1ccc(cc1)F 207a_100000210304_100000210084 [0,2,0,0,0,0|1,0,0]=3 5672 B12R1.1 OCCNCc1ccc(cc1)F 2230a_100000174882_100000211926 [0,2,0,0,0,0|1,0,0]=3 5673 B12R1.1 OCCNCc1ccc(cc1)F 2230a_100016997473_100000198546 [0,2,0,0,0,0|1,0,0]=3 5674 B12R1.1 OCCNCc1ccc(cc1)F 270004a_100000210304_100000210084 [0,2,0,0,0,0|1,0,0]=3 5675 B12R1.1 OCCNCc1ccc(cc1)F 34a_100000174882_100000211926 [0,2,0,0,0,0|1,0,0]=3 5676 B12R1.1 OCCNCc1ccc(cc1)F 34a_100016990907_100000198546 [0,2,0,0,0,0|1,0,0]=3 5677 B12R1.1 OCCNCc1ccc(cc1)I 207a_100000210304_100000188517 [0,2,0,0,0,0|1,0,0]=3 5678 B12R1.1 OCCNCc1ccc(cc1)I 2230a_100016989417_100000211926 [0,2,0,0,0,0|1,0,0]=3 5679 B12R1.1 OCCNCc1ccc(cc1)I 2230a_100016997473_100000189116 [0,2,0,0,0,0|1,0,0]=3 5680 B12R1.1 OCCNCc1ccc(cc1)I 34a_100016989417_100000211926 [0,2,0,0,0,0|1,0,0]=3 5681 B12R1.1 OCCNCc1ccc(cc1)I 34a_100016990907_100000189116 [0,2,0,0,0,0|1,0,0]=3 5682 B12R1.1 OCCNCc1ccc(cc1)O 271570a_203496583355_100000186819 [0,2,0,0,0,0|1,0,0]=3 5683 B12R1.1 OCCNCc1ccc(cc1)O 34a_100000185549_100000211926 [0,2,0,0,0,0|1,0,0]=3 5684 B12R1.1 OCCNCc1ccc(cn1)Br 207a_100000210304_100000754260 [0,2,0,0,0,0|2,0,0]=4 5685 B12R1.1 OCCNCc1ccc(cn1)Br 2230a_100016997473_100000702658 [0,2,0,0,0,0|2,0,0]=4 5686 B12R1.1 OCCNCc1ccc(cn1)Br 270004a_100000210304_100000754260 [0,2,0,0,0,0|2,0,0]=4 5687 B12R1.1 OCCNCc1ccc(cn1)Br 34a_100015188789_100000211926 [0,2,0,0,0,0|2,0,0]=4 5688 B12R1.1 OCCNCc1ccc(cn1)Br 34a_100016990907_100000702658 [0,2,0,0,0,0|2,0,0]=4 5689 B12R1.1 OCCNCc1ccc(cn1)Cl 207a_100000210304_100011361569 [0,2,0,0,0,0|2,0,0]=4 5690 B12R1.1 OCCNCc1ccc(cn1)Cl 2230a_100016997473_100012066911 [0,2,0,0,0,0|2,0,0]=4 5691 B12R1.1 OCCNCc1ccc(cn1)Cl 270004a_100000210304_100011361569 [0,2,0,0,0,0|2,0,0]=4 5692 B12R1.1 OCCNCc1ccc(cn1)Cl 34a_100000697193_100000211926 [0,2,0,0,0,0|2,0,0]=4 5693 B12R1.1 OCCNCc1ccc(cn1)Cl 34a_100016990907_100012066911 [0,2,0,0,0,0|2,0,0]=4 5694 B12R1.1 OCCNCc1ccc(cn1)F 207a_100000210304_100011934744 [0,2,0,0,0,0|2,0,0]=4 5695 B12R1.1 OCCNCc1ccc(cn1)F 2230a_100016997473_100000703193 [0,2,0,0,0,0|2,0,0]=4 5696 B12R1.1 OCCNCc1ccc(cn1)F 270004a_100000210304_100011934744 [0,2,0,0,0,0|2,0,0]=4 5697 B12R1.1 OCCNCc1ccc(cn1)F 34a_100016990907_100000703193 [0,2,0,0,0,0|2,0,0]=4 5698 B12R1.1 OCCNCc1ccc(cn1)F 34a_100020620131_100000211926 [0,2,0,0,0,0|2,0,0]=4 5699 B12R1.1 OCCNCc1ccc(nc1)Br 2230a_100009817727_100000211926 [0,2,0,0,0,0|2,0,0]=4 5700 B12R1.1 OCCNCc1ccc(nc1)Br 2230a_100016997473_100009831999 [0,2,0,0,0,0|2,0,0]=4 5701 B12R1.1 OCCNCc1ccc(nc1)Br 34a_100009817727_100000211926 [0,2,0,0,0,0|2,0,0]=4 5702 B12R1.1 OCCNCc1ccc(nc1)Br 34a_100016990907_100009831999 [0,2,0,0,0,0|2,0,0]=4 5703 B12R1.1 OCCNCc1ccc(nc1)Cl 2230a_100000735879_100000211926 [0,2,0,0,0,0|2,0,0]=4 5704 B12R1.1 OCCNCc1ccc(nc1)Cl 2230a_100016997473_100000735431 [0,2,0,0,0,0|2,0,0]=4 5705 B12R1.1 OCCNCc1ccc(nc1)Cl 34a_100000735879_100000211926 [0,2,0,0,0,0|2,0,0]=4 5706 B12R1.1 OCCNCc1ccc(nc1)Cl 34a_100016990907_100000735431 [0,2,0,0,0,0|2,0,0]=4 5707 B12R1.1 OCCNCc1ccc(nc1)F 2230a_100000101913_100000211926 [0,2,0,0,0,0|2,0,0]=4 5708 B12R1.1 OCCNCc1ccc(nc1)F 2230a_100016997473_100009820150 [0,2,0,0,0,0|2,0,0]=4 5709 B12R1.1 OCCNCc1ccc(nc1)F 34a_100000101913_100000211926 [0,2,0,0,0,0|2,0,0]=4 5710 B12R1.1 OCCNCc1ccc(nc1)F 34a_100016990907_100000099788 [0,2,0,0,0,0|2,0,0]=4 5711 B12R1.1 OCCNCc1ccc(nc1)O 207a_100000210304_100011361521 [0,2,0,0,0,0|2,0,0]=4 5712 B12R1.1 OCCNCc1ccc(nc1)O 2230a_100000757128_100000211926 [0,2,0,0,0,0|2,0,0]=4 5713 B12R1.1 OCCOCc1ccc(cc1)Br 34a_100000695286_100000211926 [0,2,0,0,0,0|0,0,0]=2 5714 B12R1.1 OCCOCc1ccc(cc1)Cl 34a_100000211118_100000211926 [0,2,0,0,0,0|0,0,0]=2 5715 B12R1.1 OCCOCc1ccc(cc1)Cl 7a_100000211118_100000211926 [0,2,0,0,0,0|0,0,0]=2 5716 B12R1.1 OCCOCc1ccc(cc1)F 34a_100000210977_100000211926 [0,2,0,0,0,0|0,0,0]=2 5717 B12R1.1 OCCOCc1ccc(cc1)F 7a_100000210977_100000211926 [0,2,0,0,0,0|0,0,0]=2 5718 B12R1.1 OCCOCc1ccc(cc1)I 34a_100000690907_100000211926 [0,2,0,0,0,0|0,0,0]=2 5719 B12R1.1 OCCOCc1ccc(cc1)I 7a_100000690907_100000211926 [0,2,0,0,0,0|0,0,0]=2 5720 B12R1.1 OCCOCc1ccc(cn1)Br 34a_100000754261_100000211926 [0,2,0,0,0,0|1,0,0]=3 5721 B12R1.1 OCCOCc1ccc(cn1)Cl 34a_100000703999_100000211926 [0,2,0,0,0,0|1,0,0]=3 5722 B12R1.1 OCCOCc1ccc(cn1)F 34a_100011999454_100000211926 [0,2,0,0,0,0|1,0,0]=3 5723 B12R1.1 OCCOCc1ccc(nc1)Br 34a_100009816760_100000211926 [0,2,0,0,0,0|1,0,0]=3 5724 B12R1.1 OCCOCc1ccc(nc1)Br 7a_100009816760_100000211926 [0,2,0,0,0,0|1,0,0]=3 5725 B12R1.1 OCCOCc1ccc(nc1)Cl 34a_100000755211_100000211926 [0,2,0,0,0,0|1,0,0]=3 5726 B12R1.1 OCCOCc1ccc(nc1)Cl 7a_100000755211_100000211926 [0,2,0,0,0,0|1,0,0]=3 5727 B12R1.1 OCCOCc1ccc(nc1)F 34a_100000079959_100000211926 [0,2,0,0,0,0|1,0,0]=3 5728 B12R1.1 OCCOCc1cnc(cn1)Cl 34a_100012002382_100000211926 [0,2,0,0,0,0|2,0,0]=4 5729 B12R1.1 OCCOCc1cnc(nc1)Cl 34a_100009855073_100000211926 [0,2,0,0,0,0|2,0,0]=4 5730 B12R1.1 OCCOCc1cnc(nc1)Cl 7a_100009855073_100000211926 [0,2,0,0,0,0|2,0,0]=4 5731 B12R1.1 OCCSCc1ccc(cc1)Br 62a_100000189115_100000211926 [0,2,0,0,0,0|0,1,0]=3 5732 B12R1.1 OCCSCc1ccc(cc1)Br 62a_100000211926_100000189115 [0,2,0,0,0,0|0,1,0]=3 5733 B12R1.1 OCCSCc1ccc(cc1)Cl 62a_100000187161_100000211926 [0,2,0,0,0,0|0,1,0]=3 5734 B12R1.1 OCCSCc1ccc(cc1)Cl 62a_100000211926_100000187161 [0,2,0,0,0,0|0,1,0]=3 5735 B12R1.1 OCCSCc1ccc(cc1)F 62a_100000198546_100000211926 [0,2,0,0,0,0|0,1,0]=3 5736 B12R1.1 OCCSCc1ccc(cc1)F 62a_100000211926_100000187164 [0,2,0,0,0,0|0,1,0]=3 5737 B12R1.1 OCCSCc1ccc(cc1)I 62a_100000189116_100000211926 [0,2,0,0,0,0|0,1,0]=3 5738 B12R1.1 OCCSCc1ccc(cc1)I 62a_100000211926_100000189116 [0,2,0,0,0,0|0,1,0]=3 5739 B12R1.1 OCCSCc1ccc(cn1)Br 62a_100000211926_100000702658 [0,2,0,0,0,0|1,1,0]=4 5740 B12R1.1 OCCSCc1ccc(cn1)Br 62a_100000702658_100000211926 [0,2,0,0,0,0|1,1,0]=4 5741 B12R1.1 OCCSCc1ccc(cn1)Cl 62a_100000211926_100000697101 [0,2,0,0,0,0|1,1,0]=4 5742 B12R1.1 OCCSCc1ccc(cn1)Cl 62a_100012066911_100000211926 [0,2,0,0,0,0|1,1,0]=4 5743 B12R1.1 OCCSCc1ccc(cn1)F 62a_100000211926_100000703193 [0,2,0,0,0,0|1,1,0]=4 5744 B12R1.1 OCCSCc1ccc(cn1)F 62a_100000703193_100000211926 [0,2,0,0,0,0|1,1,0]=4 5745 B12R1.1 OCCSCc1ccc(nc1)Br 62a_100000211926_100009831999 [0,2,0,0,0,0|1,1,0]=4 5746 B12R1.1 OCCSCc1ccc(nc1)Br 62a_100009831999_100000211926 [0,2,0,0,0,0|1,1,0]=4 5747 B12R1.1 OCCSCc1ccc(nc1)Cl 62a_100000211926_100000735431 [0,2,0,0,0,0|1,1,0]=4 5748 B12R1.1 OCCSCc1ccc(nc1)Cl 62a_100000735431_100000211926 [0,2,0,0,0,0|1,1,0]=4 5749 B12R1.1 OCCSCc1ccc(nc1)F 62a_100000211926_100000099788 [0,2,0,0,0,0|1,1,0]=4 5750 B12R1.1 OCCSCc1ccc(nc1)F 62a_100009820150_100000211926 [0,2,0,0,0,0|1,1,0]=4 5751 B12R1.1 Oc1ccc(cc1)CCNCF 34a_100000743037_100015361967 [0,2,0,0,0,0|2,0,0]=4 5752 B12R1.1 Oc1ccc(cc1)CCSCF 62a_100009816426_100015361967 [0,2,0,0,0,0|2,0,0]=4 5753 B12R1.1 Oc1ccc(cc1)CCSCF 62a_100015361967_100009816426 [0,2,0,0,0,0|2,0,0]=4 5754 B12R1.1 Oc1ccc(cc1)CNCCF 34a_100000185549_100011217306 [0,2,0,0,0,0|2,0,0]=4 5755 B12R1.1 Oc1ccc(cc1)NCCCF 34a_100000185829_100011934791 [0,2,0,0,0,0|2,0,0]=4 5756 B12R1.1 Oc1ccc(cc1)SCCCF 62a_100011934791_100000185759 [0,2,0,0,0,0|1,1,0]=4 5757 B12R1.1 [13CH3]NCCCc1ccc(cc1)Br 2230a_100011297623_200025704644 [0,2,0,0,0,0|2,0,0]=4 5758 B12R1.1 [13CH3]NCCCc1ccc(cc1)Br 34a_100011297623_200025704644 [0,2,0,0,0,0|2,0,0]=4 5759 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 2230a_100000748451_200025704644 [0,2,0,0,0,0|2,0,0]=4 5760 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 34a_100000748451_200025704644 [0,2,0,0,0,0|2,0,0]=4 5761 B12R1.1 [13CH3]NCCCc1ccc(cc1)F 2230a_100025745824_200025704644 [0,2,0,0,0,0|2,0,0]=4 5762 B12R1.1 [13CH3]NCCCc1ccc(cc1)F 34a_100025745824_200025704644 [0,2,0,0,0,0|2,0,0]=4 5763 B12R1.1 [13CH3]NCCOc1ccc(cc1)Br 2230a_100000746992_200025704644 [0,2,0,0,0,0|1,0,0]=3 5764 B12R1.1 [13CH3]NCCOc1ccc(cc1)Br 34a_100000746992_200025704644 [0,2,0,0,0,0|1,0,0]=3 5765 B12R1.1 [13CH3]NCCOc1ccc(cc1)Cl 2230a_100000697975_200025704644 [0,2,0,0,0,0|1,0,0]=3 5766 B12R1.1 [13CH3]NCCOc1ccc(cc1)Cl 34a_100000697975_200025704644 [0,2,0,0,0,0|1,0,0]=3 5767 B12R1.1 [13CH3]NCCOc1ccc(cc1)F 2230a_100000737420_200025704644 [0,2,0,0,0,0|1,0,0]=3 5768 B12R1.1 [13CH3]NCCOc1ccc(cc1)F 34a_100000737420_200025704644 [0,2,0,0,0,0|1,0,0]=3 5769 B12R1.1 [13CH3]NCCSc1ccc(cc1)Br 2230a_100000184645_200025704644 [0,2,0,0,0,0|1,1,0]=4 5770 B12R1.1 [13CH3]NCCSc1ccc(cc1)Cl 2230a_100000174974_200025704644 [0,2,0,0,0,0|1,1,0]=4 5771 B12R1.1 [13CH3]OCC#Cc1ccc(cc1)Br 34a_100009814260_200025704644 [0,2,0,0,0,0|1,0,1]=4 5772 B12R1.1 [13CH3]OCC#Cc1ccc(cc1)Br 7a_100009814260_200025704644 [0,2,0,0,0,0|1,0,1]=4 5773 B12R1.1 [13CH3]OCC#Cc1ccc(cc1)F 34a_100011219116_200025704644 [0,2,0,0,0,0|1,0,1]=4 5774 B12R1.1 [13CH3]OCC#Cc1ccc(cc1)F 7a_100011219116_200025704644 [0,2,0,0,0,0|1,0,1]=4 5775 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 34a_100011709247_200025704644 [0,2,0,0,0,0|1,0,0]=3 5776 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 7a_100011709247_200025704644 [0,2,0,0,0,0|1,0,0]=3 5777 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 34a_100011217485_200025704644 [0,2,0,0,0,0|1,0,0]=3 5778 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 7a_100011217485_200025704644 [0,2,0,0,0,0|1,0,0]=3 5779 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 34a_100000757351_200025704644 [0,2,0,0,0,0|1,0,0]=3 5780 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 7a_100000757351_200025704644 [0,2,0,0,0,0|1,0,0]=3 5781 B12R1.1 [13CH3]OCCOc1ccc(cc1)Br 34a_100000686261_200025704644 [0,2,0,0,0,0|0,0,0]=2 5782 B12R1.1 [13CH3]OCCOc1ccc(cc1)Br 7a_100000686261_200025704644 [0,2,0,0,0,0|0,0,0]=2 5783 B12R1.1 [13CH3]OCCOc1ccc(cc1)Cl 34a_100000237962_200025704644 [0,2,0,0,0,0|0,0,0]=2 5784 B12R1.1 [13CH3]OCCOc1ccc(cc1)Cl 7a_100000237962_200025704644 [0,2,0,0,0,0|0,0,0]=2 5785 B12R1.1 [13CH3]OCCOc1ccc(cc1)N 34a_100000754363_200025704644 [0,2,0,0,0,0|0,0,0]=2 5786 B12R1.1 [13CH3]OCCOc1ccc(cn1)N 34a_100102662783_200025704644 [0,2,0,0,0,0|1,0,0]=3 5787 B12R1.1 [13CH3]OCCOc1ccc(nc1)Br 34a_200013150534_200025704644 [0,2,0,0,0,0|1,0,0]=3 5788 B12R1.1 [13CH3]OCCOc1ccc(nc1)Br 7a_200013150534_200025704644 [0,2,0,0,0,0|1,0,0]=3 5789 B12R1.1 [13CH3]OCCSc1ccc(cc1)Cl 34a_100000230527_200025704644 [0,2,0,0,0,0|0,1,0]=3 5790 B12R1.1 [13CH3]OCCSc1ccc(cc1)Cl 7a_100000230527_200025704644 [0,2,0,0,0,0|0,1,0]=3 5791 B12R1.1 [13CH3]OCCSc1ccc(cc1)F 34a_200000230679_200025704644 [0,2,0,0,0,0|0,1,0]=3 5792 B12R1.1 [13CH3]OCCSc1ccc(cc1)F 7a_200000230679_200025704644 [0,2,0,0,0,0|0,1,0]=3 5793 B12R1.1 [13CH3]SCCCc1ccc(cc1)Br 62a_100011713682_200025704644 [0,2,0,0,0,0|1,1,0]=4 5794 B12R1.1 [13CH3]SCCCc1ccc(cc1)Br 62a_200025704644_100011713682 [0,2,0,0,0,0|1,1,0]=4 5795 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_100000759440_200025704644 [0,2,0,0,0,0|1,1,0]=4 5796 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_200025704644_100000759440 [0,2,0,0,0,0|1,1,0]=4 5797 B12R1.1 [13CH3]SCCCc1ccc(cc1)F 62a_200011713563_200025704644 [0,2,0,0,0,0|1,1,0]=4 5798 B12R1.1 [13CH3]SCCCc1ccc(cc1)F 62a_200025704644_200011713563 [0,2,0,0,0,0|1,1,0]=4 5799 B12R1.1 [13CH3]SCCOc1ccc(cc1)Br 62a_100000183278_200025704644 [0,2,0,0,0,0|0,1,0]=3 5800 B12R1.1 [13CH3]SCCOc1ccc(cc1)Br 62a_200025704644_100000183278 [0,2,0,0,0,0|0,1,0]=3 5801 B12R1.1 [13CH3]SCCOc1ccc(cc1)Cl 62a_100000184122_200025704644 [0,2,0,0,0,0|0,1,0]=3 5802 B12R1.1 [13CH3]SCCOc1ccc(cc1)Cl 62a_200025704644_100000184122 [0,2,0,0,0,0|0,1,0]=3 5803 B12R1.1 [13CH3]SCCOc1ccc(cc1)F 62a_100000184936_200025704644 [0,2,0,0,0,0|0,1,0]=3 5804 B12R1.1 [13CH3]SCCOc1ccc(cc1)F 62a_200025704644_100000184936 [0,2,0,0,0,0|0,1,0]=3 5805 B12R1.1 [O-][n+]1ccc(cc1)COCCF 34a_100000031831_100011217306 [0,2,0,0,0,0|2,0,0]=4 5806 B12R1.1 [O-][n+]1ccc(cc1)COCCF 7a_100000031831_100011217306 [0,2,0,0,0,0|2,0,0]=4 5807 B12R1.1 [O-][n+]1ccc(cc1)COCCO 34a_100000031831_100000211926 [0,2,0,0,0,0|1,0,0]=3 5808 B12R1.1 [O-][n+]1ccc(cc1)COCCO 7a_100000031831_100000211926 [0,2,0,0,0,0|1,0,0]=3 5809 B12R1.1 [O-][n+]1ccc(cc1)SCCCO 62a_100011215043_100000039755 [0,2,0,0,0,0|1,1,0]=4 5810 B12R1.16 CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210303 [0,2,0,0,0,0|2,0,0]=4 5811 B12R1.16 CCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210303 [0,2,0,0,0,0|2,0,0]=4 5812 B12R1.16 CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210303 [0,2,0,0,0,0|2,0,0]=4 5813 B12R1.16 CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210303 [0,2,0,0,0,0|2,0,0]=4 5814 B12R1.16 CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210303 [0,2,0,0,0,0|2,0,0]=4 5815 B12R1.16 CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210303 [0,2,0,0,0,0|2,0,0]=4 5816 B12R1.16 CCCC(=O)c1ccc(cc1)O 271570a_203496583355_100011267722 [0,2,0,0,0,0|2,0,0]=4 5817 B12R1.16 CCCC(O)c1ccc(cc1)O 271570a_203496583355_100011350873 [0,2,0,0,0,0|2,0,0]=4 5818 B12R1.16 CCCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210303 [0,2,0,0,0,0|2,0,0]=4 5819 B12R1.16 CCCN(C)c1ccc(cc1)Br 269982a_100000219623_100000210303 [0,2,0,0,0,0|2,0,0]=4 5820 B12R1.16 CCCN(C)c1ccc(cc1)Br 34a_100000219623_100000210303 [0,2,0,0,0,0|2,0,0]=4 5821 B12R1.16 CCCN(C)c1ccc(cc1)C 2230a_100000219977_100000210303 [0,2,0,0,0,0|2,0,0]=4 5822 B12R1.16 CCCN(C)c1ccc(cc1)C 269982a_100000219977_100000210303 [0,2,0,0,0,0|2,0,0]=4 5823 B12R1.16 CCCN(C)c1ccc(cc1)C 34a_100000219977_100000210303 [0,2,0,0,0,0|2,0,0]=4 5824 B12R1.16 CCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210303 [0,2,0,0,0,0|2,0,0]=4 5825 B12R1.16 CCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210303 [0,2,0,0,0,0|2,0,0]=4 5826 B12R1.16 CCCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210303 [0,2,0,0,0,0|2,0,0]=4 5827 B12R1.16 CCCN(C)c1ccc(cc1)F 2230a_100000219829_100000210303 [0,2,0,0,0,0|2,0,0]=4 5828 B12R1.16 CCCN(C)c1ccc(cc1)F 269982a_100000219829_100000210303 [0,2,0,0,0,0|2,0,0]=4 5829 B12R1.16 CCCN(C)c1ccc(cc1)F 34a_100000219829_100000210303 [0,2,0,0,0,0|2,0,0]=4 5830 B12R1.16 CCCN(C)c1ccc(cc1)I 2230a_100000743151_100000210303 [0,2,0,0,0,0|2,0,0]=4 5831 B12R1.16 CCCN(C)c1ccc(cc1)I 269982a_100000743151_100000210303 [0,2,0,0,0,0|2,0,0]=4 5832 B12R1.16 CCCN(C)c1ccc(cc1)I 34a_100000743151_100000210303 [0,2,0,0,0,0|2,0,0]=4 5833 B12R1.16 CCCN(C)c1ccc(cc1)O 269982a_100000182112_100000210303 [0,2,0,0,0,0|2,0,0]=4 5834 B12R1.16 CCCN(C)c1ccc(cc1)O 34a_100000182112_100000210303 [0,2,0,0,0,0|2,0,0]=4 5835 B12R1.16 CN(CCF)c1ccc(cc1)Br 2230a_100000219623_100011217306 [0,2,0,0,0,0|2,0,0]=4 5836 B12R1.16 CN(CCF)c1ccc(cc1)Br 269982a_100000219623_100011217306 [0,2,0,0,0,0|2,0,0]=4 5837 B12R1.16 CN(CCF)c1ccc(cc1)Br 34a_100000219623_100011217306 [0,2,0,0,0,0|2,0,0]=4 5838 B12R1.16 CN(CCF)c1ccc(cc1)Cl 2230a_100020629279_100011217306 [0,2,0,0,0,0|2,0,0]=4 5839 B12R1.16 CN(CCF)c1ccc(cc1)Cl 269982a_100020629279_100011217306 [0,2,0,0,0,0|2,0,0]=4 5840 B12R1.16 CN(CCF)c1ccc(cc1)Cl 34a_100020629279_100011217306 [0,2,0,0,0,0|2,0,0]=4 5841 B12R1.16 CN(CCF)c1ccc(cc1)F 2230a_100000219829_100011217306 [0,2,0,0,0,0|2,0,0]=4 5842 B12R1.16 CN(CCF)c1ccc(cc1)F 269982a_100000219829_100011217306 [0,2,0,0,0,0|2,0,0]=4 5843 B12R1.16 CN(CCF)c1ccc(cc1)F 34a_100000219829_100011217306 [0,2,0,0,0,0|2,0,0]=4 5844 B12R1.16 CN(CCF)c1ccc(cc1)I 2230a_100000743151_100011217306 [0,2,0,0,0,0|2,0,0]=4 5845 B12R1.16 CN(CCF)c1ccc(cc1)I 269982a_100000743151_100011217306 [0,2,0,0,0,0|2,0,0]=4 5846 B12R1.16 CN(CCF)c1ccc(cc1)I 34a_100000743151_100011217306 [0,2,0,0,0,0|2,0,0]=4 5847 B12R1.16 CN(CCF)c1ccc(cc1)O 269982a_100000182112_100011217306 [0,2,0,0,0,0|2,0,0]=4 5848 B12R1.16 CN(CCF)c1ccc(cc1)O 34a_100000182112_100011217306 [0,2,0,0,0,0|2,0,0]=4 5849 B12R1.16 CN(CCO)c1ccc(cc1)Br 2230a_100000219623_100000211926 [0,2,0,0,0,0|1,0,0]=3 5850 B12R1.16 CN(CCO)c1ccc(cc1)Br 269982a_100000219623_100000211926 [0,2,0,0,0,0|1,0,0]=3 5851 B12R1.16 CN(CCO)c1ccc(cc1)Br 34a_100000219623_100000211926 [0,2,0,0,0,0|1,0,0]=3 5852 B12R1.16 CN(CCO)c1ccc(cc1)Cl 2230a_100020629279_100000211926 [0,2,0,0,0,0|1,0,0]=3 5853 B12R1.16 CN(CCO)c1ccc(cc1)Cl 269982a_100020629279_100000211926 [0,2,0,0,0,0|1,0,0]=3 5854 B12R1.16 CN(CCO)c1ccc(cc1)Cl 34a_100020629279_100000211926 [0,2,0,0,0,0|1,0,0]=3 5855 B12R1.16 CN(CCO)c1ccc(cc1)F 2230a_100000219829_100000211926 [0,2,0,0,0,0|1,0,0]=3 5856 B12R1.16 CN(CCO)c1ccc(cc1)F 269982a_100000219829_100000211926 [0,2,0,0,0,0|1,0,0]=3 5857 B12R1.16 CN(CCO)c1ccc(cc1)F 34a_100000219829_100000211926 [0,2,0,0,0,0|1,0,0]=3 5858 B12R1.16 CN(CCO)c1ccc(cc1)I 2230a_100000743151_100000211926 [0,2,0,0,0,0|1,0,0]=3 5859 B12R1.16 CN(CCO)c1ccc(cc1)I 269982a_100000743151_100000211926 [0,2,0,0,0,0|1,0,0]=3 5860 B12R1.16 CN(CCO)c1ccc(cc1)I 34a_100000743151_100000211926 [0,2,0,0,0,0|1,0,0]=3 5861 B12R1.16 CN(CCO)c1ccc(cc1)O 269982a_100000182112_100000211926 [0,2,0,0,0,0|1,0,0]=3 5862 B12R1.16 CN(CCO)c1ccc(cc1)O 34a_100000182112_100000211926 [0,2,0,0,0,0|1,0,0]=3 5863 B12R1.16 CN(CCO)c1ccc(cn1)Br 27a_100000210263_100000686858 [0,2,0,0,0,0|2,0,0]=4 5864 B12R1.16 Cc1ccc(cc1)C(=O)CCF 1458a_100000188618_100011217306 [0,2,0,0,0,0|2,0,0]=4 5865 B12R1.16 Cc1ccc(cc1)C(=O)CCO 1458a_100000188618_100000211926 [0,2,0,0,0,0|1,0,0]=3 5866 B12R1.16 Cc1ccc(cc1)N(C)CCF 2230a_100000219977_100011217306 [0,2,0,0,0,0|2,0,0]=4 5867 B12R1.16 Cc1ccc(cc1)N(C)CCF 269982a_100000219977_100011217306 [0,2,0,0,0,0|2,0,0]=4 5868 B12R1.16 Cc1ccc(cc1)N(C)CCF 34a_100000219977_100011217306 [0,2,0,0,0,0|2,0,0]=4 5869 B12R1.16 Cc1ccc(cc1)N(C)CCO 2230a_100000219977_100000211926 [0,2,0,0,0,0|1,0,0]=3 5870 B12R1.16 Cc1ccc(cc1)N(C)CCO 269982a_100000219977_100000211926 [0,2,0,0,0,0|1,0,0]=3 5871 B12R1.16 Cc1ccc(cc1)N(C)CCO 34a_100000219977_100000211926 [0,2,0,0,0,0|1,0,0]=3 5872 B12R1.16 N[C@@H](CCO)c1ccc(cc1)O 271570a_203496583355_102125605589 [0,2,0,0,0,0|1,0,0]=3 5873 B12R1.16 O=C(CCF)c1ccc(cc1)Br 1458a_100000185839_100011217306 [0,2,0,0,0,0|2,0,0]=4 5874 B12R1.16 O=C(CCF)c1ccc(cc1)Cl 1458a_100000210187_100011217306 [0,2,0,0,0,0|2,0,0]=4 5875 B12R1.16 O=C(CCF)c1ccc(cc1)F 1458a_100000187176_100011217306 [0,2,0,0,0,0|2,0,0]=4 5876 B12R1.16 O=C(CCF)c1ccc(cc1)I 1458a_100000187904_100011217306 [0,2,0,0,0,0|2,0,0]=4 5877 B12R1.16 O=C(CCF)c1ccc(cc1)O 1458a_100000212099_100011217306 [0,2,0,0,0,0|2,0,0]=4 5878 B12R1.16 O=C(CCO)c1ccc(cc1)Br 1458a_100000185839_100000211926 [0,2,0,0,0,0|1,0,0]=3 5879 B12R1.16 O=C(CCO)c1ccc(cc1)Cl 1458a_100000210187_100000211926 [0,2,0,0,0,0|1,0,0]=3 5880 B12R1.16 O=C(CCO)c1ccc(cc1)F 1458a_100000187176_100000211926 [0,2,0,0,0,0|1,0,0]=3 5881 B12R1.16 O=C(CCO)c1ccc(cc1)I 1458a_100000187904_100000211926 [0,2,0,0,0,0|1,0,0]=3 5882 B12R1.16 O=C(CCO)c1ccc(cc1)O 1458a_100000212099_100000211926 [0,2,0,0,0,0|1,0,0]=3 5883 B12R1.21 C=C(C)COc1ccc(cc1)Br 34a_100000185759_100000748629 [0,2,0,0,0,0|1,0,1]=4 5884 B12R1.21 C=C(C)COc1ccc(cc1)Br 7a_100000185759_100000748629 [0,2,0,0,0,0|1,0,1]=4 5885 B12R1.21 C=C(C)COc1ccc(cc1)C 34a_100000210336_100000748629 [0,2,0,0,0,0|1,0,1]=4 5886 B12R1.21 C=C(C)COc1ccc(cc1)C 7a_100000210336_100000748629 [0,2,0,0,0,0|1,0,1]=4 5887 B12R1.21 C=C(C)COc1ccc(cc1)Cl 34a_100000210216_100000748629 [0,2,0,0,0,0|1,0,1]=4 5888 B12R1.21 C=C(C)COc1ccc(cc1)Cl 7a_100000210216_100000748629 [0,2,0,0,0,0|1,0,1]=4 5889 B12R1.21 C=C(C)COc1ccc(cc1)F 34a_100000210339_100000748629 [0,2,0,0,0,0|1,0,1]=4 5890 B12R1.21 C=C(C)COc1ccc(cc1)I 34a_100000212066_100000748629 [0,2,0,0,0,0|1,0,1]=4 5891 B12R1.21 C=C(C)COc1ccc(cc1)I 7a_100000212066_100000748629 [0,2,0,0,0,0|1,0,1]=4 5892 B12R1.21 C=C(C)COc1ccc(cc1)N 34a_100000185829_100000748629 [0,2,0,0,0,0|1,0,1]=4 5893 B12R1.21 C=C(F)COc1ccc(cc1)Br 34a_100000185759_100009893438 [0,2,0,0,0,0|1,0,1]=4 5894 B12R1.21 C=C(F)COc1ccc(cc1)Br 7a_100000185759_100000042424 [0,2,0,0,0,0|1,0,1]=4 5895 B12R1.21 C=C(F)COc1ccc(cc1)C 34a_100000210336_100009893438 [0,2,0,0,0,0|1,0,1]=4 5896 B12R1.21 C=C(F)COc1ccc(cc1)C 7a_100000210336_100000042424 [0,2,0,0,0,0|1,0,1]=4 5897 B12R1.21 C=C(F)COc1ccc(cc1)Cl 34a_100000210216_100009893438 [0,2,0,0,0,0|1,0,1]=4 5898 B12R1.21 C=C(F)COc1ccc(cc1)Cl 7a_100000210216_100000042424 [0,2,0,0,0,0|1,0,1]=4 5899 B12R1.21 C=C(F)COc1ccc(cc1)F 34a_100000210339_100009893438 [0,2,0,0,0,0|1,0,1]=4 5900 B12R1.21 C=C(F)COc1ccc(cc1)I 34a_100000212066_100009893438 [0,2,0,0,0,0|1,0,1]=4 5901 B12R1.21 C=C(F)COc1ccc(cc1)I 7a_100000212066_100000042424 [0,2,0,0,0,0|1,0,1]=4 5902 B12R1.21 C=C(F)COc1ccc(cc1)N 34a_100000185829_100009893438 [0,2,0,0,0,0|1,0,1]=4 5903 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [0,2,0,0,0,0|0,0,2]=4 5904 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [0,2,0,0,0,0|0,0,2]=4 5905 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [0,2,0,0,0,0|0,0,2]=4 5906 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [0,2,0,0,0,0|0,0,2]=4 5907 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [0,2,0,0,0,0|0,0,2]=4 5908 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [0,2,0,0,0,0|0,0,2]=4 5909 B12R1.21 CC(C)CNc1ccc(cc1)Br 2230a_100000210018_100000210760 [0,2,0,0,0,0|2,0,0]=4 5910 B12R1.21 CC(C)CNc1ccc(cc1)Br 34a_100000210018_100000210624 [0,2,0,0,0,0|2,0,0]=4 5911 B12R1.21 CC(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000210760 [0,2,0,0,0,0|2,0,0]=4 5912 B12R1.21 CC(C)CNc1ccc(cc1)Cl 34a_100000210052_100000210624 [0,2,0,0,0,0|2,0,0]=4 5913 B12R1.21 CC(C)CNc1ccc(cc1)F 34a_100000185862_100000210624 [0,2,0,0,0,0|2,0,0]=4 5914 B12R1.21 CC(C)CNc1ccc(cc1)I 34a_100000185761_100000210624 [0,2,0,0,0,0|2,0,0]=4 5915 B12R1.21 CC(C)CNc1ccc(cc1)O 271570a_203496583355_200011231703 [0,2,0,0,0,0|2,0,0]=4 5916 B12R1.21 CC(C)CNc1ccc(cc1)O 34a_100000185829_100000210624 [0,2,0,0,0,0|2,0,0]=4 5917 B12R1.21 CC(C)COc1ccc(=O)[nH]c1 34a_100000075641_100000210624 [0,2,0,0,0,0|2,0,0]=4 5918 B12R1.21 CC(C)COc1ccc(cc1)Br 34a_100000185759_100000210624 [0,2,0,0,0,0|1,0,0]=3 5919 B12R1.21 CC(C)COc1ccc(cc1)Br 7a_100000185759_100000210760 [0,2,0,0,0,0|1,0,0]=3 5920 B12R1.21 CC(C)COc1ccc(cc1)Cl 34a_100000210216_100000210624 [0,2,0,0,0,0|1,0,0]=3 5921 B12R1.21 CC(C)COc1ccc(cc1)Cl 7a_100000210216_100000210760 [0,2,0,0,0,0|1,0,0]=3 5922 B12R1.21 CC(C)COc1ccc(cc1)F 34a_100000210339_100000210624 [0,2,0,0,0,0|1,0,0]=3 5923 B12R1.21 CC(C)COc1ccc(cc1)I 34a_100000212066_100000210624 [0,2,0,0,0,0|1,0,0]=3 5924 B12R1.21 CC(C)COc1ccc(cc1)I 7a_100000212066_100000210760 [0,2,0,0,0,0|1,0,0]=3 5925 B12R1.21 CC(C)COc1ccc(cc1)N 34a_100000185829_100000210624 [0,2,0,0,0,0|1,0,0]=3 5926 B12R1.21 CC(C)COc1ccc(cc1)O 271570a_203496583355_200000169949 [0,2,0,0,0,0|1,0,0]=3 5927 B12R1.21 CC(C)COc1ccc(cn1)Cl 34a_100011215309_100000210624 [0,2,0,0,0,0|2,0,0]=4 5928 B12R1.21 CC(C)COc1ccc(cn1)F 34a_100000742473_100000210624 [0,2,0,0,0,0|2,0,0]=4 5929 B12R1.21 CC(C)COc1ccc(cn1)N 34a_100000729260_100000210624 [0,2,0,0,0,0|2,0,0]=4 5930 B12R1.21 CC(C)COc1ccc(nc1)Br 34a_100000685995_100000210624 [0,2,0,0,0,0|2,0,0]=4 5931 B12R1.21 CC(C)COc1ccc(nc1)Br 7a_100000685995_100000210760 [0,2,0,0,0,0|2,0,0]=4 5932 B12R1.21 CC(C)COc1ccc(nc1)Cl 34a_100000744096_100000210624 [0,2,0,0,0,0|2,0,0]=4 5933 B12R1.21 CC(C)COc1ccc(nc1)Cl 7a_100000744096_100000210760 [0,2,0,0,0,0|2,0,0]=4 5934 B12R1.21 CC(C)COc1ccc(nc1)F 34a_100000688820_100000210624 [0,2,0,0,0,0|2,0,0]=4 5935 B12R1.21 CC(C)COc1ccc(nc1)F 7a_100000688820_100000210760 [0,2,0,0,0,0|2,0,0]=4 5936 B12R1.21 CC(C)COc1ccc(nc1)I 34a_100000687607_100000210624 [0,2,0,0,0,0|2,0,0]=4 5937 B12R1.21 CC(C)COc1ccc(nc1)I 7a_100000687607_100000210760 [0,2,0,0,0,0|2,0,0]=4 5938 B12R1.21 CC(C)COc1ccc(nc1)N 34a_100015188713_100000210624 [0,2,0,0,0,0|2,0,0]=4 5939 B12R1.21 CC(C)COc1ccc(nc1)N 7a_100015188713_100000210760 [0,2,0,0,0,0|2,0,0]=4 5940 B12R1.21 CC(C)CSc1ccc(cc1)Br 62a_100000210624_100000752885 [0,2,0,0,0,0|1,1,0]=4 5941 B12R1.21 CC(C)CSc1ccc(cc1)Br 62a_100000752885_100000210760 [0,2,0,0,0,0|1,1,0]=4 5942 B12R1.21 CC(C)CSc1ccc(cc1)Cl 62a_100000210624_100000755918 [0,2,0,0,0,0|1,1,0]=4 5943 B12R1.21 CC(C)CSc1ccc(cc1)Cl 62a_100000755918_100000210760 [0,2,0,0,0,0|1,1,0]=4 5944 B12R1.21 CC(C)CSc1ccc(cc1)F 62a_100000210624_100000211213 [0,2,0,0,0,0|1,1,0]=4 5945 B12R1.21 CC(C)CSc1ccc(cc1)F 62a_100000211213_100000210760 [0,2,0,0,0,0|1,1,0]=4 5946 B12R1.21 CC(C)CSc1ccc(cc1)N 62a_100000185761_100000210760 [0,2,0,0,0,0|1,1,0]=4 5947 B12R1.21 CC(C)CSc1ccc(cc1)N 62a_100000210624_100000185761 [0,2,0,0,0,0|1,1,0]=4 5948 B12R1.21 CC(C)CSc1ccc(cc1)O 62a_100000210624_100000185759 [0,2,0,0,0,0|1,1,0]=4 5949 B12R1.21 CC(O)C=Cc1ccc(cc1)Br 271570a_200011019289_100000752885 [0,2,0,0,0,0|1,0,1]=4 5950 B12R1.21 CC(O)C=Cc1ccc(cc1)Cl 271570a_200011019289_100000755918 [0,2,0,0,0,0|1,0,1]=4 5951 B12R1.21 CC(O)C=Cc1ccc(cc1)F 271570a_200011019289_100000211213 [0,2,0,0,0,0|1,0,1]=4 5952 B12R1.21 CC(O)C=Cc1ccc(cc1)N 271570a_200011019289_100000185761 [0,2,0,0,0,0|1,0,1]=4 5953 B12R1.21 CC(O)C=Cc1ccc(cc1)O 271570a_200011019289_100000185759 [0,2,0,0,0,0|1,0,1]=4 5954 B12R1.21 CC(O)CNc1ccc(cc1)Br 2230a_100000210018_100011218427 [0,2,0,0,0,0|1,0,0]=3 5955 B12R1.21 CC(O)CNc1ccc(cc1)Br 34a_100000210018_100011218427 [0,2,0,0,0,0|1,0,0]=3 5956 B12R1.21 CC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100011218427 [0,2,0,0,0,0|1,0,0]=3 5957 B12R1.21 CC(O)CNc1ccc(cc1)Cl 34a_100000210052_100011218427 [0,2,0,0,0,0|1,0,0]=3 5958 B12R1.21 CC(O)CNc1ccc(cc1)F 34a_100000185862_100011218427 [0,2,0,0,0,0|1,0,0]=3 5959 B12R1.21 CC(O)CNc1ccc(cc1)I 34a_100000185761_100011218427 [0,2,0,0,0,0|1,0,0]=3 5960 B12R1.21 CC(O)CNc1ccc(cc1)O 34a_100000185829_100011218427 [0,2,0,0,0,0|1,0,0]=3 5961 B12R1.21 CC(O)CNc1ccc(cn1)Br 27a_100000210904_100000686858 [0,2,0,0,0,0|2,0,0]=4 5962 B12R1.21 CC(O)COc1ccc(=O)[nH]c1 34a_100000075641_100011218427 [0,2,0,0,0,0|1,0,0]=3 5963 B12R1.21 CC(O)COc1ccc(cc1)Br 34a_100000185759_100011218427 [0,2,0,0,0,0|0,0,0]=2 5964 B12R1.21 CC(O)COc1ccc(cc1)Br 7a_100000185759_100011218427 [0,2,0,0,0,0|0,0,0]=2 5965 B12R1.21 CC(O)COc1ccc(cc1)Cl 34a_100000210216_100011218427 [0,2,0,0,0,0|0,0,0]=2 5966 B12R1.21 CC(O)COc1ccc(cc1)Cl 7a_100000210216_100011218427 [0,2,0,0,0,0|0,0,0]=2 5967 B12R1.21 CC(O)COc1ccc(cc1)F 34a_100000210339_100011218427 [0,2,0,0,0,0|0,0,0]=2 5968 B12R1.21 CC(O)COc1ccc(cc1)I 34a_100000212066_100011218427 [0,2,0,0,0,0|0,0,0]=2 5969 B12R1.21 CC(O)COc1ccc(cc1)I 7a_100000212066_100011218427 [0,2,0,0,0,0|0,0,0]=2 5970 B12R1.21 CC(O)COc1ccc(cc1)N 34a_100000185829_100011218427 [0,2,0,0,0,0|0,0,0]=2 5971 B12R1.21 CC(O)COc1ccc(cn1)Cl 34a_100011215309_100011218427 [0,2,0,0,0,0|1,0,0]=3 5972 B12R1.21 CC(O)COc1ccc(cn1)F 34a_100000742473_100011218427 [0,2,0,0,0,0|1,0,0]=3 5973 B12R1.21 CC(O)COc1ccc(cn1)N 34a_100000729260_100011218427 [0,2,0,0,0,0|1,0,0]=3 5974 B12R1.21 CC(O)COc1ccc(nc1)Br 34a_100000685995_100011218427 [0,2,0,0,0,0|1,0,0]=3 5975 B12R1.21 CC(O)COc1ccc(nc1)Br 7a_100000685995_100011218427 [0,2,0,0,0,0|1,0,0]=3 5976 B12R1.21 CC(O)COc1ccc(nc1)Cl 34a_100000744096_100011218427 [0,2,0,0,0,0|1,0,0]=3 5977 B12R1.21 CC(O)COc1ccc(nc1)Cl 7a_100000744096_100011218427 [0,2,0,0,0,0|1,0,0]=3 5978 B12R1.21 CC(O)COc1ccc(nc1)F 34a_100000688820_100011218427 [0,2,0,0,0,0|1,0,0]=3 5979 B12R1.21 CC(O)COc1ccc(nc1)F 7a_100000688820_100011218427 [0,2,0,0,0,0|1,0,0]=3 5980 B12R1.21 CC(O)COc1ccc(nc1)I 34a_100000687607_100011218427 [0,2,0,0,0,0|1,0,0]=3 5981 B12R1.21 CC(O)COc1ccc(nc1)I 7a_100000687607_100011218427 [0,2,0,0,0,0|1,0,0]=3 5982 B12R1.21 CC(O)COc1ccc(nc1)N 34a_100015188713_100011218427 [0,2,0,0,0,0|1,0,0]=3 5983 B12R1.21 CC(O)COc1ccc(nc1)N 7a_100015188713_100011218427 [0,2,0,0,0,0|1,0,0]=3 5984 B12R1.21 CC(O)COc1cnc(cn1)Br 34a_100011934580_100011218427 [0,2,0,0,0,0|2,0,0]=4 5985 B12R1.21 CC(O)COc1cnc(cn1)Cl 34a_100015839800_100011218427 [0,2,0,0,0,0|2,0,0]=4 5986 B12R1.21 CC(O)COc1cnc(nc1)Br 34a_100000730009_100011218427 [0,2,0,0,0,0|2,0,0]=4 5987 B12R1.21 CC(O)COc1cnc(nc1)Br 7a_100000730009_100011218427 [0,2,0,0,0,0|2,0,0]=4 5988 B12R1.21 CC(O)COc1cnc(nc1)Cl 34a_100000092845_100011218427 [0,2,0,0,0,0|2,0,0]=4 5989 B12R1.21 CC(O)COc1cnc(nc1)Cl 7a_100000092845_100011218427 [0,2,0,0,0,0|2,0,0]=4 5990 B12R1.21 CC(O)COc1cnc(nc1)F 34a_200009874573_100011218427 [0,2,0,0,0,0|2,0,0]=4 5991 B12R1.21 CC(O)COc1cnc(nc1)F 7a_200009874573_100011218427 [0,2,0,0,0,0|2,0,0]=4 5992 B12R1.21 CC(O)COc1cnc(nc1)N 34a_100000087137_100011218427 [0,2,0,0,0,0|2,0,0]=4 5993 B12R1.21 CC(O)COc1cnc(nc1)N 7a_100000087137_100011218427 [0,2,0,0,0,0|2,0,0]=4 5994 B12R1.21 CC(O)COc1ncc(cn1)F 34a_100011934040_100011218427 [0,2,0,0,0,0|2,0,0]=4 5995 B12R1.21 CC(O)CSc1cc[n+](cc1)[O-] 62a_100011218427_100000039755 [0,2,0,0,0,0|1,1,0]=4 5996 B12R1.21 CC(O)CSc1ccc(=O)[nH]c1 62a_100000212171_100011218427 [0,2,0,0,0,0|1,1,0]=4 5997 B12R1.21 CC(O)CSc1ccc(=O)[nH]c1 62a_100011218427_100000212171 [0,2,0,0,0,0|1,1,0]=4 5998 B12R1.21 CC(O)CSc1ccc(cc1)Br 62a_100000752885_100011218427 [0,2,0,0,0,0|0,1,0]=3 5999 B12R1.21 CC(O)CSc1ccc(cc1)Br 62a_100011218427_100000752885 [0,2,0,0,0,0|0,1,0]=3 6000 B12R1.21 CC(O)CSc1ccc(cc1)Cl 62a_100000755918_100011218427 [0,2,0,0,0,0|0,1,0]=3 6001 B12R1.21 CC(O)CSc1ccc(cc1)Cl 62a_100011218427_100000755918 [0,2,0,0,0,0|0,1,0]=3 6002 B12R1.21 CC(O)CSc1ccc(cc1)F 62a_100000211213_100011218427 [0,2,0,0,0,0|0,1,0]=3 6003 B12R1.21 CC(O)CSc1ccc(cc1)F 62a_100011218427_100000211213 [0,2,0,0,0,0|0,1,0]=3 6004 B12R1.21 CC(O)CSc1ccc(cc1)N 62a_100000185761_100011218427 [0,2,0,0,0,0|0,1,0]=3 6005 B12R1.21 CC(O)CSc1ccc(cc1)N 62a_100011218427_100000185761 [0,2,0,0,0,0|0,1,0]=3 6006 B12R1.21 CC(O)CSc1ccc(cc1)O 62a_100011218427_100000185759 [0,2,0,0,0,0|0,1,0]=3 6007 B12R1.21 CC(O)CSc1ccc(cn1)Br 62a_100000686858_100011218427 [0,2,0,0,0,0|1,1,0]=4 6008 B12R1.21 CC(O)CSc1ccc(cn1)Br 62a_100011218427_100000686858 [0,2,0,0,0,0|1,1,0]=4 6009 B12R1.21 CC(O)CSc1ccc(cn1)Cl 62a_100011218427_100011356976 [0,2,0,0,0,0|1,1,0]=4 6010 B12R1.21 CC(O)CSc1ccc(cn1)Cl 62a_100011356976_100011218427 [0,2,0,0,0,0|1,1,0]=4 6011 B12R1.21 CC(O)CSc1ccc(cn1)F 62a_100000744514_100011218427 [0,2,0,0,0,0|1,1,0]=4 6012 B12R1.21 CC(O)CSc1ccc(cn1)F 62a_100011218427_100000744514 [0,2,0,0,0,0|1,1,0]=4 6013 B12R1.21 CC(O)CSc1ccc(cn1)N 62a_100000737798_100011218427 [0,2,0,0,0,0|1,1,0]=4 6014 B12R1.21 CC(O)CSc1ccc(cn1)N 62a_100011218427_100000737798 [0,2,0,0,0,0|1,1,0]=4 6015 B12R1.21 CC(O)CSc1ccc(cn1)O 62a_100000685995_100011218427 [0,2,0,0,0,0|1,1,0]=4 6016 B12R1.21 CC(O)CSc1ccc(cn1)O 62a_100011218427_100000744096 [0,2,0,0,0,0|1,1,0]=4 6017 B12R1.21 CC(O)CSc1ccc(nc1)Br 62a_100009814638_100011218427 [0,2,0,0,0,0|1,1,0]=4 6018 B12R1.21 CC(O)CSc1ccc(nc1)Br 62a_100011218427_100009814638 [0,2,0,0,0,0|1,1,0]=4 6019 B12R1.21 CC(O)CSc1ccc(nc1)Cl 62a_100000034144_100011218427 [0,2,0,0,0,0|1,1,0]=4 6020 B12R1.21 CC(O)CSc1ccc(nc1)Cl 62a_100011218427_100000034144 [0,2,0,0,0,0|1,1,0]=4 6021 B12R1.21 CC(O)CSc1ccc(nc1)F 62a_100000042367_100011218427 [0,2,0,0,0,0|1,1,0]=4 6022 B12R1.21 CC(O)CSc1ccc(nc1)F 62a_100011218427_100000042367 [0,2,0,0,0,0|1,1,0]=4 6023 B12R1.21 CC(O)CSc1ccc(nc1)N 62a_100000187370_100011218427 [0,2,0,0,0,0|1,1,0]=4 6024 B12R1.21 CC(O)CSc1ccc(nc1)N 62a_100011218427_100000187370 [0,2,0,0,0,0|1,1,0]=4 6025 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Br 2230a_100000210018_100009817552 [0,2,0,0,0,0|1,0,0]=3 6026 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Br 34a_100000210018_100009817552 [0,2,0,0,0,0|1,0,0]=3 6027 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Cl 2230a_100000210052_100009817552 [0,2,0,0,0,0|1,0,0]=3 6028 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Cl 34a_100000210052_100009817552 [0,2,0,0,0,0|1,0,0]=3 6029 B12R1.21 C[C@@H](O)CNc1ccc(cc1)F 34a_100000185862_100009817552 [0,2,0,0,0,0|1,0,0]=3 6030 B12R1.21 C[C@@H](O)CNc1ccc(cc1)I 34a_100000185761_100009817552 [0,2,0,0,0,0|1,0,0]=3 6031 B12R1.21 C[C@@H](O)CNc1ccc(cc1)O 34a_100000185829_100009817552 [0,2,0,0,0,0|1,0,0]=3 6032 B12R1.21 C[C@@H](O)COc1ccc(=O)[nH]c1 34a_100000075641_100009817552 [0,2,0,0,0,0|1,0,0]=3 6033 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 34a_100000185759_100009817552 [0,2,0,0,0,0|0,0,0]=2 6034 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 7a_100000185759_100009817552 [0,2,0,0,0,0|0,0,0]=2 6035 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 34a_100000210216_100009817552 [0,2,0,0,0,0|0,0,0]=2 6036 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 7a_100000210216_100009817552 [0,2,0,0,0,0|0,0,0]=2 6037 B12R1.21 C[C@@H](O)COc1ccc(cc1)F 34a_100000210339_100009817552 [0,2,0,0,0,0|0,0,0]=2 6038 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 34a_100000212066_100009817552 [0,2,0,0,0,0|0,0,0]=2 6039 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 7a_100000212066_100009817552 [0,2,0,0,0,0|0,0,0]=2 6040 B12R1.21 C[C@@H](O)COc1ccc(cc1)N 34a_100000185829_100009817552 [0,2,0,0,0,0|0,0,0]=2 6041 B12R1.21 C[C@@H](O)COc1ccc(cn1)Cl 34a_100011215309_100009817552 [0,2,0,0,0,0|1,0,0]=3 6042 B12R1.21 C[C@@H](O)COc1ccc(cn1)F 34a_100000742473_100009817552 [0,2,0,0,0,0|1,0,0]=3 6043 B12R1.21 C[C@@H](O)COc1ccc(cn1)N 34a_100000729260_100009817552 [0,2,0,0,0,0|1,0,0]=3 6044 B12R1.21 C[C@@H](O)COc1ccc(nc1)Br 34a_100000685995_100009817552 [0,2,0,0,0,0|1,0,0]=3 6045 B12R1.21 C[C@@H](O)COc1ccc(nc1)Br 7a_100000685995_100009817552 [0,2,0,0,0,0|1,0,0]=3 6046 B12R1.21 C[C@@H](O)COc1ccc(nc1)Cl 34a_100000744096_100009817552 [0,2,0,0,0,0|1,0,0]=3 6047 B12R1.21 C[C@@H](O)COc1ccc(nc1)Cl 7a_100000744096_100009817552 [0,2,0,0,0,0|1,0,0]=3 6048 B12R1.21 C[C@@H](O)COc1ccc(nc1)F 34a_100000688820_100009817552 [0,2,0,0,0,0|1,0,0]=3 6049 B12R1.21 C[C@@H](O)COc1ccc(nc1)F 7a_100000688820_100009817552 [0,2,0,0,0,0|1,0,0]=3 6050 B12R1.21 C[C@@H](O)COc1ccc(nc1)I 34a_100000687607_100009817552 [0,2,0,0,0,0|1,0,0]=3 6051 B12R1.21 C[C@@H](O)COc1ccc(nc1)I 7a_100000687607_100009817552 [0,2,0,0,0,0|1,0,0]=3 6052 B12R1.21 C[C@@H](O)COc1ccc(nc1)N 34a_100015188713_100009817552 [0,2,0,0,0,0|1,0,0]=3 6053 B12R1.21 C[C@@H](O)COc1ccc(nc1)N 7a_100015188713_100009817552 [0,2,0,0,0,0|1,0,0]=3 6054 B12R1.21 C[C@@H](O)COc1cnc(cn1)Br 34a_100011934580_100009817552 [0,2,0,0,0,0|2,0,0]=4 6055 B12R1.21 C[C@@H](O)COc1cnc(cn1)Cl 34a_100015839800_100009817552 [0,2,0,0,0,0|2,0,0]=4 6056 B12R1.21 C[C@@H](O)COc1cnc(nc1)Br 34a_100000730009_100009817552 [0,2,0,0,0,0|2,0,0]=4 6057 B12R1.21 C[C@@H](O)COc1cnc(nc1)Br 7a_100000730009_100009817552 [0,2,0,0,0,0|2,0,0]=4 6058 B12R1.21 C[C@@H](O)COc1cnc(nc1)Cl 34a_100000092845_100009817552 [0,2,0,0,0,0|2,0,0]=4 6059 B12R1.21 C[C@@H](O)COc1cnc(nc1)Cl 7a_100000092845_100009817552 [0,2,0,0,0,0|2,0,0]=4 6060 B12R1.21 C[C@@H](O)COc1cnc(nc1)F 34a_200009874573_100009817552 [0,2,0,0,0,0|2,0,0]=4 6061 B12R1.21 C[C@@H](O)COc1cnc(nc1)F 7a_200009874573_100009817552 [0,2,0,0,0,0|2,0,0]=4 6062 B12R1.21 C[C@@H](O)COc1cnc(nc1)N 34a_100000087137_100009817552 [0,2,0,0,0,0|2,0,0]=4 6063 B12R1.21 C[C@@H](O)COc1cnc(nc1)N 7a_100000087137_100009817552 [0,2,0,0,0,0|2,0,0]=4 6064 B12R1.21 C[C@@H](O)COc1ncc(cn1)F 34a_100011934040_100009817552 [0,2,0,0,0,0|2,0,0]=4 6065 B12R1.21 C[C@@H](O)CSc1cc[n+](cc1)[O-] 62a_100009817552_100000039755 [0,2,0,0,0,0|1,1,0]=4 6066 B12R1.21 C[C@@H](O)CSc1ccc(=O)[nH]c1 62a_100000212171_100009817552 [0,2,0,0,0,0|1,1,0]=4 6067 B12R1.21 C[C@@H](O)CSc1ccc(=O)[nH]c1 62a_100009817552_100000212171 [0,2,0,0,0,0|1,1,0]=4 6068 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Br 62a_100000752885_100009817552 [0,2,0,0,0,0|0,1,0]=3 6069 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Br 62a_100009817552_100000752885 [0,2,0,0,0,0|0,1,0]=3 6070 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Cl 62a_100000755918_100009817552 [0,2,0,0,0,0|0,1,0]=3 6071 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Cl 62a_100009817552_100000755918 [0,2,0,0,0,0|0,1,0]=3 6072 B12R1.21 C[C@@H](O)CSc1ccc(cc1)F 62a_100000211213_100009817552 [0,2,0,0,0,0|0,1,0]=3 6073 B12R1.21 C[C@@H](O)CSc1ccc(cc1)F 62a_100009817552_100000211213 [0,2,0,0,0,0|0,1,0]=3 6074 B12R1.21 C[C@@H](O)CSc1ccc(cc1)N 62a_100000185761_100009817552 [0,2,0,0,0,0|0,1,0]=3 6075 B12R1.21 C[C@@H](O)CSc1ccc(cc1)N 62a_100009817552_100000185761 [0,2,0,0,0,0|0,1,0]=3 6076 B12R1.21 C[C@@H](O)CSc1ccc(cc1)O 62a_100009817552_100000185759 [0,2,0,0,0,0|0,1,0]=3 6077 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Br 62a_100000686858_100009817552 [0,2,0,0,0,0|1,1,0]=4 6078 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Br 62a_100009817552_100000686858 [0,2,0,0,0,0|1,1,0]=4 6079 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Cl 62a_100009817552_100011356976 [0,2,0,0,0,0|1,1,0]=4 6080 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Cl 62a_100011356976_100009817552 [0,2,0,0,0,0|1,1,0]=4 6081 B12R1.21 C[C@@H](O)CSc1ccc(cn1)F 62a_100000744514_100009817552 [0,2,0,0,0,0|1,1,0]=4 6082 B12R1.21 C[C@@H](O)CSc1ccc(cn1)F 62a_100009817552_100000744514 [0,2,0,0,0,0|1,1,0]=4 6083 B12R1.21 C[C@@H](O)CSc1ccc(cn1)N 62a_100000737798_100009817552 [0,2,0,0,0,0|1,1,0]=4 6084 B12R1.21 C[C@@H](O)CSc1ccc(cn1)N 62a_100009817552_100000737798 [0,2,0,0,0,0|1,1,0]=4 6085 B12R1.21 C[C@@H](O)CSc1ccc(cn1)O 62a_100000685995_100009817552 [0,2,0,0,0,0|1,1,0]=4 6086 B12R1.21 C[C@@H](O)CSc1ccc(cn1)O 62a_100009817552_100000744096 [0,2,0,0,0,0|1,1,0]=4 6087 B12R1.21 C[C@@H](O)CSc1ccc(nc1)Br 62a_100009814638_100009817552 [0,2,0,0,0,0|1,1,0]=4 6088 B12R1.21 C[C@@H](O)CSc1ccc(nc1)Br 62a_100009817552_100009814638 [0,2,0,0,0,0|1,1,0]=4 6089 B12R1.21 C[C@@H](O)CSc1ccc(nc1)Cl 62a_100000034144_100009817552 [0,2,0,0,0,0|1,1,0]=4 6090 B12R1.21 C[C@@H](O)CSc1ccc(nc1)Cl 62a_100009817552_100000034144 [0,2,0,0,0,0|1,1,0]=4 6091 B12R1.21 C[C@@H](O)CSc1ccc(nc1)F 62a_100000042367_100009817552 [0,2,0,0,0,0|1,1,0]=4 6092 B12R1.21 C[C@@H](O)CSc1ccc(nc1)F 62a_100009817552_100000042367 [0,2,0,0,0,0|1,1,0]=4 6093 B12R1.21 C[C@@H](O)CSc1ccc(nc1)N 62a_100000187370_100009817552 [0,2,0,0,0,0|1,1,0]=4 6094 B12R1.21 C[C@@H](O)CSc1ccc(nc1)N 62a_100009817552_100000187370 [0,2,0,0,0,0|1,1,0]=4 6095 B12R1.21 Cc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000186775 [0,2,0,0,0,0|1,0,1]=4 6096 B12R1.21 Cc1ccc(cc1)NCC(C)C 34a_100000124888_100000210624 [0,2,0,0,0,0|2,0,0]=4 6097 B12R1.21 Cc1ccc(cc1)NCC(C)O 34a_100000124888_100011218427 [0,2,0,0,0,0|1,0,0]=3 6098 B12R1.21 Cc1ccc(cc1)NCC(F)F 34a_100000124888_100011934356 [0,2,0,0,0,0|2,0,0]=4 6099 B12R1.21 Cc1ccc(cc1)NC[C@@H](C)O 34a_100000124888_100009817552 [0,2,0,0,0,0|1,0,0]=3 6100 B12R1.21 Cc1ccc(cc1)OCC(=O)N 34a_100000210336_100000187820 [0,2,0,0,0,0|0,0,2]=4 6101 B12R1.21 Cc1ccc(cc1)OCC(=O)N 7a_100000210336_100000187820 [0,2,0,0,0,0|0,0,2]=4 6102 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [0,2,0,0,0,0|0,0,2]=4 6103 B12R1.21 Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210336_100020667443 [0,2,0,0,0,0|0,0,2]=4 6104 B12R1.21 Cc1ccc(cc1)OCC(C)C 34a_100000210336_100000210624 [0,2,0,0,0,0|1,0,0]=3 6105 B12R1.21 Cc1ccc(cc1)OCC(C)C 7a_100000210336_100000210760 [0,2,0,0,0,0|1,0,0]=3 6106 B12R1.21 Cc1ccc(cc1)OCC(C)O 34a_100000210336_100011218427 [0,2,0,0,0,0|0,0,0]=2 6107 B12R1.21 Cc1ccc(cc1)OCC(C)O 7a_100000210336_100011218427 [0,2,0,0,0,0|0,0,0]=2 6108 B12R1.21 Cc1ccc(cc1)OCC(F)F 34a_100000210336_100011934356 [0,2,0,0,0,0|1,0,0]=3 6109 B12R1.21 Cc1ccc(cc1)OCC(F)F 7a_100000210336_100011934356 [0,2,0,0,0,0|1,0,0]=3 6110 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 34a_100000210336_100009817552 [0,2,0,0,0,0|0,0,0]=2 6111 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 7a_100000210336_100009817552 [0,2,0,0,0,0|0,0,0]=2 6112 B12R1.21 Cc1ccc(cc1)OC[N+](=O)[O-] 34a_100000210336_100000761209 [0,2,0,0,0,0|1,0,1]=4 6113 B12R1.21 Cc1ccc(cc1)SCC(C)C 62a_100000186775_100000210760 [0,2,0,0,0,0|1,1,0]=4 6114 B12R1.21 Cc1ccc(cc1)SCC(C)C 62a_100000210624_100000186775 [0,2,0,0,0,0|1,1,0]=4 6115 B12R1.21 Cc1ccc(cc1)SCC(C)O 62a_100000186775_100011218427 [0,2,0,0,0,0|0,1,0]=3 6116 B12R1.21 Cc1ccc(cc1)SCC(C)O 62a_100011218427_100000186775 [0,2,0,0,0,0|0,1,0]=3 6117 B12R1.21 Cc1ccc(cc1)SCC(F)F 62a_100000186775_100011934356 [0,2,0,0,0,0|1,1,0]=4 6118 B12R1.21 Cc1ccc(cc1)SCC(F)F 62a_100011934356_100000186775 [0,2,0,0,0,0|1,1,0]=4 6119 B12R1.21 Cc1ccc(cc1)SC[C@@H](C)O 62a_100000186775_100009817552 [0,2,0,0,0,0|0,1,0]=3 6120 B12R1.21 Cc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000186775 [0,2,0,0,0,0|0,1,0]=3 6121 B12R1.21 Cc1ccc(cn1)OCC(C)C 34a_100000745506_100000210624 [0,2,0,0,0,0|2,0,0]=4 6122 B12R1.21 Cc1ccc(cn1)OCC(C)C 7a_100000745506_100000210760 [0,2,0,0,0,0|2,0,0]=4 6123 B12R1.21 Cc1ccc(cn1)OCC(C)O 34a_100000745506_100011218427 [0,2,0,0,0,0|1,0,0]=3 6124 B12R1.21 Cc1ccc(cn1)OCC(C)O 7a_100000745506_100011218427 [0,2,0,0,0,0|1,0,0]=3 6125 B12R1.21 Cc1ccc(cn1)OCC(F)F 34a_100000745506_100011934356 [0,2,0,0,0,0|2,0,0]=4 6126 B12R1.21 Cc1ccc(cn1)OCC(F)F 7a_100000745506_100011934356 [0,2,0,0,0,0|2,0,0]=4 6127 B12R1.21 Cc1ccc(cn1)OC[C@@H](C)O 34a_100000745506_100009817552 [0,2,0,0,0,0|1,0,0]=3 6128 B12R1.21 Cc1ccc(cn1)OC[C@@H](C)O 7a_100000745506_100009817552 [0,2,0,0,0,0|1,0,0]=3 6129 B12R1.21 Cc1ccc(cn1)SCC(C)O 62a_100000751577_100011218427 [0,2,0,0,0,0|1,1,0]=4 6130 B12R1.21 Cc1ccc(cn1)SCC(C)O 62a_100011218427_100000751577 [0,2,0,0,0,0|1,1,0]=4 6131 B12R1.21 Cc1ccc(cn1)SC[C@@H](C)O 62a_100000751577_100009817552 [0,2,0,0,0,0|1,1,0]=4 6132 B12R1.21 Cc1ccc(cn1)SC[C@@H](C)O 62a_100009817552_100000751577 [0,2,0,0,0,0|1,1,0]=4 6133 B12R1.21 Cc1ccc(nc1)OCC(C)C 34a_100000759353_100000210624 [0,2,0,0,0,0|2,0,0]=4 6134 B12R1.21 Cc1ccc(nc1)OCC(C)O 34a_100000759353_100011218427 [0,2,0,0,0,0|1,0,0]=3 6135 B12R1.21 Cc1ccc(nc1)OCC(F)F 34a_100000759353_100011934356 [0,2,0,0,0,0|2,0,0]=4 6136 B12R1.21 Cc1ccc(nc1)OC[C@@H](C)O 34a_100000759353_100009817552 [0,2,0,0,0,0|1,0,0]=3 6137 B12R1.21 Cc1ccc(nc1)SCC(C)O 62a_100011192072_100011218427 [0,2,0,0,0,0|1,1,0]=4 6138 B12R1.21 Cc1ccc(nc1)SCC(C)O 62a_100011218427_100000754016 [0,2,0,0,0,0|1,1,0]=4 6139 B12R1.21 Cc1ccc(nc1)SC[C@@H](C)O 62a_100009817552_100000754016 [0,2,0,0,0,0|1,1,0]=4 6140 B12R1.21 Cc1ccc(nc1)SC[C@@H](C)O 62a_100011192072_100009817552 [0,2,0,0,0,0|1,1,0]=4 6141 B12R1.21 Cc1ncc(cn1)OCC(C)O 34a_100000062939_100011218427 [0,2,0,0,0,0|2,0,0]=4 6142 B12R1.21 Cc1ncc(cn1)OCC(C)O 7a_100000062939_100011218427 [0,2,0,0,0,0|2,0,0]=4 6143 B12R1.21 Cc1ncc(cn1)OC[C@@H](C)O 34a_100000062939_100009817552 [0,2,0,0,0,0|2,0,0]=4 6144 B12R1.21 Cc1ncc(cn1)OC[C@@H](C)O 7a_100000062939_100009817552 [0,2,0,0,0,0|2,0,0]=4 6145 B12R1.21 FC(F)CNc1ccc(cc1)Br 2230a_100000210018_100011934356 [0,2,0,0,0,0|2,0,0]=4 6146 B12R1.21 FC(F)CNc1ccc(cc1)Br 34a_100000210018_100011934356 [0,2,0,0,0,0|2,0,0]=4 6147 B12R1.21 FC(F)CNc1ccc(cc1)Cl 2230a_100000210052_100011934356 [0,2,0,0,0,0|2,0,0]=4 6148 B12R1.21 FC(F)CNc1ccc(cc1)Cl 34a_100000210052_100011934356 [0,2,0,0,0,0|2,0,0]=4 6149 B12R1.21 FC(F)CNc1ccc(cc1)I 34a_100000185761_100011934356 [0,2,0,0,0,0|2,0,0]=4 6150 B12R1.21 FC(F)COc1ccc(cc1)Br 34a_100000185759_100011934356 [0,2,0,0,0,0|1,0,0]=3 6151 B12R1.21 FC(F)COc1ccc(cc1)Br 7a_100000185759_100011934356 [0,2,0,0,0,0|1,0,0]=3 6152 B12R1.21 FC(F)COc1ccc(cc1)Cl 34a_100000210216_100011934356 [0,2,0,0,0,0|1,0,0]=3 6153 B12R1.21 FC(F)COc1ccc(cc1)Cl 7a_100000210216_100011934356 [0,2,0,0,0,0|1,0,0]=3 6154 B12R1.21 FC(F)COc1ccc(cc1)I 34a_100000212066_100011934356 [0,2,0,0,0,0|1,0,0]=3 6155 B12R1.21 FC(F)COc1ccc(cc1)I 7a_100000212066_100011934356 [0,2,0,0,0,0|1,0,0]=3 6156 B12R1.21 FC(F)COc1ccc(cn1)Cl 34a_100011215309_100011934356 [0,2,0,0,0,0|2,0,0]=4 6157 B12R1.21 FC(F)COc1ccc(nc1)Br 34a_100000685995_100011934356 [0,2,0,0,0,0|2,0,0]=4 6158 B12R1.21 FC(F)COc1ccc(nc1)Br 7a_100000685995_100011934356 [0,2,0,0,0,0|2,0,0]=4 6159 B12R1.21 FC(F)COc1ccc(nc1)Cl 34a_100000744096_100011934356 [0,2,0,0,0,0|2,0,0]=4 6160 B12R1.21 FC(F)COc1ccc(nc1)Cl 7a_100000744096_100011934356 [0,2,0,0,0,0|2,0,0]=4 6161 B12R1.21 FC(F)COc1ccc(nc1)I 34a_100000687607_100011934356 [0,2,0,0,0,0|2,0,0]=4 6162 B12R1.21 FC(F)COc1ccc(nc1)I 7a_100000687607_100011934356 [0,2,0,0,0,0|2,0,0]=4 6163 B12R1.21 FC(F)CSc1ccc(cc1)Br 62a_100000752885_100011934356 [0,2,0,0,0,0|1,1,0]=4 6164 B12R1.21 FC(F)CSc1ccc(cc1)Br 62a_100011934356_100000752885 [0,2,0,0,0,0|1,1,0]=4 6165 B12R1.21 FC(F)CSc1ccc(cc1)Cl 62a_100000755918_100011934356 [0,2,0,0,0,0|1,1,0]=4 6166 B12R1.21 FC(F)CSc1ccc(cc1)Cl 62a_100011934356_100000755918 [0,2,0,0,0,0|1,1,0]=4 6167 B12R1.21 Fc1ccc(cc1)NCC(F)F 34a_100000185862_100011934356 [0,2,0,0,0,0|2,0,0]=4 6168 B12R1.21 Fc1ccc(cc1)OCC(F)F 34a_100000210339_100011934356 [0,2,0,0,0,0|1,0,0]=3 6169 B12R1.21 Fc1ccc(cc1)SCC(F)F 62a_100000211213_100011934356 [0,2,0,0,0,0|1,1,0]=4 6170 B12R1.21 Fc1ccc(cc1)SCC(F)F 62a_100011934356_100000211213 [0,2,0,0,0,0|1,1,0]=4 6171 B12R1.21 Fc1ccc(cn1)OCC(F)F 34a_100000688820_100011934356 [0,2,0,0,0,0|2,0,0]=4 6172 B12R1.21 Fc1ccc(cn1)OCC(F)F 7a_100000688820_100011934356 [0,2,0,0,0,0|2,0,0]=4 6173 B12R1.21 Fc1ccc(nc1)OCC(F)F 34a_100000742473_100011934356 [0,2,0,0,0,0|2,0,0]=4 6174 B12R1.21 NC(=O)COc1ccc(cc1)Br 34a_100000185759_100000187820 [0,2,0,0,0,0|0,0,2]=4 6175 B12R1.21 NC(=O)COc1ccc(cc1)Br 7a_100000185759_100000187820 [0,2,0,0,0,0|0,0,2]=4 6176 B12R1.21 NC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000187820 [0,2,0,0,0,0|0,0,2]=4 6177 B12R1.21 NC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000187820 [0,2,0,0,0,0|0,0,2]=4 6178 B12R1.21 NC(=O)COc1ccc(cc1)F 34a_100000210339_100000187820 [0,2,0,0,0,0|0,0,2]=4 6179 B12R1.21 NC(=O)COc1ccc(cc1)I 34a_100000212066_100000187820 [0,2,0,0,0,0|0,0,2]=4 6180 B12R1.21 NC(=O)COc1ccc(cc1)I 7a_100000212066_100000187820 [0,2,0,0,0,0|0,0,2]=4 6181 B12R1.21 NC(=O)COc1ccc(cc1)N 34a_100000185829_100000187820 [0,2,0,0,0,0|0,0,2]=4 6182 B12R1.21 Nc1ccc(cc1)OCC(=O)[O-] 34a_100000185829_100020667443 [0,2,0,0,0,0|0,0,2]=4 6183 B12R1.21 Nc1ccc(cc1)OCC(F)F 34a_100000185829_100011934356 [0,2,0,0,0,0|1,0,0]=3 6184 B12R1.21 Nc1ccc(cc1)OC[N+](=O)[O-] 34a_100000185829_100000761209 [0,2,0,0,0,0|1,0,1]=4 6185 B12R1.21 Nc1ccc(cc1)SCC(F)F 62a_100000185761_100011934356 [0,2,0,0,0,0|1,1,0]=4 6186 B12R1.21 Nc1ccc(cc1)SCC(F)F 62a_100011934356_100000185761 [0,2,0,0,0,0|1,1,0]=4 6187 B12R1.21 Nc1ccc(cn1)OCC(F)F 34a_100015188713_100011934356 [0,2,0,0,0,0|2,0,0]=4 6188 B12R1.21 Nc1ccc(cn1)OCC(F)F 7a_100015188713_100011934356 [0,2,0,0,0,0|2,0,0]=4 6189 B12R1.21 Nc1ccc(nc1)OCC(F)F 34a_100000729260_100011934356 [0,2,0,0,0,0|2,0,0]=4 6190 B12R1.21 O=C([O-])COc1ccc(cc1)Br 34a_100000185759_100020667443 [0,2,0,0,0,0|0,0,2]=4 6191 B12R1.21 O=C([O-])COc1ccc(cc1)Cl 34a_100000210216_100020667443 [0,2,0,0,0,0|0,0,2]=4 6192 B12R1.21 O=C([O-])COc1ccc(cc1)F 34a_100000210339_100020667443 [0,2,0,0,0,0|0,0,2]=4 6193 B12R1.21 O=C([O-])COc1ccc(cc1)I 34a_100000212066_100020667443 [0,2,0,0,0,0|0,0,2]=4 6194 B12R1.21 O=[N+]([O-])COc1ccc(cc1)Br 34a_100000185759_100000761209 [0,2,0,0,0,0|1,0,1]=4 6195 B12R1.21 O=[N+]([O-])COc1ccc(cc1)Cl 34a_100000210216_100000761209 [0,2,0,0,0,0|1,0,1]=4 6196 B12R1.21 O=[N+]([O-])COc1ccc(cc1)F 34a_100000210339_100000761209 [0,2,0,0,0,0|1,0,1]=4 6197 B12R1.21 O=[N+]([O-])COc1ccc(cc1)I 34a_100000212066_100000761209 [0,2,0,0,0,0|1,0,1]=4 6198 B12R1.21 O=c1ccc(c[nH]1)OCC(F)F 34a_100000075641_100011934356 [0,2,0,0,0,0|2,0,0]=4 6199 B12R1.21 Oc1ccc(cc1)NCC(F)F 34a_100000185829_100011934356 [0,2,0,0,0,0|2,0,0]=4 6200 B12R1.21 Oc1ccc(cc1)SCC(F)F 62a_100011934356_100000185759 [0,2,0,0,0,0|1,1,0]=4 6201 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [0,2,0,0,0,0|0,0,2]=4 6202 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [0,2,0,0,0,0|0,0,2]=4 6203 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [0,2,0,0,0,0|0,0,2]=4 6204 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [0,2,0,0,0,0|0,0,2]=4 6205 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [0,2,0,0,0,0|0,0,2]=4 6206 B12R1.49 C#CC(C)Oc1ccc(cc1)Br 34a_100000185759_200000035995 [0,2,0,0,0,0|1,0,1]=4 6207 B12R1.49 C#CC(C)Oc1ccc(cc1)C 34a_100000210336_200000035995 [0,2,0,0,0,0|1,0,1]=4 6208 B12R1.49 C#CC(C)Oc1ccc(cc1)Cl 34a_100000210216_200000035995 [0,2,0,0,0,0|1,0,1]=4 6209 B12R1.49 C#CC(C)Oc1ccc(cc1)F 34a_100000210339_200000035995 [0,2,0,0,0,0|1,0,1]=4 6210 B12R1.49 C#CC(C)Oc1ccc(cc1)I 34a_100000212066_200000035995 [0,2,0,0,0,0|1,0,1]=4 6211 B12R1.49 C#CC(C)Oc1ccc(cc1)N 34a_100000185829_200000035995 [0,2,0,0,0,0|1,0,1]=4 6212 B12R1.49 CC(C#N)Oc1ccc(cc1)Br 7a_100000185759_100000703298 [0,2,0,0,0,0|1,0,1]=4 6213 B12R1.49 CC(C#N)Oc1ccc(cc1)Cl 7a_100000210216_100000703298 [0,2,0,0,0,0|1,0,1]=4 6214 B12R1.49 CC(C#N)Oc1ccc(cc1)I 7a_100000212066_100000703298 [0,2,0,0,0,0|1,0,1]=4 6215 B12R1.49 CC(CO)Nc1ccc(cc1)Br 2230a_100000210018_100012180447 [0,2,0,0,0,0|1,0,0]=3 6216 B12R1.49 CC(CO)Nc1ccc(cc1)Br 34a_100000210018_100012180447 [0,2,0,0,0,0|1,0,0]=3 6217 B12R1.49 CC(CO)Nc1ccc(cc1)Cl 2230a_100000210052_100012180447 [0,2,0,0,0,0|1,0,0]=3 6218 B12R1.49 CC(CO)Nc1ccc(cc1)Cl 34a_100000210052_100012180447 [0,2,0,0,0,0|1,0,0]=3 6219 B12R1.49 CC(CO)Nc1ccc(cc1)F 34a_100000185862_100012180447 [0,2,0,0,0,0|1,0,0]=3 6220 B12R1.49 CC(CO)Nc1ccc(cc1)I 34a_100000185761_100012180447 [0,2,0,0,0,0|1,0,0]=3 6221 B12R1.49 CC(CO)Nc1ccc(cc1)O 34a_100000185829_100012180447 [0,2,0,0,0,0|1,0,0]=3 6222 B12R1.49 CC(CO)Oc1ccc(=O)[nH]c1 34a_100000075641_100012180447 [0,2,0,0,0,0|1,0,0]=3 6223 B12R1.49 CC(CO)Oc1ccc(cc1)Br 34a_100000185759_100012180447 [0,2,0,0,0,0|0,0,0]=2 6224 B12R1.49 CC(CO)Oc1ccc(cc1)Br 7a_100000185759_100012180447 [0,2,0,0,0,0|0,0,0]=2 6225 B12R1.49 CC(CO)Oc1ccc(cc1)Cl 34a_100000210216_100012180447 [0,2,0,0,0,0|0,0,0]=2 6226 B12R1.49 CC(CO)Oc1ccc(cc1)Cl 7a_100000210216_100012180447 [0,2,0,0,0,0|0,0,0]=2 6227 B12R1.49 CC(CO)Oc1ccc(cc1)F 34a_100000210339_100012180447 [0,2,0,0,0,0|0,0,0]=2 6228 B12R1.49 CC(CO)Oc1ccc(cc1)I 34a_100000212066_100012180447 [0,2,0,0,0,0|0,0,0]=2 6229 B12R1.49 CC(CO)Oc1ccc(cc1)I 7a_100000212066_100012180447 [0,2,0,0,0,0|0,0,0]=2 6230 B12R1.49 CC(CO)Oc1ccc(cc1)N 34a_100000185829_100012180447 [0,2,0,0,0,0|0,0,0]=2 6231 B12R1.49 CC(CO)Oc1ccc(cn1)Cl 34a_100011215309_100012180447 [0,2,0,0,0,0|1,0,0]=3 6232 B12R1.49 CC(CO)Oc1ccc(cn1)F 34a_100000742473_100012180447 [0,2,0,0,0,0|1,0,0]=3 6233 B12R1.49 CC(CO)Oc1ccc(cn1)N 34a_100000729260_100012180447 [0,2,0,0,0,0|1,0,0]=3 6234 B12R1.49 CC(CO)Oc1ccc(nc1)Br 34a_100000685995_100012180447 [0,2,0,0,0,0|1,0,0]=3 6235 B12R1.49 CC(CO)Oc1ccc(nc1)Br 7a_100000685995_100012180447 [0,2,0,0,0,0|1,0,0]=3 6236 B12R1.49 CC(CO)Oc1ccc(nc1)Cl 34a_100000744096_100012180447 [0,2,0,0,0,0|1,0,0]=3 6237 B12R1.49 CC(CO)Oc1ccc(nc1)Cl 7a_100000744096_100012180447 [0,2,0,0,0,0|1,0,0]=3 6238 B12R1.49 CC(CO)Oc1ccc(nc1)F 34a_100000688820_100012180447 [0,2,0,0,0,0|1,0,0]=3 6239 B12R1.49 CC(CO)Oc1ccc(nc1)F 7a_100000688820_100012180447 [0,2,0,0,0,0|1,0,0]=3 6240 B12R1.49 CC(CO)Oc1ccc(nc1)I 34a_100000687607_100012180447 [0,2,0,0,0,0|1,0,0]=3 6241 B12R1.49 CC(CO)Oc1ccc(nc1)I 7a_100000687607_100012180447 [0,2,0,0,0,0|1,0,0]=3 6242 B12R1.49 CC(CO)Oc1ccc(nc1)N 34a_100015188713_100012180447 [0,2,0,0,0,0|1,0,0]=3 6243 B12R1.49 CC(CO)Oc1ccc(nc1)N 7a_100015188713_100012180447 [0,2,0,0,0,0|1,0,0]=3 6244 B12R1.49 CC(CO)Oc1cnc(cn1)Br 34a_100011934580_100012180447 [0,2,0,0,0,0|2,0,0]=4 6245 B12R1.49 CC(CO)Oc1cnc(cn1)Cl 34a_100015839800_100012180447 [0,2,0,0,0,0|2,0,0]=4 6246 B12R1.49 CC(CO)Oc1cnc(nc1)Br 34a_100000730009_100012180447 [0,2,0,0,0,0|2,0,0]=4 6247 B12R1.49 CC(CO)Oc1cnc(nc1)Br 7a_100000730009_100012180447 [0,2,0,0,0,0|2,0,0]=4 6248 B12R1.49 CC(CO)Oc1cnc(nc1)Cl 34a_100000092845_100012180447 [0,2,0,0,0,0|2,0,0]=4 6249 B12R1.49 CC(CO)Oc1cnc(nc1)Cl 7a_100000092845_100012180447 [0,2,0,0,0,0|2,0,0]=4 6250 B12R1.49 CC(CO)Oc1cnc(nc1)F 34a_200009874573_100012180447 [0,2,0,0,0,0|2,0,0]=4 6251 B12R1.49 CC(CO)Oc1cnc(nc1)F 7a_200009874573_100012180447 [0,2,0,0,0,0|2,0,0]=4 6252 B12R1.49 CC(CO)Oc1cnc(nc1)N 34a_100000087137_100012180447 [0,2,0,0,0,0|2,0,0]=4 6253 B12R1.49 CC(CO)Oc1cnc(nc1)N 7a_100000087137_100012180447 [0,2,0,0,0,0|2,0,0]=4 6254 B12R1.49 CC(CO)Oc1ncc(cn1)F 34a_100011934040_100012180447 [0,2,0,0,0,0|2,0,0]=4 6255 B12R1.49 CC(CO)Sc1cc[n+](cc1)[O-] 62a_100012180447_100000039755 [0,2,0,0,0,0|1,1,0]=4 6256 B12R1.49 CC(CO)Sc1ccc(=O)[nH]c1 62a_100012180447_100000212171 [0,2,0,0,0,0|1,1,0]=4 6257 B12R1.49 CC(CO)Sc1ccc(cc1)Br 62a_100012180447_100000752885 [0,2,0,0,0,0|0,1,0]=3 6258 B12R1.49 CC(CO)Sc1ccc(cc1)Cl 62a_100012180447_100000755918 [0,2,0,0,0,0|0,1,0]=3 6259 B12R1.49 CC(CO)Sc1ccc(cc1)F 62a_100012180447_100000211213 [0,2,0,0,0,0|0,1,0]=3 6260 B12R1.49 CC(CO)Sc1ccc(cc1)N 62a_100012180447_100000185761 [0,2,0,0,0,0|0,1,0]=3 6261 B12R1.49 CC(CO)Sc1ccc(cc1)O 62a_100012180447_100000185759 [0,2,0,0,0,0|0,1,0]=3 6262 B12R1.49 CC(CO)Sc1ccc(cn1)Br 62a_100012180447_100000686858 [0,2,0,0,0,0|1,1,0]=4 6263 B12R1.49 CC(CO)Sc1ccc(cn1)Cl 62a_100012180447_100011356976 [0,2,0,0,0,0|1,1,0]=4 6264 B12R1.49 CC(CO)Sc1ccc(cn1)F 62a_100012180447_100000744514 [0,2,0,0,0,0|1,1,0]=4 6265 B12R1.49 CC(CO)Sc1ccc(cn1)N 62a_100012180447_100000737798 [0,2,0,0,0,0|1,1,0]=4 6266 B12R1.49 CC(CO)Sc1ccc(cn1)O 62a_100012180447_100000744096 [0,2,0,0,0,0|1,1,0]=4 6267 B12R1.49 CC(CO)Sc1ccc(nc1)Br 62a_100012180447_100009814638 [0,2,0,0,0,0|1,1,0]=4 6268 B12R1.49 CC(CO)Sc1ccc(nc1)Cl 62a_100012180447_100000034144 [0,2,0,0,0,0|1,1,0]=4 6269 B12R1.49 CC(CO)Sc1ccc(nc1)F 62a_100012180447_100000042367 [0,2,0,0,0,0|1,1,0]=4 6270 B12R1.49 CC(CO)Sc1ccc(nc1)N 62a_100012180447_100000187370 [0,2,0,0,0,0|1,1,0]=4 6271 B12R1.49 CCC(=O)Oc1ccc(cc1)O 271570a_203496583355_200009811598 [0,2,0,0,0,0|1,0,1]=4 6272 B12R1.49 CCC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000758301 [0,2,0,0,0,0|2,0,0]=4 6273 B12R1.49 CCC(C)Nc1ccc(cc1)Br 34a_100000210018_100011215416 [0,2,0,0,0,0|2,0,0]=4 6274 B12R1.49 CCC(C)Nc1ccc(cc1)C 34a_100000124888_100011215416 [0,2,0,0,0,0|2,0,0]=4 6275 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000758301 [0,2,0,0,0,0|2,0,0]=4 6276 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 34a_100000210052_100011215416 [0,2,0,0,0,0|2,0,0]=4 6277 B12R1.49 CCC(C)Nc1ccc(cc1)F 34a_100000185862_100011215416 [0,2,0,0,0,0|2,0,0]=4 6278 B12R1.49 CCC(C)Nc1ccc(cc1)I 34a_100000185761_100011215416 [0,2,0,0,0,0|2,0,0]=4 6279 B12R1.49 CCC(C)Nc1ccc(cc1)O 34a_100000185829_100011215416 [0,2,0,0,0,0|2,0,0]=4 6280 B12R1.49 CCC(C)Oc1ccc(=O)[nH]c1 34a_100000075641_100011215416 [0,2,0,0,0,0|2,0,0]=4 6281 B12R1.49 CCC(C)Oc1ccc(cc1)Br 34a_100000185759_100011215416 [0,2,0,0,0,0|1,0,0]=3 6282 B12R1.49 CCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000758301 [0,2,0,0,0,0|1,0,0]=3 6283 B12R1.49 CCC(C)Oc1ccc(cc1)C 34a_100000210336_100011215416 [0,2,0,0,0,0|1,0,0]=3 6284 B12R1.49 CCC(C)Oc1ccc(cc1)C 7a_100000210336_100000758301 [0,2,0,0,0,0|1,0,0]=3 6285 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100011215416 [0,2,0,0,0,0|1,0,0]=3 6286 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000758301 [0,2,0,0,0,0|1,0,0]=3 6287 B12R1.49 CCC(C)Oc1ccc(cc1)F 34a_100000210339_100011215416 [0,2,0,0,0,0|1,0,0]=3 6288 B12R1.49 CCC(C)Oc1ccc(cc1)I 34a_100000212066_100011215416 [0,2,0,0,0,0|1,0,0]=3 6289 B12R1.49 CCC(C)Oc1ccc(cc1)I 7a_100000212066_100000758301 [0,2,0,0,0,0|1,0,0]=3 6290 B12R1.49 CCC(C)Oc1ccc(cc1)N 34a_100000185829_100011215416 [0,2,0,0,0,0|1,0,0]=3 6291 B12R1.49 CCC(C)Oc1ccc(cn1)C 34a_100000759353_100011215416 [0,2,0,0,0,0|2,0,0]=4 6292 B12R1.49 CCC(C)Oc1ccc(cn1)Cl 34a_100011215309_100011215416 [0,2,0,0,0,0|2,0,0]=4 6293 B12R1.49 CCC(C)Oc1ccc(cn1)F 34a_100000742473_100011215416 [0,2,0,0,0,0|2,0,0]=4 6294 B12R1.49 CCC(C)Oc1ccc(cn1)N 34a_100000729260_100011215416 [0,2,0,0,0,0|2,0,0]=4 6295 B12R1.49 CCC(C)Oc1ccc(nc1)Br 34a_100000685995_100011215416 [0,2,0,0,0,0|2,0,0]=4 6296 B12R1.49 CCC(C)Oc1ccc(nc1)Br 7a_100000685995_100000758301 [0,2,0,0,0,0|2,0,0]=4 6297 B12R1.49 CCC(C)Oc1ccc(nc1)C 34a_100000745506_100011215416 [0,2,0,0,0,0|2,0,0]=4 6298 B12R1.49 CCC(C)Oc1ccc(nc1)C 7a_100000745506_100000758301 [0,2,0,0,0,0|2,0,0]=4 6299 B12R1.49 CCC(C)Oc1ccc(nc1)Cl 34a_100000744096_100011215416 [0,2,0,0,0,0|2,0,0]=4 6300 B12R1.49 CCC(C)Oc1ccc(nc1)Cl 7a_100000744096_100000758301 [0,2,0,0,0,0|2,0,0]=4 6301 B12R1.49 CCC(C)Oc1ccc(nc1)F 34a_100000688820_100011215416 [0,2,0,0,0,0|2,0,0]=4 6302 B12R1.49 CCC(C)Oc1ccc(nc1)F 7a_100000688820_100000758301 [0,2,0,0,0,0|2,0,0]=4 6303 B12R1.49 CCC(C)Oc1ccc(nc1)I 34a_100000687607_100011215416 [0,2,0,0,0,0|2,0,0]=4 6304 B12R1.49 CCC(C)Oc1ccc(nc1)I 7a_100000687607_100000758301 [0,2,0,0,0,0|2,0,0]=4 6305 B12R1.49 CCC(C)Oc1ccc(nc1)N 34a_100015188713_100011215416 [0,2,0,0,0,0|2,0,0]=4 6306 B12R1.49 CCC(C)Oc1ccc(nc1)N 7a_100015188713_100000758301 [0,2,0,0,0,0|2,0,0]=4 6307 B12R1.49 CCC(C)Sc1ccc(cc1)Br 62a_100000752885_100000758301 [0,2,0,0,0,0|1,1,0]=4 6308 B12R1.49 CCC(C)Sc1ccc(cc1)Br 62a_100000758301_100000752885 [0,2,0,0,0,0|1,1,0]=4 6309 B12R1.49 CCC(C)Sc1ccc(cc1)C 62a_100000186775_100000758301 [0,2,0,0,0,0|1,1,0]=4 6310 B12R1.49 CCC(C)Sc1ccc(cc1)C 62a_100000758301_100000186775 [0,2,0,0,0,0|1,1,0]=4 6311 B12R1.49 CCC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000758301 [0,2,0,0,0,0|1,1,0]=4 6312 B12R1.49 CCC(C)Sc1ccc(cc1)Cl 62a_100000758301_100000755918 [0,2,0,0,0,0|1,1,0]=4 6313 B12R1.49 CCC(C)Sc1ccc(cc1)F 62a_100000211213_100000758301 [0,2,0,0,0,0|1,1,0]=4 6314 B12R1.49 CCC(C)Sc1ccc(cc1)F 62a_100000758301_100000211213 [0,2,0,0,0,0|1,1,0]=4 6315 B12R1.49 CCC(C)Sc1ccc(cc1)N 62a_100000185761_100000758301 [0,2,0,0,0,0|1,1,0]=4 6316 B12R1.49 CCC(C)Sc1ccc(cc1)N 62a_100000758301_100000185761 [0,2,0,0,0,0|1,1,0]=4 6317 B12R1.49 CCC(C)Sc1ccc(cc1)O 62a_100000758301_100000185759 [0,2,0,0,0,0|1,1,0]=4 6318 B12R1.49 C[C@H](CO)Nc1ccc(cn1)Br 27a_100000737577_100000686858 [0,2,0,0,0,0|2,0,0]=4 6319 B12R1.49 C[C@H](CO)Sc1cc[n+](cc1)[O-] 62a_100016084084_100000039755 [0,2,0,0,0,0|1,1,0]=4 6320 B12R1.49 C[C@H](CO)Sc1ccc(=O)[nH]c1 62a_100000212171_100016084084 [0,2,0,0,0,0|1,1,0]=4 6321 B12R1.49 C[C@H](CO)Sc1ccc(=O)[nH]c1 62a_100016084084_100000212171 [0,2,0,0,0,0|1,1,0]=4 6322 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Br 62a_100000752885_100016084084 [0,2,0,0,0,0|0,1,0]=3 6323 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Br 62a_100016084084_100000752885 [0,2,0,0,0,0|0,1,0]=3 6324 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Cl 62a_100000755918_100016084084 [0,2,0,0,0,0|0,1,0]=3 6325 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Cl 62a_100016084084_100000755918 [0,2,0,0,0,0|0,1,0]=3 6326 B12R1.49 C[C@H](CO)Sc1ccc(cc1)F 62a_100000211213_100016084084 [0,2,0,0,0,0|0,1,0]=3 6327 B12R1.49 C[C@H](CO)Sc1ccc(cc1)F 62a_100016084084_100000211213 [0,2,0,0,0,0|0,1,0]=3 6328 B12R1.49 C[C@H](CO)Sc1ccc(cc1)N 62a_100000185761_100016084084 [0,2,0,0,0,0|0,1,0]=3 6329 B12R1.49 C[C@H](CO)Sc1ccc(cc1)N 62a_100016084084_100000185761 [0,2,0,0,0,0|0,1,0]=3 6330 B12R1.49 C[C@H](CO)Sc1ccc(cc1)O 62a_100016084084_100000185759 [0,2,0,0,0,0|0,1,0]=3 6331 B12R1.49 C[C@H](CO)Sc1ccc(cn1)Br 62a_100000686858_100016084084 [0,2,0,0,0,0|1,1,0]=4 6332 B12R1.49 C[C@H](CO)Sc1ccc(cn1)Br 62a_100016084084_100000686858 [0,2,0,0,0,0|1,1,0]=4 6333 B12R1.49 C[C@H](CO)Sc1ccc(cn1)Cl 62a_100011356976_100016084084 [0,2,0,0,0,0|1,1,0]=4 6334 B12R1.49 C[C@H](CO)Sc1ccc(cn1)Cl 62a_100016084084_100011356976 [0,2,0,0,0,0|1,1,0]=4 6335 B12R1.49 C[C@H](CO)Sc1ccc(cn1)F 62a_100000744514_100016084084 [0,2,0,0,0,0|1,1,0]=4 6336 B12R1.49 C[C@H](CO)Sc1ccc(cn1)F 62a_100016084084_100000744514 [0,2,0,0,0,0|1,1,0]=4 6337 B12R1.49 C[C@H](CO)Sc1ccc(cn1)N 62a_100000737798_100016084084 [0,2,0,0,0,0|1,1,0]=4 6338 B12R1.49 C[C@H](CO)Sc1ccc(cn1)N 62a_100016084084_100000737798 [0,2,0,0,0,0|1,1,0]=4 6339 B12R1.49 C[C@H](CO)Sc1ccc(cn1)O 62a_100000685995_100016084084 [0,2,0,0,0,0|1,1,0]=4 6340 B12R1.49 C[C@H](CO)Sc1ccc(cn1)O 62a_100016084084_100000744096 [0,2,0,0,0,0|1,1,0]=4 6341 B12R1.49 C[C@H](CO)Sc1ccc(nc1)Br 62a_100009814638_100016084084 [0,2,0,0,0,0|1,1,0]=4 6342 B12R1.49 C[C@H](CO)Sc1ccc(nc1)Br 62a_100016084084_100009814638 [0,2,0,0,0,0|1,1,0]=4 6343 B12R1.49 C[C@H](CO)Sc1ccc(nc1)Cl 62a_100000034144_100016084084 [0,2,0,0,0,0|1,1,0]=4 6344 B12R1.49 C[C@H](CO)Sc1ccc(nc1)Cl 62a_100016084084_100000034144 [0,2,0,0,0,0|1,1,0]=4 6345 B12R1.49 C[C@H](CO)Sc1ccc(nc1)F 62a_100000042367_100016084084 [0,2,0,0,0,0|1,1,0]=4 6346 B12R1.49 C[C@H](CO)Sc1ccc(nc1)F 62a_100016084084_100000042367 [0,2,0,0,0,0|1,1,0]=4 6347 B12R1.49 C[C@H](CO)Sc1ccc(nc1)N 62a_100000187370_100016084084 [0,2,0,0,0,0|1,1,0]=4 6348 B12R1.49 C[C@H](CO)Sc1ccc(nc1)N 62a_100016084084_100000187370 [0,2,0,0,0,0|1,1,0]=4 6349 B12R1.49 Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000210814 [0,2,0,0,0,0|1,0,1]=4 6350 B12R1.49 Cc1ccc(cc1)NC(=O)CO 22a_100000124888_100000210174 [0,2,0,0,0,0|1,0,1]=4 6351 B12R1.49 Cc1ccc(cc1)NC(=O)CO 527a_100000124888_100000210174 [0,2,0,0,0,0|1,0,1]=4 6352 B12R1.49 Cc1ccc(cc1)NC(C)CO 34a_100000124888_100012180447 [0,2,0,0,0,0|1,0,0]=3 6353 B12R1.49 Cc1ccc(cc1)OC(C)C#N 7a_100000210336_100000703298 [0,2,0,0,0,0|1,0,1]=4 6354 B12R1.49 Cc1ccc(cc1)OC(C)CO 34a_100000210336_100012180447 [0,2,0,0,0,0|0,0,0]=2 6355 B12R1.49 Cc1ccc(cc1)OC(C)CO 7a_100000210336_100012180447 [0,2,0,0,0,0|0,0,0]=2 6356 B12R1.49 Cc1ccc(cc1)SC(C)CO 62a_100012180447_100000186775 [0,2,0,0,0,0|0,1,0]=3 6357 B12R1.49 Cc1ccc(cc1)S[C@H](C)CO 62a_100000186775_100016084084 [0,2,0,0,0,0|0,1,0]=3 6358 B12R1.49 Cc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000186775 [0,2,0,0,0,0|0,1,0]=3 6359 B12R1.49 Cc1ccc(cn1)OC(C)CO 34a_100000745506_100012180447 [0,2,0,0,0,0|1,0,0]=3 6360 B12R1.49 Cc1ccc(cn1)OC(C)CO 7a_100000745506_100012180447 [0,2,0,0,0,0|1,0,0]=3 6361 B12R1.49 Cc1ccc(cn1)SC(C)CO 62a_100012180447_100000751577 [0,2,0,0,0,0|1,1,0]=4 6362 B12R1.49 Cc1ccc(cn1)S[C@H](C)CO 62a_100000751577_100016084084 [0,2,0,0,0,0|1,1,0]=4 6363 B12R1.49 Cc1ccc(cn1)S[C@H](C)CO 62a_100016084084_100000751577 [0,2,0,0,0,0|1,1,0]=4 6364 B12R1.49 Cc1ccc(nc1)OC(C)CO 34a_100000759353_100012180447 [0,2,0,0,0,0|1,0,0]=3 6365 B12R1.49 Cc1ccc(nc1)SC(C)CO 62a_100012180447_100000754016 [0,2,0,0,0,0|1,1,0]=4 6366 B12R1.49 Cc1ccc(nc1)S[C@H](C)CO 62a_100011192072_100016084084 [0,2,0,0,0,0|1,1,0]=4 6367 B12R1.49 Cc1ccc(nc1)S[C@H](C)CO 62a_100016084084_100000754016 [0,2,0,0,0,0|1,1,0]=4 6368 B12R1.49 Cc1ncc(cn1)OC(C)CO 34a_100000062939_100012180447 [0,2,0,0,0,0|2,0,0]=4 6369 B12R1.49 Cc1ncc(cn1)OC(C)CO 7a_100000062939_100012180447 [0,2,0,0,0,0|2,0,0]=4 6370 B12R1.49 O=C(CO)Cc1ccc(cc1)Br 1458a_100000210174_100000189115 [0,2,0,0,0,0|1,0,1]=4 6371 B12R1.49 O=C(CO)Cc1ccc(cc1)Cl 1458a_100000210174_100000694040 [0,2,0,0,0,0|1,0,1]=4 6372 B12R1.49 O=C(CO)Cc1ccc(cc1)F 1458a_100000210174_100000198546 [0,2,0,0,0,0|1,0,1]=4 6373 B12R1.49 O=C(CO)Cc1ccc(cc1)I 1458a_100000210174_100000189116 [0,2,0,0,0,0|1,0,1]=4 6374 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 22a_100000210018_100000210174 [0,2,0,0,0,0|1,0,1]=4 6375 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 527a_100000210018_100000210174 [0,2,0,0,0,0|1,0,1]=4 6376 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 22a_100000210052_100000210174 [0,2,0,0,0,0|1,0,1]=4 6377 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 527a_100000210052_100000210174 [0,2,0,0,0,0|1,0,1]=4 6378 B12R1.49 O=C(CO)Nc1ccc(cc1)F 22a_100000185862_100000210174 [0,2,0,0,0,0|1,0,1]=4 6379 B12R1.49 O=C(CO)Nc1ccc(cc1)F 527a_100000185862_100000210174 [0,2,0,0,0,0|1,0,1]=4 6380 B12R1.49 O=C(CO)Nc1ccc(cc1)I 22a_100000185761_100000210174 [0,2,0,0,0,0|1,0,1]=4 6381 B12R1.49 O=C(CO)Nc1ccc(cc1)I 527a_100000185761_100000210174 [0,2,0,0,0,0|1,0,1]=4 6382 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [0,2,0,0,0,0|1,0,1]=4 6383 B12R1.69 C#CCOc1ccc(cc1Br)Br 34a_100000188717_100000184674 [0,2,0,0,0,0|1,0,1]=4 6384 B12R1.69 C#CCOc1ccc(cc1Br)Br 7a_100000188717_100000038162 [0,2,0,0,0,0|1,0,1]=4 6385 B12R1.69 C#CCOc1ccc(cc1Br)C 34a_100000210800_100000184674 [0,2,0,0,0,0|1,0,1]=4 6386 B12R1.69 C#CCOc1ccc(cc1Br)C 7a_100000210800_100000038162 [0,2,0,0,0,0|1,0,1]=4 6387 B12R1.69 C#CCOc1ccc(cc1Br)Cl 34a_100000211998_100000184674 [0,2,0,0,0,0|1,0,1]=4 6388 B12R1.69 C#CCOc1ccc(cc1Br)Cl 7a_100000211998_100000038162 [0,2,0,0,0,0|1,0,1]=4 6389 B12R1.69 C#CCOc1ccc(cc1Br)F 34a_100000211999_100000184674 [0,2,0,0,0,0|1,0,1]=4 6390 B12R1.69 C#CCOc1ccc(cc1Br)F 7a_100000211999_100000038162 [0,2,0,0,0,0|1,0,1]=4 6391 B12R1.69 C#CCOc1ccc(cc1Br)I 34a_100012361655_100000184674 [0,2,0,0,0,0|1,0,1]=4 6392 B12R1.69 C#CCOc1ccc(cc1Br)I 7a_100012361655_100000038162 [0,2,0,0,0,0|1,0,1]=4 6393 B12R1.69 C#CCOc1ccc(cc1Br)N 34a_100011534360_100000184674 [0,2,0,0,0,0|1,0,1]=4 6394 B12R1.69 C#CCOc1ccc(cc1Br)N 7a_100011534360_100000038162 [0,2,0,0,0,0|1,0,1]=4 6395 B12R1.69 C#CCOc1ccc(cc1C)Br 34a_100000186361_100000184674 [0,2,0,0,0,0|1,0,1]=4 6396 B12R1.69 C#CCOc1ccc(cc1C)Br 7a_100000186361_100000038162 [0,2,0,0,0,0|1,0,1]=4 6397 B12R1.69 C#CCOc1ccc(cc1C)C 34a_100000211776_100000184674 [0,2,0,0,0,0|1,0,1]=4 6398 B12R1.69 C#CCOc1ccc(cc1C)C 7a_100000211776_100000038162 [0,2,0,0,0,0|1,0,1]=4 6399 B12R1.69 C#CCOc1ccc(cc1C)Cl 34a_100000211091_100000184674 [0,2,0,0,0,0|1,0,1]=4 6400 B12R1.69 C#CCOc1ccc(cc1C)Cl 7a_100000211091_100000038162 [0,2,0,0,0,0|1,0,1]=4 6401 B12R1.69 C#CCOc1ccc(cc1C)F 34a_100000764316_100000184674 [0,2,0,0,0,0|1,0,1]=4 6402 B12R1.69 C#CCOc1ccc(cc1C)F 7a_100000764316_100000038162 [0,2,0,0,0,0|1,0,1]=4 6403 B12R1.69 C#CCOc1ccc(cc1C)I 34a_100011218673_100000184674 [0,2,0,0,0,0|1,0,1]=4 6404 B12R1.69 C#CCOc1ccc(cc1C)I 7a_100011218673_100000038162 [0,2,0,0,0,0|1,0,1]=4 6405 B12R1.69 C#CCOc1ccc(cc1C)N 34a_100011218179_100000184674 [0,2,0,0,0,0|1,0,1]=4 6406 B12R1.69 C#CCOc1ccc(cc1C)N 7a_100011218179_100000038162 [0,2,0,0,0,0|1,0,1]=4 6407 B12R1.69 C#CCOc1ccc(cc1Cl)Br 34a_100000186472_100000184674 [0,2,0,0,0,0|1,0,1]=4 6408 B12R1.69 C#CCOc1ccc(cc1Cl)Br 7a_100000186472_100000038162 [0,2,0,0,0,0|1,0,1]=4 6409 B12R1.69 C#CCOc1ccc(cc1Cl)C 34a_100000749699_100000184674 [0,2,0,0,0,0|1,0,1]=4 6410 B12R1.69 C#CCOc1ccc(cc1Cl)C 7a_100000749699_100000038162 [0,2,0,0,0,0|1,0,1]=4 6411 B12R1.69 C#CCOc1ccc(cc1Cl)Cl 34a_100015191787_100000184674 [0,2,0,0,0,0|1,0,1]=4 6412 B12R1.69 C#CCOc1ccc(cc1Cl)Cl 7a_100015191787_100000038162 [0,2,0,0,0,0|1,0,1]=4 6413 B12R1.69 C#CCOc1ccc(cc1Cl)F 34a_100000212004_100000184674 [0,2,0,0,0,0|1,0,1]=4 6414 B12R1.69 C#CCOc1ccc(cc1Cl)F 7a_100000212004_100000038162 [0,2,0,0,0,0|1,0,1]=4 6415 B12R1.69 C#CCOc1ccc(cc1Cl)I 34a_100012360047_100000184674 [0,2,0,0,0,0|1,0,1]=4 6416 B12R1.69 C#CCOc1ccc(cc1Cl)I 7a_100012360047_100000038162 [0,2,0,0,0,0|1,0,1]=4 6417 B12R1.69 C#CCOc1ccc(cc1Cl)N 34a_100000744943_100000184674 [0,2,0,0,0,0|1,0,1]=4 6418 B12R1.69 C#CCOc1ccc(cc1Cl)N 7a_100000744943_100000038162 [0,2,0,0,0,0|1,0,1]=4 6419 B12R1.69 C#CCOc1ccc(cc1F)Br 34a_100000185481_100000184674 [0,2,0,0,0,0|1,0,1]=4 6420 B12R1.69 C#CCOc1ccc(cc1F)Br 7a_100000185481_100000038162 [0,2,0,0,0,0|1,0,1]=4 6421 B12R1.69 C#CCOc1ccc(cc1F)C 34a_100011216688_100000184674 [0,2,0,0,0,0|1,0,1]=4 6422 B12R1.69 C#CCOc1ccc(cc1F)C 7a_100011216688_100000038162 [0,2,0,0,0,0|1,0,1]=4 6423 B12R1.69 C#CCOc1ccc(cc1F)Cl 34a_100000230166_100000184674 [0,2,0,0,0,0|1,0,1]=4 6424 B12R1.69 C#CCOc1ccc(cc1F)Cl 7a_100000230166_100000038162 [0,2,0,0,0,0|1,0,1]=4 6425 B12R1.69 C#CCOc1ccc(cc1F)F 34a_100000230127_100000184674 [0,2,0,0,0,0|1,0,1]=4 6426 B12R1.69 C#CCOc1ccc(cc1F)F 7a_100000230127_100000038162 [0,2,0,0,0,0|1,0,1]=4 6427 B12R1.69 C#CCOc1ccc(cc1F)I 34a_100011356965_100000184674 [0,2,0,0,0,0|1,0,1]=4 6428 B12R1.69 C#CCOc1ccc(cc1F)I 7a_100011356965_100000038162 [0,2,0,0,0,0|1,0,1]=4 6429 B12R1.69 C#CCOc1ccc(cc1F)N 34a_100011220035_100000184674 [0,2,0,0,0,0|1,0,1]=4 6430 B12R1.69 C#CCOc1ccc(cc1F)N 7a_100011220035_100000038162 [0,2,0,0,0,0|1,0,1]=4 6431 B12R1.69 C#CCOc1ccc(cc1I)Br 34a_100012355227_100000184674 [0,2,0,0,0,0|1,0,1]=4 6432 B12R1.69 C#CCOc1ccc(cc1I)Br 7a_100012355227_100000038162 [0,2,0,0,0,0|1,0,1]=4 6433 B12R1.69 C#CCOc1ccc(cc1I)C 34a_100000765521_100000184674 [0,2,0,0,0,0|1,0,1]=4 6434 B12R1.69 C#CCOc1ccc(cc1I)C 7a_100000765521_100000038162 [0,2,0,0,0,0|1,0,1]=4 6435 B12R1.69 C#CCOc1ccc(cc1I)Cl 34a_100011356953_100000184674 [0,2,0,0,0,0|1,0,1]=4 6436 B12R1.69 C#CCOc1ccc(cc1I)Cl 7a_100011356953_100000038162 [0,2,0,0,0,0|1,0,1]=4 6437 B12R1.69 C#CCOc1ccc(cc1I)F 34a_100012355409_100000184674 [0,2,0,0,0,0|1,0,1]=4 6438 B12R1.69 C#CCOc1ccc(cc1I)F 7a_100012355409_100000038162 [0,2,0,0,0,0|1,0,1]=4 6439 B12R1.69 C#CCOc1ccc(cc1I)I 7a_100010001573_100000038162 [0,2,0,0,0,0|1,0,1]=4 6440 B12R1.69 C#CCOc1ccc(cc1N)Br 34a_100000752626_100000184674 [0,2,0,0,0,0|1,0,1]=4 6441 B12R1.69 C#CCOc1ccc(cc1N)Br 7a_100000752626_100000038162 [0,2,0,0,0,0|1,0,1]=4 6442 B12R1.69 C#CCOc1ccc(cc1N)C 34a_100011215204_100000184674 [0,2,0,0,0,0|1,0,1]=4 6443 B12R1.69 C#CCOc1ccc(cc1N)C 7a_100011215204_100000038162 [0,2,0,0,0,0|1,0,1]=4 6444 B12R1.69 C#CCOc1ccc(cc1N)Cl 34a_100000210500_100000184674 [0,2,0,0,0,0|1,0,1]=4 6445 B12R1.69 C#CCOc1ccc(cc1N)Cl 7a_100000210500_100000038162 [0,2,0,0,0,0|1,0,1]=4 6446 B12R1.69 C#CCOc1ccc(cc1N)F 34a_100000759472_100000184674 [0,2,0,0,0,0|1,0,1]=4 6447 B12R1.69 C#CCOc1ccc(cc1N)F 7a_100000759472_100000038162 [0,2,0,0,0,0|1,0,1]=4 6448 B12R1.69 C#CCOc1ccc(cc1N)I 34a_100000753495_100000184674 [0,2,0,0,0,0|1,0,1]=4 6449 B12R1.69 C#CCOc1ccc(cc1N)I 7a_100000753495_100000038162 [0,2,0,0,0,0|1,0,1]=4 6450 B12R1.69 C#CCOc1ccc(cc1N)N 34a_100000725306_100000184674 [0,2,0,0,0,0|1,0,1]=4 6451 B12R1.69 C=CCOc1ccc(cc1Br)Br 34a_100000188717_100015514636 [0,2,0,0,0,0|1,0,1]=4 6452 B12R1.69 C=CCOc1ccc(cc1Br)Br 7a_100000188717_100015514636 [0,2,0,0,0,0|1,0,1]=4 6453 B12R1.69 C=CCOc1ccc(cc1Br)C 34a_100000210800_100015514636 [0,2,0,0,0,0|1,0,1]=4 6454 B12R1.69 C=CCOc1ccc(cc1Br)C 7a_100000210800_100015514636 [0,2,0,0,0,0|1,0,1]=4 6455 B12R1.69 C=CCOc1ccc(cc1Br)Cl 34a_100000211998_100015514636 [0,2,0,0,0,0|1,0,1]=4 6456 B12R1.69 C=CCOc1ccc(cc1Br)Cl 7a_100000211998_100015514636 [0,2,0,0,0,0|1,0,1]=4 6457 B12R1.69 C=CCOc1ccc(cc1Br)F 34a_100000211999_100015514636 [0,2,0,0,0,0|1,0,1]=4 6458 B12R1.69 C=CCOc1ccc(cc1Br)F 7a_100000211999_100015514636 [0,2,0,0,0,0|1,0,1]=4 6459 B12R1.69 C=CCOc1ccc(cc1Br)I 34a_100012361655_100015514636 [0,2,0,0,0,0|1,0,1]=4 6460 B12R1.69 C=CCOc1ccc(cc1Br)I 7a_100012361655_100015514636 [0,2,0,0,0,0|1,0,1]=4 6461 B12R1.69 C=CCOc1ccc(cc1Br)N 34a_100011534360_100015514636 [0,2,0,0,0,0|1,0,1]=4 6462 B12R1.69 C=CCOc1ccc(cc1Br)N 7a_100011534360_100015514636 [0,2,0,0,0,0|1,0,1]=4 6463 B12R1.69 C=CCOc1ccc(cc1C)Br 34a_100000186361_100015514636 [0,2,0,0,0,0|1,0,1]=4 6464 B12R1.69 C=CCOc1ccc(cc1C)Br 7a_100000186361_100015514636 [0,2,0,0,0,0|1,0,1]=4 6465 B12R1.69 C=CCOc1ccc(cc1C)C 34a_100000211776_100015514636 [0,2,0,0,0,0|1,0,1]=4 6466 B12R1.69 C=CCOc1ccc(cc1C)C 7a_100000211776_100015514636 [0,2,0,0,0,0|1,0,1]=4 6467 B12R1.69 C=CCOc1ccc(cc1C)Cl 34a_100000211091_100015514636 [0,2,0,0,0,0|1,0,1]=4 6468 B12R1.69 C=CCOc1ccc(cc1C)Cl 7a_100000211091_100015514636 [0,2,0,0,0,0|1,0,1]=4 6469 B12R1.69 C=CCOc1ccc(cc1C)F 34a_100000764316_100015514636 [0,2,0,0,0,0|1,0,1]=4 6470 B12R1.69 C=CCOc1ccc(cc1C)F 7a_100000764316_100015514636 [0,2,0,0,0,0|1,0,1]=4 6471 B12R1.69 C=CCOc1ccc(cc1C)I 34a_100011218673_100015514636 [0,2,0,0,0,0|1,0,1]=4 6472 B12R1.69 C=CCOc1ccc(cc1C)I 7a_100011218673_100015514636 [0,2,0,0,0,0|1,0,1]=4 6473 B12R1.69 C=CCOc1ccc(cc1C)N 34a_100011218179_100015514636 [0,2,0,0,0,0|1,0,1]=4 6474 B12R1.69 C=CCOc1ccc(cc1C)N 7a_100011218179_100015514636 [0,2,0,0,0,0|1,0,1]=4 6475 B12R1.69 C=CCOc1ccc(cc1Cl)Br 34a_100000186472_100015514636 [0,2,0,0,0,0|1,0,1]=4 6476 B12R1.69 C=CCOc1ccc(cc1Cl)Br 7a_100000186472_100015514636 [0,2,0,0,0,0|1,0,1]=4 6477 B12R1.69 C=CCOc1ccc(cc1Cl)C 34a_100000749699_100015514636 [0,2,0,0,0,0|1,0,1]=4 6478 B12R1.69 C=CCOc1ccc(cc1Cl)C 7a_100000749699_100015514636 [0,2,0,0,0,0|1,0,1]=4 6479 B12R1.69 C=CCOc1ccc(cc1Cl)Cl 34a_100015191787_100015514636 [0,2,0,0,0,0|1,0,1]=4 6480 B12R1.69 C=CCOc1ccc(cc1Cl)Cl 7a_100015191787_100015514636 [0,2,0,0,0,0|1,0,1]=4 6481 B12R1.69 C=CCOc1ccc(cc1Cl)F 34a_100000212004_100015514636 [0,2,0,0,0,0|1,0,1]=4 6482 B12R1.69 C=CCOc1ccc(cc1Cl)F 7a_100000212004_100015514636 [0,2,0,0,0,0|1,0,1]=4 6483 B12R1.69 C=CCOc1ccc(cc1Cl)I 34a_100012360047_100015514636 [0,2,0,0,0,0|1,0,1]=4 6484 B12R1.69 C=CCOc1ccc(cc1Cl)I 7a_100012360047_100015514636 [0,2,0,0,0,0|1,0,1]=4 6485 B12R1.69 C=CCOc1ccc(cc1Cl)N 34a_100000744943_100015514636 [0,2,0,0,0,0|1,0,1]=4 6486 B12R1.69 C=CCOc1ccc(cc1Cl)N 7a_100000744943_100015514636 [0,2,0,0,0,0|1,0,1]=4 6487 B12R1.69 C=CCOc1ccc(cc1F)Br 34a_100000185481_100015514636 [0,2,0,0,0,0|1,0,1]=4 6488 B12R1.69 C=CCOc1ccc(cc1F)Br 7a_100000185481_100015514636 [0,2,0,0,0,0|1,0,1]=4 6489 B12R1.69 C=CCOc1ccc(cc1F)C 34a_100011216688_100015514636 [0,2,0,0,0,0|1,0,1]=4 6490 B12R1.69 C=CCOc1ccc(cc1F)C 7a_100011216688_100015514636 [0,2,0,0,0,0|1,0,1]=4 6491 B12R1.69 C=CCOc1ccc(cc1F)Cl 34a_100000230166_100015514636 [0,2,0,0,0,0|1,0,1]=4 6492 B12R1.69 C=CCOc1ccc(cc1F)Cl 7a_100000230166_100015514636 [0,2,0,0,0,0|1,0,1]=4 6493 B12R1.69 C=CCOc1ccc(cc1F)F 34a_100000230127_100015514636 [0,2,0,0,0,0|1,0,1]=4 6494 B12R1.69 C=CCOc1ccc(cc1F)F 7a_100000230127_100015514636 [0,2,0,0,0,0|1,0,1]=4 6495 B12R1.69 C=CCOc1ccc(cc1F)I 34a_100011356965_100015514636 [0,2,0,0,0,0|1,0,1]=4 6496 B12R1.69 C=CCOc1ccc(cc1F)I 7a_100011356965_100015514636 [0,2,0,0,0,0|1,0,1]=4 6497 B12R1.69 C=CCOc1ccc(cc1F)N 34a_100011220035_100015514636 [0,2,0,0,0,0|1,0,1]=4 6498 B12R1.69 C=CCOc1ccc(cc1F)N 7a_100011220035_100015514636 [0,2,0,0,0,0|1,0,1]=4 6499 B12R1.69 C=CCOc1ccc(cc1I)Br 34a_100012355227_100015514636 [0,2,0,0,0,0|1,0,1]=4 6500 B12R1.69 C=CCOc1ccc(cc1I)Br 7a_100012355227_100015514636 [0,2,0,0,0,0|1,0,1]=4 6501 B12R1.69 C=CCOc1ccc(cc1I)C 34a_100000765521_100015514636 [0,2,0,0,0,0|1,0,1]=4 6502 B12R1.69 C=CCOc1ccc(cc1I)C 7a_100000765521_100015514636 [0,2,0,0,0,0|1,0,1]=4 6503 B12R1.69 C=CCOc1ccc(cc1I)Cl 34a_100011356953_100015514636 [0,2,0,0,0,0|1,0,1]=4 6504 B12R1.69 C=CCOc1ccc(cc1I)Cl 7a_100011356953_100015514636 [0,2,0,0,0,0|1,0,1]=4 6505 B12R1.69 C=CCOc1ccc(cc1I)F 34a_100012355409_100015514636 [0,2,0,0,0,0|1,0,1]=4 6506 B12R1.69 C=CCOc1ccc(cc1I)F 7a_100012355409_100015514636 [0,2,0,0,0,0|1,0,1]=4 6507 B12R1.69 C=CCOc1ccc(cc1I)I 7a_100010001573_100015514636 [0,2,0,0,0,0|1,0,1]=4 6508 B12R1.69 C=CCOc1ccc(cc1N)Br 34a_100000752626_100015514636 [0,2,0,0,0,0|1,0,1]=4 6509 B12R1.69 C=CCOc1ccc(cc1N)Br 7a_100000752626_100015514636 [0,2,0,0,0,0|1,0,1]=4 6510 B12R1.69 C=CCOc1ccc(cc1N)C 34a_100011215204_100015514636 [0,2,0,0,0,0|1,0,1]=4 6511 B12R1.69 C=CCOc1ccc(cc1N)C 7a_100011215204_100015514636 [0,2,0,0,0,0|1,0,1]=4 6512 B12R1.69 C=CCOc1ccc(cc1N)Cl 34a_100000210500_100015514636 [0,2,0,0,0,0|1,0,1]=4 6513 B12R1.69 C=CCOc1ccc(cc1N)Cl 7a_100000210500_100015514636 [0,2,0,0,0,0|1,0,1]=4 6514 B12R1.69 C=CCOc1ccc(cc1N)F 34a_100000759472_100015514636 [0,2,0,0,0,0|1,0,1]=4 6515 B12R1.69 C=CCOc1ccc(cc1N)F 7a_100000759472_100015514636 [0,2,0,0,0,0|1,0,1]=4 6516 B12R1.69 C=CCOc1ccc(cc1N)I 34a_100000753495_100015514636 [0,2,0,0,0,0|1,0,1]=4 6517 B12R1.69 C=CCOc1ccc(cc1N)I 7a_100000753495_100015514636 [0,2,0,0,0,0|1,0,1]=4 6518 B12R1.69 C=CCOc1ccc(cc1N)N 34a_100000725306_100015514636 [0,2,0,0,0,0|1,0,1]=4 6519 B12R1.69 CCCCc1ccc(cc1Br)Br 271570a_100020621405_100011484698 [0,2,0,0,0,0|2,0,0]=4 6520 B12R1.69 CCCCc1ccc(cc1Br)C 271570a_100020621405_100009813563 [0,2,0,0,0,0|2,0,0]=4 6521 B12R1.69 CCCCc1ccc(cc1Br)Cl 271570a_100020621405_100011219703 [0,2,0,0,0,0|2,0,0]=4 6522 B12R1.69 CCCCc1ccc(cc1Br)F 271570a_100020621405_100011217111 [0,2,0,0,0,0|2,0,0]=4 6523 B12R1.69 CCCCc1ccc(cc1Br)N 271570a_100020621405_100000750458 [0,2,0,0,0,0|2,0,0]=4 6524 B12R1.69 CCCCc1ccc(cc1Br)O 271570a_100020621405_100000701344 [0,2,0,0,0,0|2,0,0]=4 6525 B12R1.69 CCCCc1ccc(cc1C)Br 271570a_100020621405_100000701812 [0,2,0,0,0,0|2,0,0]=4 6526 B12R1.69 CCCCc1ccc(cc1C)C 271570a_100020621405_100011217332 [0,2,0,0,0,0|2,0,0]=4 6527 B12R1.69 CCCCc1ccc(cc1C)Cl 271570a_100020621405_100011219607 [0,2,0,0,0,0|2,0,0]=4 6528 B12R1.69 CCCCc1ccc(cc1C)F 271570a_100020621405_100011205405 [0,2,0,0,0,0|2,0,0]=4 6529 B12R1.69 CCCCc1ccc(cc1C)N 271570a_100020621405_100000210723 [0,2,0,0,0,0|2,0,0]=4 6530 B12R1.69 CCCCc1ccc(cc1C)O 271570a_100020621405_100000729255 [0,2,0,0,0,0|2,0,0]=4 6531 B12R1.69 CCCCc1ccc(cc1Cl)Br 271570a_100020621405_100011216062 [0,2,0,0,0,0|2,0,0]=4 6532 B12R1.69 CCCCc1ccc(cc1Cl)C 271570a_100020621405_100011263221 [0,2,0,0,0,0|2,0,0]=4 6533 B12R1.69 CCCCc1ccc(cc1Cl)Cl 271570a_100020621405_100000699841 [0,2,0,0,0,0|2,0,0]=4 6534 B12R1.69 CCCCc1ccc(cc1Cl)F 271570a_100020621405_100000733362 [0,2,0,0,0,0|2,0,0]=4 6535 B12R1.69 CCCCc1ccc(cc1Cl)N 271570a_100020621405_100000761885 [0,2,0,0,0,0|2,0,0]=4 6536 B12R1.69 CCCCc1ccc(cc1Cl)O 271570a_100020621405_100000047559 [0,2,0,0,0,0|2,0,0]=4 6537 B12R1.69 CCCCc1ccc(cc1F)Br 271570a_100020621405_100009814013 [0,2,0,0,0,0|2,0,0]=4 6538 B12R1.69 CCCCc1ccc(cc1F)C 271570a_100020621405_100011216119 [0,2,0,0,0,0|2,0,0]=4 6539 B12R1.69 CCCCc1ccc(cc1F)Cl 271570a_100020621405_100011216042 [0,2,0,0,0,0|2,0,0]=4 6540 B12R1.69 CCCCc1ccc(cc1F)F 271570a_100020621405_100000750030 [0,2,0,0,0,0|2,0,0]=4 6541 B12R1.69 CCCCc1ccc(cc1F)N 271570a_100020621405_100011356925 [0,2,0,0,0,0|2,0,0]=4 6542 B12R1.69 CCCCc1ccc(cc1F)O 271570a_100020621405_100000755031 [0,2,0,0,0,0|2,0,0]=4 6543 B12R1.69 CCCCc1ccc(cc1N)Br 271570a_100020621405_100000743836 [0,2,0,0,0,0|2,0,0]=4 6544 B12R1.69 CCCCc1ccc(cc1N)C 271570a_100020621405_100011216686 [0,2,0,0,0,0|2,0,0]=4 6545 B12R1.69 CCCCc1ccc(cc1N)Cl 271570a_100020621405_100000761886 [0,2,0,0,0,0|2,0,0]=4 6546 B12R1.69 CCCCc1ccc(cc1N)F 271570a_100020621405_100011218093 [0,2,0,0,0,0|2,0,0]=4 6547 B12R1.69 CCCCc1ccc(cc1N)N 271570a_100020621405_200012175722 [0,2,0,0,0,0|2,0,0]=4 6548 B12R1.69 CCCCc1ccc(cc1N)O 271570a_100020621405_100011999798 [0,2,0,0,0,0|2,0,0]=4 6549 B12R1.69 CCCCc1ccc(cc1O)Br 271570a_100020621405_100012344904 [0,2,0,0,0,0|2,0,0]=4 6550 B12R1.69 CCCCc1ccc(cc1O)C 271570a_100020621405_100012002257 [0,2,0,0,0,0|2,0,0]=4 6551 B12R1.69 CCCCc1ccc(cc1O)Cl 271570a_100020621405_100000050036 [0,2,0,0,0,0|2,0,0]=4 6552 B12R1.69 CCCCc1ccc(cc1O)F 271570a_100020621405_100000690578 [0,2,0,0,0,0|2,0,0]=4 6553 B12R1.69 CCCCc1ccc(cc1O)O 271570a_100020621405_100009813921 [0,2,0,0,0,0|2,0,0]=4 6554 B12R1.69 CCCNc1ccc(cc1Br)Br 34a_100000211012_100000210303 [0,2,0,0,0,0|2,0,0]=4 6555 B12R1.69 CCCNc1ccc(cc1Br)C 34a_100000210942_100000210303 [0,2,0,0,0,0|2,0,0]=4 6556 B12R1.69 CCCNc1ccc(cc1Br)Cl 34a_100000752454_100000210303 [0,2,0,0,0,0|2,0,0]=4 6557 B12R1.69 CCCNc1ccc(cc1Br)F 34a_100000738039_100000210303 [0,2,0,0,0,0|2,0,0]=4 6558 B12R1.69 CCCNc1ccc(cc1Br)O 34a_100012001276_100000210303 [0,2,0,0,0,0|2,0,0]=4 6559 B12R1.69 CCCNc1ccc(cc1C)Br 34a_100000211769_100000210303 [0,2,0,0,0,0|2,0,0]=4 6560 B12R1.69 CCCNc1ccc(cc1C)Br 7a_100000211769_100000210303 [0,2,0,0,0,0|2,0,0]=4 6561 B12R1.69 CCCNc1ccc(cc1C)C 34a_100000736561_100000210303 [0,2,0,0,0,0|2,0,0]=4 6562 B12R1.69 CCCNc1ccc(cc1C)C 7a_100000736561_100000210303 [0,2,0,0,0,0|2,0,0]=4 6563 B12R1.69 CCCNc1ccc(cc1C)Cl 34a_100000210418_100000210303 [0,2,0,0,0,0|2,0,0]=4 6564 B12R1.69 CCCNc1ccc(cc1C)Cl 7a_100000210418_100000210303 [0,2,0,0,0,0|2,0,0]=4 6565 B12R1.69 CCCNc1ccc(cc1C)F 34a_100000211637_100000210303 [0,2,0,0,0,0|2,0,0]=4 6566 B12R1.69 CCCNc1ccc(cc1C)F 7a_100000211637_100000210303 [0,2,0,0,0,0|2,0,0]=4 6567 B12R1.69 CCCNc1ccc(cc1C)I 34a_100000184554_100000210303 [0,2,0,0,0,0|2,0,0]=4 6568 B12R1.69 CCCNc1ccc(cc1C)I 7a_100000184554_100000210303 [0,2,0,0,0,0|2,0,0]=4 6569 B12R1.69 CCCNc1ccc(cc1C)O 34a_100000756630_100000210303 [0,2,0,0,0,0|2,0,0]=4 6570 B12R1.69 CCCNc1ccc(cc1Cl)Br 34a_100000211467_100000210303 [0,2,0,0,0,0|2,0,0]=4 6571 B12R1.69 CCCNc1ccc(cc1Cl)C 34a_100000210522_100000210303 [0,2,0,0,0,0|2,0,0]=4 6572 B12R1.69 CCCNc1ccc(cc1Cl)Cl 34a_100000185861_100000210303 [0,2,0,0,0,0|2,0,0]=4 6573 B12R1.69 CCCNc1ccc(cc1Cl)F 34a_100000212003_100000210303 [0,2,0,0,0,0|2,0,0]=4 6574 B12R1.69 CCCNc1ccc(cc1Cl)I 34a_100011218065_100000210303 [0,2,0,0,0,0|2,0,0]=4 6575 B12R1.69 CCCNc1ccc(cc1Cl)O 34a_100011215599_100000210303 [0,2,0,0,0,0|2,0,0]=4 6576 B12R1.69 CCCNc1ccc(cc1F)Br 34a_100000210722_100000210303 [0,2,0,0,0,0|2,0,0]=4 6577 B12R1.69 CCCNc1ccc(cc1F)C 34a_100000211023_100000210303 [0,2,0,0,0,0|2,0,0]=4 6578 B12R1.69 CCCNc1ccc(cc1F)Cl 34a_100000211020_100000210303 [0,2,0,0,0,0|2,0,0]=4 6579 B12R1.69 CCCNc1ccc(cc1F)F 34a_100000210720_100000210303 [0,2,0,0,0,0|2,0,0]=4 6580 B12R1.69 CCCNc1ccc(cc1F)I 34a_100011215594_100000210303 [0,2,0,0,0,0|2,0,0]=4 6581 B12R1.69 CCCNc1ccc(cc1F)O 34a_100000759473_100000210303 [0,2,0,0,0,0|2,0,0]=4 6582 B12R1.69 CCCNc1ccc(cc1I)Br 34a_100000187925_100000210303 [0,2,0,0,0,0|2,0,0]=4 6583 B12R1.69 CCCNc1ccc(cc1I)C 34a_100011356834_100000210303 [0,2,0,0,0,0|2,0,0]=4 6584 B12R1.69 CCCNc1ccc(cc1I)Cl 34a_100000761889_100000210303 [0,2,0,0,0,0|2,0,0]=4 6585 B12R1.69 CCCNc1ccc(cc1I)F 34a_100000760547_100000210303 [0,2,0,0,0,0|2,0,0]=4 6586 B12R1.69 CCCNc1ccc(cc1I)O 34a_100010084370_100000210303 [0,2,0,0,0,0|2,0,0]=4 6587 B12R1.69 CCCNc1ccc(cc1O)Br 34a_100000739049_100000210303 [0,2,0,0,0,0|2,0,0]=4 6588 B12R1.69 CCCNc1ccc(cc1O)C 34a_100000211527_100000210303 [0,2,0,0,0,0|2,0,0]=4 6589 B12R1.69 CCCNc1ccc(cc1O)Cl 34a_100000185728_100000210303 [0,2,0,0,0,0|2,0,0]=4 6590 B12R1.69 CCCNc1ccc(cc1O)F 34a_100000753323_100000210303 [0,2,0,0,0,0|2,0,0]=4 6591 B12R1.69 CCCNc1ccc(cc1O)O 34a_100000106777_100000210303 [0,2,0,0,0,0|2,0,0]=4 6592 B12R1.69 CCCOc1ccc(cc1Br)Br 34a_100000188717_100000210303 [0,2,0,0,0,0|1,0,0]=3 6593 B12R1.69 CCCOc1ccc(cc1Br)Br 7a_100000188717_100000210303 [0,2,0,0,0,0|1,0,0]=3 6594 B12R1.69 CCCOc1ccc(cc1Br)C 34a_100000210800_100000210303 [0,2,0,0,0,0|1,0,0]=3 6595 B12R1.69 CCCOc1ccc(cc1Br)C 7a_100000210800_100000210303 [0,2,0,0,0,0|1,0,0]=3 6596 B12R1.69 CCCOc1ccc(cc1Br)Cl 34a_100000211998_100000210303 [0,2,0,0,0,0|1,0,0]=3 6597 B12R1.69 CCCOc1ccc(cc1Br)Cl 7a_100000211998_100000210303 [0,2,0,0,0,0|1,0,0]=3 6598 B12R1.69 CCCOc1ccc(cc1Br)F 34a_100000211999_100000210303 [0,2,0,0,0,0|1,0,0]=3 6599 B12R1.69 CCCOc1ccc(cc1Br)F 7a_100000211999_100000210303 [0,2,0,0,0,0|1,0,0]=3 6600 B12R1.69 CCCOc1ccc(cc1Br)I 34a_100012361655_100000210303 [0,2,0,0,0,0|1,0,0]=3 6601 B12R1.69 CCCOc1ccc(cc1Br)I 7a_100012361655_100000210303 [0,2,0,0,0,0|1,0,0]=3 6602 B12R1.69 CCCOc1ccc(cc1Br)N 34a_100011534360_100000210303 [0,2,0,0,0,0|1,0,0]=3 6603 B12R1.69 CCCOc1ccc(cc1Br)N 7a_100011534360_100000210303 [0,2,0,0,0,0|1,0,0]=3 6604 B12R1.69 CCCOc1ccc(cc1C)Br 34a_100000186361_100000210303 [0,2,0,0,0,0|1,0,0]=3 6605 B12R1.69 CCCOc1ccc(cc1C)Br 7a_100000186361_100000210303 [0,2,0,0,0,0|1,0,0]=3 6606 B12R1.69 CCCOc1ccc(cc1C)C 34a_100000211776_100000210303 [0,2,0,0,0,0|1,0,0]=3 6607 B12R1.69 CCCOc1ccc(cc1C)C 7a_100000211776_100000210303 [0,2,0,0,0,0|1,0,0]=3 6608 B12R1.69 CCCOc1ccc(cc1C)Cl 34a_100000211091_100000210303 [0,2,0,0,0,0|1,0,0]=3 6609 B12R1.69 CCCOc1ccc(cc1C)Cl 7a_100000211091_100000210303 [0,2,0,0,0,0|1,0,0]=3 6610 B12R1.69 CCCOc1ccc(cc1C)F 34a_100000764316_100000210303 [0,2,0,0,0,0|1,0,0]=3 6611 B12R1.69 CCCOc1ccc(cc1C)F 7a_100000764316_100000210303 [0,2,0,0,0,0|1,0,0]=3 6612 B12R1.69 CCCOc1ccc(cc1C)I 34a_100011218673_100000210303 [0,2,0,0,0,0|1,0,0]=3 6613 B12R1.69 CCCOc1ccc(cc1C)I 7a_100011218673_100000210303 [0,2,0,0,0,0|1,0,0]=3 6614 B12R1.69 CCCOc1ccc(cc1C)N 34a_100011218179_100000210303 [0,2,0,0,0,0|1,0,0]=3 6615 B12R1.69 CCCOc1ccc(cc1C)N 7a_100011218179_100000210303 [0,2,0,0,0,0|1,0,0]=3 6616 B12R1.69 CCCOc1ccc(cc1Cl)Br 34a_100000186472_100000210303 [0,2,0,0,0,0|1,0,0]=3 6617 B12R1.69 CCCOc1ccc(cc1Cl)Br 7a_100000186472_100000210303 [0,2,0,0,0,0|1,0,0]=3 6618 B12R1.69 CCCOc1ccc(cc1Cl)C 34a_100000749699_100000210303 [0,2,0,0,0,0|1,0,0]=3 6619 B12R1.69 CCCOc1ccc(cc1Cl)C 7a_100000749699_100000210303 [0,2,0,0,0,0|1,0,0]=3 6620 B12R1.69 CCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000210303 [0,2,0,0,0,0|1,0,0]=3 6621 B12R1.69 CCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000210303 [0,2,0,0,0,0|1,0,0]=3 6622 B12R1.69 CCCOc1ccc(cc1Cl)F 34a_100000212004_100000210303 [0,2,0,0,0,0|1,0,0]=3 6623 B12R1.69 CCCOc1ccc(cc1Cl)F 7a_100000212004_100000210303 [0,2,0,0,0,0|1,0,0]=3 6624 B12R1.69 CCCOc1ccc(cc1Cl)I 34a_100012360047_100000210303 [0,2,0,0,0,0|1,0,0]=3 6625 B12R1.69 CCCOc1ccc(cc1Cl)I 7a_100012360047_100000210303 [0,2,0,0,0,0|1,0,0]=3 6626 B12R1.69 CCCOc1ccc(cc1Cl)N 34a_100000744943_100000210303 [0,2,0,0,0,0|1,0,0]=3 6627 B12R1.69 CCCOc1ccc(cc1Cl)N 7a_100000744943_100000210303 [0,2,0,0,0,0|1,0,0]=3 6628 B12R1.69 CCCOc1ccc(cc1F)Br 34a_100000185481_100000210303 [0,2,0,0,0,0|1,0,0]=3 6629 B12R1.69 CCCOc1ccc(cc1F)Br 7a_100000185481_100000210303 [0,2,0,0,0,0|1,0,0]=3 6630 B12R1.69 CCCOc1ccc(cc1F)C 34a_100011216688_100000210303 [0,2,0,0,0,0|1,0,0]=3 6631 B12R1.69 CCCOc1ccc(cc1F)C 7a_100011216688_100000210303 [0,2,0,0,0,0|1,0,0]=3 6632 B12R1.69 CCCOc1ccc(cc1F)Cl 34a_100000230166_100000210303 [0,2,0,0,0,0|1,0,0]=3 6633 B12R1.69 CCCOc1ccc(cc1F)Cl 7a_100000230166_100000210303 [0,2,0,0,0,0|1,0,0]=3 6634 B12R1.69 CCCOc1ccc(cc1F)F 34a_100000230127_100000210303 [0,2,0,0,0,0|1,0,0]=3 6635 B12R1.69 CCCOc1ccc(cc1F)F 7a_100000230127_100000210303 [0,2,0,0,0,0|1,0,0]=3 6636 B12R1.69 CCCOc1ccc(cc1F)I 34a_100011356965_100000210303 [0,2,0,0,0,0|1,0,0]=3 6637 B12R1.69 CCCOc1ccc(cc1F)I 7a_100011356965_100000210303 [0,2,0,0,0,0|1,0,0]=3 6638 B12R1.69 CCCOc1ccc(cc1F)N 34a_100011220035_100000210303 [0,2,0,0,0,0|1,0,0]=3 6639 B12R1.69 CCCOc1ccc(cc1F)N 7a_100011220035_100000210303 [0,2,0,0,0,0|1,0,0]=3 6640 B12R1.69 CCCOc1ccc(cc1I)Br 34a_100012355227_100000210303 [0,2,0,0,0,0|1,0,0]=3 6641 B12R1.69 CCCOc1ccc(cc1I)Br 7a_100012355227_100000210303 [0,2,0,0,0,0|1,0,0]=3 6642 B12R1.69 CCCOc1ccc(cc1I)C 34a_100000765521_100000210303 [0,2,0,0,0,0|1,0,0]=3 6643 B12R1.69 CCCOc1ccc(cc1I)C 7a_100000765521_100000210303 [0,2,0,0,0,0|1,0,0]=3 6644 B12R1.69 CCCOc1ccc(cc1I)Cl 34a_100011356953_100000210303 [0,2,0,0,0,0|1,0,0]=3 6645 B12R1.69 CCCOc1ccc(cc1I)Cl 7a_100011356953_100000210303 [0,2,0,0,0,0|1,0,0]=3 6646 B12R1.69 CCCOc1ccc(cc1I)F 34a_100012355409_100000210303 [0,2,0,0,0,0|1,0,0]=3 6647 B12R1.69 CCCOc1ccc(cc1I)F 7a_100012355409_100000210303 [0,2,0,0,0,0|1,0,0]=3 6648 B12R1.69 CCCOc1ccc(cc1I)I 7a_100010001573_100000210303 [0,2,0,0,0,0|1,0,0]=3 6649 B12R1.69 CCCOc1ccc(cc1N)Br 34a_100000752626_100000210303 [0,2,0,0,0,0|1,0,0]=3 6650 B12R1.69 CCCOc1ccc(cc1N)Br 7a_100000752626_100000210303 [0,2,0,0,0,0|1,0,0]=3 6651 B12R1.69 CCCOc1ccc(cc1N)C 34a_100011215204_100000210303 [0,2,0,0,0,0|1,0,0]=3 6652 B12R1.69 CCCOc1ccc(cc1N)C 7a_100011215204_100000210303 [0,2,0,0,0,0|1,0,0]=3 6653 B12R1.69 CCCOc1ccc(cc1N)Cl 34a_100000210500_100000210303 [0,2,0,0,0,0|1,0,0]=3 6654 B12R1.69 CCCOc1ccc(cc1N)Cl 7a_100000210500_100000210303 [0,2,0,0,0,0|1,0,0]=3 6655 B12R1.69 CCCOc1ccc(cc1N)F 34a_100000759472_100000210303 [0,2,0,0,0,0|1,0,0]=3 6656 B12R1.69 CCCOc1ccc(cc1N)F 7a_100000759472_100000210303 [0,2,0,0,0,0|1,0,0]=3 6657 B12R1.69 CCCOc1ccc(cc1N)I 34a_100000753495_100000210303 [0,2,0,0,0,0|1,0,0]=3 6658 B12R1.69 CCCOc1ccc(cc1N)I 7a_100000753495_100000210303 [0,2,0,0,0,0|1,0,0]=3 6659 B12R1.69 CCCOc1ccc(cc1N)N 34a_100000725306_100000210303 [0,2,0,0,0,0|1,0,0]=3 6660 B12R1.69 CCCOc1ccc(cc1O)F 271570a_203496583355_200000171698 [0,2,0,0,0,0|1,0,0]=3 6661 B12R1.69 CCCOc1ccc(nc1Br)Br 34a_100009999766_100000210303 [0,2,0,0,0,0|2,0,0]=4 6662 B12R1.69 CCCOc1ccc(nc1Br)Br 7a_100009999766_100000210303 [0,2,0,0,0,0|2,0,0]=4 6663 B12R1.69 CCCOc1ccc(nc1Br)C 34a_100000702858_100000210303 [0,2,0,0,0,0|2,0,0]=4 6664 B12R1.69 CCCOc1ccc(nc1Br)C 7a_100000702858_100000210303 [0,2,0,0,0,0|2,0,0]=4 6665 B12R1.69 CCCOc1ccc(nc1Br)Cl 34a_100010219353_100000210303 [0,2,0,0,0,0|2,0,0]=4 6666 B12R1.69 CCCOc1ccc(nc1Br)Cl 7a_100010219353_100000210303 [0,2,0,0,0,0|2,0,0]=4 6667 B12R1.69 CCCOc1ccc(nc1Br)F 34a_100009887730_100000210303 [0,2,0,0,0,0|2,0,0]=4 6668 B12R1.69 CCCOc1ccc(nc1Br)F 7a_100009887730_100000210303 [0,2,0,0,0,0|2,0,0]=4 6669 B12R1.69 CCCOc1ccc(nc1Br)I 34a_100000725334_100000210303 [0,2,0,0,0,0|2,0,0]=4 6670 B12R1.69 CCCOc1ccc(nc1Br)I 7a_100000725334_100000210303 [0,2,0,0,0,0|2,0,0]=4 6671 B12R1.69 CCCOc1ccc(nc1C)Br 34a_100012002022_100000210303 [0,2,0,0,0,0|2,0,0]=4 6672 B12R1.69 CCCOc1ccc(nc1C)Br 7a_100012002022_100000210303 [0,2,0,0,0,0|2,0,0]=4 6673 B12R1.69 CCCOc1ccc(nc1C)C 34a_100011218912_100000210303 [0,2,0,0,0,0|2,0,0]=4 6674 B12R1.69 CCCOc1ccc(nc1C)C 7a_100011218912_100000210303 [0,2,0,0,0,0|2,0,0]=4 6675 B12R1.69 CCCOc1ccc(nc1C)Cl 34a_100012184626_100000210303 [0,2,0,0,0,0|2,0,0]=4 6676 B12R1.69 CCCOc1ccc(nc1C)Cl 7a_100012184626_100000210303 [0,2,0,0,0,0|2,0,0]=4 6677 B12R1.69 CCCOc1ccc(nc1C)F 34a_100009881036_100000210303 [0,2,0,0,0,0|2,0,0]=4 6678 B12R1.69 CCCOc1ccc(nc1C)F 7a_100009881036_100000210303 [0,2,0,0,0,0|2,0,0]=4 6679 B12R1.69 CCCOc1ccc(nc1C)I 34a_100010233687_100000210303 [0,2,0,0,0,0|2,0,0]=4 6680 B12R1.69 CCCOc1ccc(nc1C)I 7a_100010233687_100000210303 [0,2,0,0,0,0|2,0,0]=4 6681 B12R1.69 CCCOc1ccc(nc1Cl)Br 34a_100010246206_100000210303 [0,2,0,0,0,0|2,0,0]=4 6682 B12R1.69 CCCOc1ccc(nc1Cl)Br 7a_100010246206_100000210303 [0,2,0,0,0,0|2,0,0]=4 6683 B12R1.69 CCCOc1ccc(nc1Cl)C 34a_100000086286_100000210303 [0,2,0,0,0,0|2,0,0]=4 6684 B12R1.69 CCCOc1ccc(nc1Cl)C 7a_100000086286_100000210303 [0,2,0,0,0,0|2,0,0]=4 6685 B12R1.69 CCCOc1ccc(nc1Cl)Cl 34a_100000101165_100000210303 [0,2,0,0,0,0|2,0,0]=4 6686 B12R1.69 CCCOc1ccc(nc1Cl)Cl 7a_100000101165_100000210303 [0,2,0,0,0,0|2,0,0]=4 6687 B12R1.69 CCCOc1ccc(nc1Cl)I 34a_100000721234_100000210303 [0,2,0,0,0,0|2,0,0]=4 6688 B12R1.69 CCCOc1ccc(nc1Cl)I 7a_100000721234_100000210303 [0,2,0,0,0,0|2,0,0]=4 6689 B12R1.69 CCCOc1ccc(nc1F)Br 34a_100009819667_100000210303 [0,2,0,0,0,0|2,0,0]=4 6690 B12R1.69 CCCOc1ccc(nc1F)Br 7a_100009819667_100000210303 [0,2,0,0,0,0|2,0,0]=4 6691 B12R1.69 CCCOc1ccc(nc1F)C 34a_100000079963_100000210303 [0,2,0,0,0,0|2,0,0]=4 6692 B12R1.69 CCCOc1ccc(nc1F)C 7a_100000079963_100000210303 [0,2,0,0,0,0|2,0,0]=4 6693 B12R1.69 CCCOc1ccc(nc1F)Cl 34a_100009880201_100000210303 [0,2,0,0,0,0|2,0,0]=4 6694 B12R1.69 CCCOc1ccc(nc1F)Cl 7a_100009880201_100000210303 [0,2,0,0,0,0|2,0,0]=4 6695 B12R1.69 CCCOc1ccc(nc1F)F 34a_100000101184_100000210303 [0,2,0,0,0,0|2,0,0]=4 6696 B12R1.69 CCCOc1ccc(nc1F)F 7a_100000101184_100000210303 [0,2,0,0,0,0|2,0,0]=4 6697 B12R1.69 CCCOc1ccc(nc1I)Br 34a_100010253912_100000210303 [0,2,0,0,0,0|2,0,0]=4 6698 B12R1.69 CCCOc1ccc(nc1I)Br 7a_100010253912_100000210303 [0,2,0,0,0,0|2,0,0]=4 6699 B12R1.69 CCCOc1ccc(nc1I)C 34a_100000023897_100000210303 [0,2,0,0,0,0|2,0,0]=4 6700 B12R1.69 CCCOc1ccc(nc1I)C 7a_100000023897_100000210303 [0,2,0,0,0,0|2,0,0]=4 6701 B12R1.69 CCCOc1ccc(nc1I)Cl 34a_100000696390_100000210303 [0,2,0,0,0,0|2,0,0]=4 6702 B12R1.69 CCCOc1ccc(nc1I)Cl 7a_100000696390_100000210303 [0,2,0,0,0,0|2,0,0]=4 6703 B12R1.69 CCCOc1ccc(nc1I)F 34a_100010382442_100000210303 [0,2,0,0,0,0|2,0,0]=4 6704 B12R1.69 CCCOc1ccc(nc1I)F 7a_100010382442_100000210303 [0,2,0,0,0,0|2,0,0]=4 6705 B12R1.69 CCCOc1ccc(nc1N)Br 34a_100000685527_100000210303 [0,2,0,0,0,0|2,0,0]=4 6706 B12R1.69 CCCOc1ccc(nc1N)Br 7a_100000685527_100000210303 [0,2,0,0,0,0|2,0,0]=4 6707 B12R1.69 CCCOc1ccc(nc1N)C 34a_100000694039_100000210303 [0,2,0,0,0,0|2,0,0]=4 6708 B12R1.69 CCCOc1ccc(nc1N)C 7a_100000694039_100000210303 [0,2,0,0,0,0|2,0,0]=4 6709 B12R1.69 CCCOc1ccc(nc1N)Cl 34a_100000717809_100000210303 [0,2,0,0,0,0|2,0,0]=4 6710 B12R1.69 CCCOc1ccc(nc1N)Cl 7a_100000717809_100000210303 [0,2,0,0,0,0|2,0,0]=4 6711 B12R1.69 CCCOc1cnc(cc1Br)C 34a_100009843476_100000210303 [0,2,0,0,0,0|2,0,0]=4 6712 B12R1.69 CCCOc1cnc(cc1Br)C 7a_100009843476_100000210303 [0,2,0,0,0,0|2,0,0]=4 6713 B12R1.69 CCCOc1cnc(cc1C)C 34a_200000068632_100000210303 [0,2,0,0,0,0|2,0,0]=4 6714 B12R1.69 CCCOc1cnc(cc1C)C 7a_200000068632_100000210303 [0,2,0,0,0,0|2,0,0]=4 6715 B12R1.69 CCCOc1cnc(cc1C)Cl 34a_100000692680_100000210303 [0,2,0,0,0,0|2,0,0]=4 6716 B12R1.69 CCCOc1cnc(cc1C)Cl 7a_100000692680_100000210303 [0,2,0,0,0,0|2,0,0]=4 6717 B12R1.69 CCCOc1cnc(cc1C)F 34a_100009856773_100000210303 [0,2,0,0,0,0|2,0,0]=4 6718 B12R1.69 CCCOc1cnc(cc1C)F 7a_100009856773_100000210303 [0,2,0,0,0,0|2,0,0]=4 6719 B12R1.69 CCCOc1cnc(cc1Cl)Cl 34a_100009868576_100000210303 [0,2,0,0,0,0|2,0,0]=4 6720 B12R1.69 CCCOc1cnc(cc1Cl)Cl 7a_100009868576_100000210303 [0,2,0,0,0,0|2,0,0]=4 6721 B12R1.69 CCCOc1cnc(cc1F)F 34a_100009885687_100000210303 [0,2,0,0,0,0|2,0,0]=4 6722 B12R1.69 CCCOc1cnc(cc1F)F 7a_100009885687_100000210303 [0,2,0,0,0,0|2,0,0]=4 6723 B12R1.69 CCCOc1cnc(cc1I)Cl 34a_100000698892_100000210303 [0,2,0,0,0,0|2,0,0]=4 6724 B12R1.69 CCCOc1cnc(cc1I)Cl 7a_100000698892_100000210303 [0,2,0,0,0,0|2,0,0]=4 6725 B12R1.69 CCCOc1cnc(cc1N)Br 34a_100009819941_100000210303 [0,2,0,0,0,0|2,0,0]=4 6726 B12R1.69 CCCOc1cnc(cc1N)Br 7a_100009819941_100000210303 [0,2,0,0,0,0|2,0,0]=4 6727 B12R1.69 CCCOc1coc(cc1=O)C 34a_100000081520_100000210303 [0,2,0,0,0,0|2,0,0]=4 6728 B12R1.69 CCCOc1ncc(cc1Br)Br 34a_100000701035_100000210303 [0,2,0,0,0,0|2,0,0]=4 6729 B12R1.69 CCCOc1ncc(cc1Br)C 34a_100000719714_100000210303 [0,2,0,0,0,0|2,0,0]=4 6730 B12R1.69 CCCOc1ncc(cc1C)Br 34a_100000685391_100000210303 [0,2,0,0,0,0|2,0,0]=4 6731 B12R1.69 CCCOc1ncc(cc1C)O 271570a_203496583355_200012348856 [0,2,0,0,0,0|2,0,0]=4 6732 B12R1.69 CCCOc1ncc(cc1Cl)Br 34a_100012339560_100000210303 [0,2,0,0,0,0|2,0,0]=4 6733 B12R1.69 CCCOc1ncc(cc1Cl)F 34a_100009847679_100000210303 [0,2,0,0,0,0|2,0,0]=4 6734 B12R1.69 CCCOc1ncc(cc1F)Cl 34a_100011998252_100000210303 [0,2,0,0,0,0|2,0,0]=4 6735 B12R1.69 CCCOc1ncc(cc1F)F 34a_100012025737_100000210303 [0,2,0,0,0,0|2,0,0]=4 6736 B12R1.69 CCCOc1ncc(cc1N)Br 34a_100000743729_100000210303 [0,2,0,0,0,0|2,0,0]=4 6737 B12R1.69 CCCOc1ncc(cc1N)C 34a_100012000488_100000210303 [0,2,0,0,0,0|2,0,0]=4 6738 B12R1.69 CCCOc1ncc(cc1N)Cl 34a_100011998249_100000210303 [0,2,0,0,0,0|2,0,0]=4 6739 B12R1.69 CCCOc1ncc(cc1O)C 271570a_203496583355_100013847041 [0,2,0,0,0,0|2,0,0]=4 6740 B12R1.69 CCCSc1ccc(cc1Br)Br 62a_100000210303_100011484698 [0,2,0,0,0,0|1,1,0]=4 6741 B12R1.69 CCCSc1ccc(cc1Br)Br 62a_100011484698_100000210303 [0,2,0,0,0,0|1,1,0]=4 6742 B12R1.69 CCCSc1ccc(cc1Br)C 62a_100000210303_100009813563 [0,2,0,0,0,0|1,1,0]=4 6743 B12R1.69 CCCSc1ccc(cc1Br)C 62a_100009813563_100000210303 [0,2,0,0,0,0|1,1,0]=4 6744 B12R1.69 CCCSc1ccc(cc1Br)Cl 62a_100000210303_100011219703 [0,2,0,0,0,0|1,1,0]=4 6745 B12R1.69 CCCSc1ccc(cc1Br)Cl 62a_100011219703_100000210303 [0,2,0,0,0,0|1,1,0]=4 6746 B12R1.69 CCCSc1ccc(cc1Br)F 62a_100000210303_100011217111 [0,2,0,0,0,0|1,1,0]=4 6747 B12R1.69 CCCSc1ccc(cc1Br)F 62a_100011217111_100000210303 [0,2,0,0,0,0|1,1,0]=4 6748 B12R1.69 CCCSc1ccc(cc1Br)N 62a_100000210303_100000750458 [0,2,0,0,0,0|1,1,0]=4 6749 B12R1.69 CCCSc1ccc(cc1Br)N 62a_100000750458_100000210303 [0,2,0,0,0,0|1,1,0]=4 6750 B12R1.69 CCCSc1ccc(cc1Br)O 62a_100000210303_100000701344 [0,2,0,0,0,0|1,1,0]=4 6751 B12R1.69 CCCSc1ccc(cc1Br)O 62a_100000701344_100000210303 [0,2,0,0,0,0|1,1,0]=4 6752 B12R1.69 CCCSc1ccc(cc1C)Br 62a_100000210303_100000701812 [0,2,0,0,0,0|1,1,0]=4 6753 B12R1.69 CCCSc1ccc(cc1C)Br 62a_100000701812_100000210303 [0,2,0,0,0,0|1,1,0]=4 6754 B12R1.69 CCCSc1ccc(cc1C)C 62a_100000210303_100011217332 [0,2,0,0,0,0|1,1,0]=4 6755 B12R1.69 CCCSc1ccc(cc1C)C 62a_100011217332_100000210303 [0,2,0,0,0,0|1,1,0]=4 6756 B12R1.69 CCCSc1ccc(cc1C)Cl 62a_100000210303_100011219607 [0,2,0,0,0,0|1,1,0]=4 6757 B12R1.69 CCCSc1ccc(cc1C)Cl 62a_100011219607_100000210303 [0,2,0,0,0,0|1,1,0]=4 6758 B12R1.69 CCCSc1ccc(cc1C)F 62a_100000210303_100011205405 [0,2,0,0,0,0|1,1,0]=4 6759 B12R1.69 CCCSc1ccc(cc1C)F 62a_100011205405_100000210303 [0,2,0,0,0,0|1,1,0]=4 6760 B12R1.69 CCCSc1ccc(cc1C)N 62a_100000210303_100000210723 [0,2,0,0,0,0|1,1,0]=4 6761 B12R1.69 CCCSc1ccc(cc1C)N 62a_100000210723_100000210303 [0,2,0,0,0,0|1,1,0]=4 6762 B12R1.69 CCCSc1ccc(cc1C)O 62a_100000210303_100000690111 [0,2,0,0,0,0|1,1,0]=4 6763 B12R1.69 CCCSc1ccc(cc1Cl)Br 62a_100000210303_100011216062 [0,2,0,0,0,0|1,1,0]=4 6764 B12R1.69 CCCSc1ccc(cc1Cl)Br 62a_100011216062_100000210303 [0,2,0,0,0,0|1,1,0]=4 6765 B12R1.69 CCCSc1ccc(cc1Cl)C 62a_100000210303_100011263221 [0,2,0,0,0,0|1,1,0]=4 6766 B12R1.69 CCCSc1ccc(cc1Cl)C 62a_100011263221_100000210303 [0,2,0,0,0,0|1,1,0]=4 6767 B12R1.69 CCCSc1ccc(cc1Cl)Cl 62a_100000210303_100000699841 [0,2,0,0,0,0|1,1,0]=4 6768 B12R1.69 CCCSc1ccc(cc1Cl)Cl 62a_100000699841_100000210303 [0,2,0,0,0,0|1,1,0]=4 6769 B12R1.69 CCCSc1ccc(cc1Cl)F 62a_100000210303_100000733362 [0,2,0,0,0,0|1,1,0]=4 6770 B12R1.69 CCCSc1ccc(cc1Cl)F 62a_100000733362_100000210303 [0,2,0,0,0,0|1,1,0]=4 6771 B12R1.69 CCCSc1ccc(cc1Cl)N 62a_100000210303_100000761885 [0,2,0,0,0,0|1,1,0]=4 6772 B12R1.69 CCCSc1ccc(cc1Cl)N 62a_100000761885_100000210303 [0,2,0,0,0,0|1,1,0]=4 6773 B12R1.69 CCCSc1ccc(cc1Cl)O 62a_100000047559_100000210303 [0,2,0,0,0,0|1,1,0]=4 6774 B12R1.69 CCCSc1ccc(cc1Cl)O 62a_100000210303_100000047559 [0,2,0,0,0,0|1,1,0]=4 6775 B12R1.69 CCCSc1ccc(cc1F)Br 62a_100000210303_100009814013 [0,2,0,0,0,0|1,1,0]=4 6776 B12R1.69 CCCSc1ccc(cc1F)Br 62a_100009814013_100000210303 [0,2,0,0,0,0|1,1,0]=4 6777 B12R1.69 CCCSc1ccc(cc1F)C 62a_100000210303_100011216119 [0,2,0,0,0,0|1,1,0]=4 6778 B12R1.69 CCCSc1ccc(cc1F)C 62a_100011216119_100000210303 [0,2,0,0,0,0|1,1,0]=4 6779 B12R1.69 CCCSc1ccc(cc1F)Cl 62a_100000210303_100011216042 [0,2,0,0,0,0|1,1,0]=4 6780 B12R1.69 CCCSc1ccc(cc1F)Cl 62a_100011216042_100000210303 [0,2,0,0,0,0|1,1,0]=4 6781 B12R1.69 CCCSc1ccc(cc1F)F 62a_100000210303_100000750030 [0,2,0,0,0,0|1,1,0]=4 6782 B12R1.69 CCCSc1ccc(cc1F)F 62a_100000750030_100000210303 [0,2,0,0,0,0|1,1,0]=4 6783 B12R1.69 CCCSc1ccc(cc1F)N 62a_100000210303_100011356925 [0,2,0,0,0,0|1,1,0]=4 6784 B12R1.69 CCCSc1ccc(cc1F)N 62a_100011356925_100000210303 [0,2,0,0,0,0|1,1,0]=4 6785 B12R1.69 CCCSc1ccc(cc1F)O 62a_100000210303_100000755031 [0,2,0,0,0,0|1,1,0]=4 6786 B12R1.69 CCCSc1ccc(cc1F)O 62a_100000755031_100000210303 [0,2,0,0,0,0|1,1,0]=4 6787 B12R1.69 CCCSc1ccc(cc1N)Br 62a_100000210303_100000743836 [0,2,0,0,0,0|1,1,0]=4 6788 B12R1.69 CCCSc1ccc(cc1N)Br 62a_100000743836_100000210303 [0,2,0,0,0,0|1,1,0]=4 6789 B12R1.69 CCCSc1ccc(cc1N)C 62a_100000210303_100011216686 [0,2,0,0,0,0|1,1,0]=4 6790 B12R1.69 CCCSc1ccc(cc1N)C 62a_100011216686_100000210303 [0,2,0,0,0,0|1,1,0]=4 6791 B12R1.69 CCCSc1ccc(cc1N)Cl 62a_100000210303_100000761886 [0,2,0,0,0,0|1,1,0]=4 6792 B12R1.69 CCCSc1ccc(cc1N)Cl 62a_100000761886_100000210303 [0,2,0,0,0,0|1,1,0]=4 6793 B12R1.69 CCCSc1ccc(cc1N)F 62a_100000210303_100000687223 [0,2,0,0,0,0|1,1,0]=4 6794 B12R1.69 CCCSc1ccc(cc1N)F 62a_100000687223_100000210303 [0,2,0,0,0,0|1,1,0]=4 6795 B12R1.69 CCCSc1ccc(cc1N)N 62a_100000210303_200012175722 [0,2,0,0,0,0|1,1,0]=4 6796 B12R1.69 CCCSc1ccc(cc1N)N 62a_200012175722_100000210303 [0,2,0,0,0,0|1,1,0]=4 6797 B12R1.69 CCCSc1ccc(cc1N)O 62a_100000210303_100011999798 [0,2,0,0,0,0|1,1,0]=4 6798 B12R1.69 CCCSc1ccc(cc1N)O 62a_100011999798_100000210303 [0,2,0,0,0,0|1,1,0]=4 6799 B12R1.69 CCCSc1ccc(cc1O)Br 62a_100000210303_100012344904 [0,2,0,0,0,0|1,1,0]=4 6800 B12R1.69 CCCSc1ccc(cc1O)Br 62a_100012344904_100000210303 [0,2,0,0,0,0|1,1,0]=4 6801 B12R1.69 CCCSc1ccc(cc1O)C 62a_100000210303_100012002257 [0,2,0,0,0,0|1,1,0]=4 6802 B12R1.69 CCCSc1ccc(cc1O)C 62a_100012002257_100000210303 [0,2,0,0,0,0|1,1,0]=4 6803 B12R1.69 CCCSc1ccc(cc1O)Cl 62a_100000050036_100000210303 [0,2,0,0,0,0|1,1,0]=4 6804 B12R1.69 CCCSc1ccc(cc1O)Cl 62a_100000210303_100000050036 [0,2,0,0,0,0|1,1,0]=4 6805 B12R1.69 CCCSc1ccc(cc1O)F 62a_100000210303_100000690578 [0,2,0,0,0,0|1,1,0]=4 6806 B12R1.69 CCCSc1ccc(cc1O)F 62a_100000690578_100000210303 [0,2,0,0,0,0|1,1,0]=4 6807 B12R1.69 CCCSc1ccc(cc1O)O 62a_100000210303_100009813921 [0,2,0,0,0,0|1,1,0]=4 6808 B12R1.69 COCOc1ccc(cc1F)O 271570a_203496583355_100009812708 [0,2,0,0,0,0|2,0,0]=4 6809 B12R1.69 COCOc1ccc(cc1O)C 271570a_203496583355_100012265689 [0,2,0,0,0,0|2,0,0]=4 6810 B12R1.69 CSCOc1ccc(cc1Br)Br 34a_100000188717_100011218213 [0,2,0,0,0,0|2,0,0]=4 6811 B12R1.69 CSCOc1ccc(cc1Br)C 34a_100000210800_100011218213 [0,2,0,0,0,0|2,0,0]=4 6812 B12R1.69 CSCOc1ccc(cc1Br)Cl 34a_100000211998_100011218213 [0,2,0,0,0,0|2,0,0]=4 6813 B12R1.69 CSCOc1ccc(cc1Br)F 34a_100000211999_100011218213 [0,2,0,0,0,0|2,0,0]=4 6814 B12R1.69 CSCOc1ccc(cc1Br)I 34a_100012361655_100011218213 [0,2,0,0,0,0|2,0,0]=4 6815 B12R1.69 CSCOc1ccc(cc1Br)N 34a_100011534360_100011218213 [0,2,0,0,0,0|2,0,0]=4 6816 B12R1.69 CSCOc1ccc(cc1C)Br 34a_100000186361_100011218213 [0,2,0,0,0,0|2,0,0]=4 6817 B12R1.69 CSCOc1ccc(cc1C)C 34a_100000211776_100011218213 [0,2,0,0,0,0|2,0,0]=4 6818 B12R1.69 CSCOc1ccc(cc1C)Cl 34a_100000211091_100011218213 [0,2,0,0,0,0|2,0,0]=4 6819 B12R1.69 CSCOc1ccc(cc1C)F 34a_100000764316_100011218213 [0,2,0,0,0,0|2,0,0]=4 6820 B12R1.69 CSCOc1ccc(cc1C)I 34a_100011218673_100011218213 [0,2,0,0,0,0|2,0,0]=4 6821 B12R1.69 CSCOc1ccc(cc1C)N 34a_100011218179_100011218213 [0,2,0,0,0,0|2,0,0]=4 6822 B12R1.69 CSCOc1ccc(cc1Cl)Br 34a_100000186472_100011218213 [0,2,0,0,0,0|2,0,0]=4 6823 B12R1.69 CSCOc1ccc(cc1Cl)C 34a_100000749699_100011218213 [0,2,0,0,0,0|2,0,0]=4 6824 B12R1.69 CSCOc1ccc(cc1Cl)Cl 34a_100015191787_100011218213 [0,2,0,0,0,0|2,0,0]=4 6825 B12R1.69 CSCOc1ccc(cc1Cl)F 34a_100000212004_100011218213 [0,2,0,0,0,0|2,0,0]=4 6826 B12R1.69 CSCOc1ccc(cc1Cl)I 34a_100012360047_100011218213 [0,2,0,0,0,0|2,0,0]=4 6827 B12R1.69 CSCOc1ccc(cc1Cl)N 34a_100000744943_100011218213 [0,2,0,0,0,0|2,0,0]=4 6828 B12R1.69 CSCOc1ccc(cc1F)Br 34a_100000185481_100011218213 [0,2,0,0,0,0|2,0,0]=4 6829 B12R1.69 CSCOc1ccc(cc1F)C 34a_100011216688_100011218213 [0,2,0,0,0,0|2,0,0]=4 6830 B12R1.69 CSCOc1ccc(cc1F)Cl 34a_100000230166_100011218213 [0,2,0,0,0,0|2,0,0]=4 6831 B12R1.69 CSCOc1ccc(cc1F)F 34a_100000230127_100011218213 [0,2,0,0,0,0|2,0,0]=4 6832 B12R1.69 CSCOc1ccc(cc1F)I 34a_100011356965_100011218213 [0,2,0,0,0,0|2,0,0]=4 6833 B12R1.69 CSCOc1ccc(cc1F)N 34a_100011220035_100011218213 [0,2,0,0,0,0|2,0,0]=4 6834 B12R1.69 CSCOc1ccc(cc1I)Br 34a_100012355227_100011218213 [0,2,0,0,0,0|2,0,0]=4 6835 B12R1.69 CSCOc1ccc(cc1I)C 34a_100000765521_100011218213 [0,2,0,0,0,0|2,0,0]=4 6836 B12R1.69 CSCOc1ccc(cc1I)Cl 34a_100011356953_100011218213 [0,2,0,0,0,0|2,0,0]=4 6837 B12R1.69 CSCOc1ccc(cc1I)F 34a_100012355409_100011218213 [0,2,0,0,0,0|2,0,0]=4 6838 B12R1.69 CSCOc1ccc(cc1N)Br 34a_100000752626_100011218213 [0,2,0,0,0,0|2,0,0]=4 6839 B12R1.69 CSCOc1ccc(cc1N)C 34a_100011215204_100011218213 [0,2,0,0,0,0|2,0,0]=4 6840 B12R1.69 CSCOc1ccc(cc1N)Cl 34a_100000210500_100011218213 [0,2,0,0,0,0|2,0,0]=4 6841 B12R1.69 CSCOc1ccc(cc1N)F 34a_100000759472_100011218213 [0,2,0,0,0,0|2,0,0]=4 6842 B12R1.69 CSCOc1ccc(cc1N)I 34a_100000753495_100011218213 [0,2,0,0,0,0|2,0,0]=4 6843 B12R1.69 CSCOc1ccc(cc1N)N 34a_100000725306_100011218213 [0,2,0,0,0,0|2,0,0]=4 6844 B12R1.69 Cc1c[n+](ccc1SCCO)[O-] 62a_100000211926_100000074940 [0,2,0,0,0,0|1,1,0]=4 6845 B12R1.69 Cc1cc(=O)c(co1)OCCF 34a_100000081520_100011217306 [0,2,0,0,0,0|2,0,0]=4 6846 B12R1.69 Cc1cc(=O)c(co1)OCCO 34a_100000081520_100000211926 [0,2,0,0,0,0|1,0,0]=3 6847 B12R1.69 Cc1cc(c(cn1)OCCF)Br 34a_100009843476_100011217306 [0,2,0,0,0,0|2,0,0]=4 6848 B12R1.69 Cc1cc(c(cn1)OCCF)Br 7a_100009843476_100011217306 [0,2,0,0,0,0|2,0,0]=4 6849 B12R1.69 Cc1cc(c(cn1)OCCF)C 34a_200000068632_100011217306 [0,2,0,0,0,0|2,0,0]=4 6850 B12R1.69 Cc1cc(c(cn1)OCCF)C 7a_200000068632_100011217306 [0,2,0,0,0,0|2,0,0]=4 6851 B12R1.69 Cc1cc(c(cn1)OCCO)Br 34a_100009843476_100000211926 [0,2,0,0,0,0|1,0,0]=3 6852 B12R1.69 Cc1cc(c(cn1)OCCO)Br 7a_100009843476_100000211926 [0,2,0,0,0,0|1,0,0]=3 6853 B12R1.69 Cc1cc(c(cn1)OCCO)C 34a_200000068632_100000211926 [0,2,0,0,0,0|1,0,0]=3 6854 B12R1.69 Cc1cc(c(cn1)OCCO)C 7a_200000068632_100000211926 [0,2,0,0,0,0|1,0,0]=3 6855 B12R1.69 Cc1cc(c(cn1)SCCO)C 62a_100000211926_100009819613 [0,2,0,0,0,0|1,1,0]=4 6856 B12R1.69 Cc1cc(c(cn1)SCCO)C 62a_100009819613_100000211926 [0,2,0,0,0,0|1,1,0]=4 6857 B12R1.69 Cc1cc(c(cn1)SCCO)N 62a_100000211926_100009817891 [0,2,0,0,0,0|1,1,0]=4 6858 B12R1.69 Cc1cc(c(cn1)SCCO)N 62a_100009817891_100000211926 [0,2,0,0,0,0|1,1,0]=4 6859 B12R1.69 Cc1cc(c(cn1)SCCO)O 62a_100000211926_100011016184 [0,2,0,0,0,0|1,1,0]=4 6860 B12R1.69 Cc1cc(c(cn1)SCCO)O 62a_100011016184_100000211926 [0,2,0,0,0,0|1,1,0]=4 6861 B12R1.69 Cc1cc(ccc1NCCF)Br 34a_100000211769_100011217306 [0,2,0,0,0,0|2,0,0]=4 6862 B12R1.69 Cc1cc(ccc1NCCF)Br 7a_100000211769_100011217306 [0,2,0,0,0,0|2,0,0]=4 6863 B12R1.69 Cc1cc(ccc1NCCF)Cl 34a_100000210418_100011217306 [0,2,0,0,0,0|2,0,0]=4 6864 B12R1.69 Cc1cc(ccc1NCCF)Cl 7a_100000210418_100011217306 [0,2,0,0,0,0|2,0,0]=4 6865 B12R1.69 Cc1cc(ccc1NCCF)F 34a_100000211637_100011217306 [0,2,0,0,0,0|2,0,0]=4 6866 B12R1.69 Cc1cc(ccc1NCCF)F 7a_100000211637_100011217306 [0,2,0,0,0,0|2,0,0]=4 6867 B12R1.69 Cc1cc(ccc1NCCF)I 34a_100000184554_100011217306 [0,2,0,0,0,0|2,0,0]=4 6868 B12R1.69 Cc1cc(ccc1NCCF)I 7a_100000184554_100011217306 [0,2,0,0,0,0|2,0,0]=4 6869 B12R1.69 Cc1cc(ccc1NCCF)O 34a_100000756630_100011217306 [0,2,0,0,0,0|2,0,0]=4 6870 B12R1.69 Cc1cc(ccc1NCCO)Br 34a_100000211769_100000211926 [0,2,0,0,0,0|1,0,0]=3 6871 B12R1.69 Cc1cc(ccc1NCCO)Br 7a_100000211769_100000211926 [0,2,0,0,0,0|1,0,0]=3 6872 B12R1.69 Cc1cc(ccc1NCCO)Cl 34a_100000210418_100000211926 [0,2,0,0,0,0|1,0,0]=3 6873 B12R1.69 Cc1cc(ccc1NCCO)Cl 7a_100000210418_100000211926 [0,2,0,0,0,0|1,0,0]=3 6874 B12R1.69 Cc1cc(ccc1NCCO)F 34a_100000211637_100000211926 [0,2,0,0,0,0|1,0,0]=3 6875 B12R1.69 Cc1cc(ccc1NCCO)F 7a_100000211637_100000211926 [0,2,0,0,0,0|1,0,0]=3 6876 B12R1.69 Cc1cc(ccc1NCCO)I 34a_100000184554_100000211926 [0,2,0,0,0,0|1,0,0]=3 6877 B12R1.69 Cc1cc(ccc1NCCO)I 7a_100000184554_100000211926 [0,2,0,0,0,0|1,0,0]=3 6878 B12R1.69 Cc1cc(ccc1NCCO)O 34a_100000756630_100000211926 [0,2,0,0,0,0|1,0,0]=3 6879 B12R1.69 Cc1cc(ccc1OCC#N)Br 7a_100000186361_100011215382 [0,2,0,0,0,0|1,0,1]=4 6880 B12R1.69 Cc1cc(ccc1OCC#N)Cl 7a_100000211091_100011215382 [0,2,0,0,0,0|1,0,1]=4 6881 B12R1.69 Cc1cc(ccc1OCC#N)F 7a_100000764316_100011215382 [0,2,0,0,0,0|1,0,1]=4 6882 B12R1.69 Cc1cc(ccc1OCC#N)I 7a_100011218673_100011215382 [0,2,0,0,0,0|1,0,1]=4 6883 B12R1.69 Cc1cc(ccc1OCC#N)N 7a_100011218179_100011215382 [0,2,0,0,0,0|1,0,1]=4 6884 B12R1.69 Cc1cc(ccc1OCC=O)Br 34a_100000186361_200009817547 [0,2,0,0,0,0|0,0,2]=4 6885 B12R1.69 Cc1cc(ccc1OCC=O)Br 7a_100000186361_200015260668 [0,2,0,0,0,0|0,0,2]=4 6886 B12R1.69 Cc1cc(ccc1OCC=O)Cl 34a_100000211091_200009817547 [0,2,0,0,0,0|0,0,2]=4 6887 B12R1.69 Cc1cc(ccc1OCC=O)Cl 7a_100000211091_200015260668 [0,2,0,0,0,0|0,0,2]=4 6888 B12R1.69 Cc1cc(ccc1OCC=O)F 34a_100000764316_200009817547 [0,2,0,0,0,0|0,0,2]=4 6889 B12R1.69 Cc1cc(ccc1OCC=O)F 7a_100000764316_200015260668 [0,2,0,0,0,0|0,0,2]=4 6890 B12R1.69 Cc1cc(ccc1OCC=O)I 34a_100011218673_200009817547 [0,2,0,0,0,0|0,0,2]=4 6891 B12R1.69 Cc1cc(ccc1OCC=O)I 7a_100011218673_200015260668 [0,2,0,0,0,0|0,0,2]=4 6892 B12R1.69 Cc1cc(ccc1OCC=O)N 34a_100011218179_200009817547 [0,2,0,0,0,0|0,0,2]=4 6893 B12R1.69 Cc1cc(ccc1OCC=O)N 7a_100011218179_200015260668 [0,2,0,0,0,0|0,0,2]=4 6894 B12R1.69 Cc1cc(ccc1OCCF)Br 34a_100000186361_100011217306 [0,2,0,0,0,0|1,0,0]=3 6895 B12R1.69 Cc1cc(ccc1OCCF)Br 7a_100000186361_100011217306 [0,2,0,0,0,0|1,0,0]=3 6896 B12R1.69 Cc1cc(ccc1OCCF)Cl 34a_100000211091_100011217306 [0,2,0,0,0,0|1,0,0]=3 6897 B12R1.69 Cc1cc(ccc1OCCF)Cl 7a_100000211091_100011217306 [0,2,0,0,0,0|1,0,0]=3 6898 B12R1.69 Cc1cc(ccc1OCCF)F 34a_100000764316_100011217306 [0,2,0,0,0,0|1,0,0]=3 6899 B12R1.69 Cc1cc(ccc1OCCF)F 7a_100000764316_100011217306 [0,2,0,0,0,0|1,0,0]=3 6900 B12R1.69 Cc1cc(ccc1OCCF)I 34a_100011218673_100011217306 [0,2,0,0,0,0|1,0,0]=3 6901 B12R1.69 Cc1cc(ccc1OCCF)I 7a_100011218673_100011217306 [0,2,0,0,0,0|1,0,0]=3 6902 B12R1.69 Cc1cc(ccc1OCCF)N 34a_100011218179_100011217306 [0,2,0,0,0,0|1,0,0]=3 6903 B12R1.69 Cc1cc(ccc1OCCF)N 7a_100011218179_100011217306 [0,2,0,0,0,0|1,0,0]=3 6904 B12R1.69 Cc1cc(ccc1OCCO)Br 34a_100000186361_100000211926 [0,2,0,0,0,0|0,0,0]=2 6905 B12R1.69 Cc1cc(ccc1OCCO)Br 7a_100000186361_100000211926 [0,2,0,0,0,0|0,0,0]=2 6906 B12R1.69 Cc1cc(ccc1OCCO)Cl 34a_100000211091_100000211926 [0,2,0,0,0,0|0,0,0]=2 6907 B12R1.69 Cc1cc(ccc1OCCO)Cl 7a_100000211091_100000211926 [0,2,0,0,0,0|0,0,0]=2 6908 B12R1.69 Cc1cc(ccc1OCCO)F 34a_100000764316_100000211926 [0,2,0,0,0,0|0,0,0]=2 6909 B12R1.69 Cc1cc(ccc1OCCO)F 7a_100000764316_100000211926 [0,2,0,0,0,0|0,0,0]=2 6910 B12R1.69 Cc1cc(ccc1OCCO)I 34a_100011218673_100000211926 [0,2,0,0,0,0|0,0,0]=2 6911 B12R1.69 Cc1cc(ccc1OCCO)I 7a_100011218673_100000211926 [0,2,0,0,0,0|0,0,0]=2 6912 B12R1.69 Cc1cc(ccc1OCCO)N 34a_100011218179_100000211926 [0,2,0,0,0,0|0,0,0]=2 6913 B12R1.69 Cc1cc(ccc1OCCO)N 7a_100011218179_100000211926 [0,2,0,0,0,0|0,0,0]=2 6914 B12R1.69 Cc1cc(ccc1SCCF)Br 62a_100000701812_100011217306 [0,2,0,0,0,0|1,1,0]=4 6915 B12R1.69 Cc1cc(ccc1SCCF)Br 62a_100011217306_100000701812 [0,2,0,0,0,0|1,1,0]=4 6916 B12R1.69 Cc1cc(ccc1SCCF)Cl 62a_100011217306_100011219607 [0,2,0,0,0,0|1,1,0]=4 6917 B12R1.69 Cc1cc(ccc1SCCF)Cl 62a_100011219607_100011217306 [0,2,0,0,0,0|1,1,0]=4 6918 B12R1.69 Cc1cc(ccc1SCCF)F 62a_100011205405_100011217306 [0,2,0,0,0,0|1,1,0]=4 6919 B12R1.69 Cc1cc(ccc1SCCF)F 62a_100011217306_100011205405 [0,2,0,0,0,0|1,1,0]=4 6920 B12R1.69 Cc1cc(ccc1SCCF)N 62a_100000210723_100011217306 [0,2,0,0,0,0|1,1,0]=4 6921 B12R1.69 Cc1cc(ccc1SCCF)N 62a_100011217306_100000210723 [0,2,0,0,0,0|1,1,0]=4 6922 B12R1.69 Cc1cc(ccc1SCCF)O 62a_100011217306_100000690111 [0,2,0,0,0,0|1,1,0]=4 6923 B12R1.69 Cc1cc(ccc1SCCO)Br 62a_100000211926_100000701812 [0,2,0,0,0,0|0,1,0]=3 6924 B12R1.69 Cc1cc(ccc1SCCO)Br 62a_100000701812_100000211926 [0,2,0,0,0,0|0,1,0]=3 6925 B12R1.69 Cc1cc(ccc1SCCO)Cl 62a_100000211926_100011219607 [0,2,0,0,0,0|0,1,0]=3 6926 B12R1.69 Cc1cc(ccc1SCCO)Cl 62a_100011219607_100000211926 [0,2,0,0,0,0|0,1,0]=3 6927 B12R1.69 Cc1cc(ccc1SCCO)F 62a_100000211926_100011205405 [0,2,0,0,0,0|0,1,0]=3 6928 B12R1.69 Cc1cc(ccc1SCCO)F 62a_100011205405_100000211926 [0,2,0,0,0,0|0,1,0]=3 6929 B12R1.69 Cc1cc(ccc1SCCO)N 62a_100000210723_100000211926 [0,2,0,0,0,0|0,1,0]=3 6930 B12R1.69 Cc1cc(ccc1SCCO)N 62a_100000211926_100000210723 [0,2,0,0,0,0|0,1,0]=3 6931 B12R1.69 Cc1cc(ccc1SCCO)O 62a_100000211926_100000690111 [0,2,0,0,0,0|0,1,0]=3 6932 B12R1.69 Cc1cc(cnc1OCCF)Br 34a_100000685391_100011217306 [0,2,0,0,0,0|2,0,0]=4 6933 B12R1.69 Cc1cc(cnc1OCCO)Br 34a_100000685391_100000211926 [0,2,0,0,0,0|1,0,0]=3 6934 B12R1.69 Cc1cc(cnc1SCCO)Br 62a_100000211926_100012353652 [0,2,0,0,0,0|1,1,0]=4 6935 B12R1.69 Cc1cc(cnc1SCCO)Br 62a_100012353652_100000211926 [0,2,0,0,0,0|1,1,0]=4 6936 B12R1.69 Cc1cc(cnc1SCCO)F 62a_100000211926_100009817009 [0,2,0,0,0,0|1,1,0]=4 6937 B12R1.69 Cc1cc(cnc1SCCO)F 62a_100009817009_100000211926 [0,2,0,0,0,0|1,1,0]=4 6938 B12R1.69 Cc1cc(cnc1SCCO)N 62a_100000211926_100000761747 [0,2,0,0,0,0|1,1,0]=4 6939 B12R1.69 Cc1cc(cnc1SCCO)N 62a_100000761747_100000211926 [0,2,0,0,0,0|1,1,0]=4 6940 B12R1.69 Cc1cc(cnc1SCCO)O 62a_100000211926_100012000486 [0,2,0,0,0,0|1,1,0]=4 6941 B12R1.69 Cc1cc(cnc1SCCO)O 62a_100012000486_100000211926 [0,2,0,0,0,0|1,1,0]=4 6942 B12R1.69 Cc1cc(ncc1OCCF)Cl 34a_100000692680_100011217306 [0,2,0,0,0,0|2,0,0]=4 6943 B12R1.69 Cc1cc(ncc1OCCF)Cl 7a_100000692680_100011217306 [0,2,0,0,0,0|2,0,0]=4 6944 B12R1.69 Cc1cc(ncc1OCCF)F 34a_100009856773_100011217306 [0,2,0,0,0,0|2,0,0]=4 6945 B12R1.69 Cc1cc(ncc1OCCF)F 7a_100009856773_100011217306 [0,2,0,0,0,0|2,0,0]=4 6946 B12R1.69 Cc1cc(ncc1OCCO)Cl 34a_100000692680_100000211926 [0,2,0,0,0,0|1,0,0]=3 6947 B12R1.69 Cc1cc(ncc1OCCO)Cl 7a_100000692680_100000211926 [0,2,0,0,0,0|1,0,0]=3 6948 B12R1.69 Cc1cc(ncc1OCCO)F 34a_100009856773_100000211926 [0,2,0,0,0,0|1,0,0]=3 6949 B12R1.69 Cc1cc(ncc1OCCO)F 7a_100009856773_100000211926 [0,2,0,0,0,0|1,0,0]=3 6950 B12R1.69 Cc1cc(ncc1SCCO)Br 62a_100000211926_100009816104 [0,2,0,0,0,0|1,1,0]=4 6951 B12R1.69 Cc1cc(ncc1SCCO)Br 62a_100009816104_100000211926 [0,2,0,0,0,0|1,1,0]=4 6952 B12R1.69 Cc1cc(ncc1SCCO)Cl 62a_100000211926_100010172789 [0,2,0,0,0,0|1,1,0]=4 6953 B12R1.69 Cc1cc(ncc1SCCO)Cl 62a_100010172789_100000211926 [0,2,0,0,0,0|1,1,0]=4 6954 B12R1.69 Cc1cc(ncc1SCCO)F 62a_100000211926_100009820716 [0,2,0,0,0,0|1,1,0]=4 6955 B12R1.69 Cc1cc(ncc1SCCO)F 62a_100009820716_100000211926 [0,2,0,0,0,0|1,1,0]=4 6956 B12R1.69 Cc1cc(ncc1SCCO)N 62a_100000050067_100000211926 [0,2,0,0,0,0|1,1,0]=4 6957 B12R1.69 Cc1cc(ncc1SCCO)N 62a_100000211926_100000050067 [0,2,0,0,0,0|1,1,0]=4 6958 B12R1.69 Cc1cc(ncc1SCCO)O 62a_100000211926_100000766222 [0,2,0,0,0,0|1,1,0]=4 6959 B12R1.69 Cc1cc(ncc1SCCO)O 62a_100000766222_100000211926 [0,2,0,0,0,0|1,1,0]=4 6960 B12R1.69 Cc1ccc([n+](c1)[O-])SCCO 62a_100000211926_100009819918 [0,2,0,0,0,0|1,1,0]=4 6961 B12R1.69 Cc1ccc(c(c1)Br)NCCF 34a_100000210942_100011217306 [0,2,0,0,0,0|2,0,0]=4 6962 B12R1.69 Cc1ccc(c(c1)Br)NCCO 34a_100000210942_100000211926 [0,2,0,0,0,0|1,0,0]=3 6963 B12R1.69 Cc1ccc(c(c1)Br)OCC#N 7a_100000210800_100011215382 [0,2,0,0,0,0|1,0,1]=4 6964 B12R1.69 Cc1ccc(c(c1)Br)OCC=O 34a_100000210800_200009817547 [0,2,0,0,0,0|0,0,2]=4 6965 B12R1.69 Cc1ccc(c(c1)Br)OCC=O 7a_100000210800_200015260668 [0,2,0,0,0,0|0,0,2]=4 6966 B12R1.69 Cc1ccc(c(c1)Br)OCCF 34a_100000210800_100011217306 [0,2,0,0,0,0|1,0,0]=3 6967 B12R1.69 Cc1ccc(c(c1)Br)OCCF 7a_100000210800_100011217306 [0,2,0,0,0,0|1,0,0]=3 6968 B12R1.69 Cc1ccc(c(c1)Br)OCCO 34a_100000210800_100000211926 [0,2,0,0,0,0|0,0,0]=2 6969 B12R1.69 Cc1ccc(c(c1)Br)OCCO 7a_100000210800_100000211926 [0,2,0,0,0,0|0,0,0]=2 6970 B12R1.69 Cc1ccc(c(c1)Br)SCCF 62a_100009813563_100011217306 [0,2,0,0,0,0|1,1,0]=4 6971 B12R1.69 Cc1ccc(c(c1)Br)SCCF 62a_100011217306_100009813563 [0,2,0,0,0,0|1,1,0]=4 6972 B12R1.69 Cc1ccc(c(c1)Br)SCCO 62a_100000211926_100009813563 [0,2,0,0,0,0|0,1,0]=3 6973 B12R1.69 Cc1ccc(c(c1)Br)SCCO 62a_100009813563_100000211926 [0,2,0,0,0,0|0,1,0]=3 6974 B12R1.69 Cc1ccc(c(c1)C)NCCF 34a_100000736561_100011217306 [0,2,0,0,0,0|2,0,0]=4 6975 B12R1.69 Cc1ccc(c(c1)C)NCCF 7a_100000736561_100011217306 [0,2,0,0,0,0|2,0,0]=4 6976 B12R1.69 Cc1ccc(c(c1)C)NCCO 34a_100000736561_100000211926 [0,2,0,0,0,0|1,0,0]=3 6977 B12R1.69 Cc1ccc(c(c1)C)NCCO 7a_100000736561_100000211926 [0,2,0,0,0,0|1,0,0]=3 6978 B12R1.69 Cc1ccc(c(c1)C)OCC#N 7a_100000211776_100011215382 [0,2,0,0,0,0|1,0,1]=4 6979 B12R1.69 Cc1ccc(c(c1)C)OCC=O 34a_100000211776_200009817547 [0,2,0,0,0,0|0,0,2]=4 6980 B12R1.69 Cc1ccc(c(c1)C)OCC=O 7a_100000211776_200015260668 [0,2,0,0,0,0|0,0,2]=4 6981 B12R1.69 Cc1ccc(c(c1)C)OCCF 34a_100000211776_100011217306 [0,2,0,0,0,0|1,0,0]=3 6982 B12R1.69 Cc1ccc(c(c1)C)OCCF 7a_100000211776_100011217306 [0,2,0,0,0,0|1,0,0]=3 6983 B12R1.69 Cc1ccc(c(c1)C)OCCO 34a_100000211776_100000211926 [0,2,0,0,0,0|0,0,0]=2 6984 B12R1.69 Cc1ccc(c(c1)C)OCCO 7a_100000211776_100000211926 [0,2,0,0,0,0|0,0,0]=2 6985 B12R1.69 Cc1ccc(c(c1)C)SCCF 62a_100011217306_100011217332 [0,2,0,0,0,0|1,1,0]=4 6986 B12R1.69 Cc1ccc(c(c1)C)SCCF 62a_100011217332_100011217306 [0,2,0,0,0,0|1,1,0]=4 6987 B12R1.69 Cc1ccc(c(c1)C)SCCO 62a_100000211926_100011217332 [0,2,0,0,0,0|0,1,0]=3 6988 B12R1.69 Cc1ccc(c(c1)C)SCCO 62a_100011217332_100000211926 [0,2,0,0,0,0|0,1,0]=3 6989 B12R1.69 Cc1ccc(c(c1)Cl)NCCF 34a_100000210522_100011217306 [0,2,0,0,0,0|2,0,0]=4 6990 B12R1.69 Cc1ccc(c(c1)Cl)NCCO 34a_100000210522_100000211926 [0,2,0,0,0,0|1,0,0]=3 6991 B12R1.69 Cc1ccc(c(c1)Cl)OCC#N 7a_100000749699_100011215382 [0,2,0,0,0,0|1,0,1]=4 6992 B12R1.69 Cc1ccc(c(c1)Cl)OCC=O 34a_100000749699_200009817547 [0,2,0,0,0,0|0,0,2]=4 6993 B12R1.69 Cc1ccc(c(c1)Cl)OCC=O 7a_100000749699_200015260668 [0,2,0,0,0,0|0,0,2]=4 6994 B12R1.69 Cc1ccc(c(c1)Cl)OCCF 34a_100000749699_100011217306 [0,2,0,0,0,0|1,0,0]=3 6995 B12R1.69 Cc1ccc(c(c1)Cl)OCCF 7a_100000749699_100011217306 [0,2,0,0,0,0|1,0,0]=3 6996 B12R1.69 Cc1ccc(c(c1)Cl)OCCO 34a_100000749699_100000211926 [0,2,0,0,0,0|0,0,0]=2 6997 B12R1.69 Cc1ccc(c(c1)Cl)OCCO 7a_100000749699_100000211926 [0,2,0,0,0,0|0,0,0]=2 6998 B12R1.69 Cc1ccc(c(c1)Cl)SCCF 62a_100011217306_100011263221 [0,2,0,0,0,0|1,1,0]=4 6999 B12R1.69 Cc1ccc(c(c1)Cl)SCCF 62a_100011263221_100011217306 [0,2,0,0,0,0|1,1,0]=4 7000 B12R1.69 Cc1ccc(c(c1)Cl)SCCO 62a_100000211926_100011263221 [0,2,0,0,0,0|0,1,0]=3 7001 B12R1.69 Cc1ccc(c(c1)Cl)SCCO 62a_100011263221_100000211926 [0,2,0,0,0,0|0,1,0]=3 7002 B12R1.69 Cc1ccc(c(c1)F)NCCF 34a_100000211023_100011217306 [0,2,0,0,0,0|2,0,0]=4 7003 B12R1.69 Cc1ccc(c(c1)F)NCCO 34a_100000211023_100000211926 [0,2,0,0,0,0|1,0,0]=3 7004 B12R1.69 Cc1ccc(c(c1)F)OCC#N 7a_100011216688_100011215382 [0,2,0,0,0,0|1,0,1]=4 7005 B12R1.69 Cc1ccc(c(c1)F)OCC=O 34a_100011216688_200009817547 [0,2,0,0,0,0|0,0,2]=4 7006 B12R1.69 Cc1ccc(c(c1)F)OCC=O 7a_100011216688_200015260668 [0,2,0,0,0,0|0,0,2]=4 7007 B12R1.69 Cc1ccc(c(c1)F)OCCF 34a_100011216688_100011217306 [0,2,0,0,0,0|1,0,0]=3 7008 B12R1.69 Cc1ccc(c(c1)F)OCCF 7a_100011216688_100011217306 [0,2,0,0,0,0|1,0,0]=3 7009 B12R1.69 Cc1ccc(c(c1)F)OCCO 34a_100011216688_100000211926 [0,2,0,0,0,0|0,0,0]=2 7010 B12R1.69 Cc1ccc(c(c1)F)OCCO 7a_100011216688_100000211926 [0,2,0,0,0,0|0,0,0]=2 7011 B12R1.69 Cc1ccc(c(c1)F)SCCF 62a_100011216119_100011217306 [0,2,0,0,0,0|1,1,0]=4 7012 B12R1.69 Cc1ccc(c(c1)F)SCCF 62a_100011217306_100011216119 [0,2,0,0,0,0|1,1,0]=4 7013 B12R1.69 Cc1ccc(c(c1)F)SCCO 62a_100000211926_100011216119 [0,2,0,0,0,0|0,1,0]=3 7014 B12R1.69 Cc1ccc(c(c1)F)SCCO 62a_100011216119_100000211926 [0,2,0,0,0,0|0,1,0]=3 7015 B12R1.69 Cc1ccc(c(c1)I)NCCF 34a_100011356834_100011217306 [0,2,0,0,0,0|2,0,0]=4 7016 B12R1.69 Cc1ccc(c(c1)I)NCCO 34a_100011356834_100000211926 [0,2,0,0,0,0|1,0,0]=3 7017 B12R1.69 Cc1ccc(c(c1)I)OCC#N 7a_100000765521_100011215382 [0,2,0,0,0,0|1,0,1]=4 7018 B12R1.69 Cc1ccc(c(c1)I)OCC=O 34a_100000765521_200009817547 [0,2,0,0,0,0|0,0,2]=4 7019 B12R1.69 Cc1ccc(c(c1)I)OCC=O 7a_100000765521_200015260668 [0,2,0,0,0,0|0,0,2]=4 7020 B12R1.69 Cc1ccc(c(c1)I)OCCF 34a_100000765521_100011217306 [0,2,0,0,0,0|1,0,0]=3 7021 B12R1.69 Cc1ccc(c(c1)I)OCCF 7a_100000765521_100011217306 [0,2,0,0,0,0|1,0,0]=3 7022 B12R1.69 Cc1ccc(c(c1)I)OCCO 34a_100000765521_100000211926 [0,2,0,0,0,0|0,0,0]=2 7023 B12R1.69 Cc1ccc(c(c1)I)OCCO 7a_100000765521_100000211926 [0,2,0,0,0,0|0,0,0]=2 7024 B12R1.69 Cc1ccc(c(c1)N)OCC#N 7a_100011215204_100011215382 [0,2,0,0,0,0|1,0,1]=4 7025 B12R1.69 Cc1ccc(c(c1)N)OCC=O 34a_100011215204_200009817547 [0,2,0,0,0,0|0,0,2]=4 7026 B12R1.69 Cc1ccc(c(c1)N)OCC=O 7a_100011215204_200015260668 [0,2,0,0,0,0|0,0,2]=4 7027 B12R1.69 Cc1ccc(c(c1)N)OCCF 34a_100011215204_100011217306 [0,2,0,0,0,0|1,0,0]=3 7028 B12R1.69 Cc1ccc(c(c1)N)OCCF 7a_100011215204_100011217306 [0,2,0,0,0,0|1,0,0]=3 7029 B12R1.69 Cc1ccc(c(c1)N)OCCO 34a_100011215204_100000211926 [0,2,0,0,0,0|0,0,0]=2 7030 B12R1.69 Cc1ccc(c(c1)N)OCCO 7a_100011215204_100000211926 [0,2,0,0,0,0|0,0,0]=2 7031 B12R1.69 Cc1ccc(c(c1)N)SCCF 62a_100011216686_100011217306 [0,2,0,0,0,0|1,1,0]=4 7032 B12R1.69 Cc1ccc(c(c1)N)SCCF 62a_100011217306_100011216686 [0,2,0,0,0,0|1,1,0]=4 7033 B12R1.69 Cc1ccc(c(c1)N)SCCO 62a_100000211926_100011216686 [0,2,0,0,0,0|0,1,0]=3 7034 B12R1.69 Cc1ccc(c(c1)N)SCCO 62a_100011216686_100000211926 [0,2,0,0,0,0|0,1,0]=3 7035 B12R1.69 Cc1ccc(c(c1)O)NCCF 34a_100000211527_100011217306 [0,2,0,0,0,0|2,0,0]=4 7036 B12R1.69 Cc1ccc(c(c1)O)NCCO 34a_100000211527_100000211926 [0,2,0,0,0,0|1,0,0]=3 7037 B12R1.69 Cc1ccc(c(c1)O)OCCN 271570a_203496583355_100025744979 [0,2,0,0,0,0|1,0,0]=3 7038 B12R1.69 Cc1ccc(c(c1)O)SCCF 62a_100011217306_100012002257 [0,2,0,0,0,0|1,1,0]=4 7039 B12R1.69 Cc1ccc(c(c1)O)SCCF 62a_100012002257_100011217306 [0,2,0,0,0,0|1,1,0]=4 7040 B12R1.69 Cc1ccc(c(c1)O)SCCO 62a_100000211926_100012002257 [0,2,0,0,0,0|0,1,0]=3 7041 B12R1.69 Cc1ccc(c(c1)O)SCCO 62a_100012002257_100000211926 [0,2,0,0,0,0|0,1,0]=3 7042 B12R1.69 Cc1ccc(c(n1)Br)OCCF 34a_100000702858_100011217306 [0,2,0,0,0,0|2,0,0]=4 7043 B12R1.69 Cc1ccc(c(n1)Br)OCCF 7a_100000702858_100011217306 [0,2,0,0,0,0|2,0,0]=4 7044 B12R1.69 Cc1ccc(c(n1)Br)OCCO 34a_100000702858_100000211926 [0,2,0,0,0,0|1,0,0]=3 7045 B12R1.69 Cc1ccc(c(n1)Br)OCCO 7a_100000702858_100000211926 [0,2,0,0,0,0|1,0,0]=3 7046 B12R1.69 Cc1ccc(c(n1)C)OCCF 34a_100011218912_100011217306 [0,2,0,0,0,0|2,0,0]=4 7047 B12R1.69 Cc1ccc(c(n1)C)OCCF 7a_100011218912_100011217306 [0,2,0,0,0,0|2,0,0]=4 7048 B12R1.69 Cc1ccc(c(n1)C)OCCO 34a_100011218912_100000211926 [0,2,0,0,0,0|1,0,0]=3 7049 B12R1.69 Cc1ccc(c(n1)C)OCCO 7a_100011218912_100000211926 [0,2,0,0,0,0|1,0,0]=3 7050 B12R1.69 Cc1ccc(c(n1)C)SCCO 62a_100000211926_100009813853 [0,2,0,0,0,0|1,1,0]=4 7051 B12R1.69 Cc1ccc(c(n1)C)SCCO 62a_100009813853_100000211926 [0,2,0,0,0,0|1,1,0]=4 7052 B12R1.69 Cc1ccc(c(n1)Cl)OCCF 34a_100000086286_100011217306 [0,2,0,0,0,0|2,0,0]=4 7053 B12R1.69 Cc1ccc(c(n1)Cl)OCCF 7a_100000086286_100011217306 [0,2,0,0,0,0|2,0,0]=4 7054 B12R1.69 Cc1ccc(c(n1)Cl)OCCO 34a_100000086286_100000211926 [0,2,0,0,0,0|1,0,0]=3 7055 B12R1.69 Cc1ccc(c(n1)Cl)OCCO 7a_100000086286_100000211926 [0,2,0,0,0,0|1,0,0]=3 7056 B12R1.69 Cc1ccc(c(n1)F)OCCF 34a_100000079963_100011217306 [0,2,0,0,0,0|2,0,0]=4 7057 B12R1.69 Cc1ccc(c(n1)F)OCCF 7a_100000079963_100011217306 [0,2,0,0,0,0|2,0,0]=4 7058 B12R1.69 Cc1ccc(c(n1)F)OCCO 34a_100000079963_100000211926 [0,2,0,0,0,0|1,0,0]=3 7059 B12R1.69 Cc1ccc(c(n1)F)OCCO 7a_100000079963_100000211926 [0,2,0,0,0,0|1,0,0]=3 7060 B12R1.69 Cc1ccc(c(n1)F)SCCO 62a_100000211926_100010006597 [0,2,0,0,0,0|1,1,0]=4 7061 B12R1.69 Cc1ccc(c(n1)F)SCCO 62a_100010006597_100000211926 [0,2,0,0,0,0|1,1,0]=4 7062 B12R1.69 Cc1ccc(c(n1)I)OCCF 34a_100000023897_100011217306 [0,2,0,0,0,0|2,0,0]=4 7063 B12R1.69 Cc1ccc(c(n1)I)OCCF 7a_100000023897_100011217306 [0,2,0,0,0,0|2,0,0]=4 7064 B12R1.69 Cc1ccc(c(n1)I)OCCO 34a_100000023897_100000211926 [0,2,0,0,0,0|1,0,0]=3 7065 B12R1.69 Cc1ccc(c(n1)I)OCCO 7a_100000023897_100000211926 [0,2,0,0,0,0|1,0,0]=3 7066 B12R1.69 Cc1ccc(c(n1)N)OCCF 34a_100000694039_100011217306 [0,2,0,0,0,0|2,0,0]=4 7067 B12R1.69 Cc1ccc(c(n1)N)OCCF 7a_100000694039_100011217306 [0,2,0,0,0,0|2,0,0]=4 7068 B12R1.69 Cc1ccc(c(n1)N)OCCO 34a_100000694039_100000211926 [0,2,0,0,0,0|1,0,0]=3 7069 B12R1.69 Cc1ccc(c(n1)N)OCCO 7a_100000694039_100000211926 [0,2,0,0,0,0|1,0,0]=3 7070 B12R1.69 Cc1ccc(c(n1)N)SCCO 62a_100000211926_100009816662 [0,2,0,0,0,0|1,1,0]=4 7071 B12R1.69 Cc1ccc(c(n1)N)SCCO 62a_100009816662_100000211926 [0,2,0,0,0,0|1,1,0]=4 7072 B12R1.69 Cc1ccc(c(n1)O)SCCO 62a_100000211926_100009817604 [0,2,0,0,0,0|1,1,0]=4 7073 B12R1.69 Cc1ccc(c(n1)O)SCCO 62a_100009817604_100000211926 [0,2,0,0,0,0|1,1,0]=4 7074 B12R1.69 Cc1cnc(c(c1)Br)OCCF 34a_100000719714_100011217306 [0,2,0,0,0,0|2,0,0]=4 7075 B12R1.69 Cc1cnc(c(c1)Br)OCCO 34a_100000719714_100000211926 [0,2,0,0,0,0|1,0,0]=3 7076 B12R1.69 Cc1cnc(c(c1)C)SCCO 62a_100000211926_100009864548 [0,2,0,0,0,0|1,1,0]=4 7077 B12R1.69 Cc1cnc(c(c1)C)SCCO 62a_100009864548_100000211926 [0,2,0,0,0,0|1,1,0]=4 7078 B12R1.69 Cc1cnc(c(c1)F)SCCO 62a_100000211926_100009819633 [0,2,0,0,0,0|1,1,0]=4 7079 B12R1.69 Cc1cnc(c(c1)F)SCCO 62a_100009819633_100000211926 [0,2,0,0,0,0|1,1,0]=4 7080 B12R1.69 Cc1cnc(c(c1)N)OCCF 34a_100012000488_100011217306 [0,2,0,0,0,0|2,0,0]=4 7081 B12R1.69 Cc1cnc(c(c1)N)OCCO 34a_100012000488_100000211926 [0,2,0,0,0,0|1,0,0]=3 7082 B12R1.69 Cc1cnc(c(c1)N)SCCO 62a_100000211926_100000733613 [0,2,0,0,0,0|1,1,0]=4 7083 B12R1.69 Cc1cnc(c(c1)N)SCCO 62a_100000733613_100000211926 [0,2,0,0,0,0|1,1,0]=4 7084 B12R1.69 Cc1cnc(c(c1)O)SCCO 62a_100000211926_100012000487 [0,2,0,0,0,0|1,1,0]=4 7085 B12R1.69 Cc1nc(ccc1OCCF)Br 34a_100012002022_100011217306 [0,2,0,0,0,0|2,0,0]=4 7086 B12R1.69 Cc1nc(ccc1OCCF)Br 7a_100012002022_100011217306 [0,2,0,0,0,0|2,0,0]=4 7087 B12R1.69 Cc1nc(ccc1OCCF)Cl 34a_100012184626_100011217306 [0,2,0,0,0,0|2,0,0]=4 7088 B12R1.69 Cc1nc(ccc1OCCF)Cl 7a_100012184626_100011217306 [0,2,0,0,0,0|2,0,0]=4 7089 B12R1.69 Cc1nc(ccc1OCCF)F 34a_100009881036_100011217306 [0,2,0,0,0,0|2,0,0]=4 7090 B12R1.69 Cc1nc(ccc1OCCF)F 7a_100009881036_100011217306 [0,2,0,0,0,0|2,0,0]=4 7091 B12R1.69 Cc1nc(ccc1OCCF)I 34a_100010233687_100011217306 [0,2,0,0,0,0|2,0,0]=4 7092 B12R1.69 Cc1nc(ccc1OCCF)I 7a_100010233687_100011217306 [0,2,0,0,0,0|2,0,0]=4 7093 B12R1.69 Cc1nc(ccc1OCCO)Br 34a_100012002022_100000211926 [0,2,0,0,0,0|1,0,0]=3 7094 B12R1.69 Cc1nc(ccc1OCCO)Br 7a_100012002022_100000211926 [0,2,0,0,0,0|1,0,0]=3 7095 B12R1.69 Cc1nc(ccc1OCCO)Cl 34a_100012184626_100000211926 [0,2,0,0,0,0|1,0,0]=3 7096 B12R1.69 Cc1nc(ccc1OCCO)Cl 7a_100012184626_100000211926 [0,2,0,0,0,0|1,0,0]=3 7097 B12R1.69 Cc1nc(ccc1OCCO)F 34a_100009881036_100000211926 [0,2,0,0,0,0|1,0,0]=3 7098 B12R1.69 Cc1nc(ccc1OCCO)F 7a_100009881036_100000211926 [0,2,0,0,0,0|1,0,0]=3 7099 B12R1.69 Cc1nc(ccc1OCCO)I 34a_100010233687_100000211926 [0,2,0,0,0,0|1,0,0]=3 7100 B12R1.69 Cc1nc(ccc1OCCO)I 7a_100010233687_100000211926 [0,2,0,0,0,0|1,0,0]=3 7101 B12R1.69 Cc1nc(ccc1SCCO)Cl 62a_100000062408_100000211926 [0,2,0,0,0,0|1,1,0]=4 7102 B12R1.69 Cc1nc(ccc1SCCO)Cl 62a_100000211926_100000062408 [0,2,0,0,0,0|1,1,0]=4 7103 B12R1.69 Cc1nc(ccc1SCCO)F 62a_100000211926_100000688911 [0,2,0,0,0,0|1,1,0]=4 7104 B12R1.69 Cc1nc(ccc1SCCO)F 62a_100000688911_100000211926 [0,2,0,0,0,0|1,1,0]=4 7105 B12R1.69 Cc1nc(ccc1SCCO)N 62a_100000187202_100000211926 [0,2,0,0,0,0|1,1,0]=4 7106 B12R1.69 Cc1nc(ccc1SCCO)N 62a_100000211926_100000187202 [0,2,0,0,0,0|1,1,0]=4 7107 B12R1.69 Cc1nc(ccc1SCCO)O 62a_100000211926_100000691680 [0,2,0,0,0,0|1,1,0]=4 7108 B12R1.69 Cc1nc(ccc1SCCO)O 62a_100000691680_100000211926 [0,2,0,0,0,0|1,1,0]=4 7109 B12R1.69 Cc1ncc(c(n1)C)OCCO 34a_100009864123_100000211926 [0,2,0,0,0,0|2,0,0]=4 7110 B12R1.69 Cc1ncc(c(n1)C)OCCO 7a_100009864123_100000211926 [0,2,0,0,0,0|2,0,0]=4 7111 B12R1.69 FCCNc1ccc(cc1Br)Br 34a_100000211012_100011217306 [0,2,0,0,0,0|2,0,0]=4 7112 B12R1.69 FCCNc1ccc(cc1Br)Cl 34a_100000752454_100011217306 [0,2,0,0,0,0|2,0,0]=4 7113 B12R1.69 FCCNc1ccc(cc1Br)F 34a_100000738039_100011217306 [0,2,0,0,0,0|2,0,0]=4 7114 B12R1.69 FCCNc1ccc(cc1Cl)Br 34a_100000211467_100011217306 [0,2,0,0,0,0|2,0,0]=4 7115 B12R1.69 FCCNc1ccc(cc1Cl)Cl 34a_100000185861_100011217306 [0,2,0,0,0,0|2,0,0]=4 7116 B12R1.69 FCCNc1ccc(cc1Cl)F 34a_100000212003_100011217306 [0,2,0,0,0,0|2,0,0]=4 7117 B12R1.69 FCCNc1ccc(cc1Cl)I 34a_100011218065_100011217306 [0,2,0,0,0,0|2,0,0]=4 7118 B12R1.69 FCCNc1ccc(cc1F)Br 34a_100000210722_100011217306 [0,2,0,0,0,0|2,0,0]=4 7119 B12R1.69 FCCNc1ccc(cc1F)Cl 34a_100000211020_100011217306 [0,2,0,0,0,0|2,0,0]=4 7120 B12R1.69 FCCNc1ccc(cc1F)F 34a_100000210720_100011217306 [0,2,0,0,0,0|2,0,0]=4 7121 B12R1.69 FCCNc1ccc(cc1F)I 34a_100011215594_100011217306 [0,2,0,0,0,0|2,0,0]=4 7122 B12R1.69 FCCNc1ccc(cc1I)Br 34a_100000187925_100011217306 [0,2,0,0,0,0|2,0,0]=4 7123 B12R1.69 FCCNc1ccc(cc1I)Cl 34a_100000761889_100011217306 [0,2,0,0,0,0|2,0,0]=4 7124 B12R1.69 FCCNc1ccc(cc1I)F 34a_100000760547_100011217306 [0,2,0,0,0,0|2,0,0]=4 7125 B12R1.69 FCCOc1ccc(cc1Br)Br 34a_100000188717_100011217306 [0,2,0,0,0,0|1,0,0]=3 7126 B12R1.69 FCCOc1ccc(cc1Br)Br 7a_100000188717_100011217306 [0,2,0,0,0,0|1,0,0]=3 7127 B12R1.69 FCCOc1ccc(cc1Br)Cl 34a_100000211998_100011217306 [0,2,0,0,0,0|1,0,0]=3 7128 B12R1.69 FCCOc1ccc(cc1Br)Cl 7a_100000211998_100011217306 [0,2,0,0,0,0|1,0,0]=3 7129 B12R1.69 FCCOc1ccc(cc1Br)F 34a_100000211999_100011217306 [0,2,0,0,0,0|1,0,0]=3 7130 B12R1.69 FCCOc1ccc(cc1Br)F 7a_100000211999_100011217306 [0,2,0,0,0,0|1,0,0]=3 7131 B12R1.69 FCCOc1ccc(cc1Br)I 34a_100012361655_100011217306 [0,2,0,0,0,0|1,0,0]=3 7132 B12R1.69 FCCOc1ccc(cc1Br)I 7a_100012361655_100011217306 [0,2,0,0,0,0|1,0,0]=3 7133 B12R1.69 FCCOc1ccc(cc1Cl)Br 34a_100000186472_100011217306 [0,2,0,0,0,0|1,0,0]=3 7134 B12R1.69 FCCOc1ccc(cc1Cl)Br 7a_100000186472_100011217306 [0,2,0,0,0,0|1,0,0]=3 7135 B12R1.69 FCCOc1ccc(cc1Cl)Cl 34a_100015191787_100011217306 [0,2,0,0,0,0|1,0,0]=3 7136 B12R1.69 FCCOc1ccc(cc1Cl)Cl 7a_100015191787_100011217306 [0,2,0,0,0,0|1,0,0]=3 7137 B12R1.69 FCCOc1ccc(cc1Cl)F 34a_100000212004_100011217306 [0,2,0,0,0,0|1,0,0]=3 7138 B12R1.69 FCCOc1ccc(cc1Cl)F 7a_100000212004_100011217306 [0,2,0,0,0,0|1,0,0]=3 7139 B12R1.69 FCCOc1ccc(cc1Cl)I 34a_100012360047_100011217306 [0,2,0,0,0,0|1,0,0]=3 7140 B12R1.69 FCCOc1ccc(cc1Cl)I 7a_100012360047_100011217306 [0,2,0,0,0,0|1,0,0]=3 7141 B12R1.69 FCCOc1ccc(cc1F)Br 34a_100000185481_100011217306 [0,2,0,0,0,0|1,0,0]=3 7142 B12R1.69 FCCOc1ccc(cc1F)Br 7a_100000185481_100011217306 [0,2,0,0,0,0|1,0,0]=3 7143 B12R1.69 FCCOc1ccc(cc1F)Cl 34a_100000230166_100011217306 [0,2,0,0,0,0|1,0,0]=3 7144 B12R1.69 FCCOc1ccc(cc1F)Cl 7a_100000230166_100011217306 [0,2,0,0,0,0|1,0,0]=3 7145 B12R1.69 FCCOc1ccc(cc1F)F 34a_100000230127_100011217306 [0,2,0,0,0,0|1,0,0]=3 7146 B12R1.69 FCCOc1ccc(cc1F)F 7a_100000230127_100011217306 [0,2,0,0,0,0|1,0,0]=3 7147 B12R1.69 FCCOc1ccc(cc1F)I 34a_100011356965_100011217306 [0,2,0,0,0,0|1,0,0]=3 7148 B12R1.69 FCCOc1ccc(cc1F)I 7a_100011356965_100011217306 [0,2,0,0,0,0|1,0,0]=3 7149 B12R1.69 FCCOc1ccc(cc1I)Br 34a_100012355227_100011217306 [0,2,0,0,0,0|1,0,0]=3 7150 B12R1.69 FCCOc1ccc(cc1I)Br 7a_100012355227_100011217306 [0,2,0,0,0,0|1,0,0]=3 7151 B12R1.69 FCCOc1ccc(cc1I)Cl 34a_100011356953_100011217306 [0,2,0,0,0,0|1,0,0]=3 7152 B12R1.69 FCCOc1ccc(cc1I)Cl 7a_100011356953_100011217306 [0,2,0,0,0,0|1,0,0]=3 7153 B12R1.69 FCCOc1ccc(cc1I)F 34a_100012355409_100011217306 [0,2,0,0,0,0|1,0,0]=3 7154 B12R1.69 FCCOc1ccc(cc1I)F 7a_100012355409_100011217306 [0,2,0,0,0,0|1,0,0]=3 7155 B12R1.69 FCCOc1ccc(cc1I)I 7a_100010001573_100011217306 [0,2,0,0,0,0|1,0,0]=3 7156 B12R1.69 FCCOc1ccc(nc1Br)Br 34a_100009999766_100011217306 [0,2,0,0,0,0|2,0,0]=4 7157 B12R1.69 FCCOc1ccc(nc1Br)Br 7a_100009999766_100011217306 [0,2,0,0,0,0|2,0,0]=4 7158 B12R1.69 FCCOc1ccc(nc1Br)Cl 34a_100010219353_100011217306 [0,2,0,0,0,0|2,0,0]=4 7159 B12R1.69 FCCOc1ccc(nc1Br)Cl 7a_100010219353_100011217306 [0,2,0,0,0,0|2,0,0]=4 7160 B12R1.69 FCCOc1ccc(nc1Br)F 34a_100009887730_100011217306 [0,2,0,0,0,0|2,0,0]=4 7161 B12R1.69 FCCOc1ccc(nc1Br)F 7a_100009887730_100011217306 [0,2,0,0,0,0|2,0,0]=4 7162 B12R1.69 FCCOc1ccc(nc1Br)I 34a_100000725334_100011217306 [0,2,0,0,0,0|2,0,0]=4 7163 B12R1.69 FCCOc1ccc(nc1Br)I 7a_100000725334_100011217306 [0,2,0,0,0,0|2,0,0]=4 7164 B12R1.69 FCCOc1ccc(nc1Cl)Br 34a_100010246206_100011217306 [0,2,0,0,0,0|2,0,0]=4 7165 B12R1.69 FCCOc1ccc(nc1Cl)Br 7a_100010246206_100011217306 [0,2,0,0,0,0|2,0,0]=4 7166 B12R1.69 FCCOc1ccc(nc1Cl)Cl 34a_100000101165_100011217306 [0,2,0,0,0,0|2,0,0]=4 7167 B12R1.69 FCCOc1ccc(nc1Cl)Cl 7a_100000101165_100011217306 [0,2,0,0,0,0|2,0,0]=4 7168 B12R1.69 FCCOc1ccc(nc1Cl)I 34a_100000721234_100011217306 [0,2,0,0,0,0|2,0,0]=4 7169 B12R1.69 FCCOc1ccc(nc1Cl)I 7a_100000721234_100011217306 [0,2,0,0,0,0|2,0,0]=4 7170 B12R1.69 FCCOc1ccc(nc1F)Br 34a_100009819667_100011217306 [0,2,0,0,0,0|2,0,0]=4 7171 B12R1.69 FCCOc1ccc(nc1F)Br 7a_100009819667_100011217306 [0,2,0,0,0,0|2,0,0]=4 7172 B12R1.69 FCCOc1ccc(nc1F)Cl 34a_100009880201_100011217306 [0,2,0,0,0,0|2,0,0]=4 7173 B12R1.69 FCCOc1ccc(nc1F)Cl 7a_100009880201_100011217306 [0,2,0,0,0,0|2,0,0]=4 7174 B12R1.69 FCCOc1ccc(nc1F)F 34a_100000101184_100011217306 [0,2,0,0,0,0|2,0,0]=4 7175 B12R1.69 FCCOc1ccc(nc1F)F 7a_100000101184_100011217306 [0,2,0,0,0,0|2,0,0]=4 7176 B12R1.69 FCCOc1ccc(nc1I)Br 34a_100010253912_100011217306 [0,2,0,0,0,0|2,0,0]=4 7177 B12R1.69 FCCOc1ccc(nc1I)Br 7a_100010253912_100011217306 [0,2,0,0,0,0|2,0,0]=4 7178 B12R1.69 FCCOc1ccc(nc1I)Cl 34a_100000696390_100011217306 [0,2,0,0,0,0|2,0,0]=4 7179 B12R1.69 FCCOc1ccc(nc1I)Cl 7a_100000696390_100011217306 [0,2,0,0,0,0|2,0,0]=4 7180 B12R1.69 FCCOc1ccc(nc1I)F 34a_100010382442_100011217306 [0,2,0,0,0,0|2,0,0]=4 7181 B12R1.69 FCCOc1ccc(nc1I)F 7a_100010382442_100011217306 [0,2,0,0,0,0|2,0,0]=4 7182 B12R1.69 FCCOc1cnc(cc1Cl)Cl 34a_100009868576_100011217306 [0,2,0,0,0,0|2,0,0]=4 7183 B12R1.69 FCCOc1cnc(cc1Cl)Cl 7a_100009868576_100011217306 [0,2,0,0,0,0|2,0,0]=4 7184 B12R1.69 FCCOc1cnc(cc1F)F 34a_100009885687_100011217306 [0,2,0,0,0,0|2,0,0]=4 7185 B12R1.69 FCCOc1cnc(cc1F)F 7a_100009885687_100011217306 [0,2,0,0,0,0|2,0,0]=4 7186 B12R1.69 FCCOc1cnc(cc1I)Cl 34a_100000698892_100011217306 [0,2,0,0,0,0|2,0,0]=4 7187 B12R1.69 FCCOc1cnc(cc1I)Cl 7a_100000698892_100011217306 [0,2,0,0,0,0|2,0,0]=4 7188 B12R1.69 FCCOc1ncc(cc1Br)Br 34a_100000701035_100011217306 [0,2,0,0,0,0|2,0,0]=4 7189 B12R1.69 FCCOc1ncc(cc1Cl)Br 34a_100012339560_100011217306 [0,2,0,0,0,0|2,0,0]=4 7190 B12R1.69 FCCOc1ncc(cc1Cl)F 34a_100009847679_100011217306 [0,2,0,0,0,0|2,0,0]=4 7191 B12R1.69 FCCOc1ncc(cc1F)Cl 34a_100011998252_100011217306 [0,2,0,0,0,0|2,0,0]=4 7192 B12R1.69 FCCOc1ncc(cc1F)F 34a_100012025737_100011217306 [0,2,0,0,0,0|2,0,0]=4 7193 B12R1.69 FCCSc1ccc(cc1Br)Br 62a_100011217306_100011484698 [0,2,0,0,0,0|1,1,0]=4 7194 B12R1.69 FCCSc1ccc(cc1Br)Br 62a_100011484698_100011217306 [0,2,0,0,0,0|1,1,0]=4 7195 B12R1.69 FCCSc1ccc(cc1Br)Cl 62a_100011217306_100011219703 [0,2,0,0,0,0|1,1,0]=4 7196 B12R1.69 FCCSc1ccc(cc1Br)Cl 62a_100011219703_100011217306 [0,2,0,0,0,0|1,1,0]=4 7197 B12R1.69 FCCSc1ccc(cc1Br)F 62a_100011217111_100011217306 [0,2,0,0,0,0|1,1,0]=4 7198 B12R1.69 FCCSc1ccc(cc1Br)F 62a_100011217306_100011217111 [0,2,0,0,0,0|1,1,0]=4 7199 B12R1.69 FCCSc1ccc(cc1Cl)Br 62a_100011216062_100011217306 [0,2,0,0,0,0|1,1,0]=4 7200 B12R1.69 FCCSc1ccc(cc1Cl)Br 62a_100011217306_100011216062 [0,2,0,0,0,0|1,1,0]=4 7201 B12R1.69 FCCSc1ccc(cc1Cl)Cl 62a_100000699841_100011217306 [0,2,0,0,0,0|1,1,0]=4 7202 B12R1.69 FCCSc1ccc(cc1Cl)Cl 62a_100011217306_100000699841 [0,2,0,0,0,0|1,1,0]=4 7203 B12R1.69 FCCSc1ccc(cc1Cl)F 62a_100000733362_100011217306 [0,2,0,0,0,0|1,1,0]=4 7204 B12R1.69 FCCSc1ccc(cc1Cl)F 62a_100011217306_100000733362 [0,2,0,0,0,0|1,1,0]=4 7205 B12R1.69 FCCSc1ccc(cc1F)Br 62a_100009814013_100011217306 [0,2,0,0,0,0|1,1,0]=4 7206 B12R1.69 FCCSc1ccc(cc1F)Br 62a_100011217306_100009814013 [0,2,0,0,0,0|1,1,0]=4 7207 B12R1.69 FCCSc1ccc(cc1F)Cl 62a_100011216042_100011217306 [0,2,0,0,0,0|1,1,0]=4 7208 B12R1.69 FCCSc1ccc(cc1F)Cl 62a_100011217306_100011216042 [0,2,0,0,0,0|1,1,0]=4 7209 B12R1.69 FCCSc1ccc(cc1F)F 62a_100000750030_100011217306 [0,2,0,0,0,0|1,1,0]=4 7210 B12R1.69 FCCSc1ccc(cc1F)F 62a_100011217306_100000750030 [0,2,0,0,0,0|1,1,0]=4 7211 B12R1.69 N#CCOc1ccc(cc1Br)Br 7a_100000188717_100011215382 [0,2,0,0,0,0|1,0,1]=4 7212 B12R1.69 N#CCOc1ccc(cc1Br)Cl 7a_100000211998_100011215382 [0,2,0,0,0,0|1,0,1]=4 7213 B12R1.69 N#CCOc1ccc(cc1Br)F 7a_100000211999_100011215382 [0,2,0,0,0,0|1,0,1]=4 7214 B12R1.69 N#CCOc1ccc(cc1Br)I 7a_100012361655_100011215382 [0,2,0,0,0,0|1,0,1]=4 7215 B12R1.69 N#CCOc1ccc(cc1Br)N 7a_100011534360_100011215382 [0,2,0,0,0,0|1,0,1]=4 7216 B12R1.69 N#CCOc1ccc(cc1Cl)Br 7a_100000186472_100011215382 [0,2,0,0,0,0|1,0,1]=4 7217 B12R1.69 N#CCOc1ccc(cc1Cl)Cl 7a_100015191787_100011215382 [0,2,0,0,0,0|1,0,1]=4 7218 B12R1.69 N#CCOc1ccc(cc1Cl)F 7a_100000212004_100011215382 [0,2,0,0,0,0|1,0,1]=4 7219 B12R1.69 N#CCOc1ccc(cc1Cl)I 7a_100012360047_100011215382 [0,2,0,0,0,0|1,0,1]=4 7220 B12R1.69 N#CCOc1ccc(cc1Cl)N 7a_100000744943_100011215382 [0,2,0,0,0,0|1,0,1]=4 7221 B12R1.69 N#CCOc1ccc(cc1F)Br 7a_100000185481_100011215382 [0,2,0,0,0,0|1,0,1]=4 7222 B12R1.69 N#CCOc1ccc(cc1F)Cl 7a_100000230166_100011215382 [0,2,0,0,0,0|1,0,1]=4 7223 B12R1.69 N#CCOc1ccc(cc1F)F 7a_100000230127_100011215382 [0,2,0,0,0,0|1,0,1]=4 7224 B12R1.69 N#CCOc1ccc(cc1F)I 7a_100011356965_100011215382 [0,2,0,0,0,0|1,0,1]=4 7225 B12R1.69 N#CCOc1ccc(cc1F)N 7a_100011220035_100011215382 [0,2,0,0,0,0|1,0,1]=4 7226 B12R1.69 N#CCOc1ccc(cc1I)Br 7a_100012355227_100011215382 [0,2,0,0,0,0|1,0,1]=4 7227 B12R1.69 N#CCOc1ccc(cc1I)Cl 7a_100011356953_100011215382 [0,2,0,0,0,0|1,0,1]=4 7228 B12R1.69 N#CCOc1ccc(cc1I)F 7a_100012355409_100011215382 [0,2,0,0,0,0|1,0,1]=4 7229 B12R1.69 N#CCOc1ccc(cc1I)I 7a_100010001573_100011215382 [0,2,0,0,0,0|1,0,1]=4 7230 B12R1.69 N#CCOc1ccc(cc1N)Br 7a_100000752626_100011215382 [0,2,0,0,0,0|1,0,1]=4 7231 B12R1.69 N#CCOc1ccc(cc1N)Cl 7a_100000210500_100011215382 [0,2,0,0,0,0|1,0,1]=4 7232 B12R1.69 N#CCOc1ccc(cc1N)F 7a_100000759472_100011215382 [0,2,0,0,0,0|1,0,1]=4 7233 B12R1.69 N#CCOc1ccc(cc1N)I 7a_100000753495_100011215382 [0,2,0,0,0,0|1,0,1]=4 7234 B12R1.69 Nc1[nH]c(=O)ccc1SCCO 62a_100009884077_100000211926 [0,2,0,0,0,0|1,1,0]=4 7235 B12R1.69 Nc1cc(c(cn1)SCCO)Br 62a_100000211926_100010074611 [0,2,0,0,0,0|1,1,0]=4 7236 B12R1.69 Nc1cc(c(cn1)SCCO)Br 62a_100010074611_100000211926 [0,2,0,0,0,0|1,1,0]=4 7237 B12R1.69 Nc1cc(c(cn1)SCCO)Cl 62a_100000211926_100000694920 [0,2,0,0,0,0|1,1,0]=4 7238 B12R1.69 Nc1cc(c(cn1)SCCO)Cl 62a_100000694920_100000211926 [0,2,0,0,0,0|1,1,0]=4 7239 B12R1.69 Nc1cc(c(cn1)SCCO)F 62a_100000211926_100009844730 [0,2,0,0,0,0|1,1,0]=4 7240 B12R1.69 Nc1cc(c(cn1)SCCO)F 62a_100009844730_100000211926 [0,2,0,0,0,0|1,1,0]=4 7241 B12R1.69 Nc1cc(c(cn1)SCCO)N 62a_100000211926_200009857908 [0,2,0,0,0,0|1,1,0]=4 7242 B12R1.69 Nc1cc(c(cn1)SCCO)N 62a_200009857908_100000211926 [0,2,0,0,0,0|1,1,0]=4 7243 B12R1.69 Nc1cc(ccc1OCC=O)Br 34a_100000752626_200009817547 [0,2,0,0,0,0|0,0,2]=4 7244 B12R1.69 Nc1cc(ccc1OCC=O)Br 7a_100000752626_200015260668 [0,2,0,0,0,0|0,0,2]=4 7245 B12R1.69 Nc1cc(ccc1OCC=O)Cl 34a_100000210500_200009817547 [0,2,0,0,0,0|0,0,2]=4 7246 B12R1.69 Nc1cc(ccc1OCC=O)Cl 7a_100000210500_200015260668 [0,2,0,0,0,0|0,0,2]=4 7247 B12R1.69 Nc1cc(ccc1OCC=O)F 34a_100000759472_200009817547 [0,2,0,0,0,0|0,0,2]=4 7248 B12R1.69 Nc1cc(ccc1OCC=O)F 7a_100000759472_200015260668 [0,2,0,0,0,0|0,0,2]=4 7249 B12R1.69 Nc1cc(ccc1OCC=O)I 34a_100000753495_200009817547 [0,2,0,0,0,0|0,0,2]=4 7250 B12R1.69 Nc1cc(ccc1OCC=O)I 7a_100000753495_200015260668 [0,2,0,0,0,0|0,0,2]=4 7251 B12R1.69 Nc1cc(ccc1OCCF)Br 34a_100000752626_100011217306 [0,2,0,0,0,0|1,0,0]=3 7252 B12R1.69 Nc1cc(ccc1OCCF)Br 7a_100000752626_100011217306 [0,2,0,0,0,0|1,0,0]=3 7253 B12R1.69 Nc1cc(ccc1OCCF)Cl 34a_100000210500_100011217306 [0,2,0,0,0,0|1,0,0]=3 7254 B12R1.69 Nc1cc(ccc1OCCF)Cl 7a_100000210500_100011217306 [0,2,0,0,0,0|1,0,0]=3 7255 B12R1.69 Nc1cc(ccc1OCCF)F 34a_100000759472_100011217306 [0,2,0,0,0,0|1,0,0]=3 7256 B12R1.69 Nc1cc(ccc1OCCF)F 7a_100000759472_100011217306 [0,2,0,0,0,0|1,0,0]=3 7257 B12R1.69 Nc1cc(ccc1OCCF)I 34a_100000753495_100011217306 [0,2,0,0,0,0|1,0,0]=3 7258 B12R1.69 Nc1cc(ccc1OCCF)I 7a_100000753495_100011217306 [0,2,0,0,0,0|1,0,0]=3 7259 B12R1.69 Nc1cc(ccc1OCCO)Br 34a_100000752626_100000211926 [0,2,0,0,0,0|0,0,0]=2 7260 B12R1.69 Nc1cc(ccc1OCCO)Br 7a_100000752626_100000211926 [0,2,0,0,0,0|0,0,0]=2 7261 B12R1.69 Nc1cc(ccc1OCCO)Cl 34a_100000210500_100000211926 [0,2,0,0,0,0|0,0,0]=2 7262 B12R1.69 Nc1cc(ccc1OCCO)Cl 7a_100000210500_100000211926 [0,2,0,0,0,0|0,0,0]=2 7263 B12R1.69 Nc1cc(ccc1OCCO)F 34a_100000759472_100000211926 [0,2,0,0,0,0|0,0,0]=2 7264 B12R1.69 Nc1cc(ccc1OCCO)F 7a_100000759472_100000211926 [0,2,0,0,0,0|0,0,0]=2 7265 B12R1.69 Nc1cc(ccc1OCCO)I 34a_100000753495_100000211926 [0,2,0,0,0,0|0,0,0]=2 7266 B12R1.69 Nc1cc(ccc1OCCO)I 7a_100000753495_100000211926 [0,2,0,0,0,0|0,0,0]=2 7267 B12R1.69 Nc1cc(ccc1SCCF)Br 62a_100000743836_100011217306 [0,2,0,0,0,0|1,1,0]=4 7268 B12R1.69 Nc1cc(ccc1SCCF)Br 62a_100011217306_100000743836 [0,2,0,0,0,0|1,1,0]=4 7269 B12R1.69 Nc1cc(ccc1SCCF)Cl 62a_100000761886_100011217306 [0,2,0,0,0,0|1,1,0]=4 7270 B12R1.69 Nc1cc(ccc1SCCF)Cl 62a_100011217306_100000761886 [0,2,0,0,0,0|1,1,0]=4 7271 B12R1.69 Nc1cc(ccc1SCCF)F 62a_100000687223_100011217306 [0,2,0,0,0,0|1,1,0]=4 7272 B12R1.69 Nc1cc(ccc1SCCF)F 62a_100011217306_100000687223 [0,2,0,0,0,0|1,1,0]=4 7273 B12R1.69 Nc1cc(ccc1SCCF)O 62a_100011217306_100011999798 [0,2,0,0,0,0|1,1,0]=4 7274 B12R1.69 Nc1cc(ccc1SCCF)O 62a_100011999798_100011217306 [0,2,0,0,0,0|1,1,0]=4 7275 B12R1.69 Nc1cc(ccc1SCCO)Br 62a_100000211926_100000743836 [0,2,0,0,0,0|0,1,0]=3 7276 B12R1.69 Nc1cc(ccc1SCCO)Br 62a_100000743836_100000211926 [0,2,0,0,0,0|0,1,0]=3 7277 B12R1.69 Nc1cc(ccc1SCCO)Cl 62a_100000211926_100000761886 [0,2,0,0,0,0|0,1,0]=3 7278 B12R1.69 Nc1cc(ccc1SCCO)Cl 62a_100000761886_100000211926 [0,2,0,0,0,0|0,1,0]=3 7279 B12R1.69 Nc1cc(ccc1SCCO)F 62a_100000211926_100000687223 [0,2,0,0,0,0|0,1,0]=3 7280 B12R1.69 Nc1cc(ccc1SCCO)F 62a_100000687223_100000211926 [0,2,0,0,0,0|0,1,0]=3 7281 B12R1.69 Nc1cc(ccc1SCCO)O 62a_100000211926_100011999798 [0,2,0,0,0,0|0,1,0]=3 7282 B12R1.69 Nc1cc(ccc1SCCO)O 62a_100011999798_100000211926 [0,2,0,0,0,0|0,1,0]=3 7283 B12R1.69 Nc1cc(cnc1OCCF)Br 34a_100000743729_100011217306 [0,2,0,0,0,0|2,0,0]=4 7284 B12R1.69 Nc1cc(cnc1OCCF)Cl 34a_100011998249_100011217306 [0,2,0,0,0,0|2,0,0]=4 7285 B12R1.69 Nc1cc(cnc1OCCO)Br 34a_100000743729_100000211926 [0,2,0,0,0,0|1,0,0]=3 7286 B12R1.69 Nc1cc(cnc1OCCO)Cl 34a_100011998249_100000211926 [0,2,0,0,0,0|1,0,0]=3 7287 B12R1.69 Nc1cc(cnc1SCCO)Br 62a_100000211926_100010090555 [0,2,0,0,0,0|1,1,0]=4 7288 B12R1.69 Nc1cc(cnc1SCCO)Br 62a_100010090555_100000211926 [0,2,0,0,0,0|1,1,0]=4 7289 B12R1.69 Nc1cc(cnc1SCCO)F 62a_100000211926_100009817643 [0,2,0,0,0,0|1,1,0]=4 7290 B12R1.69 Nc1cc(cnc1SCCO)F 62a_100009817643_100000211926 [0,2,0,0,0,0|1,1,0]=4 7291 B12R1.69 Nc1cc(ncc1OCCF)Br 34a_100009819941_100011217306 [0,2,0,0,0,0|2,0,0]=4 7292 B12R1.69 Nc1cc(ncc1OCCF)Br 7a_100009819941_100011217306 [0,2,0,0,0,0|2,0,0]=4 7293 B12R1.69 Nc1cc(ncc1OCCO)Br 34a_100009819941_100000211926 [0,2,0,0,0,0|1,0,0]=3 7294 B12R1.69 Nc1cc(ncc1OCCO)Br 7a_100009819941_100000211926 [0,2,0,0,0,0|1,0,0]=3 7295 B12R1.69 Nc1cc(ncc1SCCO)Cl 62a_100000211926_100010209552 [0,2,0,0,0,0|1,1,0]=4 7296 B12R1.69 Nc1cc(ncc1SCCO)Cl 62a_100010209552_100000211926 [0,2,0,0,0,0|1,1,0]=4 7297 B12R1.69 Nc1ccc(c(c1)Br)OCC=O 34a_100011534360_200009817547 [0,2,0,0,0,0|0,0,2]=4 7298 B12R1.69 Nc1ccc(c(c1)Br)OCC=O 7a_100011534360_200015260668 [0,2,0,0,0,0|0,0,2]=4 7299 B12R1.69 Nc1ccc(c(c1)Br)OCCF 34a_100011534360_100011217306 [0,2,0,0,0,0|1,0,0]=3 7300 B12R1.69 Nc1ccc(c(c1)Br)OCCF 7a_100011534360_100011217306 [0,2,0,0,0,0|1,0,0]=3 7301 B12R1.69 Nc1ccc(c(c1)Br)OCCO 34a_100011534360_100000211926 [0,2,0,0,0,0|0,0,0]=2 7302 B12R1.69 Nc1ccc(c(c1)Br)OCCO 7a_100011534360_100000211926 [0,2,0,0,0,0|0,0,0]=2 7303 B12R1.69 Nc1ccc(c(c1)Br)SCCF 62a_100000750458_100011217306 [0,2,0,0,0,0|1,1,0]=4 7304 B12R1.69 Nc1ccc(c(c1)Br)SCCF 62a_100011217306_100000750458 [0,2,0,0,0,0|1,1,0]=4 7305 B12R1.69 Nc1ccc(c(c1)Br)SCCO 62a_100000211926_100000750458 [0,2,0,0,0,0|0,1,0]=3 7306 B12R1.69 Nc1ccc(c(c1)Br)SCCO 62a_100000750458_100000211926 [0,2,0,0,0,0|0,1,0]=3 7307 B12R1.69 Nc1ccc(c(c1)Cl)OCC=O 34a_100000744943_200009817547 [0,2,0,0,0,0|0,0,2]=4 7308 B12R1.69 Nc1ccc(c(c1)Cl)OCC=O 7a_100000744943_200015260668 [0,2,0,0,0,0|0,0,2]=4 7309 B12R1.69 Nc1ccc(c(c1)Cl)OCCF 34a_100000744943_100011217306 [0,2,0,0,0,0|1,0,0]=3 7310 B12R1.69 Nc1ccc(c(c1)Cl)OCCF 7a_100000744943_100011217306 [0,2,0,0,0,0|1,0,0]=3 7311 B12R1.69 Nc1ccc(c(c1)Cl)OCCO 34a_100000744943_100000211926 [0,2,0,0,0,0|0,0,0]=2 7312 B12R1.69 Nc1ccc(c(c1)Cl)OCCO 7a_100000744943_100000211926 [0,2,0,0,0,0|0,0,0]=2 7313 B12R1.69 Nc1ccc(c(c1)Cl)SCCF 62a_100000761885_100011217306 [0,2,0,0,0,0|1,1,0]=4 7314 B12R1.69 Nc1ccc(c(c1)Cl)SCCF 62a_100011217306_100000761885 [0,2,0,0,0,0|1,1,0]=4 7315 B12R1.69 Nc1ccc(c(c1)Cl)SCCO 62a_100000211926_100000761885 [0,2,0,0,0,0|0,1,0]=3 7316 B12R1.69 Nc1ccc(c(c1)Cl)SCCO 62a_100000761885_100000211926 [0,2,0,0,0,0|0,1,0]=3 7317 B12R1.69 Nc1ccc(c(c1)F)OCC=O 34a_100011220035_200009817547 [0,2,0,0,0,0|0,0,2]=4 7318 B12R1.69 Nc1ccc(c(c1)F)OCC=O 7a_100011220035_200015260668 [0,2,0,0,0,0|0,0,2]=4 7319 B12R1.69 Nc1ccc(c(c1)F)OCCF 34a_100011220035_100011217306 [0,2,0,0,0,0|1,0,0]=3 7320 B12R1.69 Nc1ccc(c(c1)F)OCCF 7a_100011220035_100011217306 [0,2,0,0,0,0|1,0,0]=3 7321 B12R1.69 Nc1ccc(c(c1)F)OCCO 34a_100011220035_100000211926 [0,2,0,0,0,0|0,0,0]=2 7322 B12R1.69 Nc1ccc(c(c1)F)OCCO 7a_100011220035_100000211926 [0,2,0,0,0,0|0,0,0]=2 7323 B12R1.69 Nc1ccc(c(c1)F)SCCF 62a_100011217306_100011356925 [0,2,0,0,0,0|1,1,0]=4 7324 B12R1.69 Nc1ccc(c(c1)F)SCCF 62a_100011356925_100011217306 [0,2,0,0,0,0|1,1,0]=4 7325 B12R1.69 Nc1ccc(c(c1)F)SCCO 62a_100000211926_100011356925 [0,2,0,0,0,0|0,1,0]=3 7326 B12R1.69 Nc1ccc(c(c1)F)SCCO 62a_100011356925_100000211926 [0,2,0,0,0,0|0,1,0]=3 7327 B12R1.69 Nc1ccc(c(c1)N)OCC=O 34a_100000725306_200009817547 [0,2,0,0,0,0|0,0,2]=4 7328 B12R1.69 Nc1ccc(c(c1)N)OCCF 34a_100000725306_100011217306 [0,2,0,0,0,0|1,0,0]=3 7329 B12R1.69 Nc1ccc(c(c1)N)OCCO 34a_100000725306_100000211926 [0,2,0,0,0,0|0,0,0]=2 7330 B12R1.69 Nc1ccc(c(c1)N)SCCF 62a_100011217306_200012175722 [0,2,0,0,0,0|1,1,0]=4 7331 B12R1.69 Nc1ccc(c(c1)N)SCCF 62a_200012175722_100011217306 [0,2,0,0,0,0|1,1,0]=4 7332 B12R1.69 Nc1ccc(c(c1)N)SCCO 62a_100000211926_200012175722 [0,2,0,0,0,0|0,1,0]=3 7333 B12R1.69 Nc1ccc(c(c1)N)SCCO 62a_200012175722_100000211926 [0,2,0,0,0,0|0,1,0]=3 7334 B12R1.69 Nc1ccc(c(n1)Br)SCCO 62a_100000211926_100010734177 [0,2,0,0,0,0|1,1,0]=4 7335 B12R1.69 Nc1ccc(c(n1)Br)SCCO 62a_100010734177_100000211926 [0,2,0,0,0,0|1,1,0]=4 7336 B12R1.69 Nc1ccc(c(n1)Cl)SCCO 62a_100000211926_100010270343 [0,2,0,0,0,0|1,1,0]=4 7337 B12R1.69 Nc1ccc(c(n1)Cl)SCCO 62a_100010270343_100000211926 [0,2,0,0,0,0|1,1,0]=4 7338 B12R1.69 Nc1ccc(c(n1)F)SCCO 62a_100000211926_100009882772 [0,2,0,0,0,0|1,1,0]=4 7339 B12R1.69 Nc1ccc(c(n1)F)SCCO 62a_100009882772_100000211926 [0,2,0,0,0,0|1,1,0]=4 7340 B12R1.69 Nc1ccc(c(n1)N)SCCO 62a_100011356871_100000211926 [0,2,0,0,0,0|1,1,0]=4 7341 B12R1.69 Nc1cnc(c(c1)F)SCCO 62a_100000211926_100010280766 [0,2,0,0,0,0|1,1,0]=4 7342 B12R1.69 Nc1cnc(c(c1)F)SCCO 62a_100010280766_100000211926 [0,2,0,0,0,0|1,1,0]=4 7343 B12R1.69 Nc1cnc(c(c1)N)SCCO 62a_100000211926_200000093520 [0,2,0,0,0,0|1,1,0]=4 7344 B12R1.69 Nc1cnc(c(c1)N)SCCO 62a_200000093520_100000211926 [0,2,0,0,0,0|1,1,0]=4 7345 B12R1.69 Nc1nc(ccc1OCCF)Br 34a_100000685527_100011217306 [0,2,0,0,0,0|2,0,0]=4 7346 B12R1.69 Nc1nc(ccc1OCCF)Br 7a_100000685527_100011217306 [0,2,0,0,0,0|2,0,0]=4 7347 B12R1.69 Nc1nc(ccc1OCCF)Cl 34a_100000717809_100011217306 [0,2,0,0,0,0|2,0,0]=4 7348 B12R1.69 Nc1nc(ccc1OCCF)Cl 7a_100000717809_100011217306 [0,2,0,0,0,0|2,0,0]=4 7349 B12R1.69 Nc1nc(ccc1OCCO)Br 34a_100000685527_100000211926 [0,2,0,0,0,0|1,0,0]=3 7350 B12R1.69 Nc1nc(ccc1OCCO)Br 7a_100000685527_100000211926 [0,2,0,0,0,0|1,0,0]=3 7351 B12R1.69 Nc1nc(ccc1OCCO)Cl 34a_100000717809_100000211926 [0,2,0,0,0,0|1,0,0]=3 7352 B12R1.69 Nc1nc(ccc1OCCO)Cl 7a_100000717809_100000211926 [0,2,0,0,0,0|1,0,0]=3 7353 B12R1.69 Nc1nc(ccc1SCCO)Cl 62a_100000211926_100010171640 [0,2,0,0,0,0|1,1,0]=4 7354 B12R1.69 Nc1nc(ccc1SCCO)Cl 62a_100010171640_100000211926 [0,2,0,0,0,0|1,1,0]=4 7355 B12R1.69 Nc1nc(ccc1SCCO)F 62a_100000211926_100009854977 [0,2,0,0,0,0|1,1,0]=4 7356 B12R1.69 Nc1nc(ccc1SCCO)F 62a_100009854977_100000211926 [0,2,0,0,0,0|1,1,0]=4 7357 B12R1.69 Nc1ncc(c(n1)N)OCCO 7a_100025726691_100000211926 [0,2,0,0,0,0|2,0,0]=4 7358 B12R1.69 O=CCOc1ccc(cc1Br)Br 34a_100000188717_200009817547 [0,2,0,0,0,0|0,0,2]=4 7359 B12R1.69 O=CCOc1ccc(cc1Br)Br 7a_100000188717_200015260668 [0,2,0,0,0,0|0,0,2]=4 7360 B12R1.69 O=CCOc1ccc(cc1Br)Cl 34a_100000211998_200009817547 [0,2,0,0,0,0|0,0,2]=4 7361 B12R1.69 O=CCOc1ccc(cc1Br)Cl 7a_100000211998_200015260668 [0,2,0,0,0,0|0,0,2]=4 7362 B12R1.69 O=CCOc1ccc(cc1Br)F 34a_100000211999_200009817547 [0,2,0,0,0,0|0,0,2]=4 7363 B12R1.69 O=CCOc1ccc(cc1Br)F 7a_100000211999_200015260668 [0,2,0,0,0,0|0,0,2]=4 7364 B12R1.69 O=CCOc1ccc(cc1Br)I 34a_100012361655_200009817547 [0,2,0,0,0,0|0,0,2]=4 7365 B12R1.69 O=CCOc1ccc(cc1Br)I 7a_100012361655_200015260668 [0,2,0,0,0,0|0,0,2]=4 7366 B12R1.69 O=CCOc1ccc(cc1Cl)Br 34a_100000186472_200009817547 [0,2,0,0,0,0|0,0,2]=4 7367 B12R1.69 O=CCOc1ccc(cc1Cl)Br 7a_100000186472_200015260668 [0,2,0,0,0,0|0,0,2]=4 7368 B12R1.69 O=CCOc1ccc(cc1Cl)Cl 34a_100015191787_200009817547 [0,2,0,0,0,0|0,0,2]=4 7369 B12R1.69 O=CCOc1ccc(cc1Cl)Cl 7a_100015191787_200015260668 [0,2,0,0,0,0|0,0,2]=4 7370 B12R1.69 O=CCOc1ccc(cc1Cl)F 34a_100000212004_200009817547 [0,2,0,0,0,0|0,0,2]=4 7371 B12R1.69 O=CCOc1ccc(cc1Cl)F 7a_100000212004_200015260668 [0,2,0,0,0,0|0,0,2]=4 7372 B12R1.69 O=CCOc1ccc(cc1Cl)I 34a_100012360047_200009817547 [0,2,0,0,0,0|0,0,2]=4 7373 B12R1.69 O=CCOc1ccc(cc1Cl)I 7a_100012360047_200015260668 [0,2,0,0,0,0|0,0,2]=4 7374 B12R1.69 O=CCOc1ccc(cc1F)Br 34a_100000185481_200009817547 [0,2,0,0,0,0|0,0,2]=4 7375 B12R1.69 O=CCOc1ccc(cc1F)Br 7a_100000185481_200015260668 [0,2,0,0,0,0|0,0,2]=4 7376 B12R1.69 O=CCOc1ccc(cc1F)Cl 34a_100000230166_200009817547 [0,2,0,0,0,0|0,0,2]=4 7377 B12R1.69 O=CCOc1ccc(cc1F)Cl 7a_100000230166_200015260668 [0,2,0,0,0,0|0,0,2]=4 7378 B12R1.69 O=CCOc1ccc(cc1F)F 34a_100000230127_200009817547 [0,2,0,0,0,0|0,0,2]=4 7379 B12R1.69 O=CCOc1ccc(cc1F)F 7a_100000230127_200015260668 [0,2,0,0,0,0|0,0,2]=4 7380 B12R1.69 O=CCOc1ccc(cc1F)I 34a_100011356965_200009817547 [0,2,0,0,0,0|0,0,2]=4 7381 B12R1.69 O=CCOc1ccc(cc1F)I 7a_100011356965_200015260668 [0,2,0,0,0,0|0,0,2]=4 7382 B12R1.69 O=CCOc1ccc(cc1I)Br 34a_100012355227_200009817547 [0,2,0,0,0,0|0,0,2]=4 7383 B12R1.69 O=CCOc1ccc(cc1I)Br 7a_100012355227_200015260668 [0,2,0,0,0,0|0,0,2]=4 7384 B12R1.69 O=CCOc1ccc(cc1I)Cl 34a_100011356953_200009817547 [0,2,0,0,0,0|0,0,2]=4 7385 B12R1.69 O=CCOc1ccc(cc1I)Cl 7a_100011356953_200015260668 [0,2,0,0,0,0|0,0,2]=4 7386 B12R1.69 O=CCOc1ccc(cc1I)F 34a_100012355409_200009817547 [0,2,0,0,0,0|0,0,2]=4 7387 B12R1.69 O=CCOc1ccc(cc1I)F 7a_100012355409_200015260668 [0,2,0,0,0,0|0,0,2]=4 7388 B12R1.69 O=CCOc1ccc(cc1I)I 7a_100010001573_200015260668 [0,2,0,0,0,0|0,0,2]=4 7389 B12R1.69 O=c1cc(c(c[nH]1)SCCO)F 62a_100000211926_100015631685 [0,2,0,0,0,0|1,1,0]=4 7390 B12R1.69 O=c1cc(c(c[nH]1)SCCO)F 62a_100015631685_100000211926 [0,2,0,0,0,0|1,1,0]=4 7391 B12R1.69 OCCNc1ccc(cc1Br)Br 34a_100000211012_100000211926 [0,2,0,0,0,0|1,0,0]=3 7392 B12R1.69 OCCNc1ccc(cc1Br)Cl 34a_100000752454_100000211926 [0,2,0,0,0,0|1,0,0]=3 7393 B12R1.69 OCCNc1ccc(cc1Br)F 34a_100000738039_100000211926 [0,2,0,0,0,0|1,0,0]=3 7394 B12R1.69 OCCNc1ccc(cc1Br)O 34a_100012001276_100000211926 [0,2,0,0,0,0|1,0,0]=3 7395 B12R1.69 OCCNc1ccc(cc1Cl)Br 34a_100000211467_100000211926 [0,2,0,0,0,0|1,0,0]=3 7396 B12R1.69 OCCNc1ccc(cc1Cl)Cl 34a_100000185861_100000211926 [0,2,0,0,0,0|1,0,0]=3 7397 B12R1.69 OCCNc1ccc(cc1Cl)F 34a_100000212003_100000211926 [0,2,0,0,0,0|1,0,0]=3 7398 B12R1.69 OCCNc1ccc(cc1Cl)I 34a_100011218065_100000211926 [0,2,0,0,0,0|1,0,0]=3 7399 B12R1.69 OCCNc1ccc(cc1Cl)O 34a_100011215599_100000211926 [0,2,0,0,0,0|1,0,0]=3 7400 B12R1.69 OCCNc1ccc(cc1F)Br 34a_100000210722_100000211926 [0,2,0,0,0,0|1,0,0]=3 7401 B12R1.69 OCCNc1ccc(cc1F)Cl 34a_100000211020_100000211926 [0,2,0,0,0,0|1,0,0]=3 7402 B12R1.69 OCCNc1ccc(cc1F)F 34a_100000210720_100000211926 [0,2,0,0,0,0|1,0,0]=3 7403 B12R1.69 OCCNc1ccc(cc1F)I 34a_100011215594_100000211926 [0,2,0,0,0,0|1,0,0]=3 7404 B12R1.69 OCCNc1ccc(cc1F)O 34a_100000759473_100000211926 [0,2,0,0,0,0|1,0,0]=3 7405 B12R1.69 OCCNc1ccc(cc1I)Br 34a_100000187925_100000211926 [0,2,0,0,0,0|1,0,0]=3 7406 B12R1.69 OCCNc1ccc(cc1I)Cl 34a_100000761889_100000211926 [0,2,0,0,0,0|1,0,0]=3 7407 B12R1.69 OCCNc1ccc(cc1I)F 34a_100000760547_100000211926 [0,2,0,0,0,0|1,0,0]=3 7408 B12R1.69 OCCNc1ccc(cc1I)O 34a_100010084370_100000211926 [0,2,0,0,0,0|1,0,0]=3 7409 B12R1.69 OCCNc1ccc(cc1O)Br 34a_100000739049_100000211926 [0,2,0,0,0,0|1,0,0]=3 7410 B12R1.69 OCCNc1ccc(cc1O)Cl 34a_100000185728_100000211926 [0,2,0,0,0,0|1,0,0]=3 7411 B12R1.69 OCCNc1ccc(cc1O)F 34a_100000753323_100000211926 [0,2,0,0,0,0|1,0,0]=3 7412 B12R1.69 OCCNc1ccc(cc1O)O 34a_100000106777_100000211926 [0,2,0,0,0,0|1,0,0]=3 7413 B12R1.69 OCCOc1ccc(cc1Br)Br 34a_100000188717_100000211926 [0,2,0,0,0,0|0,0,0]=2 7414 B12R1.69 OCCOc1ccc(cc1Br)Br 7a_100000188717_100000211926 [0,2,0,0,0,0|0,0,0]=2 7415 B12R1.69 OCCOc1ccc(cc1Br)Cl 34a_100000211998_100000211926 [0,2,0,0,0,0|0,0,0]=2 7416 B12R1.69 OCCOc1ccc(cc1Br)Cl 7a_100000211998_100000211926 [0,2,0,0,0,0|0,0,0]=2 7417 B12R1.69 OCCOc1ccc(cc1Br)F 34a_100000211999_100000211926 [0,2,0,0,0,0|0,0,0]=2 7418 B12R1.69 OCCOc1ccc(cc1Br)F 7a_100000211999_100000211926 [0,2,0,0,0,0|0,0,0]=2 7419 B12R1.69 OCCOc1ccc(cc1Br)I 34a_100012361655_100000211926 [0,2,0,0,0,0|0,0,0]=2 7420 B12R1.69 OCCOc1ccc(cc1Br)I 7a_100012361655_100000211926 [0,2,0,0,0,0|0,0,0]=2 7421 B12R1.69 OCCOc1ccc(cc1Cl)Br 34a_100000186472_100000211926 [0,2,0,0,0,0|0,0,0]=2 7422 B12R1.69 OCCOc1ccc(cc1Cl)Br 7a_100000186472_100000211926 [0,2,0,0,0,0|0,0,0]=2 7423 B12R1.69 OCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000211926 [0,2,0,0,0,0|0,0,0]=2 7424 B12R1.69 OCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000211926 [0,2,0,0,0,0|0,0,0]=2 7425 B12R1.69 OCCOc1ccc(cc1Cl)F 34a_100000212004_100000211926 [0,2,0,0,0,0|0,0,0]=2 7426 B12R1.69 OCCOc1ccc(cc1Cl)F 7a_100000212004_100000211926 [0,2,0,0,0,0|0,0,0]=2 7427 B12R1.69 OCCOc1ccc(cc1Cl)I 34a_100012360047_100000211926 [0,2,0,0,0,0|0,0,0]=2 7428 B12R1.69 OCCOc1ccc(cc1Cl)I 7a_100012360047_100000211926 [0,2,0,0,0,0|0,0,0]=2 7429 B12R1.69 OCCOc1ccc(cc1F)Br 34a_100000185481_100000211926 [0,2,0,0,0,0|0,0,0]=2 7430 B12R1.69 OCCOc1ccc(cc1F)Br 7a_100000185481_100000211926 [0,2,0,0,0,0|0,0,0]=2 7431 B12R1.69 OCCOc1ccc(cc1F)Cl 34a_100000230166_100000211926 [0,2,0,0,0,0|0,0,0]=2 7432 B12R1.69 OCCOc1ccc(cc1F)Cl 7a_100000230166_100000211926 [0,2,0,0,0,0|0,0,0]=2 7433 B12R1.69 OCCOc1ccc(cc1F)F 34a_100000230127_100000211926 [0,2,0,0,0,0|0,0,0]=2 7434 B12R1.69 OCCOc1ccc(cc1F)F 7a_100000230127_100000211926 [0,2,0,0,0,0|0,0,0]=2 7435 B12R1.69 OCCOc1ccc(cc1F)I 34a_100011356965_100000211926 [0,2,0,0,0,0|0,0,0]=2 7436 B12R1.69 OCCOc1ccc(cc1F)I 7a_100011356965_100000211926 [0,2,0,0,0,0|0,0,0]=2 7437 B12R1.69 OCCOc1ccc(cc1I)Br 34a_100012355227_100000211926 [0,2,0,0,0,0|0,0,0]=2 7438 B12R1.69 OCCOc1ccc(cc1I)Br 7a_100012355227_100000211926 [0,2,0,0,0,0|0,0,0]=2 7439 B12R1.69 OCCOc1ccc(cc1I)Cl 34a_100011356953_100000211926 [0,2,0,0,0,0|0,0,0]=2 7440 B12R1.69 OCCOc1ccc(cc1I)Cl 7a_100011356953_100000211926 [0,2,0,0,0,0|0,0,0]=2 7441 B12R1.69 OCCOc1ccc(cc1I)F 34a_100012355409_100000211926 [0,2,0,0,0,0|0,0,0]=2 7442 B12R1.69 OCCOc1ccc(cc1I)F 7a_100012355409_100000211926 [0,2,0,0,0,0|0,0,0]=2 7443 B12R1.69 OCCOc1ccc(cc1I)I 7a_100010001573_100000211926 [0,2,0,0,0,0|0,0,0]=2 7444 B12R1.69 OCCOc1ccc(nc1Br)Br 34a_100009999766_100000211926 [0,2,0,0,0,0|1,0,0]=3 7445 B12R1.69 OCCOc1ccc(nc1Br)Br 7a_100009999766_100000211926 [0,2,0,0,0,0|1,0,0]=3 7446 B12R1.69 OCCOc1ccc(nc1Br)Cl 34a_100010219353_100000211926 [0,2,0,0,0,0|1,0,0]=3 7447 B12R1.69 OCCOc1ccc(nc1Br)Cl 7a_100010219353_100000211926 [0,2,0,0,0,0|1,0,0]=3 7448 B12R1.69 OCCOc1ccc(nc1Br)F 34a_100009887730_100000211926 [0,2,0,0,0,0|1,0,0]=3 7449 B12R1.69 OCCOc1ccc(nc1Br)F 7a_100009887730_100000211926 [0,2,0,0,0,0|1,0,0]=3 7450 B12R1.69 OCCOc1ccc(nc1Br)I 34a_100000725334_100000211926 [0,2,0,0,0,0|1,0,0]=3 7451 B12R1.69 OCCOc1ccc(nc1Br)I 7a_100000725334_100000211926 [0,2,0,0,0,0|1,0,0]=3 7452 B12R1.69 OCCOc1ccc(nc1Cl)Br 34a_100010246206_100000211926 [0,2,0,0,0,0|1,0,0]=3 7453 B12R1.69 OCCOc1ccc(nc1Cl)Br 7a_100010246206_100000211926 [0,2,0,0,0,0|1,0,0]=3 7454 B12R1.69 OCCOc1ccc(nc1Cl)Cl 34a_100000101165_100000211926 [0,2,0,0,0,0|1,0,0]=3 7455 B12R1.69 OCCOc1ccc(nc1Cl)Cl 7a_100000101165_100000211926 [0,2,0,0,0,0|1,0,0]=3 7456 B12R1.69 OCCOc1ccc(nc1Cl)I 34a_100000721234_100000211926 [0,2,0,0,0,0|1,0,0]=3 7457 B12R1.69 OCCOc1ccc(nc1Cl)I 7a_100000721234_100000211926 [0,2,0,0,0,0|1,0,0]=3 7458 B12R1.69 OCCOc1ccc(nc1F)Br 34a_100009819667_100000211926 [0,2,0,0,0,0|1,0,0]=3 7459 B12R1.69 OCCOc1ccc(nc1F)Br 7a_100009819667_100000211926 [0,2,0,0,0,0|1,0,0]=3 7460 B12R1.69 OCCOc1ccc(nc1F)Cl 34a_100009880201_100000211926 [0,2,0,0,0,0|1,0,0]=3 7461 B12R1.69 OCCOc1ccc(nc1F)Cl 7a_100009880201_100000211926 [0,2,0,0,0,0|1,0,0]=3 7462 B12R1.69 OCCOc1ccc(nc1F)F 34a_100000101184_100000211926 [0,2,0,0,0,0|1,0,0]=3 7463 B12R1.69 OCCOc1ccc(nc1F)F 7a_100000101184_100000211926 [0,2,0,0,0,0|1,0,0]=3 7464 B12R1.69 OCCOc1ccc(nc1I)Br 34a_100010253912_100000211926 [0,2,0,0,0,0|1,0,0]=3 7465 B12R1.69 OCCOc1ccc(nc1I)Br 7a_100010253912_100000211926 [0,2,0,0,0,0|1,0,0]=3 7466 B12R1.69 OCCOc1ccc(nc1I)Cl 34a_100000696390_100000211926 [0,2,0,0,0,0|1,0,0]=3 7467 B12R1.69 OCCOc1ccc(nc1I)Cl 7a_100000696390_100000211926 [0,2,0,0,0,0|1,0,0]=3 7468 B12R1.69 OCCOc1ccc(nc1I)F 34a_100010382442_100000211926 [0,2,0,0,0,0|1,0,0]=3 7469 B12R1.69 OCCOc1ccc(nc1I)F 7a_100010382442_100000211926 [0,2,0,0,0,0|1,0,0]=3 7470 B12R1.69 OCCOc1cnc(cc1Cl)Cl 34a_100009868576_100000211926 [0,2,0,0,0,0|1,0,0]=3 7471 B12R1.69 OCCOc1cnc(cc1Cl)Cl 7a_100009868576_100000211926 [0,2,0,0,0,0|1,0,0]=3 7472 B12R1.69 OCCOc1cnc(cc1F)F 34a_100009885687_100000211926 [0,2,0,0,0,0|1,0,0]=3 7473 B12R1.69 OCCOc1cnc(cc1F)F 7a_100009885687_100000211926 [0,2,0,0,0,0|1,0,0]=3 7474 B12R1.69 OCCOc1cnc(cc1I)Cl 34a_100000698892_100000211926 [0,2,0,0,0,0|1,0,0]=3 7475 B12R1.69 OCCOc1cnc(cc1I)Cl 7a_100000698892_100000211926 [0,2,0,0,0,0|1,0,0]=3 7476 B12R1.69 OCCOc1cnc(nc1Cl)Cl 34a_100010725077_100000211926 [0,2,0,0,0,0|2,0,0]=4 7477 B12R1.69 OCCOc1cnc(nc1Cl)Cl 7a_100010725077_100000211926 [0,2,0,0,0,0|2,0,0]=4 7478 B12R1.69 OCCOc1ncc(cc1Br)Br 34a_100000701035_100000211926 [0,2,0,0,0,0|1,0,0]=3 7479 B12R1.69 OCCOc1ncc(cc1Cl)Br 34a_100012339560_100000211926 [0,2,0,0,0,0|1,0,0]=3 7480 B12R1.69 OCCOc1ncc(cc1Cl)F 34a_100009847679_100000211926 [0,2,0,0,0,0|1,0,0]=3 7481 B12R1.69 OCCOc1ncc(cc1F)Cl 34a_100011998252_100000211926 [0,2,0,0,0,0|1,0,0]=3 7482 B12R1.69 OCCOc1ncc(cc1F)F 34a_100012025737_100000211926 [0,2,0,0,0,0|1,0,0]=3 7483 B12R1.69 OCCOc1ncc(nc1Cl)Br 34a_100010734560_100000211926 [0,2,0,0,0,0|2,0,0]=4 7484 B12R1.69 OCCSc1ccc(cc1Br)Br 62a_100000211926_100011484698 [0,2,0,0,0,0|0,1,0]=3 7485 B12R1.69 OCCSc1ccc(cc1Br)Br 62a_100011484698_100000211926 [0,2,0,0,0,0|0,1,0]=3 7486 B12R1.69 OCCSc1ccc(cc1Br)Cl 62a_100000211926_100011219703 [0,2,0,0,0,0|0,1,0]=3 7487 B12R1.69 OCCSc1ccc(cc1Br)Cl 62a_100011219703_100000211926 [0,2,0,0,0,0|0,1,0]=3 7488 B12R1.69 OCCSc1ccc(cc1Br)F 62a_100000211926_100011217111 [0,2,0,0,0,0|0,1,0]=3 7489 B12R1.69 OCCSc1ccc(cc1Br)F 62a_100011217111_100000211926 [0,2,0,0,0,0|0,1,0]=3 7490 B12R1.69 OCCSc1ccc(cc1Br)O 62a_100000211926_100000701344 [0,2,0,0,0,0|0,1,0]=3 7491 B12R1.69 OCCSc1ccc(cc1Br)O 62a_100000701344_100000211926 [0,2,0,0,0,0|0,1,0]=3 7492 B12R1.69 OCCSc1ccc(cc1Cl)Br 62a_100000211926_100011216062 [0,2,0,0,0,0|0,1,0]=3 7493 B12R1.69 OCCSc1ccc(cc1Cl)Br 62a_100011216062_100000211926 [0,2,0,0,0,0|0,1,0]=3 7494 B12R1.69 OCCSc1ccc(cc1Cl)Cl 62a_100000211926_100000699841 [0,2,0,0,0,0|0,1,0]=3 7495 B12R1.69 OCCSc1ccc(cc1Cl)Cl 62a_100000699841_100000211926 [0,2,0,0,0,0|0,1,0]=3 7496 B12R1.69 OCCSc1ccc(cc1Cl)F 62a_100000211926_100000733362 [0,2,0,0,0,0|0,1,0]=3 7497 B12R1.69 OCCSc1ccc(cc1Cl)F 62a_100000733362_100000211926 [0,2,0,0,0,0|0,1,0]=3 7498 B12R1.69 OCCSc1ccc(cc1Cl)O 62a_100000047559_100000211926 [0,2,0,0,0,0|0,1,0]=3 7499 B12R1.69 OCCSc1ccc(cc1Cl)O 62a_100000211926_100000047559 [0,2,0,0,0,0|0,1,0]=3 7500 B12R1.69 OCCSc1ccc(cc1F)Br 62a_100000211926_100009814013 [0,2,0,0,0,0|0,1,0]=3 7501 B12R1.69 OCCSc1ccc(cc1F)Br 62a_100009814013_100000211926 [0,2,0,0,0,0|0,1,0]=3 7502 B12R1.69 OCCSc1ccc(cc1F)Cl 62a_100000211926_100011216042 [0,2,0,0,0,0|0,1,0]=3 7503 B12R1.69 OCCSc1ccc(cc1F)Cl 62a_100011216042_100000211926 [0,2,0,0,0,0|0,1,0]=3 7504 B12R1.69 OCCSc1ccc(cc1F)F 62a_100000211926_100000750030 [0,2,0,0,0,0|0,1,0]=3 7505 B12R1.69 OCCSc1ccc(cc1F)F 62a_100000750030_100000211926 [0,2,0,0,0,0|0,1,0]=3 7506 B12R1.69 OCCSc1ccc(cc1F)O 62a_100000211926_100000755031 [0,2,0,0,0,0|0,1,0]=3 7507 B12R1.69 OCCSc1ccc(cc1F)O 62a_100000755031_100000211926 [0,2,0,0,0,0|0,1,0]=3 7508 B12R1.69 OCCSc1ccc(cc1O)Br 62a_100000211926_100012344904 [0,2,0,0,0,0|0,1,0]=3 7509 B12R1.69 OCCSc1ccc(cc1O)Br 62a_100012344904_100000211926 [0,2,0,0,0,0|0,1,0]=3 7510 B12R1.69 OCCSc1ccc(cc1O)Cl 62a_100000050036_100000211926 [0,2,0,0,0,0|0,1,0]=3 7511 B12R1.69 OCCSc1ccc(cc1O)Cl 62a_100000211926_100000050036 [0,2,0,0,0,0|0,1,0]=3 7512 B12R1.69 OCCSc1ccc(cc1O)F 62a_100000211926_100000690578 [0,2,0,0,0,0|0,1,0]=3 7513 B12R1.69 OCCSc1ccc(cc1O)F 62a_100000690578_100000211926 [0,2,0,0,0,0|0,1,0]=3 7514 B12R1.69 OCCSc1ccc(cc1O)O 62a_100000211926_100009813921 [0,2,0,0,0,0|0,1,0]=3 7515 B12R1.69 OCCSc1ccc(nc1Cl)Br 62a_100000211926_100010246183 [0,2,0,0,0,0|1,1,0]=4 7516 B12R1.69 OCCSc1ccc(nc1Cl)Br 62a_100010246183_100000211926 [0,2,0,0,0,0|1,1,0]=4 7517 B12R1.69 OCCSc1ccc(nc1Cl)Cl 62a_100000211926_100000043682 [0,2,0,0,0,0|1,1,0]=4 7518 B12R1.69 OCCSc1ccc(nc1F)Cl 62a_100000211926_100010168078 [0,2,0,0,0,0|1,1,0]=4 7519 B12R1.69 OCCSc1ccc(nc1F)Cl 62a_100010168078_100000211926 [0,2,0,0,0,0|1,1,0]=4 7520 B12R1.69 OCCSc1ccc(nc1F)F 62a_100000070099_100000211926 [0,2,0,0,0,0|1,1,0]=4 7521 B12R1.69 OCCSc1ccc(nc1F)F 62a_100000211926_100000070099 [0,2,0,0,0,0|1,1,0]=4 7522 B12R1.69 OCCSc1ccc(nc1F)O 62a_100000211926_100009879308 [0,2,0,0,0,0|1,1,0]=4 7523 B12R1.69 OCCSc1ccc(nc1F)O 62a_100009879308_100000211926 [0,2,0,0,0,0|1,1,0]=4 7524 B12R1.69 OCCSc1cnc(cc1Br)F 62a_100000211926_100015451857 [0,2,0,0,0,0|1,1,0]=4 7525 B12R1.69 OCCSc1cnc(cc1Br)F 62a_100015451857_100000211926 [0,2,0,0,0,0|1,1,0]=4 7526 B12R1.69 OCCSc1cnc(cc1Cl)Br 62a_100000211926_100010381092 [0,2,0,0,0,0|1,1,0]=4 7527 B12R1.69 OCCSc1cnc(cc1Cl)Br 62a_100010381092_100000211926 [0,2,0,0,0,0|1,1,0]=4 7528 B12R1.69 OCCSc1cnc(cc1Cl)Cl 62a_100000211926_100010200927 [0,2,0,0,0,0|1,1,0]=4 7529 B12R1.69 OCCSc1cnc(cc1Cl)Cl 62a_100010200927_100000211926 [0,2,0,0,0,0|1,1,0]=4 7530 B12R1.69 OCCSc1cnc(cc1F)Cl 62a_100000211926_100010128100 [0,2,0,0,0,0|1,1,0]=4 7531 B12R1.69 OCCSc1cnc(cc1F)Cl 62a_100010128100_100000211926 [0,2,0,0,0,0|1,1,0]=4 7532 B12R1.69 OCCSc1ncc(cc1Br)Cl 62a_100000211926_100012154958 [0,2,0,0,0,0|1,1,0]=4 7533 B12R1.69 OCCSc1ncc(cc1Br)Cl 62a_100012154958_100000211926 [0,2,0,0,0,0|1,1,0]=4 7534 B12R1.69 OCCSc1ncc(cc1F)Br 62a_100000211926_100012348576 [0,2,0,0,0,0|1,1,0]=4 7535 B12R1.69 OCCSc1ncc(cc1F)Br 62a_100012348576_100000211926 [0,2,0,0,0,0|1,1,0]=4 7536 B12R1.69 OCCSc1ncc(cc1F)Cl 62a_100000211926_100012348686 [0,2,0,0,0,0|1,1,0]=4 7537 B12R1.69 OCCSc1ncc(cc1F)Cl 62a_100012348686_100000211926 [0,2,0,0,0,0|1,1,0]=4 7538 B12R1.69 OCCSc1ncc(cc1F)F 62a_100000211926_100011219543 [0,2,0,0,0,0|1,1,0]=4 7539 B12R1.69 OCCSc1ncc(cc1F)F 62a_100011219543_100000211926 [0,2,0,0,0,0|1,1,0]=4 7540 B12R1.69 OCCSc1ncc(cc1F)O 62a_100000211926_100000063512 [0,2,0,0,0,0|1,1,0]=4 7541 B12R1.69 OCCSc1ncc(cc1O)Br 62a_100000211926_100010210634 [0,2,0,0,0,0|1,1,0]=4 7542 B12R1.69 OCCSc1ncc(cc1O)Br 62a_100010210634_100000211926 [0,2,0,0,0,0|1,1,0]=4 7543 B12R1.69 OCCSc1ncc(cc1O)Cl 62a_100000211926_100010233512 [0,2,0,0,0,0|1,1,0]=4 7544 B12R1.69 OCCSc1ncc(cc1O)Cl 62a_100010233512_100000211926 [0,2,0,0,0,0|1,1,0]=4 7545 B12R1.69 OCCSc1ncc(cc1O)F 62a_100000211926_100000079967 [0,2,0,0,0,0|1,1,0]=4 7546 B12R1.69 OCCSc1ncc(cc1O)F 62a_100009820119_100000211926 [0,2,0,0,0,0|1,1,0]=4 7547 B12R1.69 Oc1cc(ccc1NCCF)Br 34a_100000739049_100011217306 [0,2,0,0,0,0|2,0,0]=4 7548 B12R1.69 Oc1cc(ccc1NCCF)Cl 34a_100000185728_100011217306 [0,2,0,0,0,0|2,0,0]=4 7549 B12R1.69 Oc1cc(ccc1NCCF)F 34a_100000753323_100011217306 [0,2,0,0,0,0|2,0,0]=4 7550 B12R1.69 Oc1cc(ccc1SCCF)Br 62a_100011217306_100012344904 [0,2,0,0,0,0|1,1,0]=4 7551 B12R1.69 Oc1cc(ccc1SCCF)Br 62a_100012344904_100011217306 [0,2,0,0,0,0|1,1,0]=4 7552 B12R1.69 Oc1cc(ccc1SCCF)Cl 62a_100000050036_100011217306 [0,2,0,0,0,0|1,1,0]=4 7553 B12R1.69 Oc1cc(ccc1SCCF)Cl 62a_100011217306_100000050036 [0,2,0,0,0,0|1,1,0]=4 7554 B12R1.69 Oc1cc(ccc1SCCF)F 62a_100000690578_100011217306 [0,2,0,0,0,0|1,1,0]=4 7555 B12R1.69 Oc1cc(ccc1SCCF)F 62a_100011217306_100000690578 [0,2,0,0,0,0|1,1,0]=4 7556 B12R1.69 Oc1ccc(c(c1)Br)NCCF 34a_100012001276_100011217306 [0,2,0,0,0,0|2,0,0]=4 7557 B12R1.69 Oc1ccc(c(c1)Br)SCCF 62a_100000701344_100011217306 [0,2,0,0,0,0|1,1,0]=4 7558 B12R1.69 Oc1ccc(c(c1)Br)SCCF 62a_100011217306_100000701344 [0,2,0,0,0,0|1,1,0]=4 7559 B12R1.69 Oc1ccc(c(c1)Cl)NCCF 34a_100011215599_100011217306 [0,2,0,0,0,0|2,0,0]=4 7560 B12R1.69 Oc1ccc(c(c1)Cl)SCCF 62a_100000047559_100011217306 [0,2,0,0,0,0|1,1,0]=4 7561 B12R1.69 Oc1ccc(c(c1)Cl)SCCF 62a_100011217306_100000047559 [0,2,0,0,0,0|1,1,0]=4 7562 B12R1.69 Oc1ccc(c(c1)F)NCCF 34a_100000759473_100011217306 [0,2,0,0,0,0|2,0,0]=4 7563 B12R1.69 Oc1ccc(c(c1)F)SCCF 62a_100000755031_100011217306 [0,2,0,0,0,0|1,1,0]=4 7564 B12R1.69 Oc1ccc(c(c1)F)SCCF 62a_100011217306_100000755031 [0,2,0,0,0,0|1,1,0]=4 7565 B12R1.69 Oc1ccc(c(c1)I)NCCF 34a_100010084370_100011217306 [0,2,0,0,0,0|2,0,0]=4 7566 B12R1.69 Oc1ccc(c(c1)O)NCCF 34a_100000106777_100011217306 [0,2,0,0,0,0|2,0,0]=4 7567 B12R1.69 Oc1ccc(c(c1)O)SCCF 62a_100011217306_100009813921 [0,2,0,0,0,0|1,1,0]=4 7568 B12R1.69 [O-][n+]1cc(ccc1SCCO)F 62a_100000211926_100009817261 [0,2,0,0,0,0|1,1,0]=4 7569 B12R1.69 [O-][n+]1cc(ccc1SCCO)F 62a_100009817261_100000211926 [0,2,0,0,0,0|1,1,0]=4 7570 B12R1.71 C#CCOc1ccc(cc1)C#N 34a_100000210344_100000184674 [0,2,0,0,0,0|1,0,1]=4 7571 B12R1.71 C#CCOc1ccc(cc1)C#N 7a_100000210344_100000038162 [0,2,0,0,0,0|1,0,1]=4 7572 B12R1.71 C#CCOc1ccc(cc1)C=C 34a_100000189437_100000184674 [0,2,0,0,0,0|1,0,1]=4 7573 B12R1.71 C#CCOc1ccc(cc1)C=C 7a_100000189437_100000038162 [0,2,0,0,0,0|1,0,1]=4 7574 B12R1.71 C#CCOc1ccc(cc1)CC 34a_100000211359_100000184674 [0,2,0,0,0,0|1,0,1]=4 7575 B12R1.71 C#CCOc1ccc(cc1)CC 7a_100000211359_100000038162 [0,2,0,0,0,0|1,0,1]=4 7576 B12R1.71 C#CCOc1ccc(cc1)CN 34a_100000185549_100000184674 [0,2,0,0,0,0|1,0,1]=4 7577 B12R1.71 C#CCOc1ccc(cc1)CO 34a_100000211755_100000184674 [0,2,0,0,0,0|1,0,1]=4 7578 B12R1.71 C#CCOc1ccc(cc1)NC 2230a_100000753246_200000210301 [0,2,0,0,0,0|1,0,1]=4 7579 B12R1.71 C#CCOc1ccc(cc1)NC 34a_100000182112_100000184674 [0,2,0,0,0,0|1,0,1]=4 7580 B12R1.71 C#CCOc1ccc(cc1)NC 34a_100000753246_200000210301 [0,2,0,0,0,0|1,0,1]=4 7581 B12R1.71 C#CCOc1ccc(cc1)N[13CH3] 2230a_100000753246_200025704644 [0,2,0,0,0,0|1,0,1]=4 7582 B12R1.71 C#CCOc1ccc(cc1)N[13CH3] 34a_100000753246_200025704644 [0,2,0,0,0,0|1,0,1]=4 7583 B12R1.71 C#CCOc1ccc(cc1)OC 34a_100000210503_100000184674 [0,2,0,0,0,0|1,0,1]=4 7584 B12R1.71 C#CCOc1ccc(cc1)SC 34a_100000211864_100000184674 [0,2,0,0,0,0|1,0,1]=4 7585 B12R1.71 C#Cc1ccc(cc1)NCCC 34a_100011215031_100000210303 [0,2,0,0,0,0|2,0,0]=4 7586 B12R1.71 C#Cc1ccc(cc1)NCCF 34a_100011215031_100011217306 [0,2,0,0,0,0|2,0,0]=4 7587 B12R1.71 C#Cc1ccc(cc1)NCCO 34a_100011215031_100000211926 [0,2,0,0,0,0|1,0,0]=3 7588 B12R1.71 C#Cc1ccc(nc1)OCCC 34a_200009884252_100000210303 [0,2,0,0,0,0|2,0,0]=4 7589 B12R1.71 C#Cc1ccc(nc1)OCCF 34a_200009884252_100011217306 [0,2,0,0,0,0|2,0,0]=4 7590 B12R1.71 C#Cc1ccc(nc1)OCCO 34a_200009884252_100000211926 [0,2,0,0,0,0|1,0,0]=3 7591 B12R1.71 C=CCOc1ccc(cc1)C#N 34a_100000210344_100015514636 [0,2,0,0,0,0|1,0,1]=4 7592 B12R1.71 C=CCOc1ccc(cc1)C#N 7a_100000210344_100015514636 [0,2,0,0,0,0|1,0,1]=4 7593 B12R1.71 C=CCOc1ccc(cc1)C=C 271570a_100011290941_100000172055 [0,2,0,0,0,0|1,0,1]=4 7594 B12R1.71 C=CCOc1ccc(cc1)C=C 34a_100000189437_100015514636 [0,2,0,0,0,0|1,0,1]=4 7595 B12R1.71 C=CCOc1ccc(cc1)C=C 7a_100000189437_100015514636 [0,2,0,0,0,0|1,0,1]=4 7596 B12R1.71 C=CCOc1ccc(cc1)CC 34a_100000211359_100015514636 [0,2,0,0,0,0|1,0,1]=4 7597 B12R1.71 C=CCOc1ccc(cc1)CC 7a_100000211359_100015514636 [0,2,0,0,0,0|1,0,1]=4 7598 B12R1.71 C=CCOc1ccc(cc1)CN 34a_100000185549_100015514636 [0,2,0,0,0,0|1,0,1]=4 7599 B12R1.71 C=CCOc1ccc(cc1)CO 34a_100000211755_100015514636 [0,2,0,0,0,0|1,0,1]=4 7600 B12R1.71 C=CCOc1ccc(cc1)NC 34a_100000182112_100015514636 [0,2,0,0,0,0|1,0,1]=4 7601 B12R1.71 C=CCOc1ccc(cc1)OC 34a_100000210503_100015514636 [0,2,0,0,0,0|1,0,1]=4 7602 B12R1.71 C=CCOc1ccc(cc1)SC 34a_100000211864_100015514636 [0,2,0,0,0,0|1,0,1]=4 7603 B12R1.71 C=CCOc1ccc(cc1)SC 62a_100000172055_200000210301 [0,2,0,0,0,0|1,0,1]=4 7604 B12R1.71 C=CCOc1ccc(cc1)SC 62a_200000210301_100000172055 [0,2,0,0,0,0|1,0,1]=4 7605 B12R1.71 C=CCOc1ccc(cc1)S[13CH3] 62a_100000172055_200025704644 [0,2,0,0,0,0|1,0,1]=4 7606 B12R1.71 C=CCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000172055 [0,2,0,0,0,0|1,0,1]=4 7607 B12R1.71 C=Cc1ccc(cc1)C#CCO 271570a_100011290941_100009814260 [0,2,0,0,0,0|1,0,1]=4 7608 B12R1.71 C=Cc1ccc(cc1)CCCC 271570a_100011290941_100011215597 [0,2,0,0,0,0|2,0,0]=4 7609 B12R1.71 C=Cc1ccc(cc1)CCCN 271570a_100011290941_100011297623 [0,2,0,0,0,0|2,0,0]=4 7610 B12R1.71 C=Cc1ccc(cc1)CCCO 271570a_100011290941_100011709247 [0,2,0,0,0,0|1,0,0]=3 7611 B12R1.71 C=Cc1ccc(cc1)NCCC 34a_100011218248_100000210303 [0,2,0,0,0,0|2,0,0]=4 7612 B12R1.71 C=Cc1ccc(cc1)NCCF 34a_100011218248_100011217306 [0,2,0,0,0,0|2,0,0]=4 7613 B12R1.71 C=Cc1ccc(cc1)NCCO 34a_100011218248_100000211926 [0,2,0,0,0,0|1,0,0]=3 7614 B12R1.71 C=Cc1ccc(cc1)OCC#N 271570a_100011290941_200000169425 [0,2,0,0,0,0|1,0,1]=4 7615 B12R1.71 C=Cc1ccc(cc1)OCC#N 7a_100000189437_100011215382 [0,2,0,0,0,0|1,0,1]=4 7616 B12R1.71 C=Cc1ccc(cc1)OCC=O 34a_100000189437_200009817547 [0,2,0,0,0,0|0,0,2]=4 7617 B12R1.71 C=Cc1ccc(cc1)OCC=O 7a_100000189437_200015260668 [0,2,0,0,0,0|0,0,2]=4 7618 B12R1.71 C=Cc1ccc(cc1)OCCC 271570a_100011290941_100000169948 [0,2,0,0,0,0|1,0,0]=3 7619 B12R1.71 C=Cc1ccc(cc1)OCCC 34a_100000189437_100000210303 [0,2,0,0,0,0|1,0,0]=3 7620 B12R1.71 C=Cc1ccc(cc1)OCCC 7a_100000189437_100000210303 [0,2,0,0,0,0|1,0,0]=3 7621 B12R1.71 C=Cc1ccc(cc1)OCCF 271570a_100011290941_100012347556 [0,2,0,0,0,0|1,0,0]=3 7622 B12R1.71 C=Cc1ccc(cc1)OCCF 34a_100000189437_100011217306 [0,2,0,0,0,0|1,0,0]=3 7623 B12R1.71 C=Cc1ccc(cc1)OCCF 7a_100000189437_100011217306 [0,2,0,0,0,0|1,0,0]=3 7624 B12R1.71 C=Cc1ccc(cc1)OCCN 271570a_100011290941_100000746992 [0,2,0,0,0,0|1,0,0]=3 7625 B12R1.71 C=Cc1ccc(cc1)OCCO 271570a_100011290941_100000686261 [0,2,0,0,0,0|0,0,0]=2 7626 B12R1.71 C=Cc1ccc(cc1)OCCO 34a_100000189437_100000211926 [0,2,0,0,0,0|0,0,0]=2 7627 B12R1.71 C=Cc1ccc(cc1)OCCO 7a_100000189437_100000211926 [0,2,0,0,0,0|0,0,0]=2 7628 B12R1.71 C=Cc1ccc(cc1)OCOC 271570a_100011290941_100012265687 [0,2,0,0,0,0|2,0,0]=4 7629 B12R1.71 C=Cc1ccc(cc1)OCSC 34a_100000189437_100011218213 [0,2,0,0,0,0|2,0,0]=4 7630 B12R1.71 C=Cc1ccc(cc1)SCCC 271570a_100011290941_200009811899 [0,2,0,0,0,0|1,1,0]=4 7631 B12R1.71 C=Cc1ccc(cc1)SCCC 62a_100000210303_100000748128 [0,2,0,0,0,0|1,1,0]=4 7632 B12R1.71 C=Cc1ccc(cc1)SCCC 62a_100000748128_100000210303 [0,2,0,0,0,0|1,1,0]=4 7633 B12R1.71 C=Cc1ccc(cc1)SCCF 62a_100000748128_100011217306 [0,2,0,0,0,0|1,1,0]=4 7634 B12R1.71 C=Cc1ccc(cc1)SCCF 62a_100011217306_100000748128 [0,2,0,0,0,0|1,1,0]=4 7635 B12R1.71 C=Cc1ccc(cc1)SCCN 271570a_100011290941_100000184645 [0,2,0,0,0,0|1,1,0]=4 7636 B12R1.71 C=Cc1ccc(cc1)SCCO 62a_100000211926_100000748128 [0,2,0,0,0,0|0,1,0]=3 7637 B12R1.71 C=Cc1ccc(cc1)SCCO 62a_100000748128_100000211926 [0,2,0,0,0,0|0,1,0]=3 7638 B12R1.71 C=Cc1ccc(cn1)OCCC 271570a_100011290941_100000719977 [0,2,0,0,0,0|2,0,0]=4 7639 B12R1.71 C=Cc1ccc(cn1)OCCO 271570a_100011290941_200013150534 [0,2,0,0,0,0|1,0,0]=3 7640 B12R1.71 C=Cc1ccc(nc1)OCCC 271570a_100011290941_100011465619 [0,2,0,0,0,0|2,0,0]=4 7641 B12R1.71 C=Cc1ccc(nc1)SCCO 62a_100000211926_103436540071 [0,2,0,0,0,0|1,1,0]=4 7642 B12R1.71 C=Cc1ccc(nc1)SCCO 62a_103436540071_100000211926 [0,2,0,0,0,0|1,1,0]=4 7643 B12R1.71 CCCCc1ccc(cc1)C#N 271570a_100020621405_100000179745 [0,2,0,0,0,0|2,0,0]=4 7644 B12R1.71 CCCCc1ccc(cc1)C=O 271570a_100020621405_100000186029 [0,2,0,0,0,0|2,0,0]=4 7645 B12R1.71 CCCCc1ccc(cc1)CC 271570a_100020621405_100011215824 [0,2,0,0,0,0|2,0,0]=4 7646 B12R1.71 CCCCc1ccc(cc1)CF 271570a_100020621405_100010268989 [0,2,0,0,0,0|2,0,0]=4 7647 B12R1.71 CCCCc1ccc(cc1)CN 271570a_100020621405_100016989417 [0,2,0,0,0,0|2,0,0]=4 7648 B12R1.71 CCCCc1ccc(cc1)CO 271570a_100020621405_100000690907 [0,2,0,0,0,0|2,0,0]=4 7649 B12R1.71 CCCCc1ccc(cc1)NC 2230a_100000210628_200000210301 [0,2,0,0,0,0|2,0,0]=4 7650 B12R1.71 CCCCc1ccc(cc1)NC 271570a_100020621405_100000219623 [0,2,0,0,0,0|2,0,0]=4 7651 B12R1.71 CCCCc1ccc(cc1)NC 34a_100000210628_200000210301 [0,2,0,0,0,0|2,0,0]=4 7652 B12R1.71 CCCCc1ccc(cc1)NN 271570a_100020621405_100016988836 [0,2,0,0,0,0|2,0,0]=4 7653 B12R1.71 CCCCc1ccc(cc1)N[13CH3] 2230a_100000210628_200025704644 [0,2,0,0,0,0|2,0,0]=4 7654 B12R1.71 CCCCc1ccc(cc1)N[13CH3] 34a_100000210628_200025704644 [0,2,0,0,0,0|2,0,0]=4 7655 B12R1.71 CCCCc1ccc(cc1)OC 271570a_100020621405_100000171711 [0,2,0,0,0,0|2,0,0]=4 7656 B12R1.71 CCCCc1ccc(cc1)OC 34a_100011216022_200000210301 [0,2,0,0,0,0|2,0,0]=4 7657 B12R1.71 CCCCc1ccc(cc1)OC 7a_100011216022_200000210301 [0,2,0,0,0,0|2,0,0]=4 7658 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 34a_100011216022_200025704644 [0,2,0,0,0,0|2,0,0]=4 7659 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 7a_100011216022_200025704644 [0,2,0,0,0,0|2,0,0]=4 7660 B12R1.71 CCCCc1ccc(cc1)SC 271570a_100020621405_100011263217 [0,2,0,0,0,0|2,0,0]=4 7661 B12R1.71 CCCCc1ccc(cc1)SC 62a_100011218101_200000210301 [0,2,0,0,0,0|2,0,0]=4 7662 B12R1.71 CCCCc1ccc(cc1)SC 62a_200000210301_100011218101 [0,2,0,0,0,0|2,0,0]=4 7663 B12R1.71 CCCCc1ccc(cc1)S[13CH3] 62a_100011218101_200025704644 [0,2,0,0,0,0|2,0,0]=4 7664 B12R1.71 CCCCc1ccc(cc1)S[13CH3] 62a_200025704644_100011218101 [0,2,0,0,0,0|2,0,0]=4 7665 B12R1.71 CCCNc1ccc(cc1)C#N 34a_100000185469_100000210303 [0,2,0,0,0,0|2,0,0]=4 7666 B12R1.71 CCCNc1ccc(cc1)CC 2230a_100000211069_100000210303 [0,2,0,0,0,0|2,0,0]=4 7667 B12R1.71 CCCNc1ccc(cc1)CC 34a_100000211069_100000210303 [0,2,0,0,0,0|2,0,0]=4 7668 B12R1.71 CCCNc1ccc(cc1)CO 2230a_100011215238_100000210303 [0,2,0,0,0,0|2,0,0]=4 7669 B12R1.71 CCCNc1ccc(cc1)CO 34a_100011215238_100000210303 [0,2,0,0,0,0|2,0,0]=4 7670 B12R1.71 CCCNc1ccc(cc1)OC 34a_100000184247_100000210303 [0,2,0,0,0,0|2,0,0]=4 7671 B12R1.71 CCCNc1ccc(cc1)SC 34a_100000212337_100000210303 [0,2,0,0,0,0|2,0,0]=4 7672 B12R1.71 CCCOc1ccc(cc1)C#N 34a_100000210344_100000210303 [0,2,0,0,0,0|1,0,0]=3 7673 B12R1.71 CCCOc1ccc(cc1)C#N 7a_100000210344_100000210303 [0,2,0,0,0,0|1,0,0]=3 7674 B12R1.71 CCCOc1ccc(cc1)CC 34a_100000211359_100000210303 [0,2,0,0,0,0|1,0,0]=3 7675 B12R1.71 CCCOc1ccc(cc1)CC 7a_100000211359_100000210303 [0,2,0,0,0,0|1,0,0]=3 7676 B12R1.71 CCCOc1ccc(cc1)CN 34a_100000185549_100000210303 [0,2,0,0,0,0|1,0,0]=3 7677 B12R1.71 CCCOc1ccc(cc1)CO 34a_100000211755_100000210303 [0,2,0,0,0,0|1,0,0]=3 7678 B12R1.71 CCCOc1ccc(cc1)NC 34a_100000182112_100000210303 [0,2,0,0,0,0|1,0,0]=3 7679 B12R1.71 CCCOc1ccc(cc1)NC 34a_100000748631_200000210301 [0,2,0,0,0,0|1,0,0]=3 7680 B12R1.71 CCCOc1ccc(cc1)N[13CH3] 34a_100000748631_200025704644 [0,2,0,0,0,0|1,0,0]=3 7681 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000185468_200000210301 [0,2,0,0,0,0|1,0,0]=3 7682 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000210503_100000210303 [0,2,0,0,0,0|1,0,0]=3 7683 B12R1.71 CCCOc1ccc(cc1)OC 7a_100000185468_200000210301 [0,2,0,0,0,0|1,0,0]=3 7684 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 34a_100000185468_200025704644 [0,2,0,0,0,0|1,0,0]=3 7685 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 7a_100000185468_200025704644 [0,2,0,0,0,0|1,0,0]=3 7686 B12R1.71 CCCOc1ccc(cc1)SC 34a_100000211864_100000210303 [0,2,0,0,0,0|1,0,0]=3 7687 B12R1.71 CCCOc1ccc(cc1)SC 62a_100000169948_200000210301 [0,2,0,0,0,0|1,0,0]=3 7688 B12R1.71 CCCOc1ccc(cc1)SC 62a_200000210301_100000169948 [0,2,0,0,0,0|1,0,0]=3 7689 B12R1.71 CCCOc1ccc(cc1)S[13CH3] 62a_100000169948_200025704644 [0,2,0,0,0,0|1,0,0]=3 7690 B12R1.71 CCCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000169948 [0,2,0,0,0,0|1,0,0]=3 7691 B12R1.71 CCCOc1ccc(cn1)CN 34a_100000757128_100000210303 [0,2,0,0,0,0|2,0,0]=4 7692 B12R1.71 CCCOc1ccc(cn1)OC 34a_100012002028_100000210303 [0,2,0,0,0,0|2,0,0]=4 7693 B12R1.71 CCCOc1ccc(cn1)SC 62a_100011465619_200000210301 [0,2,0,0,0,0|2,0,0]=4 7694 B12R1.71 CCCOc1ccc(cn1)SC 62a_200000210301_100011465619 [0,2,0,0,0,0|2,0,0]=4 7695 B12R1.71 CCCOc1ccc(cn1)S[13CH3] 62a_100011465619_200025704644 [0,2,0,0,0,0|2,0,0]=4 7696 B12R1.71 CCCOc1ccc(cn1)S[13CH3] 62a_200025704644_100011465619 [0,2,0,0,0,0|2,0,0]=4 7697 B12R1.71 CCCOc1ccc(nc1)C#N 34a_100011934750_100000210303 [0,2,0,0,0,0|2,0,0]=4 7698 B12R1.71 CCCOc1ccc(nc1)C#N 7a_100011934750_100000210303 [0,2,0,0,0,0|2,0,0]=4 7699 B12R1.71 CCCOc1ccc(nc1)CN 34a_100020605196_100000210303 [0,2,0,0,0,0|2,0,0]=4 7700 B12R1.71 CCCOc1ccc(nc1)CO 34a_103436540053_100000210303 [0,2,0,0,0,0|2,0,0]=4 7701 B12R1.71 CCCOc1ccc(nc1)OC 34a_100011934560_100000210303 [0,2,0,0,0,0|2,0,0]=4 7702 B12R1.71 CCCOc1ccc(nc1)SC 62a_100000719977_200000210301 [0,2,0,0,0,0|2,0,0]=4 7703 B12R1.71 CCCOc1ccc(nc1)SC 62a_200000210301_100000719977 [0,2,0,0,0,0|2,0,0]=4 7704 B12R1.71 CCCOc1ccc(nc1)S[13CH3] 62a_100000719977_200025704644 [0,2,0,0,0,0|2,0,0]=4 7705 B12R1.71 CCCOc1ccc(nc1)S[13CH3] 62a_200025704644_100000719977 [0,2,0,0,0,0|2,0,0]=4 7706 B12R1.71 CCCSc1ccc(cc1)C#N 62a_100000210303_100000184291 [0,2,0,0,0,0|1,1,0]=4 7707 B12R1.71 CCCSc1ccc(cc1)C=O 62a_100000188517_100000210303 [0,2,0,0,0,0|1,1,0]=4 7708 B12R1.71 CCCSc1ccc(cc1)C=O 62a_100000210303_100000188517 [0,2,0,0,0,0|1,1,0]=4 7709 B12R1.71 CCCSc1ccc(cc1)CC 62a_100000210303_100011215824 [0,2,0,0,0,0|1,1,0]=4 7710 B12R1.71 CCCSc1ccc(cc1)CC 62a_100011215824_100000210303 [0,2,0,0,0,0|1,1,0]=4 7711 B12R1.71 CCCSc1ccc(cc1)CF 62a_100000210303_100010268989 [0,2,0,0,0,0|1,1,0]=4 7712 B12R1.71 CCCSc1ccc(cc1)CF 62a_100010268989_100000210303 [0,2,0,0,0,0|1,1,0]=4 7713 B12R1.71 CCCSc1ccc(cc1)CN 62a_100000210303_100016989417 [0,2,0,0,0,0|1,1,0]=4 7714 B12R1.71 CCCSc1ccc(cc1)CN 62a_100016989417_100000210303 [0,2,0,0,0,0|1,1,0]=4 7715 B12R1.71 CCCSc1ccc(cc1)CO 62a_100000210303_100000690907 [0,2,0,0,0,0|1,1,0]=4 7716 B12R1.71 CCCSc1ccc(cc1)CO 62a_100000690907_100000210303 [0,2,0,0,0,0|1,1,0]=4 7717 B12R1.71 CCCSc1ccc(cc1)NC 34a_100015183887_200000210301 [0,2,0,0,0,0|1,1,0]=4 7718 B12R1.71 CCCSc1ccc(cc1)NC 62a_100000210303_100000743151 [0,2,0,0,0,0|1,1,0]=4 7719 B12R1.71 CCCSc1ccc(cc1)NC 62a_100000743151_100000210303 [0,2,0,0,0,0|1,1,0]=4 7720 B12R1.71 CCCSc1ccc(cc1)NC 7a_100015183887_200000210301 [0,2,0,0,0,0|1,1,0]=4 7721 B12R1.71 CCCSc1ccc(cc1)NN 62a_100000210303_100016988836 [0,2,0,0,0,0|1,1,0]=4 7722 B12R1.71 CCCSc1ccc(cc1)NN 62a_100016988836_100000210303 [0,2,0,0,0,0|1,1,0]=4 7723 B12R1.71 CCCSc1ccc(cc1)N[13CH3] 34a_100015183887_200025704644 [0,2,0,0,0,0|1,1,0]=4 7724 B12R1.71 CCCSc1ccc(cc1)N[13CH3] 7a_100015183887_200025704644 [0,2,0,0,0,0|1,1,0]=4 7725 B12R1.71 CCCSc1ccc(cc1)OC 62a_100000210303_100000171711 [0,2,0,0,0,0|1,1,0]=4 7726 B12R1.71 CCCSc1ccc(cc1)SC 62a_100000210303_100011263217 [0,2,0,0,0,0|1,1,0]=4 7727 B12R1.71 CCCSc1ccc(cc1)SC 62a_100011263217_100000210303 [0,2,0,0,0,0|1,1,0]=4 7728 B12R1.71 CCCSc1ccc(cc1)SC 62a_200000210301_200009811899 [0,2,0,0,0,0|1,1,0]=4 7729 B12R1.71 CCCSc1ccc(cc1)SC 62a_200009811899_200000210301 [0,2,0,0,0,0|1,1,0]=4 7730 B12R1.71 CCCSc1ccc(cc1)S[13CH3] 62a_200009811899_200025704644 [0,2,0,0,0,0|1,1,0]=4 7731 B12R1.71 CCCSc1ccc(cc1)S[13CH3] 62a_200025704644_200009811899 [0,2,0,0,0,0|1,1,0]=4 7732 B12R1.71 CCc1ccc(cc1)NCCF 2230a_100000211069_100011217306 [0,2,0,0,0,0|2,0,0]=4 7733 B12R1.71 CCc1ccc(cc1)NCCF 34a_100000211069_100011217306 [0,2,0,0,0,0|2,0,0]=4 7734 B12R1.71 CCc1ccc(cc1)NCCO 2230a_100000211069_100000211926 [0,2,0,0,0,0|1,0,0]=3 7735 B12R1.71 CCc1ccc(cc1)NCCO 34a_100000211069_100000211926 [0,2,0,0,0,0|1,0,0]=3 7736 B12R1.71 CCc1ccc(cc1)OCC#N 7a_100000211359_100011215382 [0,2,0,0,0,0|1,0,1]=4 7737 B12R1.71 CCc1ccc(cc1)OCC=O 34a_100000211359_200009817547 [0,2,0,0,0,0|0,0,2]=4 7738 B12R1.71 CCc1ccc(cc1)OCC=O 7a_100000211359_200015260668 [0,2,0,0,0,0|0,0,2]=4 7739 B12R1.71 CCc1ccc(cc1)OCCF 34a_100000211359_100011217306 [0,2,0,0,0,0|1,0,0]=3 7740 B12R1.71 CCc1ccc(cc1)OCCF 7a_100000211359_100011217306 [0,2,0,0,0,0|1,0,0]=3 7741 B12R1.71 CCc1ccc(cc1)OCCO 34a_100000211359_100000211926 [0,2,0,0,0,0|0,0,0]=2 7742 B12R1.71 CCc1ccc(cc1)OCCO 7a_100000211359_100000211926 [0,2,0,0,0,0|0,0,0]=2 7743 B12R1.71 CCc1ccc(cc1)OCSC 34a_100000211359_100011218213 [0,2,0,0,0,0|2,0,0]=4 7744 B12R1.71 CCc1ccc(cc1)SCCF 62a_100011215824_100011217306 [0,2,0,0,0,0|1,1,0]=4 7745 B12R1.71 CCc1ccc(cc1)SCCF 62a_100011217306_100011215824 [0,2,0,0,0,0|1,1,0]=4 7746 B12R1.71 CCc1ccc(cc1)SCCO 62a_100000211926_100011215824 [0,2,0,0,0,0|0,1,0]=3 7747 B12R1.71 CCc1ccc(cc1)SCCO 62a_100011215824_100000211926 [0,2,0,0,0,0|0,1,0]=3 7748 B12R1.71 CCc1ccc(cn1)SCCO 62a_100000211926_100009820025 [0,2,0,0,0,0|1,1,0]=4 7749 B12R1.71 CCc1ccc(cn1)SCCO 62a_100009820025_100000211926 [0,2,0,0,0,0|1,1,0]=4 7750 B12R1.71 CCc1ccc(nc1)SCCO 62a_100000211926_100009843584 [0,2,0,0,0,0|1,1,0]=4 7751 B12R1.71 CCc1ccc(nc1)SCCO 62a_100009843584_100000211926 [0,2,0,0,0,0|1,1,0]=4 7752 B12R1.71 CNc1ccc(cc1)OCC=O 34a_100000182112_200009817547 [0,2,0,0,0,0|0,0,2]=4 7753 B12R1.71 CNc1ccc(cc1)OCCF 34a_100000182112_100011217306 [0,2,0,0,0,0|1,0,0]=3 7754 B12R1.71 CNc1ccc(cc1)OCCF 34a_100012282086_200000210301 [0,2,0,0,0,0|1,0,0]=3 7755 B12R1.71 CNc1ccc(cc1)OCCO 2230a_100000754363_200000210301 [0,2,0,0,0,0|0,0,0]=2 7756 B12R1.71 CNc1ccc(cc1)OCCO 34a_100000182112_100000211926 [0,2,0,0,0,0|0,0,0]=2 7757 B12R1.71 CNc1ccc(cc1)OCCO 34a_100000754363_200000210301 [0,2,0,0,0,0|0,0,0]=2 7758 B12R1.71 CNc1ccc(cc1)OCSC 34a_100000182112_100011218213 [0,2,0,0,0,0|2,0,0]=4 7759 B12R1.71 CNc1ccc(cc1)SCCF 62a_100000743151_100011217306 [0,2,0,0,0,0|1,1,0]=4 7760 B12R1.71 CNc1ccc(cc1)SCCF 62a_100011217306_100000743151 [0,2,0,0,0,0|1,1,0]=4 7761 B12R1.71 CNc1ccc(cc1)SCCO 62a_100000211926_100000743151 [0,2,0,0,0,0|0,1,0]=3 7762 B12R1.71 CNc1ccc(cc1)SCCO 62a_100000743151_100000211926 [0,2,0,0,0,0|0,1,0]=3 7763 B12R1.71 CNc1ccc(cn1)SCCO 62a_100000211926_100000741341 [0,2,0,0,0,0|1,1,0]=4 7764 B12R1.71 CNc1ccc(cn1)SCCO 62a_100000741341_100000211926 [0,2,0,0,0,0|1,1,0]=4 7765 B12R1.71 CNc1ccc(nc1)SCCO 62a_100000211926_100000764248 [0,2,0,0,0,0|1,1,0]=4 7766 B12R1.71 CNc1ccc(nc1)SCCO 62a_100000764248_100000211926 [0,2,0,0,0,0|1,1,0]=4 7767 B12R1.71 COCOc1ccc(cc1)OC 34a_200012265912_200000210301 [0,2,0,0,0,0|2,0,0]=4 7768 B12R1.71 COCOc1ccc(cc1)O[13CH3] 34a_200012265912_200025704644 [0,2,0,0,0,0|2,0,0]=4 7769 B12R1.71 COCOc1ccc(cc1)SC 62a_100012265687_200000210301 [0,2,0,0,0,0|2,0,0]=4 7770 B12R1.71 COCOc1ccc(cc1)SC 62a_200000210301_100012265687 [0,2,0,0,0,0|2,0,0]=4 7771 B12R1.71 COCOc1ccc(cc1)S[13CH3] 62a_100012265687_200025704644 [0,2,0,0,0,0|2,0,0]=4 7772 B12R1.71 COCOc1ccc(cc1)S[13CH3] 62a_200025704644_100012265687 [0,2,0,0,0,0|2,0,0]=4 7773 B12R1.71 COc1ccc(cc1)CCCO 34a_100011215268_200000210301 [0,2,0,0,0,0|1,0,0]=3 7774 B12R1.71 COc1ccc(cc1)CCCO 7a_100011215268_200000210301 [0,2,0,0,0,0|1,0,0]=3 7775 B12R1.71 COc1ccc(cc1)NCCF 34a_100000184247_100011217306 [0,2,0,0,0,0|2,0,0]=4 7776 B12R1.71 COc1ccc(cc1)NCCO 34a_100000184247_100000211926 [0,2,0,0,0,0|1,0,0]=3 7777 B12R1.71 COc1ccc(cc1)OCC=O 34a_100000210503_200009817547 [0,2,0,0,0,0|0,0,2]=4 7778 B12R1.71 COc1ccc(cc1)OCCF 34a_100000210503_100011217306 [0,2,0,0,0,0|1,0,0]=3 7779 B12R1.71 COc1ccc(cc1)OCCO 34a_100000210503_100000211926 [0,2,0,0,0,0|0,0,0]=2 7780 B12R1.71 COc1ccc(cc1)OCSC 34a_100000210503_100011218213 [0,2,0,0,0,0|2,0,0]=4 7781 B12R1.71 COc1ccc(cc1)SCCF 62a_100011217306_100000171711 [0,2,0,0,0,0|1,1,0]=4 7782 B12R1.71 COc1ccc(cc1)SCCO 62a_100000211926_100000171711 [0,2,0,0,0,0|0,1,0]=3 7783 B12R1.71 COc1ccc(cn1)OCCF 34a_100011934560_100011217306 [0,2,0,0,0,0|2,0,0]=4 7784 B12R1.71 COc1ccc(cn1)OCCO 34a_100011934560_100000211926 [0,2,0,0,0,0|1,0,0]=3 7785 B12R1.71 COc1ccc(cn1)SCCO 62a_100000047065_100000211926 [0,2,0,0,0,0|1,1,0]=4 7786 B12R1.71 COc1ccc(cn1)SCCO 62a_100000211926_100000047065 [0,2,0,0,0,0|1,1,0]=4 7787 B12R1.71 COc1ccc(nc1)OCCF 34a_100012002028_100011217306 [0,2,0,0,0,0|2,0,0]=4 7788 B12R1.71 COc1ccc(nc1)OCCO 34a_100012002028_100000211926 [0,2,0,0,0,0|1,0,0]=3 7789 B12R1.71 COc1ccc(nc1)SCCO 62a_100000211926_100000744180 [0,2,0,0,0,0|1,1,0]=4 7790 B12R1.71 COc1ccc(nc1)SCCO 62a_100000755202_100000211926 [0,2,0,0,0,0|1,1,0]=4 7791 B12R1.71 COc1ncc(cn1)OCCO 34a_100000099601_100000211926 [0,2,0,0,0,0|2,0,0]=4 7792 B12R1.71 COc1ncc(cn1)OCCO 7a_100000099601_100000211926 [0,2,0,0,0,0|2,0,0]=4 7793 B12R1.71 CSCOc1ccc(cc1)C#N 34a_100000210344_100011218213 [0,2,0,0,0,0|2,0,0]=4 7794 B12R1.71 CSCOc1ccc(cc1)CN 34a_100000185549_100011218213 [0,2,0,0,0,0|2,0,0]=4 7795 B12R1.71 CSCOc1ccc(cc1)CO 34a_100000211755_100011218213 [0,2,0,0,0,0|2,0,0]=4 7796 B12R1.71 CSCOc1ccc(cc1)SC 34a_100000211864_100011218213 [0,2,0,0,0,0|2,0,0]=4 7797 B12R1.71 CSc1ccc(cc1)C#CCO 62a_200000210301_100009814260 [0,2,0,0,0,0|1,0,1]=4 7798 B12R1.71 CSc1ccc(cc1)CCCN 62a_100011297623_200000210301 [0,2,0,0,0,0|2,0,0]=4 7799 B12R1.71 CSc1ccc(cc1)CCCN 62a_200000210301_100011297623 [0,2,0,0,0,0|2,0,0]=4 7800 B12R1.71 CSc1ccc(cc1)CCCO 62a_100011709247_200000210301 [0,2,0,0,0,0|1,0,0]=3 7801 B12R1.71 CSc1ccc(cc1)CCCO 62a_200000210301_100011709247 [0,2,0,0,0,0|1,0,0]=3 7802 B12R1.71 CSc1ccc(cc1)NCCF 34a_100000212337_100011217306 [0,2,0,0,0,0|2,0,0]=4 7803 B12R1.71 CSc1ccc(cc1)NCCO 34a_100000212337_100000211926 [0,2,0,0,0,0|1,0,0]=3 7804 B12R1.71 CSc1ccc(cc1)OCC#N 62a_200000169425_200000210301 [0,2,0,0,0,0|1,0,1]=4 7805 B12R1.71 CSc1ccc(cc1)OCC#N 62a_200000210301_200000169425 [0,2,0,0,0,0|1,0,1]=4 7806 B12R1.71 CSc1ccc(cc1)OCC=O 34a_100000211864_200009817547 [0,2,0,0,0,0|0,0,2]=4 7807 B12R1.71 CSc1ccc(cc1)OCCF 34a_100000211864_100011217306 [0,2,0,0,0,0|1,0,0]=3 7808 B12R1.71 CSc1ccc(cc1)OCCF 62a_100012347556_200000210301 [0,2,0,0,0,0|1,0,0]=3 7809 B12R1.71 CSc1ccc(cc1)OCCF 62a_200000210301_100012347556 [0,2,0,0,0,0|1,0,0]=3 7810 B12R1.71 CSc1ccc(cc1)OCCN 62a_100000746992_200000210301 [0,2,0,0,0,0|1,0,0]=3 7811 B12R1.71 CSc1ccc(cc1)OCCN 62a_200000210301_100000746992 [0,2,0,0,0,0|1,0,0]=3 7812 B12R1.71 CSc1ccc(cc1)OCCO 34a_100000211864_100000211926 [0,2,0,0,0,0|0,0,0]=2 7813 B12R1.71 CSc1ccc(cc1)OCCO 62a_100000686261_200000210301 [0,2,0,0,0,0|0,0,0]=2 7814 B12R1.71 CSc1ccc(cc1)OCCO 62a_200000210301_100000686261 [0,2,0,0,0,0|0,0,0]=2 7815 B12R1.71 CSc1ccc(cc1)SCCF 62a_100011217306_100011263217 [0,2,0,0,0,0|1,1,0]=4 7816 B12R1.71 CSc1ccc(cc1)SCCF 62a_100011263217_100011217306 [0,2,0,0,0,0|1,1,0]=4 7817 B12R1.71 CSc1ccc(cc1)SCCN 62a_100000184645_200000210301 [0,2,0,0,0,0|1,1,0]=4 7818 B12R1.71 CSc1ccc(cc1)SCCN 62a_200000210301_100000184645 [0,2,0,0,0,0|1,1,0]=4 7819 B12R1.71 CSc1ccc(cc1)SCCO 62a_100000211926_100011263217 [0,2,0,0,0,0|0,1,0]=3 7820 B12R1.71 CSc1ccc(cc1)SCCO 62a_100011263217_100000211926 [0,2,0,0,0,0|0,1,0]=3 7821 B12R1.71 CSc1ccc(cn1)OCCO 62a_200000210301_200013150534 [0,2,0,0,0,0|1,0,0]=3 7822 B12R1.71 CSc1ccc(cn1)OCCO 62a_200013150534_200000210301 [0,2,0,0,0,0|1,0,0]=3 7823 B12R1.71 CSc1ccc(cn1)SCCO 62a_100000211926_100011408404 [0,2,0,0,0,0|1,1,0]=4 7824 B12R1.71 CSc1ccc(cn1)SCCO 62a_100011408404_100000211926 [0,2,0,0,0,0|1,1,0]=4 7825 B12R1.71 CSc1ccc(nc1)NCCO 27a_100000210304_100009820866 [0,2,0,0,0,0|2,0,0]=4 7826 B12R1.71 CSc1ccc(nc1)SCCO 62a_100000211926_100009820866 [0,2,0,0,0,0|1,1,0]=4 7827 B12R1.71 CSc1ccc(nc1)SCCO 62a_100009820866_100000211926 [0,2,0,0,0,0|1,1,0]=4 7828 B12R1.71 CSc1ncc(cn1)OCCO 34a_100000075549_100000211926 [0,2,0,0,0,0|2,0,0]=4 7829 B12R1.71 CSc1ncc(cn1)OCCO 7a_100000075549_100000211926 [0,2,0,0,0,0|2,0,0]=4 7830 B12R1.71 FCCSc1ccc(cc1)CF 62a_100010268989_100011217306 [0,2,0,0,0,0|1,1,0]=4 7831 B12R1.71 FCCSc1ccc(cc1)CF 62a_100011217306_100010268989 [0,2,0,0,0,0|1,1,0]=4 7832 B12R1.71 N#CCOc1ccc(cc1)C#N 7a_100000210344_100011215382 [0,2,0,0,0,0|1,0,1]=4 7833 B12R1.71 N#Cc1ccc(cc1)NCCF 34a_100000185469_100011217306 [0,2,0,0,0,0|2,0,0]=4 7834 B12R1.71 N#Cc1ccc(cc1)NCCO 34a_100000185469_100000211926 [0,2,0,0,0,0|1,0,0]=3 7835 B12R1.71 N#Cc1ccc(cc1)OCC=O 34a_100000210344_200009817547 [0,2,0,0,0,0|0,0,2]=4 7836 B12R1.71 N#Cc1ccc(cc1)OCC=O 7a_100000210344_200015260668 [0,2,0,0,0,0|0,0,2]=4 7837 B12R1.71 N#Cc1ccc(cc1)OCCF 34a_100000210344_100011217306 [0,2,0,0,0,0|1,0,0]=3 7838 B12R1.71 N#Cc1ccc(cc1)OCCF 7a_100000210344_100011217306 [0,2,0,0,0,0|1,0,0]=3 7839 B12R1.71 N#Cc1ccc(cc1)OCCO 34a_100000210344_100000211926 [0,2,0,0,0,0|0,0,0]=2 7840 B12R1.71 N#Cc1ccc(cc1)OCCO 7a_100000210344_100000211926 [0,2,0,0,0,0|0,0,0]=2 7841 B12R1.71 N#Cc1ccc(cc1)SCCF 62a_100011217306_100000184291 [0,2,0,0,0,0|1,1,0]=4 7842 B12R1.71 N#Cc1ccc(cc1)SCCO 62a_100000211926_100000184291 [0,2,0,0,0,0|0,1,0]=3 7843 B12R1.71 N#Cc1ccc(cn1)OCCF 34a_100011934750_100011217306 [0,2,0,0,0,0|2,0,0]=4 7844 B12R1.71 N#Cc1ccc(cn1)OCCF 7a_100011934750_100011217306 [0,2,0,0,0,0|2,0,0]=4 7845 B12R1.71 N#Cc1ccc(cn1)OCCO 34a_100011934750_100000211926 [0,2,0,0,0,0|1,0,0]=3 7846 B12R1.71 N#Cc1ccc(cn1)OCCO 7a_100011934750_100000211926 [0,2,0,0,0,0|1,0,0]=3 7847 B12R1.71 N#Cc1ccc(cn1)SCCO 62a_100000211926_100000760455 [0,2,0,0,0,0|1,1,0]=4 7848 B12R1.71 N#Cc1ccc(nc1)NCCO 27a_100000210304_100000241038 [0,2,0,0,0,0|2,0,0]=4 7849 B12R1.71 N#Cc1ccc(nc1)SCCO 62a_100000211926_100000241038 [0,2,0,0,0,0|1,1,0]=4 7850 B12R1.71 N#Cc1ncc(cn1)OCCO 7a_100000707606_100000211926 [0,2,0,0,0,0|2,0,0]=4 7851 B12R1.71 NCc1ccc(cc1)OCC=O 34a_100000185549_200009817547 [0,2,0,0,0,0|0,0,2]=4 7852 B12R1.71 NCc1ccc(cc1)OCCF 34a_100000185549_100011217306 [0,2,0,0,0,0|1,0,0]=3 7853 B12R1.71 NCc1ccc(cc1)OCCO 34a_100000185549_100000211926 [0,2,0,0,0,0|0,0,0]=2 7854 B12R1.71 NCc1ccc(cc1)SCCF 62a_100011217306_100016989417 [0,2,0,0,0,0|1,1,0]=4 7855 B12R1.71 NCc1ccc(cc1)SCCF 62a_100016989417_100011217306 [0,2,0,0,0,0|1,1,0]=4 7856 B12R1.71 NCc1ccc(cc1)SCCO 62a_100000211926_100016989417 [0,2,0,0,0,0|0,1,0]=3 7857 B12R1.71 NCc1ccc(cc1)SCCO 62a_100016989417_100000211926 [0,2,0,0,0,0|0,1,0]=3 7858 B12R1.71 NCc1ccc(cn1)OCCF 34a_100020605196_100011217306 [0,2,0,0,0,0|2,0,0]=4 7859 B12R1.71 NCc1ccc(cn1)OCCO 34a_100020605196_100000211926 [0,2,0,0,0,0|1,0,0]=3 7860 B12R1.71 NCc1ccc(cn1)SCCO 62a_100000211926_100015188789 [0,2,0,0,0,0|1,1,0]=4 7861 B12R1.71 NCc1ccc(cn1)SCCO 62a_100015188789_100000211926 [0,2,0,0,0,0|1,1,0]=4 7862 B12R1.71 NCc1ccc(nc1)OCCF 34a_100000757128_100011217306 [0,2,0,0,0,0|2,0,0]=4 7863 B12R1.71 NCc1ccc(nc1)OCCO 34a_100000757128_100000211926 [0,2,0,0,0,0|1,0,0]=3 7864 B12R1.71 NCc1ccc(nc1)SCCO 62a_100000211926_100000735879 [0,2,0,0,0,0|1,1,0]=4 7865 B12R1.71 NCc1ccc(nc1)SCCO 62a_100000735879_100000211926 [0,2,0,0,0,0|1,1,0]=4 7866 B12R1.71 NNc1ccc(cc1)SCCF 62a_100011217306_100016988836 [0,2,0,0,0,0|1,1,0]=4 7867 B12R1.71 NNc1ccc(cc1)SCCF 62a_100016988836_100011217306 [0,2,0,0,0,0|1,1,0]=4 7868 B12R1.71 NNc1ccc(cc1)SCCO 62a_100000211926_100016988836 [0,2,0,0,0,0|0,1,0]=3 7869 B12R1.71 NNc1ccc(cc1)SCCO 62a_100016988836_100000211926 [0,2,0,0,0,0|0,1,0]=3 7870 B12R1.71 NNc1ccc(cn1)SCCO 62a_100000211926_100000750576 [0,2,0,0,0,0|1,1,0]=4 7871 B12R1.71 NNc1ccc(cn1)SCCO 62a_100000750576_100000211926 [0,2,0,0,0,0|1,1,0]=4 7872 B12R1.71 NNc1ccc(nc1)SCCO 62a_100000211926_100000119030 [0,2,0,0,0,0|1,1,0]=4 7873 B12R1.71 NNc1ccc(nc1)SCCO 62a_100000755011_100000211926 [0,2,0,0,0,0|1,1,0]=4 7874 B12R1.71 O=CCOc1ccc(cc1)CO 34a_100000211755_200009817547 [0,2,0,0,0,0|0,0,2]=4 7875 B12R1.71 O=Cc1ccc(cc1)SCCF 62a_100000188517_100011217306 [0,2,0,0,0,0|1,1,0]=4 7876 B12R1.71 O=Cc1ccc(cc1)SCCF 62a_100011217306_100000188517 [0,2,0,0,0,0|1,1,0]=4 7877 B12R1.71 O=Cc1ccc(cc1)SCCO 62a_100000188517_100000211926 [0,2,0,0,0,0|0,1,0]=3 7878 B12R1.71 O=Cc1ccc(cc1)SCCO 62a_100000211926_100000188517 [0,2,0,0,0,0|0,1,0]=3 7879 B12R1.71 O=Cc1ccc(cn1)SCCO 62a_100000211926_100000754260 [0,2,0,0,0,0|1,1,0]=4 7880 B12R1.71 O=Cc1ccc(cn1)SCCO 62a_100000754260_100000211926 [0,2,0,0,0,0|1,1,0]=4 7881 B12R1.71 O=Cc1ccc(nc1)SCCO 62a_100000211926_100000766901 [0,2,0,0,0,0|1,1,0]=4 7882 B12R1.71 O=Cc1ccc(nc1)SCCO 62a_100000766901_100000211926 [0,2,0,0,0,0|1,1,0]=4 7883 B12R1.71 OCCNc1ccc(cc1)CO 2230a_100011215238_100000211926 [0,2,0,0,0,0|1,0,0]=3 7884 B12R1.71 OCCNc1ccc(cc1)CO 34a_100011215238_100000211926 [0,2,0,0,0,0|1,0,0]=3 7885 B12R1.71 OCCOc1ccc(cc1)CO 34a_100000211755_100000211926 [0,2,0,0,0,0|0,0,0]=2 7886 B12R1.71 OCCOc1ccc(nc1)CO 34a_103436540053_100000211926 [0,2,0,0,0,0|1,0,0]=3 7887 B12R1.71 OCCSc1ccc(cc1)CF 62a_100000211926_100010268989 [0,2,0,0,0,0|0,1,0]=3 7888 B12R1.71 OCCSc1ccc(cc1)CF 62a_100010268989_100000211926 [0,2,0,0,0,0|0,1,0]=3 7889 B12R1.71 OCCSc1ccc(cc1)CO 62a_100000211926_100000690907 [0,2,0,0,0,0|0,1,0]=3 7890 B12R1.71 OCCSc1ccc(cc1)CO 62a_100000690907_100000211926 [0,2,0,0,0,0|0,1,0]=3 7891 B12R1.71 OCCSc1ccc(cn1)CO 62a_100000211926_100009816760 [0,2,0,0,0,0|1,1,0]=4 7892 B12R1.71 OCCSc1ccc(cn1)CO 62a_100009816760_100000211926 [0,2,0,0,0,0|1,1,0]=4 7893 B12R1.71 OCCSc1ccc(nc1)CO 62a_100000211926_100000754261 [0,2,0,0,0,0|1,1,0]=4 7894 B12R1.71 OCCSc1ccc(nc1)CO 62a_100000754261_100000211926 [0,2,0,0,0,0|1,1,0]=4 7895 B12R1.71 OCc1ccc(cc1)NCCF 2230a_100011215238_100011217306 [0,2,0,0,0,0|2,0,0]=4 7896 B12R1.71 OCc1ccc(cc1)NCCF 34a_100011215238_100011217306 [0,2,0,0,0,0|2,0,0]=4 7897 B12R1.71 OCc1ccc(cc1)OCCF 34a_100000211755_100011217306 [0,2,0,0,0,0|1,0,0]=3 7898 B12R1.71 OCc1ccc(cc1)SCCF 62a_100000690907_100011217306 [0,2,0,0,0,0|1,1,0]=4 7899 B12R1.71 OCc1ccc(cc1)SCCF 62a_100011217306_100000690907 [0,2,0,0,0,0|1,1,0]=4 7900 B12R1.71 OCc1ccc(cn1)OCCF 34a_103436540053_100011217306 [0,2,0,0,0,0|2,0,0]=4 7901 B12R1.71 [13CH3]Nc1ccc(cc1)OCCF 34a_100012282086_200025704644 [0,2,0,0,0,0|1,0,0]=3 7902 B12R1.71 [13CH3]Nc1ccc(cc1)OCCO 2230a_100000754363_200025704644 [0,2,0,0,0,0|0,0,0]=2 7903 B12R1.71 [13CH3]Nc1ccc(cc1)OCCO 34a_100000754363_200025704644 [0,2,0,0,0,0|0,0,0]=2 7904 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 34a_100011215268_200025704644 [0,2,0,0,0,0|1,0,0]=3 7905 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 7a_100011215268_200025704644 [0,2,0,0,0,0|1,0,0]=3 7906 B12R1.71 [13CH3]Sc1ccc(cc1)C#CCO 62a_200025704644_100009814260 [0,2,0,0,0,0|1,0,1]=4 7907 B12R1.71 [13CH3]Sc1ccc(cc1)CCCN 62a_100011297623_200025704644 [0,2,0,0,0,0|2,0,0]=4 7908 B12R1.71 [13CH3]Sc1ccc(cc1)CCCN 62a_200025704644_100011297623 [0,2,0,0,0,0|2,0,0]=4 7909 B12R1.71 [13CH3]Sc1ccc(cc1)CCCO 62a_100011709247_200025704644 [0,2,0,0,0,0|1,0,0]=3 7910 B12R1.71 [13CH3]Sc1ccc(cc1)CCCO 62a_200025704644_100011709247 [0,2,0,0,0,0|1,0,0]=3 7911 B12R1.71 [13CH3]Sc1ccc(cc1)OCC#N 62a_200000169425_200025704644 [0,2,0,0,0,0|1,0,1]=4 7912 B12R1.71 [13CH3]Sc1ccc(cc1)OCC#N 62a_200025704644_200000169425 [0,2,0,0,0,0|1,0,1]=4 7913 B12R1.71 [13CH3]Sc1ccc(cc1)OCCF 62a_100012347556_200025704644 [0,2,0,0,0,0|1,0,0]=3 7914 B12R1.71 [13CH3]Sc1ccc(cc1)OCCF 62a_200025704644_100012347556 [0,2,0,0,0,0|1,0,0]=3 7915 B12R1.71 [13CH3]Sc1ccc(cc1)OCCN 62a_100000746992_200025704644 [0,2,0,0,0,0|1,0,0]=3 7916 B12R1.71 [13CH3]Sc1ccc(cc1)OCCN 62a_200025704644_100000746992 [0,2,0,0,0,0|1,0,0]=3 7917 B12R1.71 [13CH3]Sc1ccc(cc1)OCCO 62a_100000686261_200025704644 [0,2,0,0,0,0|0,0,0]=2 7918 B12R1.71 [13CH3]Sc1ccc(cc1)OCCO 62a_200025704644_100000686261 [0,2,0,0,0,0|0,0,0]=2 7919 B12R1.71 [13CH3]Sc1ccc(cc1)SCCN 62a_100000184645_200025704644 [0,2,0,0,0,0|1,1,0]=4 7920 B12R1.71 [13CH3]Sc1ccc(cc1)SCCN 62a_200025704644_100000184645 [0,2,0,0,0,0|1,1,0]=4 7921 B12R1.71 [13CH3]Sc1ccc(cn1)OCCO 62a_200013150534_200025704644 [0,2,0,0,0,0|1,0,0]=3 7922 B12R1.71 [13CH3]Sc1ccc(cn1)OCCO 62a_200025704644_200013150534 [0,2,0,0,0,0|1,0,0]=3 7923 B12R1.385 C#CCOc1ccc(c(c1)Br)C 34a_100011380479_100000184674 [0,2,0,0,0,0|1,0,1]=4 7924 B12R1.385 C#CCOc1ccc(c(c1)Br)C 7a_100011380479_100000038162 [0,2,0,0,0,0|1,0,1]=4 7925 B12R1.385 C#CCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000184674 [0,2,0,0,0,0|1,0,1]=4 7926 B12R1.385 C#CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000038162 [0,2,0,0,0,0|1,0,1]=4 7927 B12R1.385 C#CCOc1ccc(c(c1)Br)F 34a_100000693481_100000184674 [0,2,0,0,0,0|1,0,1]=4 7928 B12R1.385 C#CCOc1ccc(c(c1)Br)F 7a_100000693481_100000038162 [0,2,0,0,0,0|1,0,1]=4 7929 B12R1.385 C#CCOc1ccc(c(c1)Br)I 34a_100000701344_100000184674 [0,2,0,0,0,0|1,0,1]=4 7930 B12R1.385 C#CCOc1ccc(c(c1)Br)I 7a_100000701344_100000038162 [0,2,0,0,0,0|1,0,1]=4 7931 B12R1.385 C#CCOc1ccc(c(c1)Br)N 34a_100012001276_100000184674 [0,2,0,0,0,0|1,0,1]=4 7932 B12R1.385 C#CCOc1ccc(c(c1)Br)N 7a_100012001276_100000038162 [0,2,0,0,0,0|1,0,1]=4 7933 B12R1.385 C#CCOc1ccc(c(c1)C)Br 34a_100000690111_100000184674 [0,2,0,0,0,0|1,0,1]=4 7934 B12R1.385 C#CCOc1ccc(c(c1)C)Br 7a_100000690111_100000038162 [0,2,0,0,0,0|1,0,1]=4 7935 B12R1.385 C#CCOc1ccc(c(c1)C)C 34a_100000210932_100000184674 [0,2,0,0,0,0|1,0,1]=4 7936 B12R1.385 C#CCOc1ccc(c(c1)C)C 7a_100000210932_100000038162 [0,2,0,0,0,0|1,0,1]=4 7937 B12R1.385 C#CCOc1ccc(c(c1)C)Cl 34a_100000211092_100000184674 [0,2,0,0,0,0|1,0,1]=4 7938 B12R1.385 C#CCOc1ccc(c(c1)C)Cl 7a_100000211092_100000038162 [0,2,0,0,0,0|1,0,1]=4 7939 B12R1.385 C#CCOc1ccc(c(c1)C)F 34a_100000751312_100000184674 [0,2,0,0,0,0|1,0,1]=4 7940 B12R1.385 C#CCOc1ccc(c(c1)C)F 7a_100000751312_100000038162 [0,2,0,0,0,0|1,0,1]=4 7941 B12R1.385 C#CCOc1ccc(c(c1)C)I 34a_100000729255_100000184674 [0,2,0,0,0,0|1,0,1]=4 7942 B12R1.385 C#CCOc1ccc(c(c1)C)I 7a_100000729255_100000038162 [0,2,0,0,0,0|1,0,1]=4 7943 B12R1.385 C#CCOc1ccc(c(c1)C)N 34a_100000756630_100000184674 [0,2,0,0,0,0|1,0,1]=4 7944 B12R1.385 C#CCOc1ccc(c(c1)C)N 7a_100000756630_100000038162 [0,2,0,0,0,0|1,0,1]=4 7945 B12R1.385 C#CCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000184674 [0,2,0,0,0,0|1,0,1]=4 7946 B12R1.385 C#CCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000038162 [0,2,0,0,0,0|1,0,1]=4 7947 B12R1.385 C#CCOc1ccc(c(c1)Cl)C 34a_100011265682_100000184674 [0,2,0,0,0,0|1,0,1]=4 7948 B12R1.385 C#CCOc1ccc(c(c1)Cl)C 7a_100011265682_100000038162 [0,2,0,0,0,0|1,0,1]=4 7949 B12R1.385 C#CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000184674 [0,2,0,0,0,0|1,0,1]=4 7950 B12R1.385 C#CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000038162 [0,2,0,0,0,0|1,0,1]=4 7951 B12R1.385 C#CCOc1ccc(c(c1)Cl)F 34a_100000211030_100000184674 [0,2,0,0,0,0|1,0,1]=4 7952 B12R1.385 C#CCOc1ccc(c(c1)Cl)F 7a_100000211030_100000038162 [0,2,0,0,0,0|1,0,1]=4 7953 B12R1.385 C#CCOc1ccc(c(c1)Cl)I 34a_100000047559_100000184674 [0,2,0,0,0,0|1,0,1]=4 7954 B12R1.385 C#CCOc1ccc(c(c1)Cl)I 7a_100000047559_100000038162 [0,2,0,0,0,0|1,0,1]=4 7955 B12R1.385 C#CCOc1ccc(c(c1)Cl)N 34a_100011215599_100000184674 [0,2,0,0,0,0|1,0,1]=4 7956 B12R1.385 C#CCOc1ccc(c(c1)Cl)N 7a_100011215599_100000038162 [0,2,0,0,0,0|1,0,1]=4 7957 B12R1.385 C#CCOc1ccc(c(c1)F)Br 34a_100000755031_100000184674 [0,2,0,0,0,0|1,0,1]=4 7958 B12R1.385 C#CCOc1ccc(c(c1)F)Br 7a_100000755031_100000038162 [0,2,0,0,0,0|1,0,1]=4 7959 B12R1.385 C#CCOc1ccc(c(c1)F)C 34a_100000722560_100000184674 [0,2,0,0,0,0|1,0,1]=4 7960 B12R1.385 C#CCOc1ccc(c(c1)F)C 7a_100000722560_100000038162 [0,2,0,0,0,0|1,0,1]=4 7961 B12R1.385 C#CCOc1ccc(c(c1)F)Cl 34a_100000691581_100000184674 [0,2,0,0,0,0|1,0,1]=4 7962 B12R1.385 C#CCOc1ccc(c(c1)F)Cl 7a_100000691581_100000038162 [0,2,0,0,0,0|1,0,1]=4 7963 B12R1.385 C#CCOc1ccc(c(c1)F)F 34a_100000181275_100000184674 [0,2,0,0,0,0|1,0,1]=4 7964 B12R1.385 C#CCOc1ccc(c(c1)F)F 7a_100000181275_100000038162 [0,2,0,0,0,0|1,0,1]=4 7965 B12R1.385 C#CCOc1ccc(c(c1)F)I 34a_100009990212_100000184674 [0,2,0,0,0,0|1,0,1]=4 7966 B12R1.385 C#CCOc1ccc(c(c1)F)I 7a_100009990212_100000038162 [0,2,0,0,0,0|1,0,1]=4 7967 B12R1.385 C#CCOc1ccc(c(c1)F)N 34a_100000759473_100000184674 [0,2,0,0,0,0|1,0,1]=4 7968 B12R1.385 C#CCOc1ccc(c(c1)F)N 7a_100000759473_100000038162 [0,2,0,0,0,0|1,0,1]=4 7969 B12R1.385 C#CCOc1ccc(c(c1)I)Br 34a_100012339312_100000184674 [0,2,0,0,0,0|1,0,1]=4 7970 B12R1.385 C#CCOc1ccc(c(c1)I)Br 7a_100012339312_100000038162 [0,2,0,0,0,0|1,0,1]=4 7971 B12R1.385 C#CCOc1ccc(c(c1)I)Cl 34a_100000049588_100000184674 [0,2,0,0,0,0|1,0,1]=4 7972 B12R1.385 C#CCOc1ccc(c(c1)I)Cl 7a_100000049588_100000038162 [0,2,0,0,0,0|1,0,1]=4 7973 B12R1.385 C#CCOc1ccc(c(c1)I)N 34a_100010084370_100000184674 [0,2,0,0,0,0|1,0,1]=4 7974 B12R1.385 C#CCOc1ccc(c(c1)I)N 7a_100010084370_100000038162 [0,2,0,0,0,0|1,0,1]=4 7975 B12R1.385 C#CCOc1ccc(c(c1)N)Br 34a_100011999798_100000184674 [0,2,0,0,0,0|1,0,1]=4 7976 B12R1.385 C#CCOc1ccc(c(c1)N)Br 7a_100011999798_100000038162 [0,2,0,0,0,0|1,0,1]=4 7977 B12R1.385 C#CCOc1ccc(c(c1)N)C 34a_100011216113_100000184674 [0,2,0,0,0,0|1,0,1]=4 7978 B12R1.385 C#CCOc1ccc(c(c1)N)C 7a_100011216113_100000038162 [0,2,0,0,0,0|1,0,1]=4 7979 B12R1.385 C#CCOc1ccc(c(c1)N)Cl 34a_100011934297_100000184674 [0,2,0,0,0,0|1,0,1]=4 7980 B12R1.385 C#CCOc1ccc(c(c1)N)F 34a_100012017239_100000184674 [0,2,0,0,0,0|1,0,1]=4 7981 B12R1.385 C#CCOc1ccc(c(c1)N)F 7a_100012017239_100000038162 [0,2,0,0,0,0|1,0,1]=4 7982 B12R1.385 C#CCOc1ccc(c(c1)N)N 34a_100025771000_100000184674 [0,2,0,0,0,0|1,0,1]=4 7983 B12R1.385 C=CCOc1ccc(c(c1)Br)C 34a_100011380479_100015514636 [0,2,0,0,0,0|1,0,1]=4 7984 B12R1.385 C=CCOc1ccc(c(c1)Br)C 7a_100011380479_100015514636 [0,2,0,0,0,0|1,0,1]=4 7985 B12R1.385 C=CCOc1ccc(c(c1)Br)Cl 34a_100011933957_100015514636 [0,2,0,0,0,0|1,0,1]=4 7986 B12R1.385 C=CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100015514636 [0,2,0,0,0,0|1,0,1]=4 7987 B12R1.385 C=CCOc1ccc(c(c1)Br)F 34a_100000693481_100015514636 [0,2,0,0,0,0|1,0,1]=4 7988 B12R1.385 C=CCOc1ccc(c(c1)Br)F 7a_100000693481_100015514636 [0,2,0,0,0,0|1,0,1]=4 7989 B12R1.385 C=CCOc1ccc(c(c1)Br)I 34a_100000701344_100015514636 [0,2,0,0,0,0|1,0,1]=4 7990 B12R1.385 C=CCOc1ccc(c(c1)Br)I 7a_100000701344_100015514636 [0,2,0,0,0,0|1,0,1]=4 7991 B12R1.385 C=CCOc1ccc(c(c1)Br)N 34a_100012001276_100015514636 [0,2,0,0,0,0|1,0,1]=4 7992 B12R1.385 C=CCOc1ccc(c(c1)Br)N 7a_100012001276_100015514636 [0,2,0,0,0,0|1,0,1]=4 7993 B12R1.385 C=CCOc1ccc(c(c1)C)Br 34a_100000690111_100015514636 [0,2,0,0,0,0|1,0,1]=4 7994 B12R1.385 C=CCOc1ccc(c(c1)C)Br 7a_100000690111_100015514636 [0,2,0,0,0,0|1,0,1]=4 7995 B12R1.385 C=CCOc1ccc(c(c1)C)C 34a_100000210932_100015514636 [0,2,0,0,0,0|1,0,1]=4 7996 B12R1.385 C=CCOc1ccc(c(c1)C)C 7a_100000210932_100015514636 [0,2,0,0,0,0|1,0,1]=4 7997 B12R1.385 C=CCOc1ccc(c(c1)C)Cl 34a_100000211092_100015514636 [0,2,0,0,0,0|1,0,1]=4 7998 B12R1.385 C=CCOc1ccc(c(c1)C)Cl 7a_100000211092_100015514636 [0,2,0,0,0,0|1,0,1]=4 7999 B12R1.385 C=CCOc1ccc(c(c1)C)F 34a_100000751312_100015514636 [0,2,0,0,0,0|1,0,1]=4 8000 B12R1.385 C=CCOc1ccc(c(c1)C)F 7a_100000751312_100015514636 [0,2,0,0,0,0|1,0,1]=4 8001 B12R1.385 C=CCOc1ccc(c(c1)C)I 34a_100000729255_100015514636 [0,2,0,0,0,0|1,0,1]=4 8002 B12R1.385 C=CCOc1ccc(c(c1)C)I 7a_100000729255_100015514636 [0,2,0,0,0,0|1,0,1]=4 8003 B12R1.385 C=CCOc1ccc(c(c1)C)N 34a_100000756630_100015514636 [0,2,0,0,0,0|1,0,1]=4 8004 B12R1.385 C=CCOc1ccc(c(c1)C)N 7a_100000756630_100015514636 [0,2,0,0,0,0|1,0,1]=4 8005 B12R1.385 C=CCOc1ccc(c(c1)Cl)Br 34a_100011215161_100015514636 [0,2,0,0,0,0|1,0,1]=4 8006 B12R1.385 C=CCOc1ccc(c(c1)Cl)Br 7a_100011215161_100015514636 [0,2,0,0,0,0|1,0,1]=4 8007 B12R1.385 C=CCOc1ccc(c(c1)Cl)C 34a_100011265682_100015514636 [0,2,0,0,0,0|1,0,1]=4 8008 B12R1.385 C=CCOc1ccc(c(c1)Cl)C 7a_100011265682_100015514636 [0,2,0,0,0,0|1,0,1]=4 8009 B12R1.385 C=CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100015514636 [0,2,0,0,0,0|1,0,1]=4 8010 B12R1.385 C=CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100015514636 [0,2,0,0,0,0|1,0,1]=4 8011 B12R1.385 C=CCOc1ccc(c(c1)Cl)F 34a_100000211030_100015514636 [0,2,0,0,0,0|1,0,1]=4 8012 B12R1.385 C=CCOc1ccc(c(c1)Cl)F 7a_100000211030_100015514636 [0,2,0,0,0,0|1,0,1]=4 8013 B12R1.385 C=CCOc1ccc(c(c1)Cl)I 34a_100000047559_100015514636 [0,2,0,0,0,0|1,0,1]=4 8014 B12R1.385 C=CCOc1ccc(c(c1)Cl)I 7a_100000047559_100015514636 [0,2,0,0,0,0|1,0,1]=4 8015 B12R1.385 C=CCOc1ccc(c(c1)Cl)N 34a_100011215599_100015514636 [0,2,0,0,0,0|1,0,1]=4 8016 B12R1.385 C=CCOc1ccc(c(c1)Cl)N 7a_100011215599_100015514636 [0,2,0,0,0,0|1,0,1]=4 8017 B12R1.385 C=CCOc1ccc(c(c1)F)Br 34a_100000755031_100015514636 [0,2,0,0,0,0|1,0,1]=4 8018 B12R1.385 C=CCOc1ccc(c(c1)F)Br 7a_100000755031_100015514636 [0,2,0,0,0,0|1,0,1]=4 8019 B12R1.385 C=CCOc1ccc(c(c1)F)C 34a_100000722560_100015514636 [0,2,0,0,0,0|1,0,1]=4 8020 B12R1.385 C=CCOc1ccc(c(c1)F)C 7a_100000722560_100015514636 [0,2,0,0,0,0|1,0,1]=4 8021 B12R1.385 C=CCOc1ccc(c(c1)F)Cl 34a_100000691581_100015514636 [0,2,0,0,0,0|1,0,1]=4 8022 B12R1.385 C=CCOc1ccc(c(c1)F)Cl 7a_100000691581_100015514636 [0,2,0,0,0,0|1,0,1]=4 8023 B12R1.385 C=CCOc1ccc(c(c1)F)F 34a_100000181275_100015514636 [0,2,0,0,0,0|1,0,1]=4 8024 B12R1.385 C=CCOc1ccc(c(c1)F)F 7a_100000181275_100015514636 [0,2,0,0,0,0|1,0,1]=4 8025 B12R1.385 C=CCOc1ccc(c(c1)F)I 34a_100009990212_100015514636 [0,2,0,0,0,0|1,0,1]=4 8026 B12R1.385 C=CCOc1ccc(c(c1)F)I 7a_100009990212_100015514636 [0,2,0,0,0,0|1,0,1]=4 8027 B12R1.385 C=CCOc1ccc(c(c1)F)N 34a_100000759473_100015514636 [0,2,0,0,0,0|1,0,1]=4 8028 B12R1.385 C=CCOc1ccc(c(c1)F)N 7a_100000759473_100015514636 [0,2,0,0,0,0|1,0,1]=4 8029 B12R1.385 C=CCOc1ccc(c(c1)I)Br 34a_100012339312_100015514636 [0,2,0,0,0,0|1,0,1]=4 8030 B12R1.385 C=CCOc1ccc(c(c1)I)Br 7a_100012339312_100015514636 [0,2,0,0,0,0|1,0,1]=4 8031 B12R1.385 C=CCOc1ccc(c(c1)I)Cl 34a_100000049588_100015514636 [0,2,0,0,0,0|1,0,1]=4 8032 B12R1.385 C=CCOc1ccc(c(c1)I)Cl 7a_100000049588_100015514636 [0,2,0,0,0,0|1,0,1]=4 8033 B12R1.385 C=CCOc1ccc(c(c1)I)N 34a_100010084370_100015514636 [0,2,0,0,0,0|1,0,1]=4 8034 B12R1.385 C=CCOc1ccc(c(c1)I)N 7a_100010084370_100015514636 [0,2,0,0,0,0|1,0,1]=4 8035 B12R1.385 C=CCOc1ccc(c(c1)N)Br 34a_100011999798_100015514636 [0,2,0,0,0,0|1,0,1]=4 8036 B12R1.385 C=CCOc1ccc(c(c1)N)Br 7a_100011999798_100015514636 [0,2,0,0,0,0|1,0,1]=4 8037 B12R1.385 C=CCOc1ccc(c(c1)N)C 34a_100011216113_100015514636 [0,2,0,0,0,0|1,0,1]=4 8038 B12R1.385 C=CCOc1ccc(c(c1)N)C 7a_100011216113_100015514636 [0,2,0,0,0,0|1,0,1]=4 8039 B12R1.385 C=CCOc1ccc(c(c1)N)Cl 34a_100011934297_100015514636 [0,2,0,0,0,0|1,0,1]=4 8040 B12R1.385 C=CCOc1ccc(c(c1)N)F 34a_100012017239_100015514636 [0,2,0,0,0,0|1,0,1]=4 8041 B12R1.385 C=CCOc1ccc(c(c1)N)F 7a_100012017239_100015514636 [0,2,0,0,0,0|1,0,1]=4 8042 B12R1.385 C=CCOc1ccc(c(c1)N)N 34a_100025771000_100015514636 [0,2,0,0,0,0|1,0,1]=4 8043 B12R1.385 CCCCc1ccc(c(c1)Br)Br 271570a_100020621405_100012356285 [0,2,0,0,0,0|2,0,0]=4 8044 B12R1.385 CCCCc1ccc(c(c1)Br)C 271570a_100020621405_100011847877 [0,2,0,0,0,0|2,0,0]=4 8045 B12R1.385 CCCCc1ccc(c(c1)Br)Cl 271570a_100020621405_100012353702 [0,2,0,0,0,0|2,0,0]=4 8046 B12R1.385 CCCCc1ccc(c(c1)Br)F 271570a_100020621405_100012047266 [0,2,0,0,0,0|2,0,0]=4 8047 B12R1.385 CCCCc1ccc(c(c1)Br)N 271570a_100020621405_100000750455 [0,2,0,0,0,0|2,0,0]=4 8048 B12R1.385 CCCCc1ccc(c(c1)Br)O 271570a_100020621405_100012361655 [0,2,0,0,0,0|2,0,0]=4 8049 B12R1.385 CCCCc1ccc(c(c1)C)Br 271570a_100020621405_100009813585 [0,2,0,0,0,0|2,0,0]=4 8050 B12R1.385 CCCCc1ccc(c(c1)C)C 271570a_100020621405_100011215607 [0,2,0,0,0,0|2,0,0]=4 8051 B12R1.385 CCCCc1ccc(c(c1)C)Cl 271570a_100020621405_100000049509 [0,2,0,0,0,0|2,0,0]=4 8052 B12R1.385 CCCCc1ccc(c(c1)C)F 271570a_100020621405_100011218330 [0,2,0,0,0,0|2,0,0]=4 8053 B12R1.385 CCCCc1ccc(c(c1)C)N 271570a_100020621405_100000211769 [0,2,0,0,0,0|2,0,0]=4 8054 B12R1.385 CCCCc1ccc(c(c1)C)O 271570a_100020621405_100000186361 [0,2,0,0,0,0|2,0,0]=4 8055 B12R1.385 CCCCc1ccc(c(c1)Cl)Br 271570a_100020621405_100012047281 [0,2,0,0,0,0|2,0,0]=4 8056 B12R1.385 CCCCc1ccc(c(c1)Cl)C 271570a_100020621405_100011216363 [0,2,0,0,0,0|2,0,0]=4 8057 B12R1.385 CCCCc1ccc(c(c1)Cl)Cl 271570a_100020621405_100011214914 [0,2,0,0,0,0|2,0,0]=4 8058 B12R1.385 CCCCc1ccc(c(c1)Cl)F 271570a_100020621405_100011215976 [0,2,0,0,0,0|2,0,0]=4 8059 B12R1.385 CCCCc1ccc(c(c1)Cl)N 271570a_100020621405_100011218065 [0,2,0,0,0,0|2,0,0]=4 8060 B12R1.385 CCCCc1ccc(c(c1)Cl)O 271570a_100020621405_100012360047 [0,2,0,0,0,0|2,0,0]=4 8061 B12R1.385 CCCCc1ccc(c(c1)F)Br 271570a_100020621405_100000685389 [0,2,0,0,0,0|2,0,0]=4 8062 B12R1.385 CCCCc1ccc(c(c1)F)C 271570a_100020621405_100000720648 [0,2,0,0,0,0|2,0,0]=4 8063 B12R1.385 CCCCc1ccc(c(c1)F)Cl 271570a_100020621405_100011216805 [0,2,0,0,0,0|2,0,0]=4 8064 B12R1.385 CCCCc1ccc(c(c1)F)F 271570a_100020621405_100000750028 [0,2,0,0,0,0|2,0,0]=4 8065 B12R1.385 CCCCc1ccc(c(c1)F)N 271570a_100020621405_100011215594 [0,2,0,0,0,0|2,0,0]=4 8066 B12R1.385 CCCCc1ccc(c(c1)F)O 271570a_100020621405_100000185481 [0,2,0,0,0,0|2,0,0]=4 8067 B12R1.385 CCCCc1ccc(c(c1)N)Br 271570a_100020621405_100000750456 [0,2,0,0,0,0|2,0,0]=4 8068 B12R1.385 CCCCc1ccc(c(c1)N)C 271570a_100020621405_100000761890 [0,2,0,0,0,0|2,0,0]=4 8069 B12R1.385 CCCCc1ccc(c(c1)N)Cl 271570a_100020621405_200000761891 [0,2,0,0,0,0|2,0,0]=4 8070 B12R1.385 CCCCc1ccc(c(c1)N)F 271570a_100020621405_100000740924 [0,2,0,0,0,0|2,0,0]=4 8071 B12R1.385 CCCCc1ccc(c(c1)N)N 271570a_100020621405_100000741789 [0,2,0,0,0,0|2,0,0]=4 8072 B12R1.385 CCCCc1ccc(c(c1)N)O 271570a_100020621405_100000752626 [0,2,0,0,0,0|2,0,0]=4 8073 B12R1.385 CCCCc1ccc(c(c1)O)Br 271570a_100020621405_100012356990 [0,2,0,0,0,0|2,0,0]=4 8074 B12R1.385 CCCCc1ccc(c(c1)O)C 271570a_100020621405_100000766334 [0,2,0,0,0,0|2,0,0]=4 8075 B12R1.385 CCCCc1ccc(c(c1)O)Cl 271570a_100020621405_100011356854 [0,2,0,0,0,0|2,0,0]=4 8076 B12R1.385 CCCCc1ccc(c(c1)O)F 271570a_100020621405_100000686035 [0,2,0,0,0,0|2,0,0]=4 8077 B12R1.385 CCCCc1ccc(c(c1)O)N 271570a_100020621405_100000739049 [0,2,0,0,0,0|2,0,0]=4 8078 B12R1.385 CCCCc1ccc(c(c1)O)O 271570a_100020621405_100009813601 [0,2,0,0,0,0|2,0,0]=4 8079 B12R1.385 CCCNc1ccc(c(c1)Br)Br 2230a_100011306057_100000210303 [0,2,0,0,0,0|2,0,0]=4 8080 B12R1.385 CCCNc1ccc(c(c1)Br)Br 34a_100011306057_100000210303 [0,2,0,0,0,0|2,0,0]=4 8081 B12R1.385 CCCNc1ccc(c(c1)Br)Br 7a_100011306057_100000210303 [0,2,0,0,0,0|2,0,0]=4 8082 B12R1.385 CCCNc1ccc(c(c1)Br)C 2230a_100000736455_100000210303 [0,2,0,0,0,0|2,0,0]=4 8083 B12R1.385 CCCNc1ccc(c(c1)Br)C 34a_100000736455_100000210303 [0,2,0,0,0,0|2,0,0]=4 8084 B12R1.385 CCCNc1ccc(c(c1)Br)C 7a_100000736455_100000210303 [0,2,0,0,0,0|2,0,0]=4 8085 B12R1.385 CCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000210303 [0,2,0,0,0,0|2,0,0]=4 8086 B12R1.385 CCCNc1ccc(c(c1)Br)Cl 34a_100000686031_100000210303 [0,2,0,0,0,0|2,0,0]=4 8087 B12R1.385 CCCNc1ccc(c(c1)Br)F 2230a_100000760356_100000210303 [0,2,0,0,0,0|2,0,0]=4 8088 B12R1.385 CCCNc1ccc(c(c1)Br)F 34a_100000760356_100000210303 [0,2,0,0,0,0|2,0,0]=4 8089 B12R1.385 CCCNc1ccc(c(c1)Br)F 7a_100000760356_100000210303 [0,2,0,0,0,0|2,0,0]=4 8090 B12R1.385 CCCNc1ccc(c(c1)Br)I 34a_100000750458_100000210303 [0,2,0,0,0,0|2,0,0]=4 8091 B12R1.385 CCCNc1ccc(c(c1)Br)O 34a_100011534360_100000210303 [0,2,0,0,0,0|2,0,0]=4 8092 B12R1.385 CCCNc1ccc(c(c1)C)Br 2230a_100000210723_100000210303 [0,2,0,0,0,0|2,0,0]=4 8093 B12R1.385 CCCNc1ccc(c(c1)C)Br 34a_100000210723_100000210303 [0,2,0,0,0,0|2,0,0]=4 8094 B12R1.385 CCCNc1ccc(c(c1)C)Br 7a_100000210723_100000210303 [0,2,0,0,0,0|2,0,0]=4 8095 B12R1.385 CCCNc1ccc(c(c1)C)C 2230a_100000724040_100000210303 [0,2,0,0,0,0|2,0,0]=4 8096 B12R1.385 CCCNc1ccc(c(c1)C)C 34a_100000724040_100000210303 [0,2,0,0,0,0|2,0,0]=4 8097 B12R1.385 CCCNc1ccc(c(c1)C)C 7a_100000724040_100000210303 [0,2,0,0,0,0|2,0,0]=4 8098 B12R1.385 CCCNc1ccc(c(c1)C)Cl 2230a_100000187808_100000210303 [0,2,0,0,0,0|2,0,0]=4 8099 B12R1.385 CCCNc1ccc(c(c1)C)Cl 34a_100000187808_100000210303 [0,2,0,0,0,0|2,0,0]=4 8100 B12R1.385 CCCNc1ccc(c(c1)C)Cl 7a_100000187808_100000210303 [0,2,0,0,0,0|2,0,0]=4 8101 B12R1.385 CCCNc1ccc(c(c1)C)F 2230a_100000750164_100000210303 [0,2,0,0,0,0|2,0,0]=4 8102 B12R1.385 CCCNc1ccc(c(c1)C)F 34a_100000750164_100000210303 [0,2,0,0,0,0|2,0,0]=4 8103 B12R1.385 CCCNc1ccc(c(c1)C)F 7a_100000750164_100000210303 [0,2,0,0,0,0|2,0,0]=4 8104 B12R1.385 CCCNc1ccc(c(c1)C)I 34a_100000198070_100000210303 [0,2,0,0,0,0|2,0,0]=4 8105 B12R1.385 CCCNc1ccc(c(c1)C)I 7a_100000198070_100000210303 [0,2,0,0,0,0|2,0,0]=4 8106 B12R1.385 CCCNc1ccc(c(c1)C)O 34a_100011218179_100000210303 [0,2,0,0,0,0|2,0,0]=4 8107 B12R1.385 CCCNc1ccc(c(c1)C)O 7a_100011218179_100000210303 [0,2,0,0,0,0|2,0,0]=4 8108 B12R1.385 CCCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000210303 [0,2,0,0,0,0|2,0,0]=4 8109 B12R1.385 CCCNc1ccc(c(c1)Cl)Br 34a_100000687081_100000210303 [0,2,0,0,0,0|2,0,0]=4 8110 B12R1.385 CCCNc1ccc(c(c1)Cl)Br 7a_100000687081_100000210303 [0,2,0,0,0,0|2,0,0]=4 8111 B12R1.385 CCCNc1ccc(c(c1)Cl)C 2230a_100000188892_100000210303 [0,2,0,0,0,0|2,0,0]=4 8112 B12R1.385 CCCNc1ccc(c(c1)Cl)C 34a_100000188892_100000210303 [0,2,0,0,0,0|2,0,0]=4 8113 B12R1.385 CCCNc1ccc(c(c1)Cl)C 7a_100000188892_100000210303 [0,2,0,0,0,0|2,0,0]=4 8114 B12R1.385 CCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000210303 [0,2,0,0,0,0|2,0,0]=4 8115 B12R1.385 CCCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000210303 [0,2,0,0,0,0|2,0,0]=4 8116 B12R1.385 CCCNc1ccc(c(c1)Cl)F 2230a_100000211060_100000210303 [0,2,0,0,0,0|2,0,0]=4 8117 B12R1.385 CCCNc1ccc(c(c1)Cl)F 34a_100000211060_100000210303 [0,2,0,0,0,0|2,0,0]=4 8118 B12R1.385 CCCNc1ccc(c(c1)Cl)F 7a_100000211060_100000210303 [0,2,0,0,0,0|2,0,0]=4 8119 B12R1.385 CCCNc1ccc(c(c1)Cl)I 34a_100000761885_100000210303 [0,2,0,0,0,0|2,0,0]=4 8120 B12R1.385 CCCNc1ccc(c(c1)Cl)O 34a_100000744943_100000210303 [0,2,0,0,0,0|2,0,0]=4 8121 B12R1.385 CCCNc1ccc(c(c1)F)Br 2230a_100000759894_100000210303 [0,2,0,0,0,0|2,0,0]=4 8122 B12R1.385 CCCNc1ccc(c(c1)F)Br 34a_100000759894_100000210303 [0,2,0,0,0,0|2,0,0]=4 8123 B12R1.385 CCCNc1ccc(c(c1)F)Br 7a_100000759894_100000210303 [0,2,0,0,0,0|2,0,0]=4 8124 B12R1.385 CCCNc1ccc(c(c1)F)C 2230a_100000210958_100000210303 [0,2,0,0,0,0|2,0,0]=4 8125 B12R1.385 CCCNc1ccc(c(c1)F)C 34a_100000210958_100000210303 [0,2,0,0,0,0|2,0,0]=4 8126 B12R1.385 CCCNc1ccc(c(c1)F)C 7a_100000210958_100000210303 [0,2,0,0,0,0|2,0,0]=4 8127 B12R1.385 CCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000210303 [0,2,0,0,0,0|2,0,0]=4 8128 B12R1.385 CCCNc1ccc(c(c1)F)Cl 34a_100000739366_100000210303 [0,2,0,0,0,0|2,0,0]=4 8129 B12R1.385 CCCNc1ccc(c(c1)F)Cl 7a_100000739366_100000210303 [0,2,0,0,0,0|2,0,0]=4 8130 B12R1.385 CCCNc1ccc(c(c1)F)F 2230a_100000210724_100000210303 [0,2,0,0,0,0|2,0,0]=4 8131 B12R1.385 CCCNc1ccc(c(c1)F)F 34a_100000210724_100000210303 [0,2,0,0,0,0|2,0,0]=4 8132 B12R1.385 CCCNc1ccc(c(c1)F)F 7a_100000210724_100000210303 [0,2,0,0,0,0|2,0,0]=4 8133 B12R1.385 CCCNc1ccc(c(c1)F)I 34a_100011356925_100000210303 [0,2,0,0,0,0|2,0,0]=4 8134 B12R1.385 CCCNc1ccc(c(c1)F)I 7a_100011356925_100000210303 [0,2,0,0,0,0|2,0,0]=4 8135 B12R1.385 CCCNc1ccc(c(c1)F)O 34a_100011220035_100000210303 [0,2,0,0,0,0|2,0,0]=4 8136 B12R1.385 CCCNc1ccc(c(c1)F)O 7a_100011220035_100000210303 [0,2,0,0,0,0|2,0,0]=4 8137 B12R1.385 CCCNc1ccc(c(c1)I)Br 34a_100000750459_100000210303 [0,2,0,0,0,0|2,0,0]=4 8138 B12R1.385 CCCNc1ccc(c(c1)I)C 34a_100000184131_100000210303 [0,2,0,0,0,0|2,0,0]=4 8139 B12R1.385 CCCNc1ccc(c(c1)I)C 7a_100000184131_100000210303 [0,2,0,0,0,0|2,0,0]=4 8140 B12R1.385 CCCNc1ccc(c(c1)I)Cl 34a_100012360549_100000210303 [0,2,0,0,0,0|2,0,0]=4 8141 B12R1.385 CCCNc1ccc(c(c1)I)F 34a_114828291077_100000210303 [0,2,0,0,0,0|2,0,0]=4 8142 B12R1.385 CCCNc1ccc(c(c1)I)F 7a_114828291077_100000210303 [0,2,0,0,0,0|2,0,0]=4 8143 B12R1.385 CCCNc1ccc(c(c1)O)C 34a_100000759471_100000210303 [0,2,0,0,0,0|2,0,0]=4 8144 B12R1.385 CCCNc1ccc(c(c1)O)C 7a_100000759471_100000210303 [0,2,0,0,0,0|2,0,0]=4 8145 B12R1.385 CCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000210303 [0,2,0,0,0,0|2,0,0]=4 8146 B12R1.385 CCCNc1ccc(c(c1)O)F 34a_100012017398_100000210303 [0,2,0,0,0,0|2,0,0]=4 8147 B12R1.385 CCCNc1ccc(c(c1)O)F 7a_100012017398_100000210303 [0,2,0,0,0,0|2,0,0]=4 8148 B12R1.385 CCCNc1ccc(c(c1)O)O 34a_100102946323_100000210303 [0,2,0,0,0,0|2,0,0]=4 8149 B12R1.385 CCCOc1cc(c(cn1)Br)C 34a_100000766222_100000210303 [0,2,0,0,0,0|2,0,0]=4 8150 B12R1.385 CCCOc1cc(c(cn1)Br)Cl 34a_100010369989_100000210303 [0,2,0,0,0,0|2,0,0]=4 8151 B12R1.385 CCCOc1cc(c(cn1)C)Br 34a_100009831917_100000210303 [0,2,0,0,0,0|2,0,0]=4 8152 B12R1.385 CCCOc1cc(c(cn1)Cl)C 34a_200000085746_100000210303 [0,2,0,0,0,0|2,0,0]=4 8153 B12R1.385 CCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100000210303 [0,2,0,0,0,0|2,0,0]=4 8154 B12R1.385 CCCOc1ccc(c(c1)Br)C 34a_100011380479_100000210303 [0,2,0,0,0,0|1,0,0]=3 8155 B12R1.385 CCCOc1ccc(c(c1)Br)C 7a_100011380479_100000210303 [0,2,0,0,0,0|1,0,0]=3 8156 B12R1.385 CCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000210303 [0,2,0,0,0,0|1,0,0]=3 8157 B12R1.385 CCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000210303 [0,2,0,0,0,0|1,0,0]=3 8158 B12R1.385 CCCOc1ccc(c(c1)Br)F 34a_100000693481_100000210303 [0,2,0,0,0,0|1,0,0]=3 8159 B12R1.385 CCCOc1ccc(c(c1)Br)F 7a_100000693481_100000210303 [0,2,0,0,0,0|1,0,0]=3 8160 B12R1.385 CCCOc1ccc(c(c1)Br)I 34a_100000701344_100000210303 [0,2,0,0,0,0|1,0,0]=3 8161 B12R1.385 CCCOc1ccc(c(c1)Br)I 7a_100000701344_100000210303 [0,2,0,0,0,0|1,0,0]=3 8162 B12R1.385 CCCOc1ccc(c(c1)Br)N 34a_100012001276_100000210303 [0,2,0,0,0,0|1,0,0]=3 8163 B12R1.385 CCCOc1ccc(c(c1)Br)N 7a_100012001276_100000210303 [0,2,0,0,0,0|1,0,0]=3 8164 B12R1.385 CCCOc1ccc(c(c1)C)Br 34a_100000690111_100000210303 [0,2,0,0,0,0|1,0,0]=3 8165 B12R1.385 CCCOc1ccc(c(c1)C)Br 7a_100000690111_100000210303 [0,2,0,0,0,0|1,0,0]=3 8166 B12R1.385 CCCOc1ccc(c(c1)C)C 34a_100000210932_100000210303 [0,2,0,0,0,0|1,0,0]=3 8167 B12R1.385 CCCOc1ccc(c(c1)C)C 7a_100000210932_100000210303 [0,2,0,0,0,0|1,0,0]=3 8168 B12R1.385 CCCOc1ccc(c(c1)C)Cl 34a_100000211092_100000210303 [0,2,0,0,0,0|1,0,0]=3 8169 B12R1.385 CCCOc1ccc(c(c1)C)Cl 7a_100000211092_100000210303 [0,2,0,0,0,0|1,0,0]=3 8170 B12R1.385 CCCOc1ccc(c(c1)C)F 34a_100000751312_100000210303 [0,2,0,0,0,0|1,0,0]=3 8171 B12R1.385 CCCOc1ccc(c(c1)C)F 7a_100000751312_100000210303 [0,2,0,0,0,0|1,0,0]=3 8172 B12R1.385 CCCOc1ccc(c(c1)C)I 34a_100000729255_100000210303 [0,2,0,0,0,0|1,0,0]=3 8173 B12R1.385 CCCOc1ccc(c(c1)C)I 7a_100000729255_100000210303 [0,2,0,0,0,0|1,0,0]=3 8174 B12R1.385 CCCOc1ccc(c(c1)C)N 34a_100000756630_100000210303 [0,2,0,0,0,0|1,0,0]=3 8175 B12R1.385 CCCOc1ccc(c(c1)C)N 7a_100000756630_100000210303 [0,2,0,0,0,0|1,0,0]=3 8176 B12R1.385 CCCOc1ccc(c(c1)C)O 271570a_203496583355_200012361509 [0,2,0,0,0,0|1,0,0]=3 8177 B12R1.385 CCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000210303 [0,2,0,0,0,0|1,0,0]=3 8178 B12R1.385 CCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000210303 [0,2,0,0,0,0|1,0,0]=3 8179 B12R1.385 CCCOc1ccc(c(c1)Cl)C 34a_100011265682_100000210303 [0,2,0,0,0,0|1,0,0]=3 8180 B12R1.385 CCCOc1ccc(c(c1)Cl)C 7a_100011265682_100000210303 [0,2,0,0,0,0|1,0,0]=3 8181 B12R1.385 CCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000210303 [0,2,0,0,0,0|1,0,0]=3 8182 B12R1.385 CCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000210303 [0,2,0,0,0,0|1,0,0]=3 8183 B12R1.385 CCCOc1ccc(c(c1)Cl)F 34a_100000211030_100000210303 [0,2,0,0,0,0|1,0,0]=3 8184 B12R1.385 CCCOc1ccc(c(c1)Cl)F 7a_100000211030_100000210303 [0,2,0,0,0,0|1,0,0]=3 8185 B12R1.385 CCCOc1ccc(c(c1)Cl)I 34a_100000047559_100000210303 [0,2,0,0,0,0|1,0,0]=3 8186 B12R1.385 CCCOc1ccc(c(c1)Cl)I 7a_100000047559_100000210303 [0,2,0,0,0,0|1,0,0]=3 8187 B12R1.385 CCCOc1ccc(c(c1)Cl)N 34a_100011215599_100000210303 [0,2,0,0,0,0|1,0,0]=3 8188 B12R1.385 CCCOc1ccc(c(c1)Cl)N 7a_100011215599_100000210303 [0,2,0,0,0,0|1,0,0]=3 8189 B12R1.385 CCCOc1ccc(c(c1)F)Br 34a_100000755031_100000210303 [0,2,0,0,0,0|1,0,0]=3 8190 B12R1.385 CCCOc1ccc(c(c1)F)Br 7a_100000755031_100000210303 [0,2,0,0,0,0|1,0,0]=3 8191 B12R1.385 CCCOc1ccc(c(c1)F)C 34a_100000722560_100000210303 [0,2,0,0,0,0|1,0,0]=3 8192 B12R1.385 CCCOc1ccc(c(c1)F)C 7a_100000722560_100000210303 [0,2,0,0,0,0|1,0,0]=3 8193 B12R1.385 CCCOc1ccc(c(c1)F)Cl 34a_100000691581_100000210303 [0,2,0,0,0,0|1,0,0]=3 8194 B12R1.385 CCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000210303 [0,2,0,0,0,0|1,0,0]=3 8195 B12R1.385 CCCOc1ccc(c(c1)F)F 34a_100000181275_100000210303 [0,2,0,0,0,0|1,0,0]=3 8196 B12R1.385 CCCOc1ccc(c(c1)F)F 7a_100000181275_100000210303 [0,2,0,0,0,0|1,0,0]=3 8197 B12R1.385 CCCOc1ccc(c(c1)F)I 34a_100009990212_100000210303 [0,2,0,0,0,0|1,0,0]=3 8198 B12R1.385 CCCOc1ccc(c(c1)F)I 7a_100009990212_100000210303 [0,2,0,0,0,0|1,0,0]=3 8199 B12R1.385 CCCOc1ccc(c(c1)F)N 34a_100000759473_100000210303 [0,2,0,0,0,0|1,0,0]=3 8200 B12R1.385 CCCOc1ccc(c(c1)F)N 7a_100000759473_100000210303 [0,2,0,0,0,0|1,0,0]=3 8201 B12R1.385 CCCOc1ccc(c(c1)F)O 271570a_203496583355_200012236930 [0,2,0,0,0,0|1,0,0]=3 8202 B12R1.385 CCCOc1ccc(c(c1)I)Br 34a_100012339312_100000210303 [0,2,0,0,0,0|1,0,0]=3 8203 B12R1.385 CCCOc1ccc(c(c1)I)Br 7a_100012339312_100000210303 [0,2,0,0,0,0|1,0,0]=3 8204 B12R1.385 CCCOc1ccc(c(c1)I)Cl 34a_100000049588_100000210303 [0,2,0,0,0,0|1,0,0]=3 8205 B12R1.385 CCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000210303 [0,2,0,0,0,0|1,0,0]=3 8206 B12R1.385 CCCOc1ccc(c(c1)I)N 34a_100010084370_100000210303 [0,2,0,0,0,0|1,0,0]=3 8207 B12R1.385 CCCOc1ccc(c(c1)I)N 7a_100010084370_100000210303 [0,2,0,0,0,0|1,0,0]=3 8208 B12R1.385 CCCOc1ccc(c(c1)N)Br 34a_100011999798_100000210303 [0,2,0,0,0,0|1,0,0]=3 8209 B12R1.385 CCCOc1ccc(c(c1)N)Br 7a_100011999798_100000210303 [0,2,0,0,0,0|1,0,0]=3 8210 B12R1.385 CCCOc1ccc(c(c1)N)C 34a_100011216113_100000210303 [0,2,0,0,0,0|1,0,0]=3 8211 B12R1.385 CCCOc1ccc(c(c1)N)C 7a_100011216113_100000210303 [0,2,0,0,0,0|1,0,0]=3 8212 B12R1.385 CCCOc1ccc(c(c1)N)Cl 34a_100011934297_100000210303 [0,2,0,0,0,0|1,0,0]=3 8213 B12R1.385 CCCOc1ccc(c(c1)N)F 34a_100012017239_100000210303 [0,2,0,0,0,0|1,0,0]=3 8214 B12R1.385 CCCOc1ccc(c(c1)N)F 7a_100012017239_100000210303 [0,2,0,0,0,0|1,0,0]=3 8215 B12R1.385 CCCOc1ccc(c(c1)N)N 34a_100025771000_100000210303 [0,2,0,0,0,0|1,0,0]=3 8216 B12R1.385 CCCOc1ccc(c(n1)C)Br 34a_100000691680_100000210303 [0,2,0,0,0,0|2,0,0]=4 8217 B12R1.385 CCCOc1ccc(c(n1)C)Cl 34a_200009863735_100000210303 [0,2,0,0,0,0|2,0,0]=4 8218 B12R1.385 CCCOc1ccc(c(n1)C)O 271570a_203496583355_200012343549 [0,2,0,0,0,0|2,0,0]=4 8219 B12R1.385 CCCOc1ccc(c(n1)F)Br 34a_100009879308_100000210303 [0,2,0,0,0,0|2,0,0]=4 8220 B12R1.385 CCCOc1cnc(c(c1)Br)C 34a_100009819603_100000210303 [0,2,0,0,0,0|2,0,0]=4 8221 B12R1.385 CCCOc1cnc(c(c1)Br)C 7a_100009819603_100000210303 [0,2,0,0,0,0|2,0,0]=4 8222 B12R1.385 CCCOc1cnc(c(c1)Br)Cl 34a_100012356455_100000210303 [0,2,0,0,0,0|2,0,0]=4 8223 B12R1.385 CCCOc1cnc(c(c1)Br)Cl 7a_100012356455_100000210303 [0,2,0,0,0,0|2,0,0]=4 8224 B12R1.385 CCCOc1cnc(c(c1)Br)F 34a_100009817267_100000210303 [0,2,0,0,0,0|2,0,0]=4 8225 B12R1.385 CCCOc1cnc(c(c1)Br)F 7a_100009817267_100000210303 [0,2,0,0,0,0|2,0,0]=4 8226 B12R1.385 CCCOc1cnc(c(c1)C)Br 34a_100012000486_100000210303 [0,2,0,0,0,0|2,0,0]=4 8227 B12R1.385 CCCOc1cnc(c(c1)C)Br 7a_100012000486_100000210303 [0,2,0,0,0,0|2,0,0]=4 8228 B12R1.385 CCCOc1cnc(c(c1)C)C 34a_100009854398_100000210303 [0,2,0,0,0,0|2,0,0]=4 8229 B12R1.385 CCCOc1cnc(c(c1)C)C 7a_100009854398_100000210303 [0,2,0,0,0,0|2,0,0]=4 8230 B12R1.385 CCCOc1cnc(c(c1)C)Cl 34a_100012002680_100000210303 [0,2,0,0,0,0|2,0,0]=4 8231 B12R1.385 CCCOc1cnc(c(c1)C)Cl 7a_100012002680_100000210303 [0,2,0,0,0,0|2,0,0]=4 8232 B12R1.385 CCCOc1cnc(c(c1)C)F 34a_100000094615_100000210303 [0,2,0,0,0,0|2,0,0]=4 8233 B12R1.385 CCCOc1cnc(c(c1)C)F 7a_100000094615_100000210303 [0,2,0,0,0,0|2,0,0]=4 8234 B12R1.385 CCCOc1cnc(c(c1)Cl)Br 34a_100010209684_100000210303 [0,2,0,0,0,0|2,0,0]=4 8235 B12R1.385 CCCOc1cnc(c(c1)Cl)Br 7a_100010209684_100000210303 [0,2,0,0,0,0|2,0,0]=4 8236 B12R1.385 CCCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100000210303 [0,2,0,0,0,0|2,0,0]=4 8237 B12R1.385 CCCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100000210303 [0,2,0,0,0,0|2,0,0]=4 8238 B12R1.385 CCCOc1cnc(c(c1)Cl)F 34a_100000087088_100000210303 [0,2,0,0,0,0|2,0,0]=4 8239 B12R1.385 CCCOc1cnc(c(c1)Cl)F 7a_100000087088_100000210303 [0,2,0,0,0,0|2,0,0]=4 8240 B12R1.385 CCCOc1cnc(c(c1)F)Cl 34a_100000063512_100000210303 [0,2,0,0,0,0|2,0,0]=4 8241 B12R1.385 CCCOc1cnc(c(c1)F)Cl 7a_100000063512_100000210303 [0,2,0,0,0,0|2,0,0]=4 8242 B12R1.385 CCCSc1ccc(c(c1)Br)Br 62a_100000210303_100012356285 [0,2,0,0,0,0|1,1,0]=4 8243 B12R1.385 CCCSc1ccc(c(c1)Br)Br 62a_100012356285_100000210303 [0,2,0,0,0,0|1,1,0]=4 8244 B12R1.385 CCCSc1ccc(c(c1)Br)C 62a_100000210303_100011847877 [0,2,0,0,0,0|1,1,0]=4 8245 B12R1.385 CCCSc1ccc(c(c1)Br)C 62a_100011847877_100000210303 [0,2,0,0,0,0|1,1,0]=4 8246 B12R1.385 CCCSc1ccc(c(c1)Br)Cl 62a_100000210303_100012353702 [0,2,0,0,0,0|1,1,0]=4 8247 B12R1.385 CCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000210303 [0,2,0,0,0,0|1,1,0]=4 8248 B12R1.385 CCCSc1ccc(c(c1)Br)F 62a_100000210303_100012047266 [0,2,0,0,0,0|1,1,0]=4 8249 B12R1.385 CCCSc1ccc(c(c1)Br)F 62a_100012047266_100000210303 [0,2,0,0,0,0|1,1,0]=4 8250 B12R1.385 CCCSc1ccc(c(c1)Br)N 62a_100000210303_100000750455 [0,2,0,0,0,0|1,1,0]=4 8251 B12R1.385 CCCSc1ccc(c(c1)Br)N 62a_100000750455_100000210303 [0,2,0,0,0,0|1,1,0]=4 8252 B12R1.385 CCCSc1ccc(c(c1)Br)O 62a_100000210303_100012361655 [0,2,0,0,0,0|1,1,0]=4 8253 B12R1.385 CCCSc1ccc(c(c1)Br)O 62a_100012361655_100000210303 [0,2,0,0,0,0|1,1,0]=4 8254 B12R1.385 CCCSc1ccc(c(c1)C)Br 62a_100000210303_100009813585 [0,2,0,0,0,0|1,1,0]=4 8255 B12R1.385 CCCSc1ccc(c(c1)C)Br 62a_100009813585_100000210303 [0,2,0,0,0,0|1,1,0]=4 8256 B12R1.385 CCCSc1ccc(c(c1)C)C 62a_100000210303_100011215607 [0,2,0,0,0,0|1,1,0]=4 8257 B12R1.385 CCCSc1ccc(c(c1)C)C 62a_100011215607_100000210303 [0,2,0,0,0,0|1,1,0]=4 8258 B12R1.385 CCCSc1ccc(c(c1)C)Cl 62a_100000049509_100000210303 [0,2,0,0,0,0|1,1,0]=4 8259 B12R1.385 CCCSc1ccc(c(c1)C)Cl 62a_100000210303_100000049509 [0,2,0,0,0,0|1,1,0]=4 8260 B12R1.385 CCCSc1ccc(c(c1)C)F 62a_100000210303_100011218330 [0,2,0,0,0,0|1,1,0]=4 8261 B12R1.385 CCCSc1ccc(c(c1)C)F 62a_100011218330_100000210303 [0,2,0,0,0,0|1,1,0]=4 8262 B12R1.385 CCCSc1ccc(c(c1)C)N 62a_100000210303_100000211769 [0,2,0,0,0,0|1,1,0]=4 8263 B12R1.385 CCCSc1ccc(c(c1)C)N 62a_100000211769_100000210303 [0,2,0,0,0,0|1,1,0]=4 8264 B12R1.385 CCCSc1ccc(c(c1)C)O 62a_100000210303_100000186361 [0,2,0,0,0,0|1,1,0]=4 8265 B12R1.385 CCCSc1ccc(c(c1)Cl)Br 62a_100000210303_100012047281 [0,2,0,0,0,0|1,1,0]=4 8266 B12R1.385 CCCSc1ccc(c(c1)Cl)Br 62a_100012047281_100000210303 [0,2,0,0,0,0|1,1,0]=4 8267 B12R1.385 CCCSc1ccc(c(c1)Cl)C 62a_100000210303_100011216363 [0,2,0,0,0,0|1,1,0]=4 8268 B12R1.385 CCCSc1ccc(c(c1)Cl)C 62a_100011216363_100000210303 [0,2,0,0,0,0|1,1,0]=4 8269 B12R1.385 CCCSc1ccc(c(c1)Cl)Cl 62a_100000210303_100011214914 [0,2,0,0,0,0|1,1,0]=4 8270 B12R1.385 CCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000210303 [0,2,0,0,0,0|1,1,0]=4 8271 B12R1.385 CCCSc1ccc(c(c1)Cl)F 62a_100000210303_100011215976 [0,2,0,0,0,0|1,1,0]=4 8272 B12R1.385 CCCSc1ccc(c(c1)Cl)F 62a_100011215976_100000210303 [0,2,0,0,0,0|1,1,0]=4 8273 B12R1.385 CCCSc1ccc(c(c1)Cl)N 62a_100000210303_100011218065 [0,2,0,0,0,0|1,1,0]=4 8274 B12R1.385 CCCSc1ccc(c(c1)Cl)N 62a_100011218065_100000210303 [0,2,0,0,0,0|1,1,0]=4 8275 B12R1.385 CCCSc1ccc(c(c1)Cl)O 62a_100000210303_100012360047 [0,2,0,0,0,0|1,1,0]=4 8276 B12R1.385 CCCSc1ccc(c(c1)Cl)O 62a_100012360047_100000210303 [0,2,0,0,0,0|1,1,0]=4 8277 B12R1.385 CCCSc1ccc(c(c1)F)Br 62a_100000210303_100000685389 [0,2,0,0,0,0|1,1,0]=4 8278 B12R1.385 CCCSc1ccc(c(c1)F)Br 62a_100000685389_100000210303 [0,2,0,0,0,0|1,1,0]=4 8279 B12R1.385 CCCSc1ccc(c(c1)F)C 62a_100000210303_100000720648 [0,2,0,0,0,0|1,1,0]=4 8280 B12R1.385 CCCSc1ccc(c(c1)F)C 62a_100000720648_100000210303 [0,2,0,0,0,0|1,1,0]=4 8281 B12R1.385 CCCSc1ccc(c(c1)F)Cl 62a_100000210303_100011216805 [0,2,0,0,0,0|1,1,0]=4 8282 B12R1.385 CCCSc1ccc(c(c1)F)Cl 62a_100011216805_100000210303 [0,2,0,0,0,0|1,1,0]=4 8283 B12R1.385 CCCSc1ccc(c(c1)F)F 62a_100000210303_100000703953 [0,2,0,0,0,0|1,1,0]=4 8284 B12R1.385 CCCSc1ccc(c(c1)F)F 62a_100000703953_100000210303 [0,2,0,0,0,0|1,1,0]=4 8285 B12R1.385 CCCSc1ccc(c(c1)F)N 62a_100000210303_100011215594 [0,2,0,0,0,0|1,1,0]=4 8286 B12R1.385 CCCSc1ccc(c(c1)F)N 62a_100011215594_100000210303 [0,2,0,0,0,0|1,1,0]=4 8287 B12R1.385 CCCSc1ccc(c(c1)F)O 62a_100000185481_100000210303 [0,2,0,0,0,0|1,1,0]=4 8288 B12R1.385 CCCSc1ccc(c(c1)F)O 62a_100000210303_100000185481 [0,2,0,0,0,0|1,1,0]=4 8289 B12R1.385 CCCSc1ccc(c(c1)N)Br 62a_100000210303_100000750456 [0,2,0,0,0,0|1,1,0]=4 8290 B12R1.385 CCCSc1ccc(c(c1)N)Br 62a_100000750456_100000210303 [0,2,0,0,0,0|1,1,0]=4 8291 B12R1.385 CCCSc1ccc(c(c1)N)C 62a_100000210303_100000761890 [0,2,0,0,0,0|1,1,0]=4 8292 B12R1.385 CCCSc1ccc(c(c1)N)C 62a_100000761890_100000210303 [0,2,0,0,0,0|1,1,0]=4 8293 B12R1.385 CCCSc1ccc(c(c1)N)Cl 62a_100000210303_200000761891 [0,2,0,0,0,0|1,1,0]=4 8294 B12R1.385 CCCSc1ccc(c(c1)N)Cl 62a_200000761891_100000210303 [0,2,0,0,0,0|1,1,0]=4 8295 B12R1.385 CCCSc1ccc(c(c1)N)F 62a_100000210303_100000740924 [0,2,0,0,0,0|1,1,0]=4 8296 B12R1.385 CCCSc1ccc(c(c1)N)F 62a_100000740924_100000210303 [0,2,0,0,0,0|1,1,0]=4 8297 B12R1.385 CCCSc1ccc(c(c1)N)N 62a_100000210303_100011534411 [0,2,0,0,0,0|1,1,0]=4 8298 B12R1.385 CCCSc1ccc(c(c1)N)N 62a_100000741789_100000210303 [0,2,0,0,0,0|1,1,0]=4 8299 B12R1.385 CCCSc1ccc(c(c1)N)O 62a_100000210303_100000752626 [0,2,0,0,0,0|1,1,0]=4 8300 B12R1.385 CCCSc1ccc(c(c1)N)O 62a_100000752626_100000210303 [0,2,0,0,0,0|1,1,0]=4 8301 B12R1.385 CCCSc1ccc(c(c1)O)Br 62a_100000210303_100012356990 [0,2,0,0,0,0|1,1,0]=4 8302 B12R1.385 CCCSc1ccc(c(c1)O)Br 62a_100012356990_100000210303 [0,2,0,0,0,0|1,1,0]=4 8303 B12R1.385 CCCSc1ccc(c(c1)O)C 62a_100000210303_100000685420 [0,2,0,0,0,0|1,1,0]=4 8304 B12R1.385 CCCSc1ccc(c(c1)O)C 62a_100000685420_100000210303 [0,2,0,0,0,0|1,1,0]=4 8305 B12R1.385 CCCSc1ccc(c(c1)O)Cl 62a_100000210303_100011356854 [0,2,0,0,0,0|1,1,0]=4 8306 B12R1.385 CCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210303 [0,2,0,0,0,0|1,1,0]=4 8307 B12R1.385 CCCSc1ccc(c(c1)O)F 62a_100000210303_100000686035 [0,2,0,0,0,0|1,1,0]=4 8308 B12R1.385 CCCSc1ccc(c(c1)O)F 62a_100000686035_100000210303 [0,2,0,0,0,0|1,1,0]=4 8309 B12R1.385 CCCSc1ccc(c(c1)O)N 62a_100000210303_100000739049 [0,2,0,0,0,0|1,1,0]=4 8310 B12R1.385 CCCSc1ccc(c(c1)O)N 62a_100000739049_100000210303 [0,2,0,0,0,0|1,1,0]=4 8311 B12R1.385 CCCSc1ccc(c(c1)O)O 62a_100000210303_100009813601 [0,2,0,0,0,0|1,1,0]=4 8312 B12R1.385 COCOc1ccc(c(c1)F)O 271570a_203496583355_100012265695 [0,2,0,0,0,0|2,0,0]=4 8313 B12R1.385 COCOc1ccc(c(c1)O)C 271570a_203496583355_200015918306 [0,2,0,0,0,0|2,0,0]=4 8314 B12R1.385 CSCOc1ccc(c(c1)Br)C 34a_100011380479_100011218213 [0,2,0,0,0,0|2,0,0]=4 8315 B12R1.385 CSCOc1ccc(c(c1)Br)Cl 34a_100011933957_100011218213 [0,2,0,0,0,0|2,0,0]=4 8316 B12R1.385 CSCOc1ccc(c(c1)Br)F 34a_100000693481_100011218213 [0,2,0,0,0,0|2,0,0]=4 8317 B12R1.385 CSCOc1ccc(c(c1)Br)I 34a_100000701344_100011218213 [0,2,0,0,0,0|2,0,0]=4 8318 B12R1.385 CSCOc1ccc(c(c1)Br)N 34a_100012001276_100011218213 [0,2,0,0,0,0|2,0,0]=4 8319 B12R1.385 CSCOc1ccc(c(c1)C)Br 34a_100000690111_100011218213 [0,2,0,0,0,0|2,0,0]=4 8320 B12R1.385 CSCOc1ccc(c(c1)C)C 34a_100000210932_100011218213 [0,2,0,0,0,0|2,0,0]=4 8321 B12R1.385 CSCOc1ccc(c(c1)C)Cl 34a_100000211092_100011218213 [0,2,0,0,0,0|2,0,0]=4 8322 B12R1.385 CSCOc1ccc(c(c1)C)F 34a_100000751312_100011218213 [0,2,0,0,0,0|2,0,0]=4 8323 B12R1.385 CSCOc1ccc(c(c1)C)I 34a_100000729255_100011218213 [0,2,0,0,0,0|2,0,0]=4 8324 B12R1.385 CSCOc1ccc(c(c1)C)N 34a_100000756630_100011218213 [0,2,0,0,0,0|2,0,0]=4 8325 B12R1.385 CSCOc1ccc(c(c1)Cl)Br 34a_100011215161_100011218213 [0,2,0,0,0,0|2,0,0]=4 8326 B12R1.385 CSCOc1ccc(c(c1)Cl)C 34a_100011265682_100011218213 [0,2,0,0,0,0|2,0,0]=4 8327 B12R1.385 CSCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100011218213 [0,2,0,0,0,0|2,0,0]=4 8328 B12R1.385 CSCOc1ccc(c(c1)Cl)F 34a_100000211030_100011218213 [0,2,0,0,0,0|2,0,0]=4 8329 B12R1.385 CSCOc1ccc(c(c1)Cl)I 34a_100000047559_100011218213 [0,2,0,0,0,0|2,0,0]=4 8330 B12R1.385 CSCOc1ccc(c(c1)Cl)N 34a_100011215599_100011218213 [0,2,0,0,0,0|2,0,0]=4 8331 B12R1.385 CSCOc1ccc(c(c1)F)Br 34a_100000755031_100011218213 [0,2,0,0,0,0|2,0,0]=4 8332 B12R1.385 CSCOc1ccc(c(c1)F)C 34a_100000722560_100011218213 [0,2,0,0,0,0|2,0,0]=4 8333 B12R1.385 CSCOc1ccc(c(c1)F)Cl 34a_100000691581_100011218213 [0,2,0,0,0,0|2,0,0]=4 8334 B12R1.385 CSCOc1ccc(c(c1)F)F 34a_100000181275_100011218213 [0,2,0,0,0,0|2,0,0]=4 8335 B12R1.385 CSCOc1ccc(c(c1)F)I 34a_100009990212_100011218213 [0,2,0,0,0,0|2,0,0]=4 8336 B12R1.385 CSCOc1ccc(c(c1)F)N 34a_100000759473_100011218213 [0,2,0,0,0,0|2,0,0]=4 8337 B12R1.385 CSCOc1ccc(c(c1)I)Br 34a_100012339312_100011218213 [0,2,0,0,0,0|2,0,0]=4 8338 B12R1.385 CSCOc1ccc(c(c1)I)Cl 34a_100000049588_100011218213 [0,2,0,0,0,0|2,0,0]=4 8339 B12R1.385 CSCOc1ccc(c(c1)I)N 34a_100010084370_100011218213 [0,2,0,0,0,0|2,0,0]=4 8340 B12R1.385 CSCOc1ccc(c(c1)N)Br 34a_100011999798_100011218213 [0,2,0,0,0,0|2,0,0]=4 8341 B12R1.385 CSCOc1ccc(c(c1)N)C 34a_100011216113_100011218213 [0,2,0,0,0,0|2,0,0]=4 8342 B12R1.385 CSCOc1ccc(c(c1)N)Cl 34a_100011934297_100011218213 [0,2,0,0,0,0|2,0,0]=4 8343 B12R1.385 CSCOc1ccc(c(c1)N)F 34a_100012017239_100011218213 [0,2,0,0,0,0|2,0,0]=4 8344 B12R1.385 CSCOc1ccc(c(c1)N)N 34a_100025771000_100011218213 [0,2,0,0,0,0|2,0,0]=4 8345 B12R1.385 Cc1cc(ccc1Br)NCCF 2230a_100000210723_100011217306 [0,2,0,0,0,0|2,0,0]=4 8346 B12R1.385 Cc1cc(ccc1Br)NCCF 34a_100000210723_100011217306 [0,2,0,0,0,0|2,0,0]=4 8347 B12R1.385 Cc1cc(ccc1Br)NCCF 7a_100000210723_100011217306 [0,2,0,0,0,0|2,0,0]=4 8348 B12R1.385 Cc1cc(ccc1Br)NCCO 2230a_100000210723_100000211926 [0,2,0,0,0,0|1,0,0]=3 8349 B12R1.385 Cc1cc(ccc1Br)NCCO 34a_100000210723_100000211926 [0,2,0,0,0,0|1,0,0]=3 8350 B12R1.385 Cc1cc(ccc1Br)NCCO 7a_100000210723_100000211926 [0,2,0,0,0,0|1,0,0]=3 8351 B12R1.385 Cc1cc(ccc1Br)OCC#N 7a_100000690111_100011215382 [0,2,0,0,0,0|1,0,1]=4 8352 B12R1.385 Cc1cc(ccc1Br)OCC=O 34a_100000690111_200009817547 [0,2,0,0,0,0|0,0,2]=4 8353 B12R1.385 Cc1cc(ccc1Br)OCC=O 7a_100000690111_200015260668 [0,2,0,0,0,0|0,0,2]=4 8354 B12R1.385 Cc1cc(ccc1Br)OCCF 34a_100000690111_100011217306 [0,2,0,0,0,0|1,0,0]=3 8355 B12R1.385 Cc1cc(ccc1Br)OCCF 7a_100000690111_100011217306 [0,2,0,0,0,0|1,0,0]=3 8356 B12R1.385 Cc1cc(ccc1Br)OCCO 34a_100000690111_100000211926 [0,2,0,0,0,0|0,0,0]=2 8357 B12R1.385 Cc1cc(ccc1Br)OCCO 7a_100000690111_100000211926 [0,2,0,0,0,0|0,0,0]=2 8358 B12R1.385 Cc1cc(ccc1Br)SCCF 62a_100009813585_100011217306 [0,2,0,0,0,0|1,1,0]=4 8359 B12R1.385 Cc1cc(ccc1Br)SCCF 62a_100011217306_100009813585 [0,2,0,0,0,0|1,1,0]=4 8360 B12R1.385 Cc1cc(ccc1Br)SCCO 62a_100000211926_100009813585 [0,2,0,0,0,0|0,1,0]=3 8361 B12R1.385 Cc1cc(ccc1Br)SCCO 62a_100009813585_100000211926 [0,2,0,0,0,0|0,1,0]=3 8362 B12R1.385 Cc1cc(ccc1Cl)NCCF 2230a_100000187808_100011217306 [0,2,0,0,0,0|2,0,0]=4 8363 B12R1.385 Cc1cc(ccc1Cl)NCCF 34a_100000187808_100011217306 [0,2,0,0,0,0|2,0,0]=4 8364 B12R1.385 Cc1cc(ccc1Cl)NCCF 7a_100000187808_100011217306 [0,2,0,0,0,0|2,0,0]=4 8365 B12R1.385 Cc1cc(ccc1Cl)NCCO 2230a_100000187808_100000211926 [0,2,0,0,0,0|1,0,0]=3 8366 B12R1.385 Cc1cc(ccc1Cl)NCCO 34a_100000187808_100000211926 [0,2,0,0,0,0|1,0,0]=3 8367 B12R1.385 Cc1cc(ccc1Cl)NCCO 7a_100000187808_100000211926 [0,2,0,0,0,0|1,0,0]=3 8368 B12R1.385 Cc1cc(ccc1Cl)OCC#N 7a_100000211092_100011215382 [0,2,0,0,0,0|1,0,1]=4 8369 B12R1.385 Cc1cc(ccc1Cl)OCC=O 34a_100000211092_200009817547 [0,2,0,0,0,0|0,0,2]=4 8370 B12R1.385 Cc1cc(ccc1Cl)OCC=O 7a_100000211092_200015260668 [0,2,0,0,0,0|0,0,2]=4 8371 B12R1.385 Cc1cc(ccc1Cl)OCCF 34a_100000211092_100011217306 [0,2,0,0,0,0|1,0,0]=3 8372 B12R1.385 Cc1cc(ccc1Cl)OCCF 7a_100000211092_100011217306 [0,2,0,0,0,0|1,0,0]=3 8373 B12R1.385 Cc1cc(ccc1Cl)OCCO 34a_100000211092_100000211926 [0,2,0,0,0,0|0,0,0]=2 8374 B12R1.385 Cc1cc(ccc1Cl)OCCO 7a_100000211092_100000211926 [0,2,0,0,0,0|0,0,0]=2 8375 B12R1.385 Cc1cc(ccc1Cl)SCCF 62a_100000049509_100011217306 [0,2,0,0,0,0|1,1,0]=4 8376 B12R1.385 Cc1cc(ccc1Cl)SCCF 62a_100011217306_100000049509 [0,2,0,0,0,0|1,1,0]=4 8377 B12R1.385 Cc1cc(ccc1Cl)SCCO 62a_100000049509_100000211926 [0,2,0,0,0,0|0,1,0]=3 8378 B12R1.385 Cc1cc(ccc1Cl)SCCO 62a_100000211926_100000049509 [0,2,0,0,0,0|0,1,0]=3 8379 B12R1.385 Cc1cc(ccc1F)NCCF 2230a_100000750164_100011217306 [0,2,0,0,0,0|2,0,0]=4 8380 B12R1.385 Cc1cc(ccc1F)NCCF 34a_100000750164_100011217306 [0,2,0,0,0,0|2,0,0]=4 8381 B12R1.385 Cc1cc(ccc1F)NCCF 7a_100000750164_100011217306 [0,2,0,0,0,0|2,0,0]=4 8382 B12R1.385 Cc1cc(ccc1F)NCCO 2230a_100000750164_100000211926 [0,2,0,0,0,0|1,0,0]=3 8383 B12R1.385 Cc1cc(ccc1F)NCCO 34a_100000750164_100000211926 [0,2,0,0,0,0|1,0,0]=3 8384 B12R1.385 Cc1cc(ccc1F)NCCO 7a_100000750164_100000211926 [0,2,0,0,0,0|1,0,0]=3 8385 B12R1.385 Cc1cc(ccc1F)OCC#N 7a_100000751312_100011215382 [0,2,0,0,0,0|1,0,1]=4 8386 B12R1.385 Cc1cc(ccc1F)OCC=O 34a_100000751312_200009817547 [0,2,0,0,0,0|0,0,2]=4 8387 B12R1.385 Cc1cc(ccc1F)OCC=O 7a_100000751312_200015260668 [0,2,0,0,0,0|0,0,2]=4 8388 B12R1.385 Cc1cc(ccc1F)OCCF 34a_100000751312_100011217306 [0,2,0,0,0,0|1,0,0]=3 8389 B12R1.385 Cc1cc(ccc1F)OCCF 7a_100000751312_100011217306 [0,2,0,0,0,0|1,0,0]=3 8390 B12R1.385 Cc1cc(ccc1F)OCCO 34a_100000751312_100000211926 [0,2,0,0,0,0|0,0,0]=2 8391 B12R1.385 Cc1cc(ccc1F)OCCO 7a_100000751312_100000211926 [0,2,0,0,0,0|0,0,0]=2 8392 B12R1.385 Cc1cc(ccc1F)SCCF 62a_100011217306_100011218330 [0,2,0,0,0,0|1,1,0]=4 8393 B12R1.385 Cc1cc(ccc1F)SCCF 62a_100011218330_100011217306 [0,2,0,0,0,0|1,1,0]=4 8394 B12R1.385 Cc1cc(ccc1F)SCCO 62a_100000211926_100011218330 [0,2,0,0,0,0|0,1,0]=3 8395 B12R1.385 Cc1cc(ccc1F)SCCO 62a_100011218330_100000211926 [0,2,0,0,0,0|0,1,0]=3 8396 B12R1.385 Cc1cc(ccc1I)NCCF 34a_100000198070_100011217306 [0,2,0,0,0,0|2,0,0]=4 8397 B12R1.385 Cc1cc(ccc1I)NCCF 7a_100000198070_100011217306 [0,2,0,0,0,0|2,0,0]=4 8398 B12R1.385 Cc1cc(ccc1I)NCCO 34a_100000198070_100000211926 [0,2,0,0,0,0|1,0,0]=3 8399 B12R1.385 Cc1cc(ccc1I)NCCO 7a_100000198070_100000211926 [0,2,0,0,0,0|1,0,0]=3 8400 B12R1.385 Cc1cc(ccc1I)OCC#N 7a_100000729255_100011215382 [0,2,0,0,0,0|1,0,1]=4 8401 B12R1.385 Cc1cc(ccc1I)OCC=O 34a_100000729255_200009817547 [0,2,0,0,0,0|0,0,2]=4 8402 B12R1.385 Cc1cc(ccc1I)OCC=O 7a_100000729255_200015260668 [0,2,0,0,0,0|0,0,2]=4 8403 B12R1.385 Cc1cc(ccc1I)OCCF 34a_100000729255_100011217306 [0,2,0,0,0,0|1,0,0]=3 8404 B12R1.385 Cc1cc(ccc1I)OCCF 7a_100000729255_100011217306 [0,2,0,0,0,0|1,0,0]=3 8405 B12R1.385 Cc1cc(ccc1I)OCCO 34a_100000729255_100000211926 [0,2,0,0,0,0|0,0,0]=2 8406 B12R1.385 Cc1cc(ccc1I)OCCO 7a_100000729255_100000211926 [0,2,0,0,0,0|0,0,0]=2 8407 B12R1.385 Cc1cc(ccc1N)OCC#N 7a_100000756630_100011215382 [0,2,0,0,0,0|1,0,1]=4 8408 B12R1.385 Cc1cc(ccc1N)OCC=O 34a_100000756630_200009817547 [0,2,0,0,0,0|0,0,2]=4 8409 B12R1.385 Cc1cc(ccc1N)OCC=O 7a_100000756630_200015260668 [0,2,0,0,0,0|0,0,2]=4 8410 B12R1.385 Cc1cc(ccc1N)OCCF 34a_100000756630_100011217306 [0,2,0,0,0,0|1,0,0]=3 8411 B12R1.385 Cc1cc(ccc1N)OCCF 7a_100000756630_100011217306 [0,2,0,0,0,0|1,0,0]=3 8412 B12R1.385 Cc1cc(ccc1N)OCCO 34a_100000756630_100000211926 [0,2,0,0,0,0|0,0,0]=2 8413 B12R1.385 Cc1cc(ccc1N)OCCO 7a_100000756630_100000211926 [0,2,0,0,0,0|0,0,0]=2 8414 B12R1.385 Cc1cc(ccc1N)SCCF 62a_100000211769_100011217306 [0,2,0,0,0,0|1,1,0]=4 8415 B12R1.385 Cc1cc(ccc1N)SCCF 62a_100011217306_100000211769 [0,2,0,0,0,0|1,1,0]=4 8416 B12R1.385 Cc1cc(ccc1N)SCCO 62a_100000211769_100000211926 [0,2,0,0,0,0|0,1,0]=3 8417 B12R1.385 Cc1cc(ccc1N)SCCO 62a_100000211926_100000211769 [0,2,0,0,0,0|0,1,0]=3 8418 B12R1.385 Cc1cc(ccc1O)NCCF 34a_100011218179_100011217306 [0,2,0,0,0,0|2,0,0]=4 8419 B12R1.385 Cc1cc(ccc1O)NCCF 7a_100011218179_100011217306 [0,2,0,0,0,0|2,0,0]=4 8420 B12R1.385 Cc1cc(ccc1O)NCCO 34a_100011218179_100000211926 [0,2,0,0,0,0|1,0,0]=3 8421 B12R1.385 Cc1cc(ccc1O)NCCO 7a_100011218179_100000211926 [0,2,0,0,0,0|1,0,0]=3 8422 B12R1.385 Cc1cc(ccc1O)SCCF 62a_100011217306_100000186361 [0,2,0,0,0,0|1,1,0]=4 8423 B12R1.385 Cc1cc(ccc1O)SCCO 62a_100000211926_100000186361 [0,2,0,0,0,0|0,1,0]=3 8424 B12R1.385 Cc1cc(cnc1Br)OCCF 34a_100012000486_100011217306 [0,2,0,0,0,0|2,0,0]=4 8425 B12R1.385 Cc1cc(cnc1Br)OCCF 7a_100012000486_100011217306 [0,2,0,0,0,0|2,0,0]=4 8426 B12R1.385 Cc1cc(cnc1Br)OCCO 34a_100012000486_100000211926 [0,2,0,0,0,0|1,0,0]=3 8427 B12R1.385 Cc1cc(cnc1Br)OCCO 7a_100012000486_100000211926 [0,2,0,0,0,0|1,0,0]=3 8428 B12R1.385 Cc1cc(cnc1Br)SCCO 62a_100000211926_100009816107 [0,2,0,0,0,0|1,1,0]=4 8429 B12R1.385 Cc1cc(cnc1Br)SCCO 62a_100009816107_100000211926 [0,2,0,0,0,0|1,1,0]=4 8430 B12R1.385 Cc1cc(cnc1C)OCCF 34a_100009854398_100011217306 [0,2,0,0,0,0|2,0,0]=4 8431 B12R1.385 Cc1cc(cnc1C)OCCF 7a_100009854398_100011217306 [0,2,0,0,0,0|2,0,0]=4 8432 B12R1.385 Cc1cc(cnc1C)OCCO 34a_100009854398_100000211926 [0,2,0,0,0,0|1,0,0]=3 8433 B12R1.385 Cc1cc(cnc1C)OCCO 7a_100009854398_100000211926 [0,2,0,0,0,0|1,0,0]=3 8434 B12R1.385 Cc1cc(cnc1C)SCCO 62a_100000211926_100000697892 [0,2,0,0,0,0|1,1,0]=4 8435 B12R1.385 Cc1cc(cnc1C)SCCO 62a_100000697892_100000211926 [0,2,0,0,0,0|1,1,0]=4 8436 B12R1.385 Cc1cc(cnc1Cl)OCCF 34a_100012002680_100011217306 [0,2,0,0,0,0|2,0,0]=4 8437 B12R1.385 Cc1cc(cnc1Cl)OCCF 7a_100012002680_100011217306 [0,2,0,0,0,0|2,0,0]=4 8438 B12R1.385 Cc1cc(cnc1Cl)OCCO 34a_100012002680_100000211926 [0,2,0,0,0,0|1,0,0]=3 8439 B12R1.385 Cc1cc(cnc1Cl)OCCO 7a_100012002680_100000211926 [0,2,0,0,0,0|1,0,0]=3 8440 B12R1.385 Cc1cc(cnc1Cl)SCCO 62a_100000211926_100009922867 [0,2,0,0,0,0|1,1,0]=4 8441 B12R1.385 Cc1cc(cnc1Cl)SCCO 62a_100009922867_100000211926 [0,2,0,0,0,0|1,1,0]=4 8442 B12R1.385 Cc1cc(cnc1F)OCCF 34a_100000094615_100011217306 [0,2,0,0,0,0|2,0,0]=4 8443 B12R1.385 Cc1cc(cnc1F)OCCF 7a_100000094615_100011217306 [0,2,0,0,0,0|2,0,0]=4 8444 B12R1.385 Cc1cc(cnc1F)OCCO 34a_100000094615_100000211926 [0,2,0,0,0,0|1,0,0]=3 8445 B12R1.385 Cc1cc(cnc1F)OCCO 7a_100000094615_100000211926 [0,2,0,0,0,0|1,0,0]=3 8446 B12R1.385 Cc1cc(cnc1F)SCCO 62a_100000211926_100000709442 [0,2,0,0,0,0|1,1,0]=4 8447 B12R1.385 Cc1cc(cnc1F)SCCO 62a_100000709442_100000211926 [0,2,0,0,0,0|1,1,0]=4 8448 B12R1.385 Cc1cc(cnc1N)SCCO 62a_100000211926_100000684428 [0,2,0,0,0,0|1,1,0]=4 8449 B12R1.385 Cc1cc(cnc1N)SCCO 62a_100000684428_100000211926 [0,2,0,0,0,0|1,1,0]=4 8450 B12R1.385 Cc1cc(cnc1O)SCCO 62a_100000211926_100000685391 [0,2,0,0,0,0|1,1,0]=4 8451 B12R1.385 Cc1cc(cnc1O)SCCO 62a_100000685391_100000211926 [0,2,0,0,0,0|1,1,0]=4 8452 B12R1.385 Cc1cc(ncc1Br)OCCF 34a_100000766222_100011217306 [0,2,0,0,0,0|2,0,0]=4 8453 B12R1.385 Cc1cc(ncc1Br)OCCO 34a_100000766222_100000211926 [0,2,0,0,0,0|1,0,0]=3 8454 B12R1.385 Cc1cc(ncc1Br)SCCO 62a_100000211926_100012356354 [0,2,0,0,0,0|1,1,0]=4 8455 B12R1.385 Cc1cc(ncc1Br)SCCO 62a_100012356354_100000211926 [0,2,0,0,0,0|1,1,0]=4 8456 B12R1.385 Cc1cc(ncc1Cl)OCCF 34a_200000085746_100011217306 [0,2,0,0,0,0|2,0,0]=4 8457 B12R1.385 Cc1cc(ncc1Cl)OCCO 34a_200000085746_100000211926 [0,2,0,0,0,0|1,0,0]=3 8458 B12R1.385 Cc1cc(ncc1F)SCCO 62a_100000211926_100009818257 [0,2,0,0,0,0|1,1,0]=4 8459 B12R1.385 Cc1cc(ncc1F)SCCO 62a_100009818257_100000211926 [0,2,0,0,0,0|1,1,0]=4 8460 B12R1.385 Cc1cc(ncc1N)SCCO 62a_100000067204_100000211926 [0,2,0,0,0,0|1,1,0]=4 8461 B12R1.385 Cc1cc(ncc1N)SCCO 62a_100000211926_100000067204 [0,2,0,0,0,0|1,1,0]=4 8462 B12R1.385 Cc1cc(ncc1O)NCCO 271570a_203496583355_100012352624 [0,2,0,0,0,0|2,0,0]=4 8463 B12R1.385 Cc1cc(ncc1O)SCCO 62a_100000211926_100000692680 [0,2,0,0,0,0|1,1,0]=4 8464 B12R1.385 Cc1ccc(c[n+]1[O-])SCCO 62a_100000211926_100000703231 [0,2,0,0,0,0|1,1,0]=4 8465 B12R1.385 Cc1ccc(cc1Br)NCCF 2230a_100000736455_100011217306 [0,2,0,0,0,0|2,0,0]=4 8466 B12R1.385 Cc1ccc(cc1Br)NCCF 34a_100000736455_100011217306 [0,2,0,0,0,0|2,0,0]=4 8467 B12R1.385 Cc1ccc(cc1Br)NCCF 7a_100000736455_100011217306 [0,2,0,0,0,0|2,0,0]=4 8468 B12R1.385 Cc1ccc(cc1Br)NCCO 2230a_100000736455_100000211926 [0,2,0,0,0,0|1,0,0]=3 8469 B12R1.385 Cc1ccc(cc1Br)NCCO 34a_100000736455_100000211926 [0,2,0,0,0,0|1,0,0]=3 8470 B12R1.385 Cc1ccc(cc1Br)NCCO 7a_100000736455_100000211926 [0,2,0,0,0,0|1,0,0]=3 8471 B12R1.385 Cc1ccc(cc1Br)OCC#N 7a_100011380479_100011215382 [0,2,0,0,0,0|1,0,1]=4 8472 B12R1.385 Cc1ccc(cc1Br)OCC=O 34a_100011380479_200009817547 [0,2,0,0,0,0|0,0,2]=4 8473 B12R1.385 Cc1ccc(cc1Br)OCC=O 7a_100011380479_200015260668 [0,2,0,0,0,0|0,0,2]=4 8474 B12R1.385 Cc1ccc(cc1Br)OCCF 34a_100011380479_100011217306 [0,2,0,0,0,0|1,0,0]=3 8475 B12R1.385 Cc1ccc(cc1Br)OCCF 7a_100011380479_100011217306 [0,2,0,0,0,0|1,0,0]=3 8476 B12R1.385 Cc1ccc(cc1Br)OCCO 34a_100011380479_100000211926 [0,2,0,0,0,0|0,0,0]=2 8477 B12R1.385 Cc1ccc(cc1Br)OCCO 7a_100011380479_100000211926 [0,2,0,0,0,0|0,0,0]=2 8478 B12R1.385 Cc1ccc(cc1Br)SCCF 62a_100011217306_100011847877 [0,2,0,0,0,0|1,1,0]=4 8479 B12R1.385 Cc1ccc(cc1Br)SCCF 62a_100011847877_100011217306 [0,2,0,0,0,0|1,1,0]=4 8480 B12R1.385 Cc1ccc(cc1Br)SCCO 62a_100000211926_100011847877 [0,2,0,0,0,0|0,1,0]=3 8481 B12R1.385 Cc1ccc(cc1Br)SCCO 62a_100011847877_100000211926 [0,2,0,0,0,0|0,1,0]=3 8482 B12R1.385 Cc1ccc(cc1C)NCCF 2230a_100000724040_100011217306 [0,2,0,0,0,0|2,0,0]=4 8483 B12R1.385 Cc1ccc(cc1C)NCCF 34a_100000724040_100011217306 [0,2,0,0,0,0|2,0,0]=4 8484 B12R1.385 Cc1ccc(cc1C)NCCF 7a_100000724040_100011217306 [0,2,0,0,0,0|2,0,0]=4 8485 B12R1.385 Cc1ccc(cc1C)NCCO 2230a_100000724040_100000211926 [0,2,0,0,0,0|1,0,0]=3 8486 B12R1.385 Cc1ccc(cc1C)NCCO 34a_100000724040_100000211926 [0,2,0,0,0,0|1,0,0]=3 8487 B12R1.385 Cc1ccc(cc1C)NCCO 7a_100000724040_100000211926 [0,2,0,0,0,0|1,0,0]=3 8488 B12R1.385 Cc1ccc(cc1C)OCC#N 7a_100000210932_100011215382 [0,2,0,0,0,0|1,0,1]=4 8489 B12R1.385 Cc1ccc(cc1C)OCC=O 34a_100000210932_200009817547 [0,2,0,0,0,0|0,0,2]=4 8490 B12R1.385 Cc1ccc(cc1C)OCC=O 7a_100000210932_200015260668 [0,2,0,0,0,0|0,0,2]=4 8491 B12R1.385 Cc1ccc(cc1C)OCCF 34a_100000210932_100011217306 [0,2,0,0,0,0|1,0,0]=3 8492 B12R1.385 Cc1ccc(cc1C)OCCF 7a_100000210932_100011217306 [0,2,0,0,0,0|1,0,0]=3 8493 B12R1.385 Cc1ccc(cc1C)OCCO 34a_100000210932_100000211926 [0,2,0,0,0,0|0,0,0]=2 8494 B12R1.385 Cc1ccc(cc1C)OCCO 7a_100000210932_100000211926 [0,2,0,0,0,0|0,0,0]=2 8495 B12R1.385 Cc1ccc(cc1C)SCCF 62a_100011215607_100011217306 [0,2,0,0,0,0|1,1,0]=4 8496 B12R1.385 Cc1ccc(cc1C)SCCF 62a_100011217306_100011215607 [0,2,0,0,0,0|1,1,0]=4 8497 B12R1.385 Cc1ccc(cc1C)SCCO 62a_100000211926_100011215607 [0,2,0,0,0,0|0,1,0]=3 8498 B12R1.385 Cc1ccc(cc1C)SCCO 62a_100011215607_100000211926 [0,2,0,0,0,0|0,1,0]=3 8499 B12R1.385 Cc1ccc(cc1Cl)NCCF 2230a_100000188892_100011217306 [0,2,0,0,0,0|2,0,0]=4 8500 B12R1.385 Cc1ccc(cc1Cl)NCCF 34a_100000188892_100011217306 [0,2,0,0,0,0|2,0,0]=4 8501 B12R1.385 Cc1ccc(cc1Cl)NCCF 7a_100000188892_100011217306 [0,2,0,0,0,0|2,0,0]=4 8502 B12R1.385 Cc1ccc(cc1Cl)NCCO 2230a_100000188892_100000211926 [0,2,0,0,0,0|1,0,0]=3 8503 B12R1.385 Cc1ccc(cc1Cl)NCCO 34a_100000188892_100000211926 [0,2,0,0,0,0|1,0,0]=3 8504 B12R1.385 Cc1ccc(cc1Cl)NCCO 7a_100000188892_100000211926 [0,2,0,0,0,0|1,0,0]=3 8505 B12R1.385 Cc1ccc(cc1Cl)OCC#N 7a_100011265682_100011215382 [0,2,0,0,0,0|1,0,1]=4 8506 B12R1.385 Cc1ccc(cc1Cl)OCC=O 34a_100011265682_200009817547 [0,2,0,0,0,0|0,0,2]=4 8507 B12R1.385 Cc1ccc(cc1Cl)OCC=O 7a_100011265682_200015260668 [0,2,0,0,0,0|0,0,2]=4 8508 B12R1.385 Cc1ccc(cc1Cl)OCCF 34a_100011265682_100011217306 [0,2,0,0,0,0|1,0,0]=3 8509 B12R1.385 Cc1ccc(cc1Cl)OCCF 7a_100011265682_100011217306 [0,2,0,0,0,0|1,0,0]=3 8510 B12R1.385 Cc1ccc(cc1Cl)OCCO 34a_100011265682_100000211926 [0,2,0,0,0,0|0,0,0]=2 8511 B12R1.385 Cc1ccc(cc1Cl)OCCO 7a_100011265682_100000211926 [0,2,0,0,0,0|0,0,0]=2 8512 B12R1.385 Cc1ccc(cc1Cl)SCCF 62a_100011216363_100011217306 [0,2,0,0,0,0|1,1,0]=4 8513 B12R1.385 Cc1ccc(cc1Cl)SCCF 62a_100011217306_100011216363 [0,2,0,0,0,0|1,1,0]=4 8514 B12R1.385 Cc1ccc(cc1Cl)SCCO 62a_100000211926_100011216363 [0,2,0,0,0,0|0,1,0]=3 8515 B12R1.385 Cc1ccc(cc1Cl)SCCO 62a_100011216363_100000211926 [0,2,0,0,0,0|0,1,0]=3 8516 B12R1.385 Cc1ccc(cc1F)NCCF 2230a_100000210958_100011217306 [0,2,0,0,0,0|2,0,0]=4 8517 B12R1.385 Cc1ccc(cc1F)NCCF 34a_100000210958_100011217306 [0,2,0,0,0,0|2,0,0]=4 8518 B12R1.385 Cc1ccc(cc1F)NCCF 7a_100000210958_100011217306 [0,2,0,0,0,0|2,0,0]=4 8519 B12R1.385 Cc1ccc(cc1F)NCCO 2230a_100000210958_100000211926 [0,2,0,0,0,0|1,0,0]=3 8520 B12R1.385 Cc1ccc(cc1F)NCCO 34a_100000210958_100000211926 [0,2,0,0,0,0|1,0,0]=3 8521 B12R1.385 Cc1ccc(cc1F)NCCO 7a_100000210958_100000211926 [0,2,0,0,0,0|1,0,0]=3 8522 B12R1.385 Cc1ccc(cc1F)OCC#N 7a_100000722560_100011215382 [0,2,0,0,0,0|1,0,1]=4 8523 B12R1.385 Cc1ccc(cc1F)OCC=O 34a_100000722560_200009817547 [0,2,0,0,0,0|0,0,2]=4 8524 B12R1.385 Cc1ccc(cc1F)OCC=O 7a_100000722560_200015260668 [0,2,0,0,0,0|0,0,2]=4 8525 B12R1.385 Cc1ccc(cc1F)OCCF 34a_100000722560_100011217306 [0,2,0,0,0,0|1,0,0]=3 8526 B12R1.385 Cc1ccc(cc1F)OCCF 7a_100000722560_100011217306 [0,2,0,0,0,0|1,0,0]=3 8527 B12R1.385 Cc1ccc(cc1F)OCCO 34a_100000722560_100000211926 [0,2,0,0,0,0|0,0,0]=2 8528 B12R1.385 Cc1ccc(cc1F)OCCO 7a_100000722560_100000211926 [0,2,0,0,0,0|0,0,0]=2 8529 B12R1.385 Cc1ccc(cc1F)SCCF 62a_100000720648_100011217306 [0,2,0,0,0,0|1,1,0]=4 8530 B12R1.385 Cc1ccc(cc1F)SCCF 62a_100011217306_100000720648 [0,2,0,0,0,0|1,1,0]=4 8531 B12R1.385 Cc1ccc(cc1F)SCCO 62a_100000211926_100000720648 [0,2,0,0,0,0|0,1,0]=3 8532 B12R1.385 Cc1ccc(cc1F)SCCO 62a_100000720648_100000211926 [0,2,0,0,0,0|0,1,0]=3 8533 B12R1.385 Cc1ccc(cc1I)NCCF 34a_100000184131_100011217306 [0,2,0,0,0,0|2,0,0]=4 8534 B12R1.385 Cc1ccc(cc1I)NCCF 7a_100000184131_100011217306 [0,2,0,0,0,0|2,0,0]=4 8535 B12R1.385 Cc1ccc(cc1I)NCCO 34a_100000184131_100000211926 [0,2,0,0,0,0|1,0,0]=3 8536 B12R1.385 Cc1ccc(cc1I)NCCO 7a_100000184131_100000211926 [0,2,0,0,0,0|1,0,0]=3 8537 B12R1.385 Cc1ccc(cc1N)OCC#N 7a_100011216113_100011215382 [0,2,0,0,0,0|1,0,1]=4 8538 B12R1.385 Cc1ccc(cc1N)OCC=O 34a_100011216113_200009817547 [0,2,0,0,0,0|0,0,2]=4 8539 B12R1.385 Cc1ccc(cc1N)OCC=O 7a_100011216113_200015260668 [0,2,0,0,0,0|0,0,2]=4 8540 B12R1.385 Cc1ccc(cc1N)OCCF 34a_100011216113_100011217306 [0,2,0,0,0,0|1,0,0]=3 8541 B12R1.385 Cc1ccc(cc1N)OCCF 7a_100011216113_100011217306 [0,2,0,0,0,0|1,0,0]=3 8542 B12R1.385 Cc1ccc(cc1N)OCCO 34a_100011216113_100000211926 [0,2,0,0,0,0|0,0,0]=2 8543 B12R1.385 Cc1ccc(cc1N)OCCO 7a_100011216113_100000211926 [0,2,0,0,0,0|0,0,0]=2 8544 B12R1.385 Cc1ccc(cc1N)SCCF 62a_100000761890_100011217306 [0,2,0,0,0,0|1,1,0]=4 8545 B12R1.385 Cc1ccc(cc1N)SCCF 62a_100011217306_100000761890 [0,2,0,0,0,0|1,1,0]=4 8546 B12R1.385 Cc1ccc(cc1N)SCCO 62a_100000211926_100000761890 [0,2,0,0,0,0|0,1,0]=3 8547 B12R1.385 Cc1ccc(cc1N)SCCO 62a_100000761890_100000211926 [0,2,0,0,0,0|0,1,0]=3 8548 B12R1.385 Cc1ccc(cc1O)NCCF 34a_100000759471_100011217306 [0,2,0,0,0,0|2,0,0]=4 8549 B12R1.385 Cc1ccc(cc1O)NCCF 7a_100000759471_100011217306 [0,2,0,0,0,0|2,0,0]=4 8550 B12R1.385 Cc1ccc(cc1O)NCCO 34a_100000759471_100000211926 [0,2,0,0,0,0|1,0,0]=3 8551 B12R1.385 Cc1ccc(cc1O)NCCO 7a_100000759471_100000211926 [0,2,0,0,0,0|1,0,0]=3 8552 B12R1.385 Cc1ccc(cc1O)SCCF 62a_100000685420_100011217306 [0,2,0,0,0,0|1,1,0]=4 8553 B12R1.385 Cc1ccc(cc1O)SCCF 62a_100011217306_100000685420 [0,2,0,0,0,0|1,1,0]=4 8554 B12R1.385 Cc1ccc(cc1O)SCCO 271570a_203496583355_100010989109 [0,2,0,0,0,0|0,1,0]=3 8555 B12R1.385 Cc1ccc(cc1O)SCCO 62a_100000211926_100000685420 [0,2,0,0,0,0|0,1,0]=3 8556 B12R1.385 Cc1ccc(cc1O)SCCO 62a_100000685420_100000211926 [0,2,0,0,0,0|0,1,0]=3 8557 B12R1.385 Cc1ccc(nc1C)SCCO 62a_100000103781_100000211926 [0,2,0,0,0,0|1,1,0]=4 8558 B12R1.385 Cc1ccc(nc1C)SCCO 62a_100000211926_100000103781 [0,2,0,0,0,0|1,1,0]=4 8559 B12R1.385 Cc1ccc(nc1N)SCCO 62a_100000211926_100009857032 [0,2,0,0,0,0|1,1,0]=4 8560 B12R1.385 Cc1ccc(nc1N)SCCO 62a_100009857032_100000211926 [0,2,0,0,0,0|1,1,0]=4 8561 B12R1.385 Cc1cnc(cc1Br)OCCF 34a_100009831917_100011217306 [0,2,0,0,0,0|2,0,0]=4 8562 B12R1.385 Cc1cnc(cc1Br)OCCO 34a_100009831917_100000211926 [0,2,0,0,0,0|1,0,0]=3 8563 B12R1.385 Cc1cnc(cc1C)SCCO 62a_100000211926_100009850809 [0,2,0,0,0,0|1,1,0]=4 8564 B12R1.385 Cc1cnc(cc1C)SCCO 62a_100009850809_100000211926 [0,2,0,0,0,0|1,1,0]=4 8565 B12R1.385 Cc1cnc(cc1F)NCCO 27a_100000210304_100009841206 [0,2,0,0,0,0|2,0,0]=4 8566 B12R1.385 Cc1cnc(cc1F)SCCO 62a_100000211926_100009841206 [0,2,0,0,0,0|1,1,0]=4 8567 B12R1.385 Cc1cnc(cc1F)SCCO 62a_100009841206_100000211926 [0,2,0,0,0,0|1,1,0]=4 8568 B12R1.385 Cc1cnc(cc1N)SCCO 62a_100000126663_100000211926 [0,2,0,0,0,0|1,1,0]=4 8569 B12R1.385 Cc1cnc(cc1N)SCCO 62a_100000211926_100000126663 [0,2,0,0,0,0|1,1,0]=4 8570 B12R1.385 Cc1cnc(cc1O)SCCO 62a_100000211926_100000704368 [0,2,0,0,0,0|1,1,0]=4 8571 B12R1.385 Cc1cnc(cc1O)SCCO 62a_100000704368_100000211926 [0,2,0,0,0,0|1,1,0]=4 8572 B12R1.385 Cc1nc(ccc1Br)OCCF 34a_100000691680_100011217306 [0,2,0,0,0,0|2,0,0]=4 8573 B12R1.385 Cc1nc(ccc1Br)OCCO 34a_100000691680_100000211926 [0,2,0,0,0,0|1,0,0]=3 8574 B12R1.385 Cc1nc(ccc1Br)SCCO 62a_100000211926_100012360386 [0,2,0,0,0,0|1,1,0]=4 8575 B12R1.385 Cc1nc(ccc1Br)SCCO 62a_100012360386_100000211926 [0,2,0,0,0,0|1,1,0]=4 8576 B12R1.385 Cc1nc(ccc1Cl)OCCF 34a_200009863735_100011217306 [0,2,0,0,0,0|2,0,0]=4 8577 B12R1.385 Cc1nc(ccc1Cl)OCCO 34a_200009863735_100000211926 [0,2,0,0,0,0|1,0,0]=3 8578 B12R1.385 Cc1nc(ccc1F)SCCO 62a_100000211926_100009814307 [0,2,0,0,0,0|1,1,0]=4 8579 B12R1.385 Cc1nc(ccc1F)SCCO 62a_100009814307_100000211926 [0,2,0,0,0,0|1,1,0]=4 8580 B12R1.385 Cc1nc(ccc1N)SCCO 62a_100000211926_100000720120 [0,2,0,0,0,0|1,1,0]=4 8581 B12R1.385 Cc1nc(ccc1N)SCCO 62a_100000720120_100000211926 [0,2,0,0,0,0|1,1,0]=4 8582 B12R1.385 Cc1nc(ccc1O)SCCO 62a_100000211926_100010233687 [0,2,0,0,0,0|1,1,0]=4 8583 B12R1.385 Cc1nc(ccc1O)SCCO 62a_100010233687_100000211926 [0,2,0,0,0,0|1,1,0]=4 8584 B12R1.385 Cc1ncc(cc1Br)OCCF 34a_100009819603_100011217306 [0,2,0,0,0,0|2,0,0]=4 8585 B12R1.385 Cc1ncc(cc1Br)OCCF 7a_100009819603_100011217306 [0,2,0,0,0,0|2,0,0]=4 8586 B12R1.385 Cc1ncc(cc1Br)OCCO 34a_100009819603_100000211926 [0,2,0,0,0,0|1,0,0]=3 8587 B12R1.385 Cc1ncc(cc1Br)OCCO 7a_100009819603_100000211926 [0,2,0,0,0,0|1,0,0]=3 8588 B12R1.385 Cc1ncc(cc1F)SCCO 62a_100000211926_100009845756 [0,2,0,0,0,0|1,1,0]=4 8589 B12R1.385 Cc1ncc(cc1F)SCCO 62a_100009845756_100000211926 [0,2,0,0,0,0|1,1,0]=4 8590 B12R1.385 Cc1ncc(cc1N)SCCO 62a_100000211926_100011999542 [0,2,0,0,0,0|1,1,0]=4 8591 B12R1.385 Cc1ncc(cc1N)SCCO 62a_100011999542_100000211926 [0,2,0,0,0,0|1,1,0]=4 8592 B12R1.385 Cc1ncc(cc1O)SCCO 62a_100000211926_100009864810 [0,2,0,0,0,0|1,1,0]=4 8593 B12R1.385 Cc1ncc(cc1O)SCCO 62a_100009864810_100000211926 [0,2,0,0,0,0|1,1,0]=4 8594 B12R1.385 Cc1ncc(nc1C)OCCO 34a_200000700380_100000211926 [0,2,0,0,0,0|2,0,0]=4 8595 B12R1.385 Cn1cc(ccc1=O)SCCO 62a_100000211926_100011245003 [0,2,0,0,0,0|1,1,0]=4 8596 B12R1.385 Cn1cc(ccc1=O)SCCO 62a_100011245003_100000211926 [0,2,0,0,0,0|1,1,0]=4 8597 B12R1.385 Cn1ccc(cc1=O)NCCO 27a_100000210304_100009820031 [0,2,0,0,0,0|2,0,0]=4 8598 B12R1.385 Cn1ccc(cc1=O)SCCO 62a_100000211926_100009820031 [0,2,0,0,0,0|1,1,0]=4 8599 B12R1.385 Cn1ccc(cc1=O)SCCO 62a_100009820031_100000211926 [0,2,0,0,0,0|1,1,0]=4 8600 B12R1.385 FCCNc1ccc(c(c1)Br)Br 2230a_100011306057_100011217306 [0,2,0,0,0,0|2,0,0]=4 8601 B12R1.385 FCCNc1ccc(c(c1)Br)Br 34a_100011306057_100011217306 [0,2,0,0,0,0|2,0,0]=4 8602 B12R1.385 FCCNc1ccc(c(c1)Br)Br 7a_100011306057_100011217306 [0,2,0,0,0,0|2,0,0]=4 8603 B12R1.385 FCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100011217306 [0,2,0,0,0,0|2,0,0]=4 8604 B12R1.385 FCCNc1ccc(c(c1)Br)Cl 34a_100000686031_100011217306 [0,2,0,0,0,0|2,0,0]=4 8605 B12R1.385 FCCNc1ccc(c(c1)Br)F 2230a_100000760356_100011217306 [0,2,0,0,0,0|2,0,0]=4 8606 B12R1.385 FCCNc1ccc(c(c1)Br)F 34a_100000760356_100011217306 [0,2,0,0,0,0|2,0,0]=4 8607 B12R1.385 FCCNc1ccc(c(c1)Br)F 7a_100000760356_100011217306 [0,2,0,0,0,0|2,0,0]=4 8608 B12R1.385 FCCNc1ccc(c(c1)Br)I 34a_100000750458_100011217306 [0,2,0,0,0,0|2,0,0]=4 8609 B12R1.385 FCCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100011217306 [0,2,0,0,0,0|2,0,0]=4 8610 B12R1.385 FCCNc1ccc(c(c1)Cl)Br 34a_100000687081_100011217306 [0,2,0,0,0,0|2,0,0]=4 8611 B12R1.385 FCCNc1ccc(c(c1)Cl)Br 7a_100000687081_100011217306 [0,2,0,0,0,0|2,0,0]=4 8612 B12R1.385 FCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100011217306 [0,2,0,0,0,0|2,0,0]=4 8613 B12R1.385 FCCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100011217306 [0,2,0,0,0,0|2,0,0]=4 8614 B12R1.385 FCCNc1ccc(c(c1)Cl)F 2230a_100000211060_100011217306 [0,2,0,0,0,0|2,0,0]=4 8615 B12R1.385 FCCNc1ccc(c(c1)Cl)F 34a_100000211060_100011217306 [0,2,0,0,0,0|2,0,0]=4 8616 B12R1.385 FCCNc1ccc(c(c1)Cl)F 7a_100000211060_100011217306 [0,2,0,0,0,0|2,0,0]=4 8617 B12R1.385 FCCNc1ccc(c(c1)Cl)I 34a_100000761885_100011217306 [0,2,0,0,0,0|2,0,0]=4 8618 B12R1.385 FCCNc1ccc(c(c1)F)Br 2230a_100000759894_100011217306 [0,2,0,0,0,0|2,0,0]=4 8619 B12R1.385 FCCNc1ccc(c(c1)F)Br 34a_100000759894_100011217306 [0,2,0,0,0,0|2,0,0]=4 8620 B12R1.385 FCCNc1ccc(c(c1)F)Br 7a_100000759894_100011217306 [0,2,0,0,0,0|2,0,0]=4 8621 B12R1.385 FCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100011217306 [0,2,0,0,0,0|2,0,0]=4 8622 B12R1.385 FCCNc1ccc(c(c1)F)Cl 34a_100000739366_100011217306 [0,2,0,0,0,0|2,0,0]=4 8623 B12R1.385 FCCNc1ccc(c(c1)F)Cl 7a_100000739366_100011217306 [0,2,0,0,0,0|2,0,0]=4 8624 B12R1.385 FCCNc1ccc(c(c1)F)F 2230a_100000210724_100011217306 [0,2,0,0,0,0|2,0,0]=4 8625 B12R1.385 FCCNc1ccc(c(c1)F)F 34a_100000210724_100011217306 [0,2,0,0,0,0|2,0,0]=4 8626 B12R1.385 FCCNc1ccc(c(c1)F)F 7a_100000210724_100011217306 [0,2,0,0,0,0|2,0,0]=4 8627 B12R1.385 FCCNc1ccc(c(c1)F)I 34a_100011356925_100011217306 [0,2,0,0,0,0|2,0,0]=4 8628 B12R1.385 FCCNc1ccc(c(c1)F)I 7a_100011356925_100011217306 [0,2,0,0,0,0|2,0,0]=4 8629 B12R1.385 FCCNc1ccc(c(c1)I)Br 34a_100000750459_100011217306 [0,2,0,0,0,0|2,0,0]=4 8630 B12R1.385 FCCNc1ccc(c(c1)I)Cl 34a_100012360549_100011217306 [0,2,0,0,0,0|2,0,0]=4 8631 B12R1.385 FCCNc1ccc(c(c1)I)F 34a_114828291077_100011217306 [0,2,0,0,0,0|2,0,0]=4 8632 B12R1.385 FCCNc1ccc(c(c1)I)F 7a_114828291077_100011217306 [0,2,0,0,0,0|2,0,0]=4 8633 B12R1.385 FCCOc1cc(c(cn1)Br)Cl 34a_100010369989_100011217306 [0,2,0,0,0,0|2,0,0]=4 8634 B12R1.385 FCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100011217306 [0,2,0,0,0,0|2,0,0]=4 8635 B12R1.385 FCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100011217306 [0,2,0,0,0,0|1,0,0]=3 8636 B12R1.385 FCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100011217306 [0,2,0,0,0,0|1,0,0]=3 8637 B12R1.385 FCCOc1ccc(c(c1)Br)F 34a_100000693481_100011217306 [0,2,0,0,0,0|1,0,0]=3 8638 B12R1.385 FCCOc1ccc(c(c1)Br)F 7a_100000693481_100011217306 [0,2,0,0,0,0|1,0,0]=3 8639 B12R1.385 FCCOc1ccc(c(c1)Br)I 34a_100000701344_100011217306 [0,2,0,0,0,0|1,0,0]=3 8640 B12R1.385 FCCOc1ccc(c(c1)Br)I 7a_100000701344_100011217306 [0,2,0,0,0,0|1,0,0]=3 8641 B12R1.385 FCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100011217306 [0,2,0,0,0,0|1,0,0]=3 8642 B12R1.385 FCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100011217306 [0,2,0,0,0,0|1,0,0]=3 8643 B12R1.385 FCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100011217306 [0,2,0,0,0,0|1,0,0]=3 8644 B12R1.385 FCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100011217306 [0,2,0,0,0,0|1,0,0]=3 8645 B12R1.385 FCCOc1ccc(c(c1)Cl)F 34a_100000211030_100011217306 [0,2,0,0,0,0|1,0,0]=3 8646 B12R1.385 FCCOc1ccc(c(c1)Cl)F 7a_100000211030_100011217306 [0,2,0,0,0,0|1,0,0]=3 8647 B12R1.385 FCCOc1ccc(c(c1)Cl)I 34a_100000047559_100011217306 [0,2,0,0,0,0|1,0,0]=3 8648 B12R1.385 FCCOc1ccc(c(c1)Cl)I 7a_100000047559_100011217306 [0,2,0,0,0,0|1,0,0]=3 8649 B12R1.385 FCCOc1ccc(c(c1)F)Br 34a_100000755031_100011217306 [0,2,0,0,0,0|1,0,0]=3 8650 B12R1.385 FCCOc1ccc(c(c1)F)Br 7a_100000755031_100011217306 [0,2,0,0,0,0|1,0,0]=3 8651 B12R1.385 FCCOc1ccc(c(c1)F)Cl 34a_100000691581_100011217306 [0,2,0,0,0,0|1,0,0]=3 8652 B12R1.385 FCCOc1ccc(c(c1)F)Cl 7a_100000691581_100011217306 [0,2,0,0,0,0|1,0,0]=3 8653 B12R1.385 FCCOc1ccc(c(c1)F)F 34a_100000181275_100011217306 [0,2,0,0,0,0|1,0,0]=3 8654 B12R1.385 FCCOc1ccc(c(c1)F)F 7a_100000181275_100011217306 [0,2,0,0,0,0|1,0,0]=3 8655 B12R1.385 FCCOc1ccc(c(c1)F)I 34a_100009990212_100011217306 [0,2,0,0,0,0|1,0,0]=3 8656 B12R1.385 FCCOc1ccc(c(c1)F)I 7a_100009990212_100011217306 [0,2,0,0,0,0|1,0,0]=3 8657 B12R1.385 FCCOc1ccc(c(c1)I)Br 34a_100012339312_100011217306 [0,2,0,0,0,0|1,0,0]=3 8658 B12R1.385 FCCOc1ccc(c(c1)I)Br 7a_100012339312_100011217306 [0,2,0,0,0,0|1,0,0]=3 8659 B12R1.385 FCCOc1ccc(c(c1)I)Cl 34a_100000049588_100011217306 [0,2,0,0,0,0|1,0,0]=3 8660 B12R1.385 FCCOc1ccc(c(c1)I)Cl 7a_100000049588_100011217306 [0,2,0,0,0,0|1,0,0]=3 8661 B12R1.385 FCCOc1ccc(c(n1)F)Br 34a_100009879308_100011217306 [0,2,0,0,0,0|2,0,0]=4 8662 B12R1.385 FCCOc1cnc(c(c1)Br)Cl 34a_100012356455_100011217306 [0,2,0,0,0,0|2,0,0]=4 8663 B12R1.385 FCCOc1cnc(c(c1)Br)Cl 7a_100012356455_100011217306 [0,2,0,0,0,0|2,0,0]=4 8664 B12R1.385 FCCOc1cnc(c(c1)Br)F 34a_100009817267_100011217306 [0,2,0,0,0,0|2,0,0]=4 8665 B12R1.385 FCCOc1cnc(c(c1)Br)F 7a_100009817267_100011217306 [0,2,0,0,0,0|2,0,0]=4 8666 B12R1.385 FCCOc1cnc(c(c1)Cl)Br 34a_100010209684_100011217306 [0,2,0,0,0,0|2,0,0]=4 8667 B12R1.385 FCCOc1cnc(c(c1)Cl)Br 7a_100010209684_100011217306 [0,2,0,0,0,0|2,0,0]=4 8668 B12R1.385 FCCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100011217306 [0,2,0,0,0,0|2,0,0]=4 8669 B12R1.385 FCCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100011217306 [0,2,0,0,0,0|2,0,0]=4 8670 B12R1.385 FCCOc1cnc(c(c1)Cl)F 34a_100000087088_100011217306 [0,2,0,0,0,0|2,0,0]=4 8671 B12R1.385 FCCOc1cnc(c(c1)Cl)F 7a_100000087088_100011217306 [0,2,0,0,0,0|2,0,0]=4 8672 B12R1.385 FCCOc1cnc(c(c1)F)Cl 34a_100000063512_100011217306 [0,2,0,0,0,0|2,0,0]=4 8673 B12R1.385 FCCOc1cnc(c(c1)F)Cl 7a_100000063512_100011217306 [0,2,0,0,0,0|2,0,0]=4 8674 B12R1.385 FCCSc1ccc(c(c1)Br)Br 62a_100011217306_100012356285 [0,2,0,0,0,0|1,1,0]=4 8675 B12R1.385 FCCSc1ccc(c(c1)Br)Br 62a_100012356285_100011217306 [0,2,0,0,0,0|1,1,0]=4 8676 B12R1.385 FCCSc1ccc(c(c1)Br)Cl 62a_100011217306_100012353702 [0,2,0,0,0,0|1,1,0]=4 8677 B12R1.385 FCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100011217306 [0,2,0,0,0,0|1,1,0]=4 8678 B12R1.385 FCCSc1ccc(c(c1)Br)F 62a_100011217306_100012047266 [0,2,0,0,0,0|1,1,0]=4 8679 B12R1.385 FCCSc1ccc(c(c1)Br)F 62a_100012047266_100011217306 [0,2,0,0,0,0|1,1,0]=4 8680 B12R1.385 FCCSc1ccc(c(c1)Cl)Br 62a_100011217306_100012047281 [0,2,0,0,0,0|1,1,0]=4 8681 B12R1.385 FCCSc1ccc(c(c1)Cl)Br 62a_100012047281_100011217306 [0,2,0,0,0,0|1,1,0]=4 8682 B12R1.385 FCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100011217306 [0,2,0,0,0,0|1,1,0]=4 8683 B12R1.385 FCCSc1ccc(c(c1)Cl)Cl 62a_100011217306_100011214914 [0,2,0,0,0,0|1,1,0]=4 8684 B12R1.385 FCCSc1ccc(c(c1)Cl)F 62a_100011215976_100011217306 [0,2,0,0,0,0|1,1,0]=4 8685 B12R1.385 FCCSc1ccc(c(c1)Cl)F 62a_100011217306_100011215976 [0,2,0,0,0,0|1,1,0]=4 8686 B12R1.385 FCCSc1ccc(c(c1)F)Br 62a_100000685389_100011217306 [0,2,0,0,0,0|1,1,0]=4 8687 B12R1.385 FCCSc1ccc(c(c1)F)Br 62a_100011217306_100000685389 [0,2,0,0,0,0|1,1,0]=4 8688 B12R1.385 FCCSc1ccc(c(c1)F)Cl 62a_100011216805_100011217306 [0,2,0,0,0,0|1,1,0]=4 8689 B12R1.385 FCCSc1ccc(c(c1)F)Cl 62a_100011217306_100011216805 [0,2,0,0,0,0|1,1,0]=4 8690 B12R1.385 FCCSc1ccc(c(c1)F)F 62a_100000703953_100011217306 [0,2,0,0,0,0|1,1,0]=4 8691 B12R1.385 FCCSc1ccc(c(c1)F)F 62a_100011217306_100000703953 [0,2,0,0,0,0|1,1,0]=4 8692 B12R1.385 N#CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100011215382 [0,2,0,0,0,0|1,0,1]=4 8693 B12R1.385 N#CCOc1ccc(c(c1)Br)F 7a_100000693481_100011215382 [0,2,0,0,0,0|1,0,1]=4 8694 B12R1.385 N#CCOc1ccc(c(c1)Br)I 7a_100000701344_100011215382 [0,2,0,0,0,0|1,0,1]=4 8695 B12R1.385 N#CCOc1ccc(c(c1)Br)N 7a_100012001276_100011215382 [0,2,0,0,0,0|1,0,1]=4 8696 B12R1.385 N#CCOc1ccc(c(c1)Cl)Br 7a_100011215161_100011215382 [0,2,0,0,0,0|1,0,1]=4 8697 B12R1.385 N#CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100011215382 [0,2,0,0,0,0|1,0,1]=4 8698 B12R1.385 N#CCOc1ccc(c(c1)Cl)F 7a_100000211030_100011215382 [0,2,0,0,0,0|1,0,1]=4 8699 B12R1.385 N#CCOc1ccc(c(c1)Cl)I 7a_100000047559_100011215382 [0,2,0,0,0,0|1,0,1]=4 8700 B12R1.385 N#CCOc1ccc(c(c1)Cl)N 7a_100011215599_100011215382 [0,2,0,0,0,0|1,0,1]=4 8701 B12R1.385 N#CCOc1ccc(c(c1)F)Br 7a_100000755031_100011215382 [0,2,0,0,0,0|1,0,1]=4 8702 B12R1.385 N#CCOc1ccc(c(c1)F)Cl 7a_100000691581_100011215382 [0,2,0,0,0,0|1,0,1]=4 8703 B12R1.385 N#CCOc1ccc(c(c1)F)F 7a_100000181275_100011215382 [0,2,0,0,0,0|1,0,1]=4 8704 B12R1.385 N#CCOc1ccc(c(c1)F)I 7a_100009990212_100011215382 [0,2,0,0,0,0|1,0,1]=4 8705 B12R1.385 N#CCOc1ccc(c(c1)F)N 7a_100000759473_100011215382 [0,2,0,0,0,0|1,0,1]=4 8706 B12R1.385 N#CCOc1ccc(c(c1)I)Br 7a_100012339312_100011215382 [0,2,0,0,0,0|1,0,1]=4 8707 B12R1.385 N#CCOc1ccc(c(c1)I)Cl 7a_100000049588_100011215382 [0,2,0,0,0,0|1,0,1]=4 8708 B12R1.385 N#CCOc1ccc(c(c1)I)N 7a_100010084370_100011215382 [0,2,0,0,0,0|1,0,1]=4 8709 B12R1.385 N#CCOc1ccc(c(c1)N)Br 7a_100011999798_100011215382 [0,2,0,0,0,0|1,0,1]=4 8710 B12R1.385 N#CCOc1ccc(c(c1)N)F 7a_100012017239_100011215382 [0,2,0,0,0,0|1,0,1]=4 8711 B12R1.385 Nc1cc(ccc1Br)OCC=O 34a_100011999798_200009817547 [0,2,0,0,0,0|0,0,2]=4 8712 B12R1.385 Nc1cc(ccc1Br)OCC=O 7a_100011999798_200015260668 [0,2,0,0,0,0|0,0,2]=4 8713 B12R1.385 Nc1cc(ccc1Br)OCCF 34a_100011999798_100011217306 [0,2,0,0,0,0|1,0,0]=3 8714 B12R1.385 Nc1cc(ccc1Br)OCCF 7a_100011999798_100011217306 [0,2,0,0,0,0|1,0,0]=3 8715 B12R1.385 Nc1cc(ccc1Br)OCCO 34a_100011999798_100000211926 [0,2,0,0,0,0|0,0,0]=2 8716 B12R1.385 Nc1cc(ccc1Br)OCCO 7a_100011999798_100000211926 [0,2,0,0,0,0|0,0,0]=2 8717 B12R1.385 Nc1cc(ccc1Br)SCCF 62a_100000750456_100011217306 [0,2,0,0,0,0|1,1,0]=4 8718 B12R1.385 Nc1cc(ccc1Br)SCCF 62a_100011217306_100000750456 [0,2,0,0,0,0|1,1,0]=4 8719 B12R1.385 Nc1cc(ccc1Br)SCCO 62a_100000211926_100000750456 [0,2,0,0,0,0|0,1,0]=3 8720 B12R1.385 Nc1cc(ccc1Br)SCCO 62a_100000750456_100000211926 [0,2,0,0,0,0|0,1,0]=3 8721 B12R1.385 Nc1cc(ccc1Cl)OCC=O 34a_100011934297_200009817547 [0,2,0,0,0,0|0,0,2]=4 8722 B12R1.385 Nc1cc(ccc1Cl)OCCF 34a_100011934297_100011217306 [0,2,0,0,0,0|1,0,0]=3 8723 B12R1.385 Nc1cc(ccc1Cl)OCCO 34a_100011934297_100000211926 [0,2,0,0,0,0|0,0,0]=2 8724 B12R1.385 Nc1cc(ccc1Cl)SCCF 62a_100011217306_200000761891 [0,2,0,0,0,0|1,1,0]=4 8725 B12R1.385 Nc1cc(ccc1Cl)SCCF 62a_200000761891_100011217306 [0,2,0,0,0,0|1,1,0]=4 8726 B12R1.385 Nc1cc(ccc1Cl)SCCO 62a_100000211926_200000761891 [0,2,0,0,0,0|0,1,0]=3 8727 B12R1.385 Nc1cc(ccc1Cl)SCCO 62a_200000761891_100000211926 [0,2,0,0,0,0|0,1,0]=3 8728 B12R1.385 Nc1cc(ccc1F)OCC=O 34a_100012017239_200009817547 [0,2,0,0,0,0|0,0,2]=4 8729 B12R1.385 Nc1cc(ccc1F)OCC=O 7a_100012017239_200015260668 [0,2,0,0,0,0|0,0,2]=4 8730 B12R1.385 Nc1cc(ccc1F)OCCF 34a_100012017239_100011217306 [0,2,0,0,0,0|1,0,0]=3 8731 B12R1.385 Nc1cc(ccc1F)OCCF 7a_100012017239_100011217306 [0,2,0,0,0,0|1,0,0]=3 8732 B12R1.385 Nc1cc(ccc1F)OCCO 34a_100012017239_100000211926 [0,2,0,0,0,0|0,0,0]=2 8733 B12R1.385 Nc1cc(ccc1F)OCCO 7a_100012017239_100000211926 [0,2,0,0,0,0|0,0,0]=2 8734 B12R1.385 Nc1cc(ccc1F)SCCF 62a_100000740924_100011217306 [0,2,0,0,0,0|1,1,0]=4 8735 B12R1.385 Nc1cc(ccc1F)SCCF 62a_100011217306_100000740924 [0,2,0,0,0,0|1,1,0]=4 8736 B12R1.385 Nc1cc(ccc1F)SCCO 62a_100000211926_100000740924 [0,2,0,0,0,0|0,1,0]=3 8737 B12R1.385 Nc1cc(ccc1F)SCCO 62a_100000740924_100000211926 [0,2,0,0,0,0|0,1,0]=3 8738 B12R1.385 Nc1cc(ccc1O)SCCF 62a_100000752626_100011217306 [0,2,0,0,0,0|1,1,0]=4 8739 B12R1.385 Nc1cc(ccc1O)SCCF 62a_100011217306_100000752626 [0,2,0,0,0,0|1,1,0]=4 8740 B12R1.385 Nc1cc(ccc1O)SCCO 62a_100000211926_100000752626 [0,2,0,0,0,0|0,1,0]=3 8741 B12R1.385 Nc1cc(ccc1O)SCCO 62a_100000752626_100000211926 [0,2,0,0,0,0|0,1,0]=3 8742 B12R1.385 Nc1cc(cnc1Cl)SCCO 62a_100000211926_100009828400 [0,2,0,0,0,0|1,1,0]=4 8743 B12R1.385 Nc1cc(cnc1Cl)SCCO 62a_100009828400_100000211926 [0,2,0,0,0,0|1,1,0]=4 8744 B12R1.385 Nc1cc(cnc1F)SCCO 62a_100000211926_100009816798 [0,2,0,0,0,0|1,1,0]=4 8745 B12R1.385 Nc1cc(cnc1F)SCCO 62a_100009816798_100000211926 [0,2,0,0,0,0|1,1,0]=4 8746 B12R1.385 Nc1cc(cnc1N)SCCO 62a_100000184470_100000211926 [0,2,0,0,0,0|1,1,0]=4 8747 B12R1.385 Nc1cc(cnc1N)SCCO 62a_100000211926_100000184470 [0,2,0,0,0,0|1,1,0]=4 8748 B12R1.385 Nc1cc(cnc1O)SCCO 62a_100000211926_100000743729 [0,2,0,0,0,0|1,1,0]=4 8749 B12R1.385 Nc1cc(cnc1O)SCCO 62a_100000743729_100000211926 [0,2,0,0,0,0|1,1,0]=4 8750 B12R1.385 Nc1cc(ncc1F)SCCO 62a_100000126464_100000211926 [0,2,0,0,0,0|1,1,0]=4 8751 B12R1.385 Nc1cc(ncc1F)SCCO 62a_100000211926_100000126464 [0,2,0,0,0,0|1,1,0]=4 8752 B12R1.385 Nc1cc(ncc1O)SCCO 62a_100000211926_100009819941 [0,2,0,0,0,0|1,1,0]=4 8753 B12R1.385 Nc1cc(ncc1O)SCCO 62a_100009819941_100000211926 [0,2,0,0,0,0|1,1,0]=4 8754 B12R1.385 Nc1ccc(cc1Br)OCC=O 34a_100012001276_200009817547 [0,2,0,0,0,0|0,0,2]=4 8755 B12R1.385 Nc1ccc(cc1Br)OCC=O 7a_100012001276_200015260668 [0,2,0,0,0,0|0,0,2]=4 8756 B12R1.385 Nc1ccc(cc1Br)OCCF 34a_100012001276_100011217306 [0,2,0,0,0,0|1,0,0]=3 8757 B12R1.385 Nc1ccc(cc1Br)OCCF 7a_100012001276_100011217306 [0,2,0,0,0,0|1,0,0]=3 8758 B12R1.385 Nc1ccc(cc1Br)OCCO 34a_100012001276_100000211926 [0,2,0,0,0,0|0,0,0]=2 8759 B12R1.385 Nc1ccc(cc1Br)OCCO 7a_100012001276_100000211926 [0,2,0,0,0,0|0,0,0]=2 8760 B12R1.385 Nc1ccc(cc1Br)SCCF 62a_100000750455_100011217306 [0,2,0,0,0,0|1,1,0]=4 8761 B12R1.385 Nc1ccc(cc1Br)SCCF 62a_100011217306_100000750455 [0,2,0,0,0,0|1,1,0]=4 8762 B12R1.385 Nc1ccc(cc1Br)SCCO 62a_100000211926_100000750455 [0,2,0,0,0,0|0,1,0]=3 8763 B12R1.385 Nc1ccc(cc1Br)SCCO 62a_100000750455_100000211926 [0,2,0,0,0,0|0,1,0]=3 8764 B12R1.385 Nc1ccc(cc1Cl)OCC=O 34a_100011215599_200009817547 [0,2,0,0,0,0|0,0,2]=4 8765 B12R1.385 Nc1ccc(cc1Cl)OCC=O 7a_100011215599_200015260668 [0,2,0,0,0,0|0,0,2]=4 8766 B12R1.385 Nc1ccc(cc1Cl)OCCF 34a_100011215599_100011217306 [0,2,0,0,0,0|1,0,0]=3 8767 B12R1.385 Nc1ccc(cc1Cl)OCCF 7a_100011215599_100011217306 [0,2,0,0,0,0|1,0,0]=3 8768 B12R1.385 Nc1ccc(cc1Cl)OCCO 34a_100011215599_100000211926 [0,2,0,0,0,0|0,0,0]=2 8769 B12R1.385 Nc1ccc(cc1Cl)OCCO 7a_100011215599_100000211926 [0,2,0,0,0,0|0,0,0]=2 8770 B12R1.385 Nc1ccc(cc1Cl)SCCF 62a_100011217306_100011218065 [0,2,0,0,0,0|1,1,0]=4 8771 B12R1.385 Nc1ccc(cc1Cl)SCCF 62a_100011218065_100011217306 [0,2,0,0,0,0|1,1,0]=4 8772 B12R1.385 Nc1ccc(cc1Cl)SCCO 62a_100000211926_100011218065 [0,2,0,0,0,0|0,1,0]=3 8773 B12R1.385 Nc1ccc(cc1Cl)SCCO 62a_100011218065_100000211926 [0,2,0,0,0,0|0,1,0]=3 8774 B12R1.385 Nc1ccc(cc1F)OCC=O 34a_100000759473_200009817547 [0,2,0,0,0,0|0,0,2]=4 8775 B12R1.385 Nc1ccc(cc1F)OCC=O 7a_100000759473_200015260668 [0,2,0,0,0,0|0,0,2]=4 8776 B12R1.385 Nc1ccc(cc1F)OCCF 34a_100000759473_100011217306 [0,2,0,0,0,0|1,0,0]=3 8777 B12R1.385 Nc1ccc(cc1F)OCCF 7a_100000759473_100011217306 [0,2,0,0,0,0|1,0,0]=3 8778 B12R1.385 Nc1ccc(cc1F)OCCO 34a_100000759473_100000211926 [0,2,0,0,0,0|0,0,0]=2 8779 B12R1.385 Nc1ccc(cc1F)OCCO 7a_100000759473_100000211926 [0,2,0,0,0,0|0,0,0]=2 8780 B12R1.385 Nc1ccc(cc1F)SCCF 62a_100011215594_100011217306 [0,2,0,0,0,0|1,1,0]=4 8781 B12R1.385 Nc1ccc(cc1F)SCCF 62a_100011217306_100011215594 [0,2,0,0,0,0|1,1,0]=4 8782 B12R1.385 Nc1ccc(cc1F)SCCO 62a_100000211926_100011215594 [0,2,0,0,0,0|0,1,0]=3 8783 B12R1.385 Nc1ccc(cc1F)SCCO 62a_100011215594_100000211926 [0,2,0,0,0,0|0,1,0]=3 8784 B12R1.385 Nc1ccc(cc1I)OCC=O 34a_100010084370_200009817547 [0,2,0,0,0,0|0,0,2]=4 8785 B12R1.385 Nc1ccc(cc1I)OCC=O 7a_100010084370_200015260668 [0,2,0,0,0,0|0,0,2]=4 8786 B12R1.385 Nc1ccc(cc1I)OCCF 34a_100010084370_100011217306 [0,2,0,0,0,0|1,0,0]=3 8787 B12R1.385 Nc1ccc(cc1I)OCCF 7a_100010084370_100011217306 [0,2,0,0,0,0|1,0,0]=3 8788 B12R1.385 Nc1ccc(cc1I)OCCO 34a_100010084370_100000211926 [0,2,0,0,0,0|0,0,0]=2 8789 B12R1.385 Nc1ccc(cc1I)OCCO 7a_100010084370_100000211926 [0,2,0,0,0,0|0,0,0]=2 8790 B12R1.385 Nc1ccc(cc1N)OCC=O 34a_100025771000_200009817547 [0,2,0,0,0,0|0,0,2]=4 8791 B12R1.385 Nc1ccc(cc1N)OCCF 34a_100025771000_100011217306 [0,2,0,0,0,0|1,0,0]=3 8792 B12R1.385 Nc1ccc(cc1N)OCCO 34a_100025771000_100000211926 [0,2,0,0,0,0|0,0,0]=2 8793 B12R1.385 Nc1ccc(cc1N)SCCF 62a_100000741789_100011217306 [0,2,0,0,0,0|1,1,0]=4 8794 B12R1.385 Nc1ccc(cc1N)SCCF 62a_100011217306_100011534411 [0,2,0,0,0,0|1,1,0]=4 8795 B12R1.385 Nc1ccc(cc1N)SCCO 62a_100000211926_100011534411 [0,2,0,0,0,0|0,1,0]=3 8796 B12R1.385 Nc1ccc(cc1N)SCCO 62a_100000741789_100000211926 [0,2,0,0,0,0|0,1,0]=3 8797 B12R1.385 Nc1ccc(cc1O)SCCF 62a_100000739049_100011217306 [0,2,0,0,0,0|1,1,0]=4 8798 B12R1.385 Nc1ccc(cc1O)SCCF 62a_100011217306_100000739049 [0,2,0,0,0,0|1,1,0]=4 8799 B12R1.385 Nc1ccc(cc1O)SCCO 62a_100000211926_100000739049 [0,2,0,0,0,0|0,1,0]=3 8800 B12R1.385 Nc1ccc(cc1O)SCCO 62a_100000739049_100000211926 [0,2,0,0,0,0|0,1,0]=3 8801 B12R1.385 Nc1ccc(nc1Cl)SCCO 62a_100000211926_200010233646 [0,2,0,0,0,0|1,1,0]=4 8802 B12R1.385 Nc1ccc(nc1Cl)SCCO 62a_200010233646_100000211926 [0,2,0,0,0,0|1,1,0]=4 8803 B12R1.385 Nc1ccc(nc1F)SCCO 62a_100000211926_100009856439 [0,2,0,0,0,0|1,1,0]=4 8804 B12R1.385 Nc1ccc(nc1F)SCCO 62a_100009856439_100000211926 [0,2,0,0,0,0|1,1,0]=4 8805 B12R1.385 Nc1ccc(nc1N)SCCO 62a_100000747239_100000211926 [0,2,0,0,0,0|1,1,0]=4 8806 B12R1.385 Nc1ccc(nc1O)SCCO 62a_100000718904_100000211926 [0,2,0,0,0,0|1,1,0]=4 8807 B12R1.385 Nc1cnc(cc1N)SCCO 62a_100000067514_100000211926 [0,2,0,0,0,0|1,1,0]=4 8808 B12R1.385 Nc1cnc(cc1N)SCCO 62a_100000211926_100000067514 [0,2,0,0,0,0|1,1,0]=4 8809 B12R1.385 Nc1nc(ccc1F)SCCO 62a_100000211926_100016091773 [0,2,0,0,0,0|1,1,0]=4 8810 B12R1.385 Nc1nc(ccc1F)SCCO 62a_100016091773_100000211926 [0,2,0,0,0,0|1,1,0]=4 8811 B12R1.385 Nc1nc(ccc1O)SCCO 62a_100000211926_100000685527 [0,2,0,0,0,0|1,1,0]=4 8812 B12R1.385 Nc1nc(ccc1O)SCCO 62a_100000685527_100000211926 [0,2,0,0,0,0|1,1,0]=4 8813 B12R1.385 Nc1ncc(cc1Br)SCCO 62a_100000211926_100012353989 [0,2,0,0,0,0|1,1,0]=4 8814 B12R1.385 Nc1ncc(cc1Br)SCCO 62a_100012353989_100000211926 [0,2,0,0,0,0|1,1,0]=4 8815 B12R1.385 Nc1ncc(cc1Cl)SCCO 62a_100000211926_100012356299 [0,2,0,0,0,0|1,1,0]=4 8816 B12R1.385 Nc1ncc(cc1Cl)SCCO 62a_100012356299_100000211926 [0,2,0,0,0,0|1,1,0]=4 8817 B12R1.385 Nc1ncc(cc1F)SCCO 62a_100000211926_100000693161 [0,2,0,0,0,0|1,1,0]=4 8818 B12R1.385 Nc1ncc(cc1F)SCCO 62a_100000693161_100000211926 [0,2,0,0,0,0|1,1,0]=4 8819 B12R1.385 Nc1ncc(cc1O)SCCO 62a_100000211926_100009819042 [0,2,0,0,0,0|1,1,0]=4 8820 B12R1.385 Nc1ncc(cc1O)SCCO 62a_100009819042_100000211926 [0,2,0,0,0,0|1,1,0]=4 8821 B12R1.385 O=CCOc1ccc(c(c1)Br)Cl 34a_100011933957_200009817547 [0,2,0,0,0,0|0,0,2]=4 8822 B12R1.385 O=CCOc1ccc(c(c1)Br)Cl 7a_100011933957_200015260668 [0,2,0,0,0,0|0,0,2]=4 8823 B12R1.385 O=CCOc1ccc(c(c1)Br)F 34a_100000693481_200009817547 [0,2,0,0,0,0|0,0,2]=4 8824 B12R1.385 O=CCOc1ccc(c(c1)Br)F 7a_100000693481_200015260668 [0,2,0,0,0,0|0,0,2]=4 8825 B12R1.385 O=CCOc1ccc(c(c1)Br)I 34a_100000701344_200009817547 [0,2,0,0,0,0|0,0,2]=4 8826 B12R1.385 O=CCOc1ccc(c(c1)Br)I 7a_100000701344_200015260668 [0,2,0,0,0,0|0,0,2]=4 8827 B12R1.385 O=CCOc1ccc(c(c1)Cl)Br 34a_100011215161_200009817547 [0,2,0,0,0,0|0,0,2]=4 8828 B12R1.385 O=CCOc1ccc(c(c1)Cl)Br 7a_100011215161_200015260668 [0,2,0,0,0,0|0,0,2]=4 8829 B12R1.385 O=CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_200009817547 [0,2,0,0,0,0|0,0,2]=4 8830 B12R1.385 O=CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_200015260668 [0,2,0,0,0,0|0,0,2]=4 8831 B12R1.385 O=CCOc1ccc(c(c1)Cl)F 34a_100000211030_200009817547 [0,2,0,0,0,0|0,0,2]=4 8832 B12R1.385 O=CCOc1ccc(c(c1)Cl)F 7a_100000211030_200015260668 [0,2,0,0,0,0|0,0,2]=4 8833 B12R1.385 O=CCOc1ccc(c(c1)Cl)I 34a_100000047559_200009817547 [0,2,0,0,0,0|0,0,2]=4 8834 B12R1.385 O=CCOc1ccc(c(c1)Cl)I 7a_100000047559_200015260668 [0,2,0,0,0,0|0,0,2]=4 8835 B12R1.385 O=CCOc1ccc(c(c1)F)Br 34a_100000755031_200009817547 [0,2,0,0,0,0|0,0,2]=4 8836 B12R1.385 O=CCOc1ccc(c(c1)F)Br 7a_100000755031_200015260668 [0,2,0,0,0,0|0,0,2]=4 8837 B12R1.385 O=CCOc1ccc(c(c1)F)Cl 34a_100000691581_200009817547 [0,2,0,0,0,0|0,0,2]=4 8838 B12R1.385 O=CCOc1ccc(c(c1)F)Cl 7a_100000691581_200015260668 [0,2,0,0,0,0|0,0,2]=4 8839 B12R1.385 O=CCOc1ccc(c(c1)F)F 34a_100000181275_200009817547 [0,2,0,0,0,0|0,0,2]=4 8840 B12R1.385 O=CCOc1ccc(c(c1)F)F 7a_100000181275_200015260668 [0,2,0,0,0,0|0,0,2]=4 8841 B12R1.385 O=CCOc1ccc(c(c1)F)I 34a_100009990212_200009817547 [0,2,0,0,0,0|0,0,2]=4 8842 B12R1.385 O=CCOc1ccc(c(c1)F)I 7a_100009990212_200015260668 [0,2,0,0,0,0|0,0,2]=4 8843 B12R1.385 O=CCOc1ccc(c(c1)I)Br 34a_100012339312_200009817547 [0,2,0,0,0,0|0,0,2]=4 8844 B12R1.385 O=CCOc1ccc(c(c1)I)Br 7a_100012339312_200015260668 [0,2,0,0,0,0|0,0,2]=4 8845 B12R1.385 O=CCOc1ccc(c(c1)I)Cl 34a_100000049588_200009817547 [0,2,0,0,0,0|0,0,2]=4 8846 B12R1.385 O=CCOc1ccc(c(c1)I)Cl 7a_100000049588_200015260668 [0,2,0,0,0,0|0,0,2]=4 8847 B12R1.385 O=c1[nH]cc(cc1Br)SCCO 62a_100000211926_100010125443 [0,2,0,0,0,0|1,1,0]=4 8848 B12R1.385 O=c1[nH]cc(cc1Br)SCCO 62a_100010125443_100000211926 [0,2,0,0,0,0|1,1,0]=4 8849 B12R1.385 O=c1[nH]cc(cc1F)SCCO 62a_100000211926_100000723523 [0,2,0,0,0,0|1,1,0]=4 8850 B12R1.385 O=c1[nH]cc(cc1F)SCCO 62a_100000723523_100000211926 [0,2,0,0,0,0|1,1,0]=4 8851 B12R1.385 O=c1[nH]cc(cc1O)SCCO 62a_100000211926_100009814561 [0,2,0,0,0,0|1,1,0]=4 8852 B12R1.385 OCCNc1ccc(c(c1)Br)Br 2230a_100011306057_100000211926 [0,2,0,0,0,0|1,0,0]=3 8853 B12R1.385 OCCNc1ccc(c(c1)Br)Br 34a_100011306057_100000211926 [0,2,0,0,0,0|1,0,0]=3 8854 B12R1.385 OCCNc1ccc(c(c1)Br)Br 7a_100011306057_100000211926 [0,2,0,0,0,0|1,0,0]=3 8855 B12R1.385 OCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000211926 [0,2,0,0,0,0|1,0,0]=3 8856 B12R1.385 OCCNc1ccc(c(c1)Br)Cl 34a_100000686031_100000211926 [0,2,0,0,0,0|1,0,0]=3 8857 B12R1.385 OCCNc1ccc(c(c1)Br)F 2230a_100000760356_100000211926 [0,2,0,0,0,0|1,0,0]=3 8858 B12R1.385 OCCNc1ccc(c(c1)Br)F 34a_100000760356_100000211926 [0,2,0,0,0,0|1,0,0]=3 8859 B12R1.385 OCCNc1ccc(c(c1)Br)F 7a_100000760356_100000211926 [0,2,0,0,0,0|1,0,0]=3 8860 B12R1.385 OCCNc1ccc(c(c1)Br)I 34a_100000750458_100000211926 [0,2,0,0,0,0|1,0,0]=3 8861 B12R1.385 OCCNc1ccc(c(c1)Br)O 34a_100011534360_100000211926 [0,2,0,0,0,0|1,0,0]=3 8862 B12R1.385 OCCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000211926 [0,2,0,0,0,0|1,0,0]=3 8863 B12R1.385 OCCNc1ccc(c(c1)Cl)Br 34a_100000687081_100000211926 [0,2,0,0,0,0|1,0,0]=3 8864 B12R1.385 OCCNc1ccc(c(c1)Cl)Br 7a_100000687081_100000211926 [0,2,0,0,0,0|1,0,0]=3 8865 B12R1.385 OCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000211926 [0,2,0,0,0,0|1,0,0]=3 8866 B12R1.385 OCCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000211926 [0,2,0,0,0,0|1,0,0]=3 8867 B12R1.385 OCCNc1ccc(c(c1)Cl)F 2230a_100000211060_100000211926 [0,2,0,0,0,0|1,0,0]=3 8868 B12R1.385 OCCNc1ccc(c(c1)Cl)F 34a_100000211060_100000211926 [0,2,0,0,0,0|1,0,0]=3 8869 B12R1.385 OCCNc1ccc(c(c1)Cl)F 7a_100000211060_100000211926 [0,2,0,0,0,0|1,0,0]=3 8870 B12R1.385 OCCNc1ccc(c(c1)Cl)I 34a_100000761885_100000211926 [0,2,0,0,0,0|1,0,0]=3 8871 B12R1.385 OCCNc1ccc(c(c1)Cl)O 34a_100000744943_100000211926 [0,2,0,0,0,0|1,0,0]=3 8872 B12R1.385 OCCNc1ccc(c(c1)F)Br 2230a_100000759894_100000211926 [0,2,0,0,0,0|1,0,0]=3 8873 B12R1.385 OCCNc1ccc(c(c1)F)Br 34a_100000759894_100000211926 [0,2,0,0,0,0|1,0,0]=3 8874 B12R1.385 OCCNc1ccc(c(c1)F)Br 7a_100000759894_100000211926 [0,2,0,0,0,0|1,0,0]=3 8875 B12R1.385 OCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000211926 [0,2,0,0,0,0|1,0,0]=3 8876 B12R1.385 OCCNc1ccc(c(c1)F)Cl 34a_100000739366_100000211926 [0,2,0,0,0,0|1,0,0]=3 8877 B12R1.385 OCCNc1ccc(c(c1)F)Cl 7a_100000739366_100000211926 [0,2,0,0,0,0|1,0,0]=3 8878 B12R1.385 OCCNc1ccc(c(c1)F)F 2230a_100000210724_100000211926 [0,2,0,0,0,0|1,0,0]=3 8879 B12R1.385 OCCNc1ccc(c(c1)F)F 34a_100000210724_100000211926 [0,2,0,0,0,0|1,0,0]=3 8880 B12R1.385 OCCNc1ccc(c(c1)F)F 7a_100000210724_100000211926 [0,2,0,0,0,0|1,0,0]=3 8881 B12R1.385 OCCNc1ccc(c(c1)F)I 34a_100011356925_100000211926 [0,2,0,0,0,0|1,0,0]=3 8882 B12R1.385 OCCNc1ccc(c(c1)F)I 7a_100011356925_100000211926 [0,2,0,0,0,0|1,0,0]=3 8883 B12R1.385 OCCNc1ccc(c(c1)F)O 34a_100011220035_100000211926 [0,2,0,0,0,0|1,0,0]=3 8884 B12R1.385 OCCNc1ccc(c(c1)F)O 7a_100011220035_100000211926 [0,2,0,0,0,0|1,0,0]=3 8885 B12R1.385 OCCNc1ccc(c(c1)I)Br 34a_100000750459_100000211926 [0,2,0,0,0,0|1,0,0]=3 8886 B12R1.385 OCCNc1ccc(c(c1)I)Cl 34a_100012360549_100000211926 [0,2,0,0,0,0|1,0,0]=3 8887 B12R1.385 OCCNc1ccc(c(c1)I)F 34a_114828291077_100000211926 [0,2,0,0,0,0|1,0,0]=3 8888 B12R1.385 OCCNc1ccc(c(c1)I)F 7a_114828291077_100000211926 [0,2,0,0,0,0|1,0,0]=3 8889 B12R1.385 OCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000211926 [0,2,0,0,0,0|1,0,0]=3 8890 B12R1.385 OCCNc1ccc(c(c1)O)F 34a_100012017398_100000211926 [0,2,0,0,0,0|1,0,0]=3 8891 B12R1.385 OCCNc1ccc(c(c1)O)F 7a_100012017398_100000211926 [0,2,0,0,0,0|1,0,0]=3 8892 B12R1.385 OCCNc1ccc(c(c1)O)O 34a_100102946323_100000211926 [0,2,0,0,0,0|1,0,0]=3 8893 B12R1.385 OCCNc1ccc(c(n1)F)Br 27a_100000210304_100010134343 [0,2,0,0,0,0|2,0,0]=4 8894 B12R1.385 OCCOc1cc(c(cn1)Br)Cl 34a_100010369989_100000211926 [0,2,0,0,0,0|1,0,0]=3 8895 B12R1.385 OCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100000211926 [0,2,0,0,0,0|1,0,0]=3 8896 B12R1.385 OCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000211926 [0,2,0,0,0,0|0,0,0]=2 8897 B12R1.385 OCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000211926 [0,2,0,0,0,0|0,0,0]=2 8898 B12R1.385 OCCOc1ccc(c(c1)Br)F 34a_100000693481_100000211926 [0,2,0,0,0,0|0,0,0]=2 8899 B12R1.385 OCCOc1ccc(c(c1)Br)F 7a_100000693481_100000211926 [0,2,0,0,0,0|0,0,0]=2 8900 B12R1.385 OCCOc1ccc(c(c1)Br)I 34a_100000701344_100000211926 [0,2,0,0,0,0|0,0,0]=2 8901 B12R1.385 OCCOc1ccc(c(c1)Br)I 7a_100000701344_100000211926 [0,2,0,0,0,0|0,0,0]=2 8902 B12R1.385 OCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000211926 [0,2,0,0,0,0|0,0,0]=2 8903 B12R1.385 OCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000211926 [0,2,0,0,0,0|0,0,0]=2 8904 B12R1.385 OCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000211926 [0,2,0,0,0,0|0,0,0]=2 8905 B12R1.385 OCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000211926 [0,2,0,0,0,0|0,0,0]=2 8906 B12R1.385 OCCOc1ccc(c(c1)Cl)F 34a_100000211030_100000211926 [0,2,0,0,0,0|0,0,0]=2 8907 B12R1.385 OCCOc1ccc(c(c1)Cl)F 7a_100000211030_100000211926 [0,2,0,0,0,0|0,0,0]=2 8908 B12R1.385 OCCOc1ccc(c(c1)Cl)I 34a_100000047559_100000211926 [0,2,0,0,0,0|0,0,0]=2 8909 B12R1.385 OCCOc1ccc(c(c1)Cl)I 7a_100000047559_100000211926 [0,2,0,0,0,0|0,0,0]=2 8910 B12R1.385 OCCOc1ccc(c(c1)F)Br 34a_100000755031_100000211926 [0,2,0,0,0,0|0,0,0]=2 8911 B12R1.385 OCCOc1ccc(c(c1)F)Br 7a_100000755031_100000211926 [0,2,0,0,0,0|0,0,0]=2 8912 B12R1.385 OCCOc1ccc(c(c1)F)Cl 34a_100000691581_100000211926 [0,2,0,0,0,0|0,0,0]=2 8913 B12R1.385 OCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000211926 [0,2,0,0,0,0|0,0,0]=2 8914 B12R1.385 OCCOc1ccc(c(c1)F)F 34a_100000181275_100000211926 [0,2,0,0,0,0|0,0,0]=2 8915 B12R1.385 OCCOc1ccc(c(c1)F)F 7a_100000181275_100000211926 [0,2,0,0,0,0|0,0,0]=2 8916 B12R1.385 OCCOc1ccc(c(c1)F)I 34a_100009990212_100000211926 [0,2,0,0,0,0|0,0,0]=2 8917 B12R1.385 OCCOc1ccc(c(c1)F)I 7a_100009990212_100000211926 [0,2,0,0,0,0|0,0,0]=2 8918 B12R1.385 OCCOc1ccc(c(c1)I)Br 34a_100012339312_100000211926 [0,2,0,0,0,0|0,0,0]=2 8919 B12R1.385 OCCOc1ccc(c(c1)I)Br 7a_100012339312_100000211926 [0,2,0,0,0,0|0,0,0]=2 8920 B12R1.385 OCCOc1ccc(c(c1)I)Cl 34a_100000049588_100000211926 [0,2,0,0,0,0|0,0,0]=2 8921 B12R1.385 OCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000211926 [0,2,0,0,0,0|0,0,0]=2 8922 B12R1.385 OCCOc1ccc(c(n1)F)Br 34a_100009879308_100000211926 [0,2,0,0,0,0|1,0,0]=3 8923 B12R1.385 OCCOc1cnc(c(c1)Br)Cl 34a_100012356455_100000211926 [0,2,0,0,0,0|1,0,0]=3 8924 B12R1.385 OCCOc1cnc(c(c1)Br)Cl 7a_100012356455_100000211926 [0,2,0,0,0,0|1,0,0]=3 8925 B12R1.385 OCCOc1cnc(c(c1)Br)F 34a_100009817267_100000211926 [0,2,0,0,0,0|1,0,0]=3 8926 B12R1.385 OCCOc1cnc(c(c1)Br)F 7a_100009817267_100000211926 [0,2,0,0,0,0|1,0,0]=3 8927 B12R1.385 OCCOc1cnc(c(c1)Cl)Br 34a_100010209684_100000211926 [0,2,0,0,0,0|1,0,0]=3 8928 B12R1.385 OCCOc1cnc(c(c1)Cl)Br 7a_100010209684_100000211926 [0,2,0,0,0,0|1,0,0]=3 8929 B12R1.385 OCCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100000211926 [0,2,0,0,0,0|1,0,0]=3 8930 B12R1.385 OCCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100000211926 [0,2,0,0,0,0|1,0,0]=3 8931 B12R1.385 OCCOc1cnc(c(c1)Cl)F 34a_100000087088_100000211926 [0,2,0,0,0,0|1,0,0]=3 8932 B12R1.385 OCCOc1cnc(c(c1)Cl)F 7a_100000087088_100000211926 [0,2,0,0,0,0|1,0,0]=3 8933 B12R1.385 OCCOc1cnc(c(c1)F)Cl 34a_100000063512_100000211926 [0,2,0,0,0,0|1,0,0]=3 8934 B12R1.385 OCCOc1cnc(c(c1)F)Cl 7a_100000063512_100000211926 [0,2,0,0,0,0|1,0,0]=3 8935 B12R1.385 OCCOc1cnc(c(n1)Cl)Br 34a_100010080449_100000211926 [0,2,0,0,0,0|2,0,0]=4 8936 B12R1.385 OCCSc1cc(c(cn1)F)O 62a_100000211926_100009854642 [0,2,0,0,0,0|1,1,0]=4 8937 B12R1.385 OCCSc1cc(c(cn1)F)O 62a_100009854642_100000211926 [0,2,0,0,0,0|1,1,0]=4 8938 B12R1.385 OCCSc1ccc(c(c1)Br)Br 62a_100000211926_100012356285 [0,2,0,0,0,0|0,1,0]=3 8939 B12R1.385 OCCSc1ccc(c(c1)Br)Br 62a_100012356285_100000211926 [0,2,0,0,0,0|0,1,0]=3 8940 B12R1.385 OCCSc1ccc(c(c1)Br)Cl 62a_100000211926_100012353702 [0,2,0,0,0,0|0,1,0]=3 8941 B12R1.385 OCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000211926 [0,2,0,0,0,0|0,1,0]=3 8942 B12R1.385 OCCSc1ccc(c(c1)Br)F 62a_100000211926_100012047266 [0,2,0,0,0,0|0,1,0]=3 8943 B12R1.385 OCCSc1ccc(c(c1)Br)F 62a_100012047266_100000211926 [0,2,0,0,0,0|0,1,0]=3 8944 B12R1.385 OCCSc1ccc(c(c1)Br)O 62a_100000211926_100012361655 [0,2,0,0,0,0|0,1,0]=3 8945 B12R1.385 OCCSc1ccc(c(c1)Br)O 62a_100012361655_100000211926 [0,2,0,0,0,0|0,1,0]=3 8946 B12R1.385 OCCSc1ccc(c(c1)Cl)Br 62a_100000211926_100012047281 [0,2,0,0,0,0|0,1,0]=3 8947 B12R1.385 OCCSc1ccc(c(c1)Cl)Br 62a_100012047281_100000211926 [0,2,0,0,0,0|0,1,0]=3 8948 B12R1.385 OCCSc1ccc(c(c1)Cl)Cl 62a_100000211926_100011214914 [0,2,0,0,0,0|0,1,0]=3 8949 B12R1.385 OCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000211926 [0,2,0,0,0,0|0,1,0]=3 8950 B12R1.385 OCCSc1ccc(c(c1)Cl)F 62a_100000211926_100011215976 [0,2,0,0,0,0|0,1,0]=3 8951 B12R1.385 OCCSc1ccc(c(c1)Cl)F 62a_100011215976_100000211926 [0,2,0,0,0,0|0,1,0]=3 8952 B12R1.385 OCCSc1ccc(c(c1)Cl)O 62a_100000211926_100012360047 [0,2,0,0,0,0|0,1,0]=3 8953 B12R1.385 OCCSc1ccc(c(c1)Cl)O 62a_100012360047_100000211926 [0,2,0,0,0,0|0,1,0]=3 8954 B12R1.385 OCCSc1ccc(c(c1)F)Br 62a_100000211926_100000685389 [0,2,0,0,0,0|0,1,0]=3 8955 B12R1.385 OCCSc1ccc(c(c1)F)Br 62a_100000685389_100000211926 [0,2,0,0,0,0|0,1,0]=3 8956 B12R1.385 OCCSc1ccc(c(c1)F)Cl 62a_100000211926_100011216805 [0,2,0,0,0,0|0,1,0]=3 8957 B12R1.385 OCCSc1ccc(c(c1)F)Cl 62a_100011216805_100000211926 [0,2,0,0,0,0|0,1,0]=3 8958 B12R1.385 OCCSc1ccc(c(c1)F)F 62a_100000211926_100000703953 [0,2,0,0,0,0|0,1,0]=3 8959 B12R1.385 OCCSc1ccc(c(c1)F)F 62a_100000703953_100000211926 [0,2,0,0,0,0|0,1,0]=3 8960 B12R1.385 OCCSc1ccc(c(c1)F)O 62a_100000185481_100000211926 [0,2,0,0,0,0|0,1,0]=3 8961 B12R1.385 OCCSc1ccc(c(c1)F)O 62a_100000211926_100000185481 [0,2,0,0,0,0|0,1,0]=3 8962 B12R1.385 OCCSc1ccc(c(c1)O)Br 62a_100000211926_100012356990 [0,2,0,0,0,0|0,1,0]=3 8963 B12R1.385 OCCSc1ccc(c(c1)O)Br 62a_100012356990_100000211926 [0,2,0,0,0,0|0,1,0]=3 8964 B12R1.385 OCCSc1ccc(c(c1)O)Cl 62a_100000211926_100011356854 [0,2,0,0,0,0|0,1,0]=3 8965 B12R1.385 OCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000211926 [0,2,0,0,0,0|0,1,0]=3 8966 B12R1.385 OCCSc1ccc(c(c1)O)F 62a_100000211926_100000686035 [0,2,0,0,0,0|0,1,0]=3 8967 B12R1.385 OCCSc1ccc(c(c1)O)F 62a_100000686035_100000211926 [0,2,0,0,0,0|0,1,0]=3 8968 B12R1.385 OCCSc1ccc(c(c1)O)O 62a_100000211926_100009813601 [0,2,0,0,0,0|0,1,0]=3 8969 B12R1.385 OCCSc1ccc(c(n1)Br)O 62a_100000211926_100000725334 [0,2,0,0,0,0|1,1,0]=4 8970 B12R1.385 OCCSc1ccc(c(n1)Br)O 62a_100000725334_100000211926 [0,2,0,0,0,0|1,1,0]=4 8971 B12R1.385 OCCSc1ccc(c(n1)Cl)O 62a_100000211926_100000721234 [0,2,0,0,0,0|1,1,0]=4 8972 B12R1.385 OCCSc1ccc(c(n1)F)Br 62a_100000211926_100010134343 [0,2,0,0,0,0|1,1,0]=4 8973 B12R1.385 OCCSc1ccc(c(n1)F)Br 62a_100010134343_100000211926 [0,2,0,0,0,0|1,1,0]=4 8974 B12R1.385 OCCSc1ccc(c(n1)F)O 62a_100000211926_100009819667 [0,2,0,0,0,0|1,1,0]=4 8975 B12R1.385 OCCSc1ccc(c(n1)F)O 62a_100009819667_100000211926 [0,2,0,0,0,0|1,1,0]=4 8976 B12R1.385 OCCSc1ccc(c(n1)O)F 62a_100000211926_100010729010 [0,2,0,0,0,0|1,1,0]=4 8977 B12R1.385 OCCSc1cnc(c(c1)Br)Cl 62a_100000211926_100010172733 [0,2,0,0,0,0|1,1,0]=4 8978 B12R1.385 OCCSc1cnc(c(c1)Br)Cl 62a_100010172733_100000211926 [0,2,0,0,0,0|1,1,0]=4 8979 B12R1.385 OCCSc1cnc(c(c1)Cl)O 62a_100000211926_100010238531 [0,2,0,0,0,0|1,1,0]=4 8980 B12R1.385 OCCSc1cnc(c(c1)Cl)O 62a_100010238531_100000211926 [0,2,0,0,0,0|1,1,0]=4 8981 B12R1.385 OCCSc1cnc(c(c1)F)F 62a_100000211926_100009817721 [0,2,0,0,0,0|1,1,0]=4 8982 B12R1.385 OCCSc1cnc(c(c1)F)F 62a_100009817721_100000211926 [0,2,0,0,0,0|1,1,0]=4 8983 B12R1.385 OCCSc1cnc(c(c1)O)F 62a_100000211926_100009819871 [0,2,0,0,0,0|1,1,0]=4 8984 B12R1.385 OCCSc1cnc(c(c1)O)F 62a_100009819871_100000211926 [0,2,0,0,0,0|1,1,0]=4 8985 B12R1.385 Oc1cc(ccc1Br)SCCF 62a_100011217306_100012356990 [0,2,0,0,0,0|1,1,0]=4 8986 B12R1.385 Oc1cc(ccc1Br)SCCF 62a_100012356990_100011217306 [0,2,0,0,0,0|1,1,0]=4 8987 B12R1.385 Oc1cc(ccc1Cl)NCCF 34a_100011934209_100011217306 [0,2,0,0,0,0|2,0,0]=4 8988 B12R1.385 Oc1cc(ccc1Cl)SCCF 62a_100011217306_100011356854 [0,2,0,0,0,0|1,1,0]=4 8989 B12R1.385 Oc1cc(ccc1Cl)SCCF 62a_100011356854_100011217306 [0,2,0,0,0,0|1,1,0]=4 8990 B12R1.385 Oc1cc(ccc1F)NCCF 34a_100012017398_100011217306 [0,2,0,0,0,0|2,0,0]=4 8991 B12R1.385 Oc1cc(ccc1F)NCCF 7a_100012017398_100011217306 [0,2,0,0,0,0|2,0,0]=4 8992 B12R1.385 Oc1cc(ccc1F)SCCF 62a_100000686035_100011217306 [0,2,0,0,0,0|1,1,0]=4 8993 B12R1.385 Oc1cc(ccc1F)SCCF 62a_100011217306_100000686035 [0,2,0,0,0,0|1,1,0]=4 8994 B12R1.385 Oc1ccc(cc1Br)NCCF 34a_100011534360_100011217306 [0,2,0,0,0,0|2,0,0]=4 8995 B12R1.385 Oc1ccc(cc1Br)SCCF 62a_100011217306_100012361655 [0,2,0,0,0,0|1,1,0]=4 8996 B12R1.385 Oc1ccc(cc1Br)SCCF 62a_100012361655_100011217306 [0,2,0,0,0,0|1,1,0]=4 8997 B12R1.385 Oc1ccc(cc1Cl)NCCF 34a_100000744943_100011217306 [0,2,0,0,0,0|2,0,0]=4 8998 B12R1.385 Oc1ccc(cc1Cl)SCCF 62a_100011217306_100012360047 [0,2,0,0,0,0|1,1,0]=4 8999 B12R1.385 Oc1ccc(cc1Cl)SCCF 62a_100012360047_100011217306 [0,2,0,0,0,0|1,1,0]=4 9000 B12R1.385 Oc1ccc(cc1F)NCCF 34a_100011220035_100011217306 [0,2,0,0,0,0|2,0,0]=4 9001 B12R1.385 Oc1ccc(cc1F)NCCF 7a_100011220035_100011217306 [0,2,0,0,0,0|2,0,0]=4 9002 B12R1.385 Oc1ccc(cc1F)SCCF 62a_100000185481_100011217306 [0,2,0,0,0,0|1,1,0]=4 9003 B12R1.385 Oc1ccc(cc1F)SCCF 62a_100011217306_100000185481 [0,2,0,0,0,0|1,1,0]=4 9004 B12R1.385 Oc1ccc(cc1O)NCCF 34a_100102946323_100011217306 [0,2,0,0,0,0|2,0,0]=4 9005 B12R1.385 Oc1ccc(cc1O)SCCF 62a_100011217306_100009813601 [0,2,0,0,0,0|1,1,0]=4 9006 B12R1.3 CCCC(NC)c1ccccc1 2230a_100000189686_200000210301 [0,2,0,0,0,0|2,0,0]=4 9007 B12R1.3 CCCC(NC)c1ccccc1 269862a_106832991636_100000211045 [0,2,0,0,0,0|2,0,0]=4 9008 B12R1.3 CCCC(NC)c1ccccc1 34a_100000189686_200000210301 [0,2,0,0,0,0|2,0,0]=4 9009 B12R1.3 CCCC(N[13CH3])c1ccccc1 2230a_100000189686_200025704644 [0,2,0,0,0,0|2,0,0]=4 9010 B12R1.3 CCCC(N[13CH3])c1ccccc1 34a_100000189686_200025704644 [0,2,0,0,0,0|2,0,0]=4 9011 B12R1.3 CCCC(OC)c1ccccc1 34a_100000747916_200000210301 [0,2,0,0,0,0|2,0,0]=4 9012 B12R1.3 CCCC(OC)c1ccccc1 7a_100000747916_200000210301 [0,2,0,0,0,0|2,0,0]=4 9013 B12R1.3 CCCC(O[13CH3])c1ccccc1 34a_100000747916_200025704644 [0,2,0,0,0,0|2,0,0]=4 9014 B12R1.3 CCCC(O[13CH3])c1ccccc1 7a_100000747916_200025704644 [0,2,0,0,0,0|2,0,0]=4 9015 B12R1.3 CCCN(CC)c1ccccc1 2230a_100000210013_100000210303 [0,2,0,0,0,0|2,0,0]=4 9016 B12R1.3 CCCN(CC)c1ccccc1 2230a_200011218496_100000210202 [0,2,0,0,0,0|2,0,0]=4 9017 B12R1.3 CCCN(CC)c1ccccc1 269982a_100000210013_100000210303 [0,2,0,0,0,0|2,0,0]=4 9018 B12R1.3 CCCN(CC)c1ccccc1 269982a_200011218496_100000204670 [0,2,0,0,0,0|2,0,0]=4 9019 B12R1.3 CCCN(CC)c1ccccc1 34a_100000210013_100000210303 [0,2,0,0,0,0|2,0,0]=4 9020 B12R1.3 CCCN(CC)c1ccccc1 34a_200011218496_100000210202 [0,2,0,0,0,0|2,0,0]=4 9021 B12R1.3 CCCN(CF)c1ccccc1 269982a_200011218496_100015361967 [0,2,0,0,0,0|2,0,0]=4 9022 B12R1.3 CCCN(CF)c1ccccc1 34a_200011218496_100015361967 [0,2,0,0,0,0|2,0,0]=4 9023 B12R1.3 CCN(CCF)c1ccccc1 2230a_100000210013_100011217306 [0,2,0,0,0,0|2,0,0]=4 9024 B12R1.3 CCN(CCF)c1ccccc1 269982a_100000210013_100011217306 [0,2,0,0,0,0|2,0,0]=4 9025 B12R1.3 CCN(CCF)c1ccccc1 34a_100000210013_100011217306 [0,2,0,0,0,0|2,0,0]=4 9026 B12R1.3 CCN(CCO)c1ccccc1 2230a_100000210013_100000211926 [0,2,0,0,0,0|1,0,0]=3 9027 B12R1.3 CCN(CCO)c1ccccc1 2230a_100000211345_100000210202 [0,2,0,0,0,0|1,0,0]=3 9028 B12R1.3 CCN(CCO)c1ccccc1 269982a_100000210013_100000211926 [0,2,0,0,0,0|1,0,0]=3 9029 B12R1.3 CCN(CCO)c1ccccc1 269982a_100000211345_100000204670 [0,2,0,0,0,0|1,0,0]=3 9030 B12R1.3 CCN(CCO)c1ccccc1 34a_100000210013_100000211926 [0,2,0,0,0,0|1,0,0]=3 9031 B12R1.3 CCN(CCO)c1ccccc1 34a_100000211345_100000210202 [0,2,0,0,0,0|1,0,0]=3 9032 B12R1.3 CNC(CCCl)c1ccccc1 2230a_106832991635_200010132975 [0,2,0,0,0,0|2,0,0]=4 9033 B12R1.3 CNC(CCCl)c1ccccc1 7a_106832991635_200010132975 [0,2,0,0,0,0|2,0,0]=4 9034 B12R1.3 CN[C@@H](CCO)c1ccccc1 2230a_100025705951_200000210301 [0,2,0,0,0,0|1,0,0]=3 9035 B12R1.3 COC(CCN)c1ccccc1 34a_100000763605_200000210301 [0,2,0,0,0,0|2,0,0]=4 9036 B12R1.3 CO[C@H](CCCl)c1ccccc1 34a_100000729684_200000210301 [0,2,0,0,0,0|2,0,0]=4 9037 B12R1.3 CO[C@H](CCCl)c1ccccc1 7a_100000729684_200000210301 [0,2,0,0,0,0|2,0,0]=4 9038 B12R1.3 CSC(CCCl)c1ccccc1 62a_200000210301_200010132975 [0,2,0,0,0,0|2,0,0]=4 9039 B12R1.3 CSC(CCCl)c1ccccc1 62a_200010132975_200000210301 [0,2,0,0,0,0|2,0,0]=4 9040 B12R1.3 OCCN(CF)c1ccccc1 269982a_100000211345_100015361967 [0,2,0,0,0,0|1,0,0]=3 9041 B12R1.3 OCCN(CF)c1ccccc1 34a_100000211345_100015361967 [0,2,0,0,0,0|1,0,0]=3 9042 B12R1.3 [13CH3]N[C@@H](CCO)c1ccccc1 2230a_100025705951_200025704644 [0,2,0,0,0,0|1,0,0]=3 9043 B12R1.3 [13CH3]OC(CCN)c1ccccc1 34a_100000763605_200025704644 [0,2,0,0,0,0|2,0,0]=4 9044 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 34a_100000729684_200025704644 [0,2,0,0,0,0|2,0,0]=4 9045 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 7a_100000729684_200025704644 [0,2,0,0,0,0|2,0,0]=4 9046 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200010132975_200025704644 [0,2,0,0,0,0|2,0,0]=4 9047 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200025704644_200010132975 [0,2,0,0,0,0|2,0,0]=4 9048 B12R1.17 CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210303 [0,2,0,0,0,0|2,0,0]=4 9049 B12R1.17 CCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210303 [0,2,0,0,0,0|2,0,0]=4 9050 B12R1.17 CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210303 [0,2,0,0,0,0|2,0,0]=4 9051 B12R1.17 CCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210303 [0,2,0,0,0,0|2,0,0]=4 9052 B12R1.17 CCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210303 [0,2,0,0,0,0|2,0,0]=4 9053 B12R1.17 CCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210303 [0,2,0,0,0,0|2,0,0]=4 9054 B12R1.17 CCCN(C)c1cccc(c1)Br 2230a_100000219648_100000210303 [0,2,0,0,0,0|2,0,0]=4 9055 B12R1.17 CCCN(C)c1cccc(c1)Br 269982a_100000219648_100000210303 [0,2,0,0,0,0|2,0,0]=4 9056 B12R1.17 CCCN(C)c1cccc(c1)Br 34a_100000219648_100000210303 [0,2,0,0,0,0|2,0,0]=4 9057 B12R1.17 CCCN(C)c1cccc(c1)C 2230a_100000219674_100000210303 [0,2,0,0,0,0|2,0,0]=4 9058 B12R1.17 CCCN(C)c1cccc(c1)C 269982a_100000219674_100000210303 [0,2,0,0,0,0|2,0,0]=4 9059 B12R1.17 CCCN(C)c1cccc(c1)C 34a_100000219674_100000210303 [0,2,0,0,0,0|2,0,0]=4 9060 B12R1.17 CCCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210303 [0,2,0,0,0,0|2,0,0]=4 9061 B12R1.17 CCCN(C)c1cccc(c1)Cl 269982a_100000220044_100000210303 [0,2,0,0,0,0|2,0,0]=4 9062 B12R1.17 CCCN(C)c1cccc(c1)Cl 34a_100000220044_100000210303 [0,2,0,0,0,0|2,0,0]=4 9063 B12R1.17 CCCN(C)c1cccc(c1)F 2230a_100020633736_100000210303 [0,2,0,0,0,0|2,0,0]=4 9064 B12R1.17 CCCN(C)c1cccc(c1)F 269982a_100020633736_100000210303 [0,2,0,0,0,0|2,0,0]=4 9065 B12R1.17 CCCN(C)c1cccc(c1)F 34a_100020633736_100000210303 [0,2,0,0,0,0|2,0,0]=4 9066 B12R1.17 CCCN(C)c1cccc(c1)I 2230a_100000221217_100000210303 [0,2,0,0,0,0|2,0,0]=4 9067 B12R1.17 CCCN(C)c1cccc(c1)I 269982a_100000221217_100000210303 [0,2,0,0,0,0|2,0,0]=4 9068 B12R1.17 CCCN(C)c1cccc(c1)I 34a_100000221217_100000210303 [0,2,0,0,0,0|2,0,0]=4 9069 B12R1.17 CCCN(C)c1cccc(c1)O 2230a_100000756613_100000210303 [0,2,0,0,0,0|2,0,0]=4 9070 B12R1.17 CCCN(C)c1cccc(c1)O 269982a_100000756613_100000210303 [0,2,0,0,0,0|2,0,0]=4 9071 B12R1.17 CCCN(C)c1cccc(c1)O 34a_100000756613_100000210303 [0,2,0,0,0,0|2,0,0]=4 9072 B12R1.17 CN(CCF)c1cccc(c1)Br 2230a_100000219648_100011217306 [0,2,0,0,0,0|2,0,0]=4 9073 B12R1.17 CN(CCF)c1cccc(c1)Br 269982a_100000219648_100011217306 [0,2,0,0,0,0|2,0,0]=4 9074 B12R1.17 CN(CCF)c1cccc(c1)Br 34a_100000219648_100011217306 [0,2,0,0,0,0|2,0,0]=4 9075 B12R1.17 CN(CCF)c1cccc(c1)Cl 2230a_100000220044_100011217306 [0,2,0,0,0,0|2,0,0]=4 9076 B12R1.17 CN(CCF)c1cccc(c1)Cl 269982a_100000220044_100011217306 [0,2,0,0,0,0|2,0,0]=4 9077 B12R1.17 CN(CCF)c1cccc(c1)Cl 34a_100000220044_100011217306 [0,2,0,0,0,0|2,0,0]=4 9078 B12R1.17 CN(CCF)c1cccc(c1)F 2230a_100020633736_100011217306 [0,2,0,0,0,0|2,0,0]=4 9079 B12R1.17 CN(CCF)c1cccc(c1)F 269982a_100020633736_100011217306 [0,2,0,0,0,0|2,0,0]=4 9080 B12R1.17 CN(CCF)c1cccc(c1)F 34a_100020633736_100011217306 [0,2,0,0,0,0|2,0,0]=4 9081 B12R1.17 CN(CCF)c1cccc(c1)I 2230a_100000221217_100011217306 [0,2,0,0,0,0|2,0,0]=4 9082 B12R1.17 CN(CCF)c1cccc(c1)I 269982a_100000221217_100011217306 [0,2,0,0,0,0|2,0,0]=4 9083 B12R1.17 CN(CCF)c1cccc(c1)I 34a_100000221217_100011217306 [0,2,0,0,0,0|2,0,0]=4 9084 B12R1.17 CN(CCF)c1cccc(c1)O 2230a_100000756613_100011217306 [0,2,0,0,0,0|2,0,0]=4 9085 B12R1.17 CN(CCF)c1cccc(c1)O 269982a_100000756613_100011217306 [0,2,0,0,0,0|2,0,0]=4 9086 B12R1.17 CN(CCF)c1cccc(c1)O 34a_100000756613_100011217306 [0,2,0,0,0,0|2,0,0]=4 9087 B12R1.17 CN(CCO)c1cc(ccn1)F 27a_100000210263_100000764206 [0,2,0,0,0,0|2,0,0]=4 9088 B12R1.17 CN(CCO)c1cc[nH]c(=O)c1 27a_100000210263_100000061649 [0,2,0,0,0,0|2,0,0]=4 9089 B12R1.17 CN(CCO)c1cccc(c1)Br 2230a_100000219648_100000211926 [0,2,0,0,0,0|1,0,0]=3 9090 B12R1.17 CN(CCO)c1cccc(c1)Br 269982a_100000219648_100000211926 [0,2,0,0,0,0|1,0,0]=3 9091 B12R1.17 CN(CCO)c1cccc(c1)Br 34a_100000219648_100000211926 [0,2,0,0,0,0|1,0,0]=3 9092 B12R1.17 CN(CCO)c1cccc(c1)Cl 2230a_100000220044_100000211926 [0,2,0,0,0,0|1,0,0]=3 9093 B12R1.17 CN(CCO)c1cccc(c1)Cl 269982a_100000220044_100000211926 [0,2,0,0,0,0|1,0,0]=3 9094 B12R1.17 CN(CCO)c1cccc(c1)Cl 34a_100000220044_100000211926 [0,2,0,0,0,0|1,0,0]=3 9095 B12R1.17 CN(CCO)c1cccc(c1)F 2230a_100020633736_100000211926 [0,2,0,0,0,0|1,0,0]=3 9096 B12R1.17 CN(CCO)c1cccc(c1)F 269982a_100020633736_100000211926 [0,2,0,0,0,0|1,0,0]=3 9097 B12R1.17 CN(CCO)c1cccc(c1)F 34a_100020633736_100000211926 [0,2,0,0,0,0|1,0,0]=3 9098 B12R1.17 CN(CCO)c1cccc(c1)I 2230a_100000221217_100000211926 [0,2,0,0,0,0|1,0,0]=3 9099 B12R1.17 CN(CCO)c1cccc(c1)I 269982a_100000221217_100000211926 [0,2,0,0,0,0|1,0,0]=3 9100 B12R1.17 CN(CCO)c1cccc(c1)I 34a_100000221217_100000211926 [0,2,0,0,0,0|1,0,0]=3 9101 B12R1.17 CN(CCO)c1cccc(c1)O 2230a_100000756613_100000211926 [0,2,0,0,0,0|1,0,0]=3 9102 B12R1.17 CN(CCO)c1cccc(c1)O 269982a_100000756613_100000211926 [0,2,0,0,0,0|1,0,0]=3 9103 B12R1.17 CN(CCO)c1cccc(c1)O 34a_100000756613_100000211926 [0,2,0,0,0,0|1,0,0]=3 9104 B12R1.17 CN(CCO)c1cccc(n1)F 27a_100000210263_100009815982 [0,2,0,0,0,0|2,0,0]=4 9105 B12R1.17 CN(CCO)c1ccnc(c1)F 27a_100000210263_100009816116 [0,2,0,0,0,0|2,0,0]=4 9106 B12R1.17 Cc1cc(ccn1)N(C)CCO 27a_100000210263_100000758586 [0,2,0,0,0,0|2,0,0]=4 9107 B12R1.17 Cc1cccc(c1)C(=O)CCF 1458a_100000189346_100011217306 [0,2,0,0,0,0|2,0,0]=4 9108 B12R1.17 Cc1cccc(c1)C(=O)CCO 1458a_100000189346_100000211926 [0,2,0,0,0,0|1,0,0]=3 9109 B12R1.17 Cc1cccc(c1)N(C)CCF 2230a_100000219674_100011217306 [0,2,0,0,0,0|2,0,0]=4 9110 B12R1.17 Cc1cccc(c1)N(C)CCF 269982a_100000219674_100011217306 [0,2,0,0,0,0|2,0,0]=4 9111 B12R1.17 Cc1cccc(c1)N(C)CCF 34a_100000219674_100011217306 [0,2,0,0,0,0|2,0,0]=4 9112 B12R1.17 Cc1cccc(c1)N(C)CCO 2230a_100000219674_100000211926 [0,2,0,0,0,0|1,0,0]=3 9113 B12R1.17 Cc1cccc(c1)N(C)CCO 269982a_100000219674_100000211926 [0,2,0,0,0,0|1,0,0]=3 9114 B12R1.17 Cc1cccc(c1)N(C)CCO 34a_100000219674_100000211926 [0,2,0,0,0,0|1,0,0]=3 9115 B12R1.17 NC(CCO)c1cccc(c1)O 271570a_203496583355_200011661555 [0,2,0,0,0,0|1,0,0]=3 9116 B12R1.17 O=C(CCF)c1cccc(c1)Br 1458a_100000210664_100011217306 [0,2,0,0,0,0|2,0,0]=4 9117 B12R1.17 O=C(CCF)c1cccc(c1)Cl 1458a_100000210390_100011217306 [0,2,0,0,0,0|2,0,0]=4 9118 B12R1.17 O=C(CCF)c1cccc(c1)F 1458a_100000210950_100011217306 [0,2,0,0,0,0|2,0,0]=4 9119 B12R1.17 O=C(CCF)c1cccc(c1)I 1458a_100000184098_100011217306 [0,2,0,0,0,0|2,0,0]=4 9120 B12R1.17 O=C(CCF)c1cccc(c1)O 1458a_100000183914_100011217306 [0,2,0,0,0,0|2,0,0]=4 9121 B12R1.17 O=C(CCO)c1cccc(c1)Br 1458a_100000210664_100000211926 [0,2,0,0,0,0|1,0,0]=3 9122 B12R1.17 O=C(CCO)c1cccc(c1)Cl 1458a_100000210390_100000211926 [0,2,0,0,0,0|1,0,0]=3 9123 B12R1.17 O=C(CCO)c1cccc(c1)F 1458a_100000210950_100000211926 [0,2,0,0,0,0|1,0,0]=3 9124 B12R1.17 O=C(CCO)c1cccc(c1)I 1458a_100000184098_100000211926 [0,2,0,0,0,0|1,0,0]=3 9125 B12R1.17 O=C(CCO)c1cccc(c1)O 1458a_100000183914_100000211926 [0,2,0,0,0,0|1,0,0]=3 9126 B12R1.30 C#CCCC(=O)c1ccccc1 1458a_100000185807_100000753159 [0,2,0,0,0,0|2,0,0]=4 9127 B12R1.30 C#CCCN(C)c1ccccc1 2230a_100000210012_100000688953 [0,2,0,0,0,0|2,0,0]=4 9128 B12R1.30 C#CCCN(C)c1ccccc1 269982a_100000210012_100000730999 [0,2,0,0,0,0|2,0,0]=4 9129 B12R1.30 C#CCCN(C)c1ccccc1 34a_100000210012_100000688953 [0,2,0,0,0,0|2,0,0]=4 9130 B12R1.30 C#CCOC(C)c1ccccc1 34a_100000210247_100000211855 [0,2,0,0,0,0|1,0,1]=4 9131 B12R1.30 C#CCO[C@H](C)c1ccccc1 34a_100000761318_100000184674 [0,2,0,0,0,0|1,0,1]=4 9132 B12R1.30 C#CCO[C@H](C)c1ccccc1 7a_100000761318_100000038162 [0,2,0,0,0,0|1,0,1]=4 9133 B12R1.30 C=CCCC(=O)c1ccccc1 1458a_100000185807_100000754431 [0,2,0,0,0,0|2,0,0]=4 9134 B12R1.30 C=CCCN(C)c1ccccc1 2230a_100000210012_100000754431 [0,2,0,0,0,0|2,0,0]=4 9135 B12R1.30 C=CCCN(C)c1ccccc1 269982a_100000210012_100000754431 [0,2,0,0,0,0|2,0,0]=4 9136 B12R1.30 C=CCCN(C)c1ccccc1 34a_100000210012_100000754431 [0,2,0,0,0,0|2,0,0]=4 9137 B12R1.30 C=CCOC(C)c1ccccc1 34a_200000210373_100000211855 [0,2,0,0,0,0|1,0,1]=4 9138 B12R1.30 C=CCO[C@H](C)c1ccccc1 34a_100000761318_100015514636 [0,2,0,0,0,0|1,0,1]=4 9139 B12R1.30 C=CCO[C@H](C)c1ccccc1 7a_100000761318_100015514636 [0,2,0,0,0,0|1,0,1]=4 9140 B12R1.30 CC(CNCF)c1ccccc1 34a_100000701038_100015361967 [0,2,0,0,0,0|2,0,0]=4 9141 B12R1.30 CC(COCF)c1ccccc1 34a_100011215166_100015361967 [0,2,0,0,0,0|2,0,0]=4 9142 B12R1.30 CC(COCF)c1ccccc1 7a_100011215166_100015361967 [0,2,0,0,0,0|2,0,0]=4 9143 B12R1.30 CC(CSCF)c1ccccc1 62a_100000756946_100015361967 [0,2,0,0,0,0|2,0,0]=4 9144 B12R1.30 CC(CSCF)c1ccccc1 62a_100015361967_100000756946 [0,2,0,0,0,0|2,0,0]=4 9145 B12R1.30 CC(NCCF)c1ccccc1 269862a_100000724931_100000185851 [0,2,0,0,0,0|2,0,0]=4 9146 B12R1.30 CC(NCCF)c1ccccc1 34a_100000724931_100000211855 [0,2,0,0,0,0|2,0,0]=4 9147 B12R1.30 CC(NCCO)c1ccccc1 2230a_100016997473_100000230085 [0,2,0,0,0,0|1,0,0]=3 9148 B12R1.30 CC(NCCO)c1ccccc1 269862a_100000210304_100000185851 [0,2,0,0,0,0|1,0,0]=3 9149 B12R1.30 CC(NCCO)c1ccccc1 34a_100016990907_100000211855 [0,2,0,0,0,0|1,0,0]=3 9150 B12R1.30 CC(NCCO)c1ccccn1 2230a_100000181244_100000211926 [0,2,0,0,0,0|2,0,0]=4 9151 B12R1.30 CC(NCCO)c1ccccn1 269862a_100000210304_100000210467 [0,2,0,0,0,0|2,0,0]=4 9152 B12R1.30 CC(NCCO)c1cccnc1 2230a_100000195435_100000211926 [0,2,0,0,0,0|2,0,0]=4 9153 B12R1.30 CC(NCCO)c1cccnc1 269862a_100000210304_100000210468 [0,2,0,0,0,0|2,0,0]=4 9154 B12R1.30 CC(NCCO)c1ccncc1 2230a_100000181269_100000211926 [0,2,0,0,0,0|2,0,0]=4 9155 B12R1.30 CC(NCCO)c1ccncc1 269862a_100000210304_100000185792 [0,2,0,0,0,0|2,0,0]=4 9156 B12R1.30 CC(OCCBr)c1ccccc1 34a_100000211926_100000211855 [0,2,0,0,0,0|1,0,0]=3 9157 B12R1.30 CC(OCCN)c1ccccc1 34a_100000210304_100000211855 [0,2,0,0,0,0|1,0,0]=3 9158 B12R1.30 CC(SCCF)c1ccccc1 62a_100000230085_100011217306 [0,2,0,0,0,0|1,1,0]=4 9159 B12R1.30 CC(SCCF)c1ccccc1 62a_100011217306_100000230085 [0,2,0,0,0,0|1,1,0]=4 9160 B12R1.30 CC(SCCO)c1ccccc1 62a_100000211926_100000230085 [0,2,0,0,0,0|0,1,0]=3 9161 B12R1.30 CC(SCCO)c1ccccc1 62a_100000230085_100000211926 [0,2,0,0,0,0|0,1,0]=3 9162 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [0,2,0,0,0,0|2,0,0]=4 9163 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000210012_100000210211 [0,2,0,0,0,0|2,0,0]=4 9164 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000211623_200000210301 [0,2,0,0,0,0|2,0,0]=4 9165 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000210012_100000210211 [0,2,0,0,0,0|2,0,0]=4 9166 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000211623_200000210301 [0,2,0,0,0,0|2,0,0]=4 9167 B12R1.30 CCCCN(C)c1ccccc1 34a_100000210012_100000210210 [0,2,0,0,0,0|2,0,0]=4 9168 B12R1.30 CCCCN(C)c1ccccc1 34a_100000211623_200000210301 [0,2,0,0,0,0|2,0,0]=4 9169 B12R1.30 CCCCN([13CH3])c1ccccc1 2230a_100000211623_200025704644 [0,2,0,0,0,0|2,0,0]=4 9170 B12R1.30 CCCCN([13CH3])c1ccccc1 269982a_100000211623_200025704644 [0,2,0,0,0,0|2,0,0]=4 9171 B12R1.30 CCCCN([13CH3])c1ccccc1 34a_100000211623_200025704644 [0,2,0,0,0,0|2,0,0]=4 9172 B12R1.30 CCCNC(=O)c1ccccc1 11a_100020643023_100000185807 [0,2,0,0,0,0|2,0,0]=4 9173 B12R1.30 CCCNC(=O)c1ccccc1 1626a_100020643023_100000185807 [0,2,0,0,0,0|2,0,0]=4 9174 B12R1.30 CCCNC(=O)c1ccccc1 240690a_100020643023_100000185807 [0,2,0,0,0,0|2,0,0]=4 9175 B12R1.30 CCCNC(=O)c1ccccc1 527a_100020643023_100000185807 [0,2,0,0,0,0|2,0,0]=4 9176 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [0,2,0,0,0,0|2,0,0]=4 9177 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [0,2,0,0,0,0|2,0,0]=4 9178 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [0,2,0,0,0,0|1,0,0]=3 9179 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [0,2,0,0,0,0|1,0,0]=3 9180 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [0,2,0,0,0,0|1,0,0]=3 9181 B12R1.30 CCCSC(C)c1ccccc1 62a_100000210303_100000230085 [0,2,0,0,0,0|1,1,0]=4 9182 B12R1.30 CCCSC(C)c1ccccc1 62a_100000230085_100000210303 [0,2,0,0,0,0|1,1,0]=4 9183 B12R1.30 CCNCC(C)c1ccccc1 2230a_100000701038_100000210202 [0,2,0,0,0,0|2,0,0]=4 9184 B12R1.30 CCNCC(C)c1ccccc1 2230a_100015525214_100000756946 [0,2,0,0,0,0|2,0,0]=4 9185 B12R1.30 CCNCC(C)c1ccccc1 270004a_100015525214_100000212034 [0,2,0,0,0,0|2,0,0]=4 9186 B12R1.30 CCNCC(C)c1ccccc1 34a_100000701038_100000210202 [0,2,0,0,0,0|2,0,0]=4 9187 B12R1.30 CCNCC(O)c1ccccc1 2230a_100000210709_100000210202 [0,2,0,0,0,0|2,0,0]=4 9188 B12R1.30 CCNCC(O)c1ccccc1 2230a_100015525214_100000185958 [0,2,0,0,0,0|2,0,0]=4 9189 B12R1.30 CCNC[C@@H](O)c1ccccc1 2230a_100015525214_100011933945 [0,2,0,0,0,0|2,0,0]=4 9190 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [0,2,0,0,0,0|2,0,0]=4 9191 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [0,2,0,0,0,0|2,0,0]=4 9192 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [0,2,0,0,0,0|2,0,0]=4 9193 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [0,2,0,0,0,0|2,0,0]=4 9194 B12R1.30 CCOCN(C)c1ccccc1 269982a_100000210012_100000739092 [0,2,0,0,0,0|2,0,0]=4 9195 B12R1.30 CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210202 [0,2,0,0,0,0|2,0,0]=4 9196 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [0,2,0,0,0,0|2,0,0]=4 9197 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000210202_100000211460 [0,2,0,0,0,0|2,0,0]=4 9198 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000211460_100000210202 [0,2,0,0,0,0|2,0,0]=4 9199 B12R1.30 CCSCC(C)c1ccccc1 62a_100000210202_100000756946 [0,2,0,0,0,0|2,0,0]=4 9200 B12R1.30 CCSCC(C)c1ccccc1 62a_100000756946_100000210202 [0,2,0,0,0,0|2,0,0]=4 9201 B12R1.30 CCSCC(O)c1ccccc1 62a_100000185958_100000210202 [0,2,0,0,0,0|2,0,0]=4 9202 B12R1.30 CCSCC(O)c1ccccc1 62a_100000210202_100000185958 [0,2,0,0,0,0|2,0,0]=4 9203 B12R1.30 CCSCS(=O)c1ccccc1 62a_100000210202_100000031784 [0,2,0,0,0,0|1,1,0]=4 9204 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100000210202_100011933945 [0,2,0,0,0,0|2,0,0]=4 9205 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210202 [0,2,0,0,0,0|2,0,0]=4 9206 B12R1.30 CN(CCC#N)c1ccccc1 2230a_100000183874_200000210301 [0,2,0,0,0,0|2,0,0]=4 9207 B12R1.30 CN(CCC#N)c1ccccc1 2230a_100000210012_100011215226 [0,2,0,0,0,0|2,0,0]=4 9208 B12R1.30 CN(CCC#N)c1ccccc1 269982a_100000210012_100011215226 [0,2,0,0,0,0|2,0,0]=4 9209 B12R1.30 CN(CCCF)c1ccccc1 2230a_100000210012_100011934791 [0,2,0,0,0,0|2,0,0]=4 9210 B12R1.30 CN(CCCF)c1ccccc1 269982a_100000210012_100011934791 [0,2,0,0,0,0|2,0,0]=4 9211 B12R1.30 CN(CCCF)c1ccccc1 34a_100000210012_100011934791 [0,2,0,0,0,0|2,0,0]=4 9212 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000210012_100000230001 [0,2,0,0,0,0|1,0,0]=3 9213 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000212590_200000210301 [0,2,0,0,0,0|1,0,0]=3 9214 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000210012_100011215043 [0,2,0,0,0,0|1,0,0]=3 9215 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000212590_200000210301 [0,2,0,0,0,0|1,0,0]=3 9216 B12R1.30 CN(CCCO)c1ccccc1 34a_100000210012_100000230001 [0,2,0,0,0,0|1,0,0]=3 9217 B12R1.30 CN(CCCO)c1ccccc1 34a_100000212590_200000210301 [0,2,0,0,0,0|1,0,0]=3 9218 B12R1.30 CNCCC(=O)c1ccccc1 2230a_106832991635_100000750707 [0,2,0,0,0,0|2,0,0]=4 9219 B12R1.30 CNCCC(=O)c1ccccc1 7a_106832991635_100000750707 [0,2,0,0,0,0|2,0,0]=4 9220 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [0,2,0,0,0,0|2,0,0]=4 9221 B12R1.30 CNCCC(O)c1ccccc1 2230a_100000763605_200000210301 [0,2,0,0,0,0|2,0,0]=4 9222 B12R1.30 CNCCS(=O)c1ccccc1 2230a_106832991635_100000740319 [0,2,0,0,0,0|1,1,0]=4 9223 B12R1.30 CNCCS(=O)c1ccccc1 7a_106832991635_100000740319 [0,2,0,0,0,0|1,1,0]=4 9224 B12R1.30 CNCC[C@@H](O)c1ccccc1 2230a_106832991635_100000729684 [0,2,0,0,0,0|2,0,0]=4 9225 B12R1.30 CNCC[C@@H](O)c1ccccc1 34a_100102657272_100000729684 [0,2,0,0,0,0|2,0,0]=4 9226 B12R1.30 CNCC[C@@H](O)c1ccccc1 7a_106832991635_100000729684 [0,2,0,0,0,0|2,0,0]=4 9227 B12R1.30 CNCOC(=O)c1ccccc1 7a_106832991635_100000073877 [0,2,0,0,0,0|2,0,0]=4 9228 B12R1.30 COCCC(=O)c1ccccc1 1458a_100000185807_100000233755 [0,2,0,0,0,0|1,0,0]=3 9229 B12R1.30 COCCN(C)c1ccccc1 2230a_100000210012_100011201679 [0,2,0,0,0,0|1,0,0]=3 9230 B12R1.30 COCCN(C)c1ccccc1 269982a_100000210012_100000233755 [0,2,0,0,0,0|1,0,0]=3 9231 B12R1.30 COCCN(C)c1ccccc1 34a_100000210012_100011201679 [0,2,0,0,0,0|1,0,0]=3 9232 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [0,2,0,0,0,0|1,0,0]=3 9233 B12R1.30 COCC[C@H](N)c1ccccc1 34a_100025705951_200000210301 [0,2,0,0,0,0|1,0,0]=3 9234 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [0,2,0,0,0,0|2,0,0]=4 9235 B12R1.30 COCSC(C)c1ccccc1 62a_100000230085_100000766300 [0,2,0,0,0,0|2,0,0]=4 9236 B12R1.30 COCSC(C)c1ccccc1 62a_100000766300_100000230085 [0,2,0,0,0,0|2,0,0]=4 9237 B12R1.30 CSCCC(=O)c1ccccc1 1458a_100000185807_100000751147 [0,2,0,0,0,0|1,1,0]=4 9238 B12R1.30 CSCCC(=O)c1ccccc1 62a_100000750707_200000210301 [0,2,0,0,0,0|1,1,0]=4 9239 B12R1.30 CSCCC(=O)c1ccccc1 62a_200000210301_100000750707 [0,2,0,0,0,0|1,1,0]=4 9240 B12R1.30 CSCCN(C)c1ccccc1 2230a_100000210012_100000751147 [0,2,0,0,0,0|1,1,0]=4 9241 B12R1.30 CSCCN(C)c1ccccc1 269982a_100000210012_100000212216 [0,2,0,0,0,0|1,1,0]=4 9242 B12R1.30 CSCCN(C)c1ccccc1 34a_100000210012_100000212216 [0,2,0,0,0,0|1,1,0]=4 9243 B12R1.30 CSCCS(=O)c1ccccc1 62a_200000210301_100000740319 [0,2,0,0,0,0|0,2,0]=4 9244 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_100000729684_200000210301 [0,2,0,0,0,0|1,1,0]=4 9245 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_200000210301_100000729684 [0,2,0,0,0,0|1,1,0]=4 9246 B12R1.30 CSCOC(=O)c1ccccc1 62a_100000073877_200000210301 [0,2,0,0,0,0|2,0,0]=4 9247 B12R1.30 CSCOC(=O)c1ccccc1 62a_200000210301_100000073877 [0,2,0,0,0,0|2,0,0]=4 9248 B12R1.30 CSCO[C@H](C)c1ccccc1 34a_100000761318_100011218213 [0,2,0,0,0,0|2,0,0]=4 9249 B12R1.30 C[C@@H](NCCF)c1ccccc1 2230a_100000751104_100011217306 [0,2,0,0,0,0|2,0,0]=4 9250 B12R1.30 C[C@@H](NCCO)c1ccccc1 2230a_100000751104_100000211926 [0,2,0,0,0,0|1,0,0]=3 9251 B12R1.30 C[C@@H](OCC#N)c1ccccc1 7a_100000761318_100011215382 [0,2,0,0,0,0|1,0,1]=4 9252 B12R1.30 C[C@@H](OCC=O)c1ccccc1 34a_100000761318_200009817547 [0,2,0,0,0,0|0,0,2]=4 9253 B12R1.30 C[C@@H](OCC=O)c1ccccc1 7a_100000761318_200015260668 [0,2,0,0,0,0|0,0,2]=4 9254 B12R1.30 C[C@@H](OCCF)c1ccccc1 34a_100000761318_100011217306 [0,2,0,0,0,0|1,0,0]=3 9255 B12R1.30 C[C@@H](OCCF)c1ccccc1 7a_100000761318_100011217306 [0,2,0,0,0,0|1,0,0]=3 9256 B12R1.30 C[C@@H](OCCO)c1ccccc1 34a_100000761318_100000211926 [0,2,0,0,0,0|0,0,0]=2 9257 B12R1.30 C[C@@H](OCCO)c1ccccc1 7a_100000761318_100000211926 [0,2,0,0,0,0|0,0,0]=2 9258 B12R1.30 N#CCCC(=O)c1ccccc1 1458a_100000185807_100011215226 [0,2,0,0,0,0|2,0,0]=4 9259 B12R1.30 N[C@H](COCF)c1ccccc1 34a_100000751927_100015361967 [0,2,0,0,0,0|2,0,0]=4 9260 B12R1.30 O=C(CCCF)c1ccccc1 1458a_100000185807_100011934791 [0,2,0,0,0,0|2,0,0]=4 9261 B12R1.30 O=C(CCCO)c1ccccc1 1458a_100000185807_100011215043 [0,2,0,0,0,0|1,0,0]=3 9262 B12R1.30 O=C(CSCF)c1ccccc1 62a_100000211460_100015361967 [0,2,0,0,0,0|2,0,0]=4 9263 B12R1.30 O=C(CSCF)c1ccccc1 62a_100015361967_100000211460 [0,2,0,0,0,0|2,0,0]=4 9264 B12R1.30 O=C(NCCF)c1ccccc1 11a_100000724931_100000185807 [0,2,0,0,0,0|2,0,0]=4 9265 B12R1.30 O=C(NCCF)c1ccccc1 1626a_100000724931_100000185807 [0,2,0,0,0,0|2,0,0]=4 9266 B12R1.30 O=C(NCCF)c1ccccc1 240690a_100000724931_100000185807 [0,2,0,0,0,0|2,0,0]=4 9267 B12R1.30 O=C(NCCF)c1ccccc1 527a_100000724931_100000185807 [0,2,0,0,0,0|2,0,0]=4 9268 B12R1.30 O=C(NCCO)c1ccccc1 240690a_100000210304_100000185807 [0,2,0,0,0,0|1,0,0]=3 9269 B12R1.30 O=C(NCCO)c1ccccc1 527a_100000210304_100000185807 [0,2,0,0,0,0|1,0,0]=3 9270 B12R1.30 O=S(CSCF)c1ccccc1 62a_100015361967_100000031784 [0,2,0,0,0,0|1,1,0]=4 9271 B12R1.30 OC(CSCF)c1ccccc1 62a_100000185958_100015361967 [0,2,0,0,0,0|2,0,0]=4 9272 B12R1.30 OC(CSCF)c1ccccc1 62a_100015361967_100000185958 [0,2,0,0,0,0|2,0,0]=4 9273 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100011933945_100015361967 [0,2,0,0,0,0|2,0,0]=4 9274 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100015361967_100011933945 [0,2,0,0,0,0|2,0,0]=4 9275 B12R1.30 [13CH3]N(CCC#N)c1ccccc1 2230a_100000183874_200025704644 [0,2,0,0,0,0|2,0,0]=4 9276 B12R1.30 [13CH3]N(CCCO)c1ccccc1 2230a_100000212590_200025704644 [0,2,0,0,0,0|1,0,0]=3 9277 B12R1.30 [13CH3]N(CCCO)c1ccccc1 269982a_100000212590_200025704644 [0,2,0,0,0,0|1,0,0]=3 9278 B12R1.30 [13CH3]N(CCCO)c1ccccc1 34a_100000212590_200025704644 [0,2,0,0,0,0|1,0,0]=3 9279 B12R1.30 [13CH3]NCCC(O)c1ccccc1 2230a_100000763605_200025704644 [0,2,0,0,0,0|2,0,0]=4 9280 B12R1.30 [13CH3]OCC[C@H](N)c1ccccc1 34a_100025705951_200025704644 [0,2,0,0,0,0|1,0,0]=3 9281 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_100000750707_200025704644 [0,2,0,0,0,0|1,1,0]=4 9282 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_200025704644_100000750707 [0,2,0,0,0,0|1,1,0]=4 9283 B12R1.30 [13CH3]SCCS(=O)c1ccccc1 62a_200025704644_100000740319 [0,2,0,0,0,0|0,2,0]=4 9284 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_100000729684_200025704644 [0,2,0,0,0,0|1,1,0]=4 9285 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_200025704644_100000729684 [0,2,0,0,0,0|1,1,0]=4 9286 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_100000073877_200025704644 [0,2,0,0,0,0|2,0,0]=4 9287 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_200025704644_100000073877 [0,2,0,0,0,0|2,0,0]=4 9288 B12R1.34 CC(C(=O)CO)c1ccccc1 1458a_100000210174_100000230085 [0,2,0,0,0,0|1,0,1]=4 9289 B12R1.34 CC(CO)N(C)c1ccccc1 2230a_100000210012_100012180447 [0,2,0,0,0,0|1,0,0]=3 9290 B12R1.34 CC(CO)N(C)c1ccccc1 34a_100000210012_100012180447 [0,2,0,0,0,0|1,0,0]=3 9291 B12R1.34 CCC(C)C(=O)c1ccccc1 1458a_100000185807_100000758301 [0,2,0,0,0,0|2,0,0]=4 9292 B12R1.34 CCC(C)N(C)c1ccccc1 2230a_100000210012_100000758301 [0,2,0,0,0,0|2,0,0]=4 9293 B12R1.34 CCC(C)N(C)c1ccccc1 269982a_100000210012_100000758301 [0,2,0,0,0,0|2,0,0]=4 9294 B12R1.34 CCC(C)N(C)c1ccccc1 34a_100000210012_100011215416 [0,2,0,0,0,0|2,0,0]=4 9295 B12R1.34 CN(C(=O)CO)c1ccccc1 22a_100000210012_100000210174 [0,2,0,0,0,0|1,0,1]=4 9296 B12R1.34 C[C@H](CO)N(C)c1ccccc1 269982a_100000210012_100016084084 [0,2,0,0,0,0|1,0,0]=3 9297 B12R1.107 CC(C)CC(=O)c1ccccc1 1458a_100000185807_100000210624 [0,2,0,0,0,0|2,0,0]=4 9298 B12R1.107 CC(C)CN(C)c1ccccc1 2230a_100000210012_100000210760 [0,2,0,0,0,0|2,0,0]=4 9299 B12R1.107 CC(C)CN(C)c1ccccc1 269982a_100000210012_100000210624 [0,2,0,0,0,0|2,0,0]=4 9300 B12R1.107 CC(C)CN(C)c1ccccc1 34a_100000210012_100000210624 [0,2,0,0,0,0|2,0,0]=4 9301 B12R1.107 CC(C)C[C@H](N)c1ccccc1 271570a_100015190218_100000210277 [0,2,0,0,0,0|2,0,0]=4 9302 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [0,2,0,0,0,0|1,0,0]=3 9303 B12R1.107 CC(O)CN(C)c1ccccc1 2230a_100000210012_100011218427 [0,2,0,0,0,0|1,0,0]=3 9304 B12R1.107 CC(O)CN(C)c1ccccc1 269982a_100000210012_100011218427 [0,2,0,0,0,0|1,0,0]=3 9305 B12R1.107 CC(O)CN(C)c1ccccc1 34a_100000210012_100011218427 [0,2,0,0,0,0|1,0,0]=3 9306 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,2,0,0,0,0|1,0,1]=4 9307 B12R1.107 CN(CC(F)F)c1ccccc1 2230a_100000210012_100011934356 [0,2,0,0,0,0|2,0,0]=4 9308 B12R1.107 CN(CC(F)F)c1ccccc1 269982a_100000210012_100011934356 [0,2,0,0,0,0|2,0,0]=4 9309 B12R1.107 CN(CC(F)F)c1ccccc1 34a_100000210012_100011934356 [0,2,0,0,0,0|2,0,0]=4 9310 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 2230a_100000210012_100009817552 [0,2,0,0,0,0|1,0,0]=3 9311 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 269982a_100000210012_100009817552 [0,2,0,0,0,0|1,0,0]=3 9312 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 34a_100000210012_100009817552 [0,2,0,0,0,0|1,0,0]=3 9313 B12R1.107 O=C(CC(F)F)c1ccccc1 1458a_100000185807_100011934356 [0,2,0,0,0,0|2,0,0]=4 9314 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,2,0,0,0,0|1,0,1]=4 9315 B12R1.308 CCCC(=O)c1ccccc1Br 1458a_100000188424_100000210303 [0,2,0,0,0,0|2,0,0]=4 9316 B12R1.308 CCCC(=O)c1ccccc1C 1458a_100000212026_100000210303 [0,2,0,0,0,0|2,0,0]=4 9317 B12R1.308 CCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210303 [0,2,0,0,0,0|2,0,0]=4 9318 B12R1.308 CCCC(=O)c1ccccc1F 1458a_100000188656_100000210303 [0,2,0,0,0,0|2,0,0]=4 9319 B12R1.308 CCCC(=O)c1ccccc1I 1458a_100000187884_100000210303 [0,2,0,0,0,0|2,0,0]=4 9320 B12R1.308 CCCC(=O)c1ccccc1O 1458a_100015234032_100000210303 [0,2,0,0,0,0|2,0,0]=4 9321 B12R1.308 CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210303 [0,2,0,0,0,0|2,0,0]=4 9322 B12R1.308 CCCN(C)c1ccccc1Br 2230a_100020606079_100000210303 [0,2,0,0,0,0|2,0,0]=4 9323 B12R1.308 CCCN(C)c1ccccc1Br 269982a_100020606079_100000210303 [0,2,0,0,0,0|2,0,0]=4 9324 B12R1.308 CCCN(C)c1ccccc1Br 34a_100020606079_100000210303 [0,2,0,0,0,0|2,0,0]=4 9325 B12R1.308 CCCN(C)c1ccccc1C 2230a_100000219699_100000210303 [0,2,0,0,0,0|2,0,0]=4 9326 B12R1.308 CCCN(C)c1ccccc1C 269982a_100000219699_100000210303 [0,2,0,0,0,0|2,0,0]=4 9327 B12R1.308 CCCN(C)c1ccccc1C 34a_100000219699_100000210303 [0,2,0,0,0,0|2,0,0]=4 9328 B12R1.308 CCCN(C)c1ccccc1Cl 2230a_100000219374_100000210303 [0,2,0,0,0,0|2,0,0]=4 9329 B12R1.308 CCCN(C)c1ccccc1Cl 269982a_100000219374_100000210303 [0,2,0,0,0,0|2,0,0]=4 9330 B12R1.308 CCCN(C)c1ccccc1Cl 34a_100000219374_100000210303 [0,2,0,0,0,0|2,0,0]=4 9331 B12R1.308 CCCN(C)c1ccccc1F 2230a_100000220357_100000210303 [0,2,0,0,0,0|2,0,0]=4 9332 B12R1.308 CCCN(C)c1ccccc1F 2230a_100011231789_200000210301 [0,2,0,0,0,0|2,0,0]=4 9333 B12R1.308 CCCN(C)c1ccccc1F 269982a_100000220357_100000210303 [0,2,0,0,0,0|2,0,0]=4 9334 B12R1.308 CCCN(C)c1ccccc1F 269982a_100011231789_200000210301 [0,2,0,0,0,0|2,0,0]=4 9335 B12R1.308 CCCN(C)c1ccccc1F 34a_100000220357_100000210303 [0,2,0,0,0,0|2,0,0]=4 9336 B12R1.308 CCCN(C)c1ccccc1F 34a_100011231789_200000210301 [0,2,0,0,0,0|2,0,0]=4 9337 B12R1.308 CCCN(C)c1ccccc1F 38a_100000220357_100000210303 [0,2,0,0,0,0|2,0,0]=4 9338 B12R1.308 CCCN(C)c1ccccc1O 269982a_100000033821_100000210303 [0,2,0,0,0,0|2,0,0]=4 9339 B12R1.308 CCCN([13CH3])c1ccccc1F 2230a_100011231789_200025704644 [0,2,0,0,0,0|2,0,0]=4 9340 B12R1.308 CCCN([13CH3])c1ccccc1F 269982a_100011231789_200025704644 [0,2,0,0,0,0|2,0,0]=4 9341 B12R1.308 CCCN([13CH3])c1ccccc1F 34a_100011231789_200025704644 [0,2,0,0,0,0|2,0,0]=4 9342 B12R1.308 CN(CCF)c1ccccc1Br 2230a_100020606079_100011217306 [0,2,0,0,0,0|2,0,0]=4 9343 B12R1.308 CN(CCF)c1ccccc1Br 269982a_100020606079_100011217306 [0,2,0,0,0,0|2,0,0]=4 9344 B12R1.308 CN(CCF)c1ccccc1Br 34a_100020606079_100011217306 [0,2,0,0,0,0|2,0,0]=4 9345 B12R1.308 CN(CCF)c1ccccc1Cl 2230a_100000219374_100011217306 [0,2,0,0,0,0|2,0,0]=4 9346 B12R1.308 CN(CCF)c1ccccc1Cl 269982a_100000219374_100011217306 [0,2,0,0,0,0|2,0,0]=4 9347 B12R1.308 CN(CCF)c1ccccc1Cl 34a_100000219374_100011217306 [0,2,0,0,0,0|2,0,0]=4 9348 B12R1.308 CN(CCF)c1ccccc1F 2230a_100000220357_100011217306 [0,2,0,0,0,0|2,0,0]=4 9349 B12R1.308 CN(CCF)c1ccccc1F 269982a_100000220357_100011217306 [0,2,0,0,0,0|2,0,0]=4 9350 B12R1.308 CN(CCF)c1ccccc1F 34a_100000220357_100011217306 [0,2,0,0,0,0|2,0,0]=4 9351 B12R1.308 CN(CCF)c1ccccc1F 38a_100000220357_100011217306 [0,2,0,0,0,0|2,0,0]=4 9352 B12R1.308 CN(CCF)c1ccccc1O 269982a_100000033821_100011217306 [0,2,0,0,0,0|2,0,0]=4 9353 B12R1.308 CN(CCO)c1ccccc1Br 2230a_100020606079_100000211926 [0,2,0,0,0,0|1,0,0]=3 9354 B12R1.308 CN(CCO)c1ccccc1Br 269982a_100020606079_100000211926 [0,2,0,0,0,0|1,0,0]=3 9355 B12R1.308 CN(CCO)c1ccccc1Br 34a_100020606079_100000211926 [0,2,0,0,0,0|1,0,0]=3 9356 B12R1.308 CN(CCO)c1ccccc1Cl 2230a_100000219374_100000211926 [0,2,0,0,0,0|1,0,0]=3 9357 B12R1.308 CN(CCO)c1ccccc1Cl 269982a_100000219374_100000211926 [0,2,0,0,0,0|1,0,0]=3 9358 B12R1.308 CN(CCO)c1ccccc1Cl 34a_100000219374_100000211926 [0,2,0,0,0,0|1,0,0]=3 9359 B12R1.308 CN(CCO)c1ccccc1F 2230a_100000220357_100000211926 [0,2,0,0,0,0|1,0,0]=3 9360 B12R1.308 CN(CCO)c1ccccc1F 269982a_100000220357_100000211926 [0,2,0,0,0,0|1,0,0]=3 9361 B12R1.308 CN(CCO)c1ccccc1F 34a_100000220357_100000211926 [0,2,0,0,0,0|1,0,0]=3 9362 B12R1.308 CN(CCO)c1ccccc1F 38a_100000220357_100000211926 [0,2,0,0,0,0|1,0,0]=3 9363 B12R1.308 CN(CCO)c1ccccc1O 269982a_100000033821_100000211926 [0,2,0,0,0,0|1,0,0]=3 9364 B12R1.308 CN(CCO)c1ccncc1Br 27a_100000210263_100000726257 [0,2,0,0,0,0|2,0,0]=4 9365 B12R1.308 CN(CCO)c1ccncc1F 27a_100000210263_100000035921 [0,2,0,0,0,0|2,0,0]=4 9366 B12R1.308 CN(CCO)c1ncccc1Br 27a_100000210263_100000696092 [0,2,0,0,0,0|2,0,0]=4 9367 B12R1.308 Cc1ccccc1C(=O)CCF 1458a_100000212026_100011217306 [0,2,0,0,0,0|2,0,0]=4 9368 B12R1.308 Cc1ccccc1C(=O)CCO 1458a_100000212026_100000211926 [0,2,0,0,0,0|1,0,0]=3 9369 B12R1.308 Cc1ccccc1N(C)CCF 2230a_100000219699_100011217306 [0,2,0,0,0,0|2,0,0]=4 9370 B12R1.308 Cc1ccccc1N(C)CCF 269982a_100000219699_100011217306 [0,2,0,0,0,0|2,0,0]=4 9371 B12R1.308 Cc1ccccc1N(C)CCF 34a_100000219699_100011217306 [0,2,0,0,0,0|2,0,0]=4 9372 B12R1.308 Cc1ccccc1N(C)CCO 2230a_100000219699_100000211926 [0,2,0,0,0,0|1,0,0]=3 9373 B12R1.308 Cc1ccccc1N(C)CCO 269982a_100000219699_100000211926 [0,2,0,0,0,0|1,0,0]=3 9374 B12R1.308 Cc1ccccc1N(C)CCO 269982a_100011233185_200000210301 [0,2,0,0,0,0|1,0,0]=3 9375 B12R1.308 Cc1ccccc1N(C)CCO 34a_100000219699_100000211926 [0,2,0,0,0,0|1,0,0]=3 9376 B12R1.308 Cc1ccccc1N(C)CCO 34a_100011233185_200000210301 [0,2,0,0,0,0|1,0,0]=3 9377 B12R1.308 Cc1ccccc1N([13CH3])CCO 269982a_100011233185_200025704644 [0,2,0,0,0,0|1,0,0]=3 9378 B12R1.308 Cc1ccccc1N([13CH3])CCO 34a_100011233185_200025704644 [0,2,0,0,0,0|1,0,0]=3 9379 B12R1.308 Cc1cnccc1N(C)CCO 27a_100000210263_100000765111 [0,2,0,0,0,0|2,0,0]=4 9380 B12R1.308 O=C(CCF)c1ccccc1Br 1458a_100000188424_100011217306 [0,2,0,0,0,0|2,0,0]=4 9381 B12R1.308 O=C(CCF)c1ccccc1Cl 1458a_100000185844_100011217306 [0,2,0,0,0,0|2,0,0]=4 9382 B12R1.308 O=C(CCF)c1ccccc1F 1458a_100000188656_100011217306 [0,2,0,0,0,0|2,0,0]=4 9383 B12R1.308 O=C(CCF)c1ccccc1I 1458a_100000187884_100011217306 [0,2,0,0,0,0|2,0,0]=4 9384 B12R1.308 O=C(CCF)c1ccccc1O 1458a_100015234032_100011217306 [0,2,0,0,0,0|2,0,0]=4 9385 B12R1.308 O=C(CCF)c1ccccc1[O-] 1458a_100009911694_100011217306 [0,2,0,0,0,0|2,0,0]=4 9386 B12R1.308 O=C(CCO)c1ccccc1Br 1458a_100000188424_100000211926 [0,2,0,0,0,0|1,0,0]=3 9387 B12R1.308 O=C(CCO)c1ccccc1Cl 1458a_100000185844_100000211926 [0,2,0,0,0,0|1,0,0]=3 9388 B12R1.308 O=C(CCO)c1ccccc1F 1458a_100000188656_100000211926 [0,2,0,0,0,0|1,0,0]=3 9389 B12R1.308 O=C(CCO)c1ccccc1I 1458a_100000187884_100000211926 [0,2,0,0,0,0|1,0,0]=3 9390 B12R1.308 O=C(CCO)c1ccccc1O 1458a_100015234032_100000211926 [0,2,0,0,0,0|1,0,0]=3 9391 B12R1.308 O=C(CCO)c1ccccc1[O-] 1458a_100009911694_100000211926 [0,2,0,0,0,0|1,0,0]=3 9392 B12R1.25 C#CCOc1cccc(c1Br)Br 34a_100010187966_100000184674 [0,2,0,0,0,0|1,0,1]=4 9393 B12R1.25 C#CCOc1cccc(c1Br)Br 7a_100010187966_100000038162 [0,2,0,0,0,0|1,0,1]=4 9394 B12R1.25 C#CCOc1cccc(c1Br)C 34a_100000686692_100000184674 [0,2,0,0,0,0|1,0,1]=4 9395 B12R1.25 C#CCOc1cccc(c1Br)C 7a_100000686692_100000038162 [0,2,0,0,0,0|1,0,1]=4 9396 B12R1.25 C#CCOc1cccc(c1Br)Cl 34a_100012348804_100000184674 [0,2,0,0,0,0|1,0,1]=4 9397 B12R1.25 C#CCOc1cccc(c1Br)Cl 7a_100012348804_100000038162 [0,2,0,0,0,0|1,0,1]=4 9398 B12R1.25 C#CCOc1cccc(c1Br)F 34a_100009820682_100000184674 [0,2,0,0,0,0|1,0,1]=4 9399 B12R1.25 C#CCOc1cccc(c1Br)F 7a_100009820682_100000038162 [0,2,0,0,0,0|1,0,1]=4 9400 B12R1.25 C#CCOc1cccc(c1Br)I 34a_100010187914_100000184674 [0,2,0,0,0,0|1,0,1]=4 9401 B12R1.25 C#CCOc1cccc(c1Br)I 7a_100010187914_100000038162 [0,2,0,0,0,0|1,0,1]=4 9402 B12R1.25 C#CCOc1cccc(c1Br)N 34a_100012183704_100000184674 [0,2,0,0,0,0|1,0,1]=4 9403 B12R1.25 C#CCOc1cccc(c1Br)N 7a_100012183704_100000038162 [0,2,0,0,0,0|1,0,1]=4 9404 B12R1.25 C#CCOc1cccc(c1C)Br 34a_100012002258_100000184674 [0,2,0,0,0,0|1,0,1]=4 9405 B12R1.25 C#CCOc1cccc(c1C)Br 7a_100012002258_100000038162 [0,2,0,0,0,0|1,0,1]=4 9406 B12R1.25 C#CCOc1cccc(c1C)C 34a_100000185855_100000184674 [0,2,0,0,0,0|1,0,1]=4 9407 B12R1.25 C#CCOc1cccc(c1C)C 7a_100000185855_100000038162 [0,2,0,0,0,0|1,0,1]=4 9408 B12R1.25 C#CCOc1cccc(c1C)Cl 34a_100011265684_100000184674 [0,2,0,0,0,0|1,0,1]=4 9409 B12R1.25 C#CCOc1cccc(c1C)Cl 7a_100011265684_100000038162 [0,2,0,0,0,0|1,0,1]=4 9410 B12R1.25 C#CCOc1cccc(c1C)F 34a_100011217231_100000184674 [0,2,0,0,0,0|1,0,1]=4 9411 B12R1.25 C#CCOc1cccc(c1C)F 7a_100011217231_100000038162 [0,2,0,0,0,0|1,0,1]=4 9412 B12R1.25 C#CCOc1cccc(c1C)N 34a_100011216573_100000184674 [0,2,0,0,0,0|1,0,1]=4 9413 B12R1.25 C#CCOc1cccc(c1C)N 7a_100011216573_100000038162 [0,2,0,0,0,0|1,0,1]=4 9414 B12R1.25 C#CCOc1cccc(c1Cl)Br 34a_100010187913_100000184674 [0,2,0,0,0,0|1,0,1]=4 9415 B12R1.25 C#CCOc1cccc(c1Cl)Br 7a_100010187913_100000038162 [0,2,0,0,0,0|1,0,1]=4 9416 B12R1.25 C#CCOc1cccc(c1Cl)C 34a_100000695629_100000184674 [0,2,0,0,0,0|1,0,1]=4 9417 B12R1.25 C#CCOc1cccc(c1Cl)C 7a_100000695629_100000038162 [0,2,0,0,0,0|1,0,1]=4 9418 B12R1.25 C#CCOc1cccc(c1Cl)Cl 34a_100000211076_100000184674 [0,2,0,0,0,0|1,0,1]=4 9419 B12R1.25 C#CCOc1cccc(c1Cl)Cl 7a_100000211076_100000038162 [0,2,0,0,0,0|1,0,1]=4 9420 B12R1.25 C#CCOc1cccc(c1Cl)F 34a_100000087408_100000184674 [0,2,0,0,0,0|1,0,1]=4 9421 B12R1.25 C#CCOc1cccc(c1Cl)F 7a_100000087408_100000038162 [0,2,0,0,0,0|1,0,1]=4 9422 B12R1.25 C#CCOc1cccc(c1Cl)I 34a_100000049636_100000184674 [0,2,0,0,0,0|1,0,1]=4 9423 B12R1.25 C#CCOc1cccc(c1Cl)I 7a_100000049636_100000038162 [0,2,0,0,0,0|1,0,1]=4 9424 B12R1.25 C#CCOc1cccc(c1Cl)N 34a_100012002038_100000184674 [0,2,0,0,0,0|1,0,1]=4 9425 B12R1.25 C#CCOc1cccc(c1Cl)N 7a_100012002038_100000038162 [0,2,0,0,0,0|1,0,1]=4 9426 B12R1.25 C#CCOc1cccc(c1F)Br 34a_100009817021_100000184674 [0,2,0,0,0,0|1,0,1]=4 9427 B12R1.25 C#CCOc1cccc(c1F)Br 7a_100009817021_100000038162 [0,2,0,0,0,0|1,0,1]=4 9428 B12R1.25 C#CCOc1cccc(c1F)C 34a_100000751311_100000184674 [0,2,0,0,0,0|1,0,1]=4 9429 B12R1.25 C#CCOc1cccc(c1F)C 7a_100000751311_100000038162 [0,2,0,0,0,0|1,0,1]=4 9430 B12R1.25 C#CCOc1cccc(c1F)Cl 34a_100000687438_100000184674 [0,2,0,0,0,0|1,0,1]=4 9431 B12R1.25 C#CCOc1cccc(c1F)Cl 7a_100000687438_100000038162 [0,2,0,0,0,0|1,0,1]=4 9432 B12R1.25 C#CCOc1cccc(c1F)F 34a_100000751161_100000184674 [0,2,0,0,0,0|1,0,1]=4 9433 B12R1.25 C#CCOc1cccc(c1F)F 7a_100000751161_100000038162 [0,2,0,0,0,0|1,0,1]=4 9434 B12R1.25 C#CCOc1cccc(c1I)Br 34a_100010187912_100000184674 [0,2,0,0,0,0|1,0,1]=4 9435 B12R1.25 C#CCOc1cccc(c1I)Br 7a_100010187912_100000038162 [0,2,0,0,0,0|1,0,1]=4 9436 B12R1.25 C#CCOc1cccc(c1I)C 34a_100010083724_100000184674 [0,2,0,0,0,0|1,0,1]=4 9437 B12R1.25 C#CCOc1cccc(c1I)C 7a_100010083724_100000038162 [0,2,0,0,0,0|1,0,1]=4 9438 B12R1.25 C#CCOc1cccc(c1I)Cl 34a_100000050174_100000184674 [0,2,0,0,0,0|1,0,1]=4 9439 B12R1.25 C#CCOc1cccc(c1I)Cl 7a_100000050174_100000038162 [0,2,0,0,0,0|1,0,1]=4 9440 B12R1.25 C#CCOc1cccc(c1I)F 34a_100000690913_100000184674 [0,2,0,0,0,0|1,0,1]=4 9441 B12R1.25 C#CCOc1cccc(c1I)F 7a_100000690913_100000038162 [0,2,0,0,0,0|1,0,1]=4 9442 B12R1.25 C#CCOc1cccc(c1N)Br 34a_100011934926_100000184674 [0,2,0,0,0,0|1,0,1]=4 9443 B12R1.25 C#CCOc1cccc(c1N)Br 7a_100011934926_100000038162 [0,2,0,0,0,0|1,0,1]=4 9444 B12R1.25 C#CCOc1cccc(c1N)C 34a_100000743429_100000184674 [0,2,0,0,0,0|1,0,1]=4 9445 B12R1.25 C#CCOc1cccc(c1N)C 7a_100000743429_100000038162 [0,2,0,0,0,0|1,0,1]=4 9446 B12R1.25 C#CCOc1cccc(c1N)Cl 34a_100012022510_100000184674 [0,2,0,0,0,0|1,0,1]=4 9447 B12R1.25 C#CCOc1cccc(c1N)Cl 7a_100012022510_100000038162 [0,2,0,0,0,0|1,0,1]=4 9448 B12R1.25 C#CCOc1cccc(c1N)F 34a_100020591140_100000184674 [0,2,0,0,0,0|1,0,1]=4 9449 B12R1.25 C#CCOc1cccc(c1N)F 7a_100020591140_100000038162 [0,2,0,0,0,0|1,0,1]=4 9450 B12R1.25 C#CCOc1cccc(c1N)I 34a_200000049512_100000184674 [0,2,0,0,0,0|1,0,1]=4 9451 B12R1.25 C#CCOc1cccc(c1N)I 7a_200000049512_100000038162 [0,2,0,0,0,0|1,0,1]=4 9452 B12R1.25 C#CCOc1cccc(c1N)N 34a_100000033209_100000184674 [0,2,0,0,0,0|1,0,1]=4 9453 B12R1.25 C=CCOc1cccc(c1Br)Br 34a_100010187966_100015514636 [0,2,0,0,0,0|1,0,1]=4 9454 B12R1.25 C=CCOc1cccc(c1Br)Br 7a_100010187966_100015514636 [0,2,0,0,0,0|1,0,1]=4 9455 B12R1.25 C=CCOc1cccc(c1Br)C 34a_100000686692_100015514636 [0,2,0,0,0,0|1,0,1]=4 9456 B12R1.25 C=CCOc1cccc(c1Br)C 7a_100000686692_100015514636 [0,2,0,0,0,0|1,0,1]=4 9457 B12R1.25 C=CCOc1cccc(c1Br)Cl 34a_100012348804_100015514636 [0,2,0,0,0,0|1,0,1]=4 9458 B12R1.25 C=CCOc1cccc(c1Br)Cl 7a_100012348804_100015514636 [0,2,0,0,0,0|1,0,1]=4 9459 B12R1.25 C=CCOc1cccc(c1Br)F 34a_100009820682_100015514636 [0,2,0,0,0,0|1,0,1]=4 9460 B12R1.25 C=CCOc1cccc(c1Br)F 7a_100009820682_100015514636 [0,2,0,0,0,0|1,0,1]=4 9461 B12R1.25 C=CCOc1cccc(c1Br)I 34a_100010187914_100015514636 [0,2,0,0,0,0|1,0,1]=4 9462 B12R1.25 C=CCOc1cccc(c1Br)I 7a_100010187914_100015514636 [0,2,0,0,0,0|1,0,1]=4 9463 B12R1.25 C=CCOc1cccc(c1Br)N 34a_100012183704_100015514636 [0,2,0,0,0,0|1,0,1]=4 9464 B12R1.25 C=CCOc1cccc(c1Br)N 7a_100012183704_100015514636 [0,2,0,0,0,0|1,0,1]=4 9465 B12R1.25 C=CCOc1cccc(c1C)Br 34a_100012002258_100015514636 [0,2,0,0,0,0|1,0,1]=4 9466 B12R1.25 C=CCOc1cccc(c1C)Br 7a_100012002258_100015514636 [0,2,0,0,0,0|1,0,1]=4 9467 B12R1.25 C=CCOc1cccc(c1C)C 34a_100000185855_100015514636 [0,2,0,0,0,0|1,0,1]=4 9468 B12R1.25 C=CCOc1cccc(c1C)C 7a_100000185855_100015514636 [0,2,0,0,0,0|1,0,1]=4 9469 B12R1.25 C=CCOc1cccc(c1C)Cl 34a_100011265684_100015514636 [0,2,0,0,0,0|1,0,1]=4 9470 B12R1.25 C=CCOc1cccc(c1C)Cl 7a_100011265684_100015514636 [0,2,0,0,0,0|1,0,1]=4 9471 B12R1.25 C=CCOc1cccc(c1C)F 34a_100011217231_100015514636 [0,2,0,0,0,0|1,0,1]=4 9472 B12R1.25 C=CCOc1cccc(c1C)F 7a_100011217231_100015514636 [0,2,0,0,0,0|1,0,1]=4 9473 B12R1.25 C=CCOc1cccc(c1C)N 34a_100011216573_100015514636 [0,2,0,0,0,0|1,0,1]=4 9474 B12R1.25 C=CCOc1cccc(c1C)N 7a_100011216573_100015514636 [0,2,0,0,0,0|1,0,1]=4 9475 B12R1.25 C=CCOc1cccc(c1Cl)Br 34a_100010187913_100015514636 [0,2,0,0,0,0|1,0,1]=4 9476 B12R1.25 C=CCOc1cccc(c1Cl)Br 7a_100010187913_100015514636 [0,2,0,0,0,0|1,0,1]=4 9477 B12R1.25 C=CCOc1cccc(c1Cl)C 34a_100000695629_100015514636 [0,2,0,0,0,0|1,0,1]=4 9478 B12R1.25 C=CCOc1cccc(c1Cl)C 7a_100000695629_100015514636 [0,2,0,0,0,0|1,0,1]=4 9479 B12R1.25 C=CCOc1cccc(c1Cl)Cl 34a_100000211076_100015514636 [0,2,0,0,0,0|1,0,1]=4 9480 B12R1.25 C=CCOc1cccc(c1Cl)Cl 7a_100000211076_100015514636 [0,2,0,0,0,0|1,0,1]=4 9481 B12R1.25 C=CCOc1cccc(c1Cl)F 34a_100000087408_100015514636 [0,2,0,0,0,0|1,0,1]=4 9482 B12R1.25 C=CCOc1cccc(c1Cl)F 7a_100000087408_100015514636 [0,2,0,0,0,0|1,0,1]=4 9483 B12R1.25 C=CCOc1cccc(c1Cl)I 34a_100000049636_100015514636 [0,2,0,0,0,0|1,0,1]=4 9484 B12R1.25 C=CCOc1cccc(c1Cl)I 7a_100000049636_100015514636 [0,2,0,0,0,0|1,0,1]=4 9485 B12R1.25 C=CCOc1cccc(c1Cl)N 34a_100012002038_100015514636 [0,2,0,0,0,0|1,0,1]=4 9486 B12R1.25 C=CCOc1cccc(c1Cl)N 7a_100012002038_100015514636 [0,2,0,0,0,0|1,0,1]=4 9487 B12R1.25 C=CCOc1cccc(c1F)Br 34a_100009817021_100015514636 [0,2,0,0,0,0|1,0,1]=4 9488 B12R1.25 C=CCOc1cccc(c1F)Br 7a_100009817021_100015514636 [0,2,0,0,0,0|1,0,1]=4 9489 B12R1.25 C=CCOc1cccc(c1F)C 34a_100000751311_100015514636 [0,2,0,0,0,0|1,0,1]=4 9490 B12R1.25 C=CCOc1cccc(c1F)C 7a_100000751311_100015514636 [0,2,0,0,0,0|1,0,1]=4 9491 B12R1.25 C=CCOc1cccc(c1F)Cl 34a_100000687438_100015514636 [0,2,0,0,0,0|1,0,1]=4 9492 B12R1.25 C=CCOc1cccc(c1F)Cl 7a_100000687438_100015514636 [0,2,0,0,0,0|1,0,1]=4 9493 B12R1.25 C=CCOc1cccc(c1F)F 34a_100000751161_100015514636 [0,2,0,0,0,0|1,0,1]=4 9494 B12R1.25 C=CCOc1cccc(c1F)F 7a_100000751161_100015514636 [0,2,0,0,0,0|1,0,1]=4 9495 B12R1.25 C=CCOc1cccc(c1I)Br 34a_100010187912_100015514636 [0,2,0,0,0,0|1,0,1]=4 9496 B12R1.25 C=CCOc1cccc(c1I)Br 7a_100010187912_100015514636 [0,2,0,0,0,0|1,0,1]=4 9497 B12R1.25 C=CCOc1cccc(c1I)C 34a_100010083724_100015514636 [0,2,0,0,0,0|1,0,1]=4 9498 B12R1.25 C=CCOc1cccc(c1I)C 7a_100010083724_100015514636 [0,2,0,0,0,0|1,0,1]=4 9499 B12R1.25 C=CCOc1cccc(c1I)Cl 34a_100000050174_100015514636 [0,2,0,0,0,0|1,0,1]=4 9500 B12R1.25 C=CCOc1cccc(c1I)Cl 7a_100000050174_100015514636 [0,2,0,0,0,0|1,0,1]=4 9501 B12R1.25 C=CCOc1cccc(c1I)F 34a_100000690913_100015514636 [0,2,0,0,0,0|1,0,1]=4 9502 B12R1.25 C=CCOc1cccc(c1I)F 7a_100000690913_100015514636 [0,2,0,0,0,0|1,0,1]=4 9503 B12R1.25 C=CCOc1cccc(c1N)Br 34a_100011934926_100015514636 [0,2,0,0,0,0|1,0,1]=4 9504 B12R1.25 C=CCOc1cccc(c1N)Br 7a_100011934926_100015514636 [0,2,0,0,0,0|1,0,1]=4 9505 B12R1.25 C=CCOc1cccc(c1N)C 34a_100000743429_100015514636 [0,2,0,0,0,0|1,0,1]=4 9506 B12R1.25 C=CCOc1cccc(c1N)C 7a_100000743429_100015514636 [0,2,0,0,0,0|1,0,1]=4 9507 B12R1.25 C=CCOc1cccc(c1N)Cl 34a_100012022510_100015514636 [0,2,0,0,0,0|1,0,1]=4 9508 B12R1.25 C=CCOc1cccc(c1N)Cl 7a_100012022510_100015514636 [0,2,0,0,0,0|1,0,1]=4 9509 B12R1.25 C=CCOc1cccc(c1N)F 34a_100020591140_100015514636 [0,2,0,0,0,0|1,0,1]=4 9510 B12R1.25 C=CCOc1cccc(c1N)F 7a_100020591140_100015514636 [0,2,0,0,0,0|1,0,1]=4 9511 B12R1.25 C=CCOc1cccc(c1N)I 34a_200000049512_100015514636 [0,2,0,0,0,0|1,0,1]=4 9512 B12R1.25 C=CCOc1cccc(c1N)I 7a_200000049512_100015514636 [0,2,0,0,0,0|1,0,1]=4 9513 B12R1.25 C=CCOc1cccc(c1N)N 34a_100000033209_100015514636 [0,2,0,0,0,0|1,0,1]=4 9514 B12R1.25 CCCCc1cccc(c1Br)O 271570a_100020621405_100010187914 [0,2,0,0,0,0|2,0,0]=4 9515 B12R1.25 CCCCc1cccc(c1C)Br 271570a_100020621405_100012353703 [0,2,0,0,0,0|2,0,0]=4 9516 B12R1.25 CCCCc1cccc(c1C)C 271570a_100020621405_100011214922 [0,2,0,0,0,0|2,0,0]=4 9517 B12R1.25 CCCCc1cccc(c1C)Cl 271570a_100020621405_100000726075 [0,2,0,0,0,0|2,0,0]=4 9518 B12R1.25 CCCCc1cccc(c1C)F 271570a_100020621405_100011216893 [0,2,0,0,0,0|2,0,0]=4 9519 B12R1.25 CCCCc1cccc(c1C)N 271570a_100020621405_100000761887 [0,2,0,0,0,0|2,0,0]=4 9520 B12R1.25 CCCCc1cccc(c1C)O 271570a_100020621405_100012002258 [0,2,0,0,0,0|2,0,0]=4 9521 B12R1.25 CCCCc1cccc(c1Cl)Br 271570a_100020621405_100010142854 [0,2,0,0,0,0|2,0,0]=4 9522 B12R1.25 CCCCc1cccc(c1Cl)C 271570a_100020621405_200012352035 [0,2,0,0,0,0|2,0,0]=4 9523 B12R1.25 CCCCc1cccc(c1Cl)Cl 271570a_100020621405_100011215384 [0,2,0,0,0,0|2,0,0]=4 9524 B12R1.25 CCCCc1cccc(c1Cl)F 271570a_100020621405_200010234923 [0,2,0,0,0,0|2,0,0]=4 9525 B12R1.25 CCCCc1cccc(c1Cl)O 271570a_100020621405_100000049636 [0,2,0,0,0,0|2,0,0]=4 9526 B12R1.25 CCCCc1cccc(c1F)Br 271570a_100020621405_100000702267 [0,2,0,0,0,0|2,0,0]=4 9527 B12R1.25 CCCCc1cccc(c1F)C 271570a_100020621405_100000717567 [0,2,0,0,0,0|2,0,0]=4 9528 B12R1.25 CCCCc1cccc(c1F)Cl 271570a_100020621405_100011217346 [0,2,0,0,0,0|2,0,0]=4 9529 B12R1.25 CCCCc1cccc(c1F)F 271570a_100020621405_100000694657 [0,2,0,0,0,0|2,0,0]=4 9530 B12R1.25 CCCCc1cccc(c1F)N 271570a_100020621405_100011935091 [0,2,0,0,0,0|2,0,0]=4 9531 B12R1.25 CCCCc1cccc(c1F)O 271570a_100020621405_100009817021 [0,2,0,0,0,0|2,0,0]=4 9532 B12R1.25 CCCCc1cccc(c1N)Br 271570a_100020621405_100010146558 [0,2,0,0,0,0|2,0,0]=4 9533 B12R1.25 CCCCc1cccc(c1N)C 271570a_100020621405_100011834072 [0,2,0,0,0,0|2,0,0]=4 9534 B12R1.25 CCCCc1cccc(c1N)Cl 271570a_100020621405_100010190421 [0,2,0,0,0,0|2,0,0]=4 9535 B12R1.25 CCCCc1cccc(c1N)F 271570a_100020621405_100000042321 [0,2,0,0,0,0|2,0,0]=4 9536 B12R1.25 CCCCc1cccc(c1N)N 271570a_100020621405_100015191791 [0,2,0,0,0,0|2,0,0]=4 9537 B12R1.25 CCCCc1cccc(c1N)O 271570a_100020621405_100011934926 [0,2,0,0,0,0|2,0,0]=4 9538 B12R1.25 CCCCc1cccc(c1O)Br 271570a_100020621405_100010084509 [0,2,0,0,0,0|2,0,0]=4 9539 B12R1.25 CCCCc1cccc(c1O)C 271570a_100020621405_100009817157 [0,2,0,0,0,0|2,0,0]=4 9540 B12R1.25 CCCCc1cccc(c1O)Cl 271570a_100020621405_100010202889 [0,2,0,0,0,0|2,0,0]=4 9541 B12R1.25 CCCCc1cccc(c1O)F 271570a_100020621405_100009813666 [0,2,0,0,0,0|2,0,0]=4 9542 B12R1.25 CCCCc1cccc(c1O)N 271570a_100020621405_100011934915 [0,2,0,0,0,0|2,0,0]=4 9543 B12R1.25 CCCCc1cccc(c1O)O 271570a_100020621405_100009815950 [0,2,0,0,0,0|2,0,0]=4 9544 B12R1.25 CCCNc1cccc(c1Br)C 34a_100000684715_100000210303 [0,2,0,0,0,0|2,0,0]=4 9545 B12R1.25 CCCNc1cccc(c1Br)Cl 34a_100000687072_100000210303 [0,2,0,0,0,0|2,0,0]=4 9546 B12R1.25 CCCNc1cccc(c1Br)F 34a_100011934729_100000210303 [0,2,0,0,0,0|2,0,0]=4 9547 B12R1.25 CCCNc1cccc(c1Br)O 34a_100012183704_100000210303 [0,2,0,0,0,0|2,0,0]=4 9548 B12R1.25 CCCNc1cccc(c1Br)O 7a_100012183704_100000210303 [0,2,0,0,0,0|2,0,0]=4 9549 B12R1.25 CCCNc1cccc(c1C)Br 34a_100000750434_100000210303 [0,2,0,0,0,0|2,0,0]=4 9550 B12R1.25 CCCNc1cccc(c1C)C 2230a_100000210026_100000210303 [0,2,0,0,0,0|2,0,0]=4 9551 B12R1.25 CCCNc1cccc(c1C)C 34a_100000210026_100000210303 [0,2,0,0,0,0|2,0,0]=4 9552 B12R1.25 CCCNc1cccc(c1C)C 7a_100000210026_100000210303 [0,2,0,0,0,0|2,0,0]=4 9553 B12R1.25 CCCNc1cccc(c1C)Cl 2230a_100000210441_100000210303 [0,2,0,0,0,0|2,0,0]=4 9554 B12R1.25 CCCNc1cccc(c1C)Cl 34a_100000210441_100000210303 [0,2,0,0,0,0|2,0,0]=4 9555 B12R1.25 CCCNc1cccc(c1C)Cl 7a_100000210441_100000210303 [0,2,0,0,0,0|2,0,0]=4 9556 B12R1.25 CCCNc1cccc(c1C)F 34a_100000745574_100000210303 [0,2,0,0,0,0|2,0,0]=4 9557 B12R1.25 CCCNc1cccc(c1C)F 7a_100000745574_100000210303 [0,2,0,0,0,0|2,0,0]=4 9558 B12R1.25 CCCNc1cccc(c1C)I 34a_100000761887_100000210303 [0,2,0,0,0,0|2,0,0]=4 9559 B12R1.25 CCCNc1cccc(c1C)O 34a_100011216573_100000210303 [0,2,0,0,0,0|2,0,0]=4 9560 B12R1.25 CCCNc1cccc(c1C)O 7a_100011216573_100000210303 [0,2,0,0,0,0|2,0,0]=4 9561 B12R1.25 CCCNc1cccc(c1Cl)Br 34a_100000687075_100000210303 [0,2,0,0,0,0|2,0,0]=4 9562 B12R1.25 CCCNc1cccc(c1Cl)C 34a_100000765562_100000210303 [0,2,0,0,0,0|2,0,0]=4 9563 B12R1.25 CCCNc1cccc(c1Cl)C 7a_100000765562_100000210303 [0,2,0,0,0,0|2,0,0]=4 9564 B12R1.25 CCCNc1cccc(c1Cl)Cl 34a_100000185733_100000210303 [0,2,0,0,0,0|2,0,0]=4 9565 B12R1.25 CCCNc1cccc(c1Cl)F 34a_100000692321_100000210303 [0,2,0,0,0,0|2,0,0]=4 9566 B12R1.25 CCCNc1cccc(c1Cl)O 34a_100012002038_100000210303 [0,2,0,0,0,0|2,0,0]=4 9567 B12R1.25 CCCNc1cccc(c1Cl)O 7a_100012002038_100000210303 [0,2,0,0,0,0|2,0,0]=4 9568 B12R1.25 CCCNc1cccc(c1F)Br 2230a_100011935091_100000210303 [0,2,0,0,0,0|2,0,0]=4 9569 B12R1.25 CCCNc1cccc(c1F)Br 34a_100011935091_100000210303 [0,2,0,0,0,0|2,0,0]=4 9570 B12R1.25 CCCNc1cccc(c1F)C 2230a_100000697159_100000210303 [0,2,0,0,0,0|2,0,0]=4 9571 B12R1.25 CCCNc1cccc(c1F)C 34a_100000697159_100000210303 [0,2,0,0,0,0|2,0,0]=4 9572 B12R1.25 CCCNc1cccc(c1F)C 7a_100000697159_100000210303 [0,2,0,0,0,0|2,0,0]=4 9573 B12R1.25 CCCNc1cccc(c1F)Cl 2230a_100000199060_100000210303 [0,2,0,0,0,0|2,0,0]=4 9574 B12R1.25 CCCNc1cccc(c1F)Cl 34a_100000199060_100000210303 [0,2,0,0,0,0|2,0,0]=4 9575 B12R1.25 CCCNc1cccc(c1F)F 34a_100000743855_100000210303 [0,2,0,0,0,0|2,0,0]=4 9576 B12R1.25 CCCNc1cccc(c1I)Br 34a_100020590159_100000210303 [0,2,0,0,0,0|2,0,0]=4 9577 B12R1.25 CCCNc1cccc(c1I)C 34a_100000761888_100000210303 [0,2,0,0,0,0|2,0,0]=4 9578 B12R1.25 CCCNc1cccc(c1I)Cl 34a_100000049713_100000210303 [0,2,0,0,0,0|2,0,0]=4 9579 B12R1.25 CCCNc1cccc(c1I)F 34a_100000690935_100000210303 [0,2,0,0,0,0|2,0,0]=4 9580 B12R1.25 CCCNc1cccc(c1O)Br 34a_100011934915_100000210303 [0,2,0,0,0,0|2,0,0]=4 9581 B12R1.25 CCCNc1cccc(c1O)C 34a_100000756359_100000210303 [0,2,0,0,0,0|2,0,0]=4 9582 B12R1.25 CCCNc1cccc(c1O)Cl 34a_100000754742_100000210303 [0,2,0,0,0,0|2,0,0]=4 9583 B12R1.25 CCCNc1cccc(c1O)F 34a_100011934987_100000210303 [0,2,0,0,0,0|2,0,0]=4 9584 B12R1.25 CCCOc1cccc(c1Br)Br 34a_100010187966_100000210303 [0,2,0,0,0,0|1,0,0]=3 9585 B12R1.25 CCCOc1cccc(c1Br)Br 7a_100010187966_100000210303 [0,2,0,0,0,0|1,0,0]=3 9586 B12R1.25 CCCOc1cccc(c1Br)C 34a_100000686692_100000210303 [0,2,0,0,0,0|1,0,0]=3 9587 B12R1.25 CCCOc1cccc(c1Br)C 7a_100000686692_100000210303 [0,2,0,0,0,0|1,0,0]=3 9588 B12R1.25 CCCOc1cccc(c1Br)Cl 34a_100012348804_100000210303 [0,2,0,0,0,0|1,0,0]=3 9589 B12R1.25 CCCOc1cccc(c1Br)Cl 7a_100012348804_100000210303 [0,2,0,0,0,0|1,0,0]=3 9590 B12R1.25 CCCOc1cccc(c1Br)F 34a_100009820682_100000210303 [0,2,0,0,0,0|1,0,0]=3 9591 B12R1.25 CCCOc1cccc(c1Br)F 7a_100009820682_100000210303 [0,2,0,0,0,0|1,0,0]=3 9592 B12R1.25 CCCOc1cccc(c1Br)I 34a_100010187914_100000210303 [0,2,0,0,0,0|1,0,0]=3 9593 B12R1.25 CCCOc1cccc(c1Br)I 7a_100010187914_100000210303 [0,2,0,0,0,0|1,0,0]=3 9594 B12R1.25 CCCOc1cccc(c1Br)N 34a_100012183704_100000210303 [0,2,0,0,0,0|1,0,0]=3 9595 B12R1.25 CCCOc1cccc(c1Br)N 7a_100012183704_100000210303 [0,2,0,0,0,0|1,0,0]=3 9596 B12R1.25 CCCOc1cccc(c1C)Br 34a_100012002258_100000210303 [0,2,0,0,0,0|1,0,0]=3 9597 B12R1.25 CCCOc1cccc(c1C)Br 7a_100012002258_100000210303 [0,2,0,0,0,0|1,0,0]=3 9598 B12R1.25 CCCOc1cccc(c1C)C 34a_100000185855_100000210303 [0,2,0,0,0,0|1,0,0]=3 9599 B12R1.25 CCCOc1cccc(c1C)C 7a_100000185855_100000210303 [0,2,0,0,0,0|1,0,0]=3 9600 B12R1.25 CCCOc1cccc(c1C)Cl 34a_100011265684_100000210303 [0,2,0,0,0,0|1,0,0]=3 9601 B12R1.25 CCCOc1cccc(c1C)Cl 7a_100011265684_100000210303 [0,2,0,0,0,0|1,0,0]=3 9602 B12R1.25 CCCOc1cccc(c1C)F 34a_100011217231_100000210303 [0,2,0,0,0,0|1,0,0]=3 9603 B12R1.25 CCCOc1cccc(c1C)F 7a_100011217231_100000210303 [0,2,0,0,0,0|1,0,0]=3 9604 B12R1.25 CCCOc1cccc(c1C)N 34a_100011216573_100000210303 [0,2,0,0,0,0|1,0,0]=3 9605 B12R1.25 CCCOc1cccc(c1C)N 7a_100011216573_100000210303 [0,2,0,0,0,0|1,0,0]=3 9606 B12R1.25 CCCOc1cccc(c1Cl)Br 34a_100010187913_100000210303 [0,2,0,0,0,0|1,0,0]=3 9607 B12R1.25 CCCOc1cccc(c1Cl)Br 7a_100010187913_100000210303 [0,2,0,0,0,0|1,0,0]=3 9608 B12R1.25 CCCOc1cccc(c1Cl)C 34a_100000695629_100000210303 [0,2,0,0,0,0|1,0,0]=3 9609 B12R1.25 CCCOc1cccc(c1Cl)C 7a_100000695629_100000210303 [0,2,0,0,0,0|1,0,0]=3 9610 B12R1.25 CCCOc1cccc(c1Cl)Cl 34a_100000211076_100000210303 [0,2,0,0,0,0|1,0,0]=3 9611 B12R1.25 CCCOc1cccc(c1Cl)Cl 7a_100000211076_100000210303 [0,2,0,0,0,0|1,0,0]=3 9612 B12R1.25 CCCOc1cccc(c1Cl)F 34a_100000087408_100000210303 [0,2,0,0,0,0|1,0,0]=3 9613 B12R1.25 CCCOc1cccc(c1Cl)F 7a_100000087408_100000210303 [0,2,0,0,0,0|1,0,0]=3 9614 B12R1.25 CCCOc1cccc(c1Cl)I 34a_100000049636_100000210303 [0,2,0,0,0,0|1,0,0]=3 9615 B12R1.25 CCCOc1cccc(c1Cl)I 7a_100000049636_100000210303 [0,2,0,0,0,0|1,0,0]=3 9616 B12R1.25 CCCOc1cccc(c1Cl)N 34a_100012002038_100000210303 [0,2,0,0,0,0|1,0,0]=3 9617 B12R1.25 CCCOc1cccc(c1Cl)N 7a_100012002038_100000210303 [0,2,0,0,0,0|1,0,0]=3 9618 B12R1.25 CCCOc1cccc(c1F)Br 34a_100009817021_100000210303 [0,2,0,0,0,0|1,0,0]=3 9619 B12R1.25 CCCOc1cccc(c1F)Br 7a_100009817021_100000210303 [0,2,0,0,0,0|1,0,0]=3 9620 B12R1.25 CCCOc1cccc(c1F)C 34a_100000751311_100000210303 [0,2,0,0,0,0|1,0,0]=3 9621 B12R1.25 CCCOc1cccc(c1F)C 7a_100000751311_100000210303 [0,2,0,0,0,0|1,0,0]=3 9622 B12R1.25 CCCOc1cccc(c1F)Cl 34a_100000687438_100000210303 [0,2,0,0,0,0|1,0,0]=3 9623 B12R1.25 CCCOc1cccc(c1F)Cl 7a_100000687438_100000210303 [0,2,0,0,0,0|1,0,0]=3 9624 B12R1.25 CCCOc1cccc(c1F)F 34a_100000751161_100000210303 [0,2,0,0,0,0|1,0,0]=3 9625 B12R1.25 CCCOc1cccc(c1F)F 7a_100000751161_100000210303 [0,2,0,0,0,0|1,0,0]=3 9626 B12R1.25 CCCOc1cccc(c1I)Br 34a_100010187912_100000210303 [0,2,0,0,0,0|1,0,0]=3 9627 B12R1.25 CCCOc1cccc(c1I)Br 7a_100010187912_100000210303 [0,2,0,0,0,0|1,0,0]=3 9628 B12R1.25 CCCOc1cccc(c1I)C 34a_100010083724_100000210303 [0,2,0,0,0,0|1,0,0]=3 9629 B12R1.25 CCCOc1cccc(c1I)C 7a_100010083724_100000210303 [0,2,0,0,0,0|1,0,0]=3 9630 B12R1.25 CCCOc1cccc(c1I)Cl 34a_100000050174_100000210303 [0,2,0,0,0,0|1,0,0]=3 9631 B12R1.25 CCCOc1cccc(c1I)Cl 7a_100000050174_100000210303 [0,2,0,0,0,0|1,0,0]=3 9632 B12R1.25 CCCOc1cccc(c1I)F 34a_100000690913_100000210303 [0,2,0,0,0,0|1,0,0]=3 9633 B12R1.25 CCCOc1cccc(c1I)F 7a_100000690913_100000210303 [0,2,0,0,0,0|1,0,0]=3 9634 B12R1.25 CCCOc1cccc(c1N)Br 34a_100011934926_100000210303 [0,2,0,0,0,0|1,0,0]=3 9635 B12R1.25 CCCOc1cccc(c1N)Br 7a_100011934926_100000210303 [0,2,0,0,0,0|1,0,0]=3 9636 B12R1.25 CCCOc1cccc(c1N)C 34a_100000743429_100000210303 [0,2,0,0,0,0|1,0,0]=3 9637 B12R1.25 CCCOc1cccc(c1N)C 7a_100000743429_100000210303 [0,2,0,0,0,0|1,0,0]=3 9638 B12R1.25 CCCOc1cccc(c1N)Cl 34a_100012022510_100000210303 [0,2,0,0,0,0|1,0,0]=3 9639 B12R1.25 CCCOc1cccc(c1N)Cl 7a_100012022510_100000210303 [0,2,0,0,0,0|1,0,0]=3 9640 B12R1.25 CCCOc1cccc(c1N)F 34a_100020591140_100000210303 [0,2,0,0,0,0|1,0,0]=3 9641 B12R1.25 CCCOc1cccc(c1N)F 7a_100020591140_100000210303 [0,2,0,0,0,0|1,0,0]=3 9642 B12R1.25 CCCOc1cccc(c1N)I 34a_200000049512_100000210303 [0,2,0,0,0,0|1,0,0]=3 9643 B12R1.25 CCCOc1cccc(c1N)I 7a_200000049512_100000210303 [0,2,0,0,0,0|1,0,0]=3 9644 B12R1.25 CCCOc1cccc(c1N)N 34a_100000033209_100000210303 [0,2,0,0,0,0|1,0,0]=3 9645 B12R1.25 CCCOc1cccn(c1=O)C 34a_100000117616_100000210303 [0,2,0,0,0,0|2,0,0]=4 9646 B12R1.25 CCCOc1cccn(c1=O)C 7a_100000117616_100000210303 [0,2,0,0,0,0|2,0,0]=4 9647 B12R1.25 CCCOc1ccnc(c1Br)Cl 34a_100010136240_100000210303 [0,2,0,0,0,0|2,0,0]=4 9648 B12R1.25 CCCOc1ccnc(c1Cl)Cl 34a_100009860235_100000210303 [0,2,0,0,0,0|2,0,0]=4 9649 B12R1.25 CCCOc1ccnc(c1F)Br 34a_100009876375_100000210303 [0,2,0,0,0,0|2,0,0]=4 9650 B12R1.25 CCCOc1ccnc(c1F)Cl 34a_100009856406_100000210303 [0,2,0,0,0,0|2,0,0]=4 9651 B12R1.25 CCCOc1ccnc(c1N)Cl 34a_100000128729_100000210303 [0,2,0,0,0,0|2,0,0]=4 9652 B12R1.25 CCCOc1nccc(c1Br)C 34a_100012000493_100000210303 [0,2,0,0,0,0|2,0,0]=4 9653 B12R1.25 CCCOc1nccc(c1C)Br 34a_100009858498_100000210303 [0,2,0,0,0,0|2,0,0]=4 9654 B12R1.25 CCCOc1nccc(c1Cl)N 34a_200000093555_100000210303 [0,2,0,0,0,0|2,0,0]=4 9655 B12R1.25 CCCSc1cccc(c1Br)Br 62a_100000210303_100010175083 [0,2,0,0,0,0|1,1,0]=4 9656 B12R1.25 CCCSc1cccc(c1Br)Br 62a_100010175083_100000210303 [0,2,0,0,0,0|1,1,0]=4 9657 B12R1.25 CCCSc1cccc(c1Br)C 62a_100000210303_100012362457 [0,2,0,0,0,0|1,1,0]=4 9658 B12R1.25 CCCSc1cccc(c1Br)C 62a_100012362457_100000210303 [0,2,0,0,0,0|1,1,0]=4 9659 B12R1.25 CCCSc1cccc(c1Br)Cl 62a_100000210303_100014021842 [0,2,0,0,0,0|1,1,0]=4 9660 B12R1.25 CCCSc1cccc(c1Br)Cl 62a_100014021842_100000210303 [0,2,0,0,0,0|1,1,0]=4 9661 B12R1.25 CCCSc1cccc(c1Br)F 62a_100000210303_100010202630 [0,2,0,0,0,0|1,1,0]=4 9662 B12R1.25 CCCSc1cccc(c1Br)F 62a_100010202630_100000210303 [0,2,0,0,0,0|1,1,0]=4 9663 B12R1.25 CCCSc1cccc(c1Br)O 62a_100000210303_100010187914 [0,2,0,0,0,0|1,1,0]=4 9664 B12R1.25 CCCSc1cccc(c1Br)O 62a_100010187914_100000210303 [0,2,0,0,0,0|1,1,0]=4 9665 B12R1.25 CCCSc1cccc(c1C)Br 62a_100000210303_100012353703 [0,2,0,0,0,0|1,1,0]=4 9666 B12R1.25 CCCSc1cccc(c1C)Br 62a_100012353703_100000210303 [0,2,0,0,0,0|1,1,0]=4 9667 B12R1.25 CCCSc1cccc(c1C)C 62a_100000210303_100011214922 [0,2,0,0,0,0|1,1,0]=4 9668 B12R1.25 CCCSc1cccc(c1C)C 62a_100011214922_100000210303 [0,2,0,0,0,0|1,1,0]=4 9669 B12R1.25 CCCSc1cccc(c1C)Cl 62a_100000210303_100000726075 [0,2,0,0,0,0|1,1,0]=4 9670 B12R1.25 CCCSc1cccc(c1C)Cl 62a_100000726075_100000210303 [0,2,0,0,0,0|1,1,0]=4 9671 B12R1.25 CCCSc1cccc(c1C)F 62a_100000210303_100011216893 [0,2,0,0,0,0|1,1,0]=4 9672 B12R1.25 CCCSc1cccc(c1C)F 62a_100011216893_100000210303 [0,2,0,0,0,0|1,1,0]=4 9673 B12R1.25 CCCSc1cccc(c1C)N 62a_100000210303_100000761887 [0,2,0,0,0,0|1,1,0]=4 9674 B12R1.25 CCCSc1cccc(c1C)N 62a_100000761887_100000210303 [0,2,0,0,0,0|1,1,0]=4 9675 B12R1.25 CCCSc1cccc(c1C)O 62a_100000210303_100012002258 [0,2,0,0,0,0|1,1,0]=4 9676 B12R1.25 CCCSc1cccc(c1C)O 62a_100012002258_100000210303 [0,2,0,0,0,0|1,1,0]=4 9677 B12R1.25 CCCSc1cccc(c1Cl)Br 62a_100000210303_100010142854 [0,2,0,0,0,0|1,1,0]=4 9678 B12R1.25 CCCSc1cccc(c1Cl)Br 62a_100010142854_100000210303 [0,2,0,0,0,0|1,1,0]=4 9679 B12R1.25 CCCSc1cccc(c1Cl)C 62a_100000210303_200012352035 [0,2,0,0,0,0|1,1,0]=4 9680 B12R1.25 CCCSc1cccc(c1Cl)C 62a_200012352035_100000210303 [0,2,0,0,0,0|1,1,0]=4 9681 B12R1.25 CCCSc1cccc(c1Cl)Cl 62a_100000210303_100011215384 [0,2,0,0,0,0|1,1,0]=4 9682 B12R1.25 CCCSc1cccc(c1Cl)Cl 62a_100011215384_100000210303 [0,2,0,0,0,0|1,1,0]=4 9683 B12R1.25 CCCSc1cccc(c1Cl)F 62a_100000210303_200010234923 [0,2,0,0,0,0|1,1,0]=4 9684 B12R1.25 CCCSc1cccc(c1Cl)F 62a_200010234923_100000210303 [0,2,0,0,0,0|1,1,0]=4 9685 B12R1.25 CCCSc1cccc(c1Cl)O 62a_100000210303_100000049636 [0,2,0,0,0,0|1,1,0]=4 9686 B12R1.25 CCCSc1cccc(c1F)Br 62a_100000210303_100000702267 [0,2,0,0,0,0|1,1,0]=4 9687 B12R1.25 CCCSc1cccc(c1F)Br 62a_100000702267_100000210303 [0,2,0,0,0,0|1,1,0]=4 9688 B12R1.25 CCCSc1cccc(c1F)C 62a_100000210303_100000717567 [0,2,0,0,0,0|1,1,0]=4 9689 B12R1.25 CCCSc1cccc(c1F)C 62a_100000717567_100000210303 [0,2,0,0,0,0|1,1,0]=4 9690 B12R1.25 CCCSc1cccc(c1F)Cl 62a_100000210303_100011217346 [0,2,0,0,0,0|1,1,0]=4 9691 B12R1.25 CCCSc1cccc(c1F)Cl 62a_100011217346_100000210303 [0,2,0,0,0,0|1,1,0]=4 9692 B12R1.25 CCCSc1cccc(c1F)F 62a_100000210303_100000694657 [0,2,0,0,0,0|1,1,0]=4 9693 B12R1.25 CCCSc1cccc(c1F)F 62a_100000694657_100000210303 [0,2,0,0,0,0|1,1,0]=4 9694 B12R1.25 CCCSc1cccc(c1F)N 62a_100000210303_100011935091 [0,2,0,0,0,0|1,1,0]=4 9695 B12R1.25 CCCSc1cccc(c1F)N 62a_100011935091_100000210303 [0,2,0,0,0,0|1,1,0]=4 9696 B12R1.25 CCCSc1cccc(c1F)O 62a_100000210303_100009817021 [0,2,0,0,0,0|1,1,0]=4 9697 B12R1.25 CCCSc1cccc(c1F)O 62a_100009817021_100000210303 [0,2,0,0,0,0|1,1,0]=4 9698 B12R1.25 CCCSc1cccc(c1N)Br 62a_100000210303_100010146558 [0,2,0,0,0,0|1,1,0]=4 9699 B12R1.25 CCCSc1cccc(c1N)Br 62a_100010146558_100000210303 [0,2,0,0,0,0|1,1,0]=4 9700 B12R1.25 CCCSc1cccc(c1N)C 62a_100000210303_100011834072 [0,2,0,0,0,0|1,1,0]=4 9701 B12R1.25 CCCSc1cccc(c1N)C 62a_100011834072_100000210303 [0,2,0,0,0,0|1,1,0]=4 9702 B12R1.25 CCCSc1cccc(c1N)Cl 62a_100000210303_100010190421 [0,2,0,0,0,0|1,1,0]=4 9703 B12R1.25 CCCSc1cccc(c1N)Cl 62a_100010190421_100000210303 [0,2,0,0,0,0|1,1,0]=4 9704 B12R1.25 CCCSc1cccc(c1N)F 62a_100000042321_100000210303 [0,2,0,0,0,0|1,1,0]=4 9705 B12R1.25 CCCSc1cccc(c1N)F 62a_100000210303_100000042321 [0,2,0,0,0,0|1,1,0]=4 9706 B12R1.25 CCCSc1cccc(c1N)N 62a_100015191791_100000210303 [0,2,0,0,0,0|1,1,0]=4 9707 B12R1.25 CCCSc1cccc(c1N)O 62a_100000210303_100011934926 [0,2,0,0,0,0|1,1,0]=4 9708 B12R1.25 CCCSc1cccc(c1O)Br 62a_100000210303_100010084509 [0,2,0,0,0,0|1,1,0]=4 9709 B12R1.25 CCCSc1cccc(c1O)Br 62a_100010084509_100000210303 [0,2,0,0,0,0|1,1,0]=4 9710 B12R1.25 CCCSc1cccc(c1O)C 62a_100000210303_100009817157 [0,2,0,0,0,0|1,1,0]=4 9711 B12R1.25 CCCSc1cccc(c1O)C 62a_100009817157_100000210303 [0,2,0,0,0,0|1,1,0]=4 9712 B12R1.25 CCCSc1cccc(c1O)Cl 62a_100000210303_100010202889 [0,2,0,0,0,0|1,1,0]=4 9713 B12R1.25 CCCSc1cccc(c1O)Cl 62a_100010202889_100000210303 [0,2,0,0,0,0|1,1,0]=4 9714 B12R1.25 CCCSc1cccc(c1O)F 62a_100000210303_100009813666 [0,2,0,0,0,0|1,1,0]=4 9715 B12R1.25 CCCSc1cccc(c1O)F 62a_100009813666_100000210303 [0,2,0,0,0,0|1,1,0]=4 9716 B12R1.25 CCCSc1cccc(c1O)N 62a_100000210303_100010084371 [0,2,0,0,0,0|1,1,0]=4 9717 B12R1.25 CCCSc1cccc(c1O)N 62a_100011934915_100000210303 [0,2,0,0,0,0|1,1,0]=4 9718 B12R1.25 CCCSc1cccc(c1O)O 62a_100000210303_100009815950 [0,2,0,0,0,0|1,1,0]=4 9719 B12R1.25 CSCOc1cccc(c1Br)Br 34a_100010187966_100011218213 [0,2,0,0,0,0|2,0,0]=4 9720 B12R1.25 CSCOc1cccc(c1Br)C 34a_100000686692_100011218213 [0,2,0,0,0,0|2,0,0]=4 9721 B12R1.25 CSCOc1cccc(c1Br)Cl 34a_100012348804_100011218213 [0,2,0,0,0,0|2,0,0]=4 9722 B12R1.25 CSCOc1cccc(c1Br)F 34a_100009820682_100011218213 [0,2,0,0,0,0|2,0,0]=4 9723 B12R1.25 CSCOc1cccc(c1Br)I 34a_100010187914_100011218213 [0,2,0,0,0,0|2,0,0]=4 9724 B12R1.25 CSCOc1cccc(c1Br)N 34a_100012183704_100011218213 [0,2,0,0,0,0|2,0,0]=4 9725 B12R1.25 CSCOc1cccc(c1C)Br 34a_100012002258_100011218213 [0,2,0,0,0,0|2,0,0]=4 9726 B12R1.25 CSCOc1cccc(c1C)C 34a_100000185855_100011218213 [0,2,0,0,0,0|2,0,0]=4 9727 B12R1.25 CSCOc1cccc(c1C)Cl 34a_100011265684_100011218213 [0,2,0,0,0,0|2,0,0]=4 9728 B12R1.25 CSCOc1cccc(c1C)F 34a_100011217231_100011218213 [0,2,0,0,0,0|2,0,0]=4 9729 B12R1.25 CSCOc1cccc(c1C)N 34a_100011216573_100011218213 [0,2,0,0,0,0|2,0,0]=4 9730 B12R1.25 CSCOc1cccc(c1Cl)Br 34a_100010187913_100011218213 [0,2,0,0,0,0|2,0,0]=4 9731 B12R1.25 CSCOc1cccc(c1Cl)C 34a_100000695629_100011218213 [0,2,0,0,0,0|2,0,0]=4 9732 B12R1.25 CSCOc1cccc(c1Cl)Cl 34a_100000211076_100011218213 [0,2,0,0,0,0|2,0,0]=4 9733 B12R1.25 CSCOc1cccc(c1Cl)F 34a_100000087408_100011218213 [0,2,0,0,0,0|2,0,0]=4 9734 B12R1.25 CSCOc1cccc(c1Cl)I 34a_100000049636_100011218213 [0,2,0,0,0,0|2,0,0]=4 9735 B12R1.25 CSCOc1cccc(c1Cl)N 34a_100012002038_100011218213 [0,2,0,0,0,0|2,0,0]=4 9736 B12R1.25 CSCOc1cccc(c1F)Br 34a_100009817021_100011218213 [0,2,0,0,0,0|2,0,0]=4 9737 B12R1.25 CSCOc1cccc(c1F)C 34a_100000751311_100011218213 [0,2,0,0,0,0|2,0,0]=4 9738 B12R1.25 CSCOc1cccc(c1F)Cl 34a_100000687438_100011218213 [0,2,0,0,0,0|2,0,0]=4 9739 B12R1.25 CSCOc1cccc(c1F)F 34a_100000751161_100011218213 [0,2,0,0,0,0|2,0,0]=4 9740 B12R1.25 CSCOc1cccc(c1I)Br 34a_100010187912_100011218213 [0,2,0,0,0,0|2,0,0]=4 9741 B12R1.25 CSCOc1cccc(c1I)C 34a_100010083724_100011218213 [0,2,0,0,0,0|2,0,0]=4 9742 B12R1.25 CSCOc1cccc(c1I)Cl 34a_100000050174_100011218213 [0,2,0,0,0,0|2,0,0]=4 9743 B12R1.25 CSCOc1cccc(c1I)F 34a_100000690913_100011218213 [0,2,0,0,0,0|2,0,0]=4 9744 B12R1.25 CSCOc1cccc(c1N)Br 34a_100011934926_100011218213 [0,2,0,0,0,0|2,0,0]=4 9745 B12R1.25 CSCOc1cccc(c1N)C 34a_100000743429_100011218213 [0,2,0,0,0,0|2,0,0]=4 9746 B12R1.25 CSCOc1cccc(c1N)Cl 34a_100012022510_100011218213 [0,2,0,0,0,0|2,0,0]=4 9747 B12R1.25 CSCOc1cccc(c1N)F 34a_100020591140_100011218213 [0,2,0,0,0,0|2,0,0]=4 9748 B12R1.25 CSCOc1cccc(c1N)I 34a_200000049512_100011218213 [0,2,0,0,0,0|2,0,0]=4 9749 B12R1.25 CSCOc1cccc(c1N)N 34a_100000033209_100011218213 [0,2,0,0,0,0|2,0,0]=4 9750 B12R1.25 Cc1c(cccc1NCCF)Br 34a_100000750434_100011217306 [0,2,0,0,0,0|2,0,0]=4 9751 B12R1.25 Cc1c(cccc1NCCF)Cl 2230a_100000210441_100011217306 [0,2,0,0,0,0|2,0,0]=4 9752 B12R1.25 Cc1c(cccc1NCCF)Cl 34a_100000210441_100011217306 [0,2,0,0,0,0|2,0,0]=4 9753 B12R1.25 Cc1c(cccc1NCCF)Cl 7a_100000210441_100011217306 [0,2,0,0,0,0|2,0,0]=4 9754 B12R1.25 Cc1c(cccc1NCCF)F 34a_100000745574_100011217306 [0,2,0,0,0,0|2,0,0]=4 9755 B12R1.25 Cc1c(cccc1NCCF)F 7a_100000745574_100011217306 [0,2,0,0,0,0|2,0,0]=4 9756 B12R1.25 Cc1c(cccc1NCCF)I 34a_100000761887_100011217306 [0,2,0,0,0,0|2,0,0]=4 9757 B12R1.25 Cc1c(cccc1NCCF)O 34a_100011216573_100011217306 [0,2,0,0,0,0|2,0,0]=4 9758 B12R1.25 Cc1c(cccc1NCCF)O 7a_100011216573_100011217306 [0,2,0,0,0,0|2,0,0]=4 9759 B12R1.25 Cc1c(cccc1NCCO)Br 34a_100000750434_100000211926 [0,2,0,0,0,0|1,0,0]=3 9760 B12R1.25 Cc1c(cccc1NCCO)Cl 2230a_100000210441_100000211926 [0,2,0,0,0,0|1,0,0]=3 9761 B12R1.25 Cc1c(cccc1NCCO)Cl 34a_100000210441_100000211926 [0,2,0,0,0,0|1,0,0]=3 9762 B12R1.25 Cc1c(cccc1NCCO)Cl 7a_100000210441_100000211926 [0,2,0,0,0,0|1,0,0]=3 9763 B12R1.25 Cc1c(cccc1NCCO)F 34a_100000745574_100000211926 [0,2,0,0,0,0|1,0,0]=3 9764 B12R1.25 Cc1c(cccc1NCCO)F 7a_100000745574_100000211926 [0,2,0,0,0,0|1,0,0]=3 9765 B12R1.25 Cc1c(cccc1NCCO)I 34a_100000761887_100000211926 [0,2,0,0,0,0|1,0,0]=3 9766 B12R1.25 Cc1c(cccc1NCCO)O 34a_100011216573_100000211926 [0,2,0,0,0,0|1,0,0]=3 9767 B12R1.25 Cc1c(cccc1NCCO)O 7a_100011216573_100000211926 [0,2,0,0,0,0|1,0,0]=3 9768 B12R1.25 Cc1c(cccc1OCC#N)Br 7a_100012002258_100011215382 [0,2,0,0,0,0|1,0,1]=4 9769 B12R1.25 Cc1c(cccc1OCC#N)Cl 7a_100011265684_100011215382 [0,2,0,0,0,0|1,0,1]=4 9770 B12R1.25 Cc1c(cccc1OCC#N)F 7a_100011217231_100011215382 [0,2,0,0,0,0|1,0,1]=4 9771 B12R1.25 Cc1c(cccc1OCC#N)N 7a_100011216573_100011215382 [0,2,0,0,0,0|1,0,1]=4 9772 B12R1.25 Cc1c(cccc1OCC=O)Br 34a_100012002258_200009817547 [0,2,0,0,0,0|0,0,2]=4 9773 B12R1.25 Cc1c(cccc1OCC=O)Br 7a_100012002258_200015260668 [0,2,0,0,0,0|0,0,2]=4 9774 B12R1.25 Cc1c(cccc1OCC=O)Cl 34a_100011265684_200009817547 [0,2,0,0,0,0|0,0,2]=4 9775 B12R1.25 Cc1c(cccc1OCC=O)Cl 7a_100011265684_200015260668 [0,2,0,0,0,0|0,0,2]=4 9776 B12R1.25 Cc1c(cccc1OCC=O)F 34a_100011217231_200009817547 [0,2,0,0,0,0|0,0,2]=4 9777 B12R1.25 Cc1c(cccc1OCC=O)F 7a_100011217231_200015260668 [0,2,0,0,0,0|0,0,2]=4 9778 B12R1.25 Cc1c(cccc1OCC=O)N 34a_100011216573_200009817547 [0,2,0,0,0,0|0,0,2]=4 9779 B12R1.25 Cc1c(cccc1OCC=O)N 7a_100011216573_200015260668 [0,2,0,0,0,0|0,0,2]=4 9780 B12R1.25 Cc1c(cccc1OCCF)Br 34a_100012002258_100011217306 [0,2,0,0,0,0|1,0,0]=3 9781 B12R1.25 Cc1c(cccc1OCCF)Br 7a_100012002258_100011217306 [0,2,0,0,0,0|1,0,0]=3 9782 B12R1.25 Cc1c(cccc1OCCF)Cl 34a_100011265684_100011217306 [0,2,0,0,0,0|1,0,0]=3 9783 B12R1.25 Cc1c(cccc1OCCF)Cl 7a_100011265684_100011217306 [0,2,0,0,0,0|1,0,0]=3 9784 B12R1.25 Cc1c(cccc1OCCF)F 34a_100011217231_100011217306 [0,2,0,0,0,0|1,0,0]=3 9785 B12R1.25 Cc1c(cccc1OCCF)F 7a_100011217231_100011217306 [0,2,0,0,0,0|1,0,0]=3 9786 B12R1.25 Cc1c(cccc1OCCF)N 34a_100011216573_100011217306 [0,2,0,0,0,0|1,0,0]=3 9787 B12R1.25 Cc1c(cccc1OCCF)N 7a_100011216573_100011217306 [0,2,0,0,0,0|1,0,0]=3 9788 B12R1.25 Cc1c(cccc1OCCO)Br 34a_100012002258_100000211926 [0,2,0,0,0,0|0,0,0]=2 9789 B12R1.25 Cc1c(cccc1OCCO)Br 7a_100012002258_100000211926 [0,2,0,0,0,0|0,0,0]=2 9790 B12R1.25 Cc1c(cccc1OCCO)Cl 34a_100011265684_100000211926 [0,2,0,0,0,0|0,0,0]=2 9791 B12R1.25 Cc1c(cccc1OCCO)Cl 7a_100011265684_100000211926 [0,2,0,0,0,0|0,0,0]=2 9792 B12R1.25 Cc1c(cccc1OCCO)F 34a_100011217231_100000211926 [0,2,0,0,0,0|0,0,0]=2 9793 B12R1.25 Cc1c(cccc1OCCO)F 7a_100011217231_100000211926 [0,2,0,0,0,0|0,0,0]=2 9794 B12R1.25 Cc1c(cccc1OCCO)N 34a_100011216573_100000211926 [0,2,0,0,0,0|0,0,0]=2 9795 B12R1.25 Cc1c(cccc1OCCO)N 7a_100011216573_100000211926 [0,2,0,0,0,0|0,0,0]=2 9796 B12R1.25 Cc1c(cccc1SCCF)Br 62a_100011217306_100012353703 [0,2,0,0,0,0|1,1,0]=4 9797 B12R1.25 Cc1c(cccc1SCCF)Br 62a_100012353703_100011217306 [0,2,0,0,0,0|1,1,0]=4 9798 B12R1.25 Cc1c(cccc1SCCF)Cl 62a_100000726075_100011217306 [0,2,0,0,0,0|1,1,0]=4 9799 B12R1.25 Cc1c(cccc1SCCF)Cl 62a_100011217306_100000726075 [0,2,0,0,0,0|1,1,0]=4 9800 B12R1.25 Cc1c(cccc1SCCF)F 62a_100011216893_100011217306 [0,2,0,0,0,0|1,1,0]=4 9801 B12R1.25 Cc1c(cccc1SCCF)F 62a_100011217306_100011216893 [0,2,0,0,0,0|1,1,0]=4 9802 B12R1.25 Cc1c(cccc1SCCF)N 62a_100000761887_100011217306 [0,2,0,0,0,0|1,1,0]=4 9803 B12R1.25 Cc1c(cccc1SCCF)N 62a_100011217306_100000761887 [0,2,0,0,0,0|1,1,0]=4 9804 B12R1.25 Cc1c(cccc1SCCF)O 62a_100011217306_100012002258 [0,2,0,0,0,0|1,1,0]=4 9805 B12R1.25 Cc1c(cccc1SCCF)O 62a_100012002258_100011217306 [0,2,0,0,0,0|1,1,0]=4 9806 B12R1.25 Cc1c(cccc1SCCO)Br 62a_100000211926_100012353703 [0,2,0,0,0,0|0,1,0]=3 9807 B12R1.25 Cc1c(cccc1SCCO)Br 62a_100012353703_100000211926 [0,2,0,0,0,0|0,1,0]=3 9808 B12R1.25 Cc1c(cccc1SCCO)Cl 62a_100000211926_100000726075 [0,2,0,0,0,0|0,1,0]=3 9809 B12R1.25 Cc1c(cccc1SCCO)Cl 62a_100000726075_100000211926 [0,2,0,0,0,0|0,1,0]=3 9810 B12R1.25 Cc1c(cccc1SCCO)F 62a_100000211926_100011216893 [0,2,0,0,0,0|0,1,0]=3 9811 B12R1.25 Cc1c(cccc1SCCO)F 62a_100011216893_100000211926 [0,2,0,0,0,0|0,1,0]=3 9812 B12R1.25 Cc1c(cccc1SCCO)N 62a_100000211926_100000761887 [0,2,0,0,0,0|0,1,0]=3 9813 B12R1.25 Cc1c(cccc1SCCO)N 62a_100000761887_100000211926 [0,2,0,0,0,0|0,1,0]=3 9814 B12R1.25 Cc1c(cccc1SCCO)O 62a_100000211926_100012002258 [0,2,0,0,0,0|0,1,0]=3 9815 B12R1.25 Cc1c(cccc1SCCO)O 62a_100012002258_100000211926 [0,2,0,0,0,0|0,1,0]=3 9816 B12R1.25 Cc1c(ccnc1Cl)SCCO 62a_100000047055_100000211926 [0,2,0,0,0,0|1,1,0]=4 9817 B12R1.25 Cc1c(ccnc1Cl)SCCO 62a_100000211926_100000047055 [0,2,0,0,0,0|1,1,0]=4 9818 B12R1.25 Cc1c(ccnc1F)NCCO 27a_100000210304_100010006593 [0,2,0,0,0,0|2,0,0]=4 9819 B12R1.25 Cc1c(ccnc1F)SCCO 62a_100000211926_100010006593 [0,2,0,0,0,0|1,1,0]=4 9820 B12R1.25 Cc1c(ccnc1F)SCCO 62a_100010006593_100000211926 [0,2,0,0,0,0|1,1,0]=4 9821 B12R1.25 Cc1c(ccnc1N)SCCO 62a_100000211926_100009865460 [0,2,0,0,0,0|1,1,0]=4 9822 B12R1.25 Cc1c(ccnc1N)SCCO 62a_100009865460_100000211926 [0,2,0,0,0,0|1,1,0]=4 9823 B12R1.25 Cc1c(ccnc1NCCO)F 27a_100000210304_100009846374 [0,2,0,0,0,0|2,0,0]=4 9824 B12R1.25 Cc1c(ccnc1O)SCCO 62a_100000211926_100009858498 [0,2,0,0,0,0|1,1,0]=4 9825 B12R1.25 Cc1c(ccnc1O)SCCO 62a_100009858498_100000211926 [0,2,0,0,0,0|1,1,0]=4 9826 B12R1.25 Cc1c(ccnc1OCCF)Br 34a_100009858498_100011217306 [0,2,0,0,0,0|2,0,0]=4 9827 B12R1.25 Cc1c(ccnc1OCCO)Br 34a_100009858498_100000211926 [0,2,0,0,0,0|1,0,0]=3 9828 B12R1.25 Cc1c(ccnc1SCCO)F 62a_100000211926_100009846374 [0,2,0,0,0,0|1,1,0]=4 9829 B12R1.25 Cc1c(ccnc1SCCO)F 62a_100009846374_100000211926 [0,2,0,0,0,0|1,1,0]=4 9830 B12R1.25 Cc1c(ccnc1SCCO)N 62a_100000211926_100000690622 [0,2,0,0,0,0|1,1,0]=4 9831 B12R1.25 Cc1c(ccnc1SCCO)N 62a_100000690622_100000211926 [0,2,0,0,0,0|1,1,0]=4 9832 B12R1.25 Cc1c(cncc1SCCO)Br 62a_100000211926_100010109657 [0,2,0,0,0,0|1,1,0]=4 9833 B12R1.25 Cc1c(cncc1SCCO)Br 62a_100010109657_100000211926 [0,2,0,0,0,0|1,1,0]=4 9834 B12R1.25 Cc1c(cncc1SCCO)F 62a_100000211926_100009881546 [0,2,0,0,0,0|1,1,0]=4 9835 B12R1.25 Cc1c(cncc1SCCO)F 62a_100009881546_100000211926 [0,2,0,0,0,0|1,1,0]=4 9836 B12R1.25 Cc1c(cncc1SCCO)N 62a_100000211926_100011998293 [0,2,0,0,0,0|1,1,0]=4 9837 B12R1.25 Cc1c(cncc1SCCO)N 62a_100011998293_100000211926 [0,2,0,0,0,0|1,1,0]=4 9838 B12R1.25 Cc1c(ncnc1OCCO)Cl 34a_100011912821_100000211926 [0,2,0,0,0,0|2,0,0]=4 9839 B12R1.25 Cc1cccc(c1Br)NCCF 34a_100000684715_100011217306 [0,2,0,0,0,0|2,0,0]=4 9840 B12R1.25 Cc1cccc(c1Br)NCCO 34a_100000684715_100000211926 [0,2,0,0,0,0|1,0,0]=3 9841 B12R1.25 Cc1cccc(c1Br)OCC#N 7a_100000686692_100011215382 [0,2,0,0,0,0|1,0,1]=4 9842 B12R1.25 Cc1cccc(c1Br)OCC=O 34a_100000686692_200009817547 [0,2,0,0,0,0|0,0,2]=4 9843 B12R1.25 Cc1cccc(c1Br)OCC=O 7a_100000686692_200015260668 [0,2,0,0,0,0|0,0,2]=4 9844 B12R1.25 Cc1cccc(c1Br)OCCF 34a_100000686692_100011217306 [0,2,0,0,0,0|1,0,0]=3 9845 B12R1.25 Cc1cccc(c1Br)OCCF 7a_100000686692_100011217306 [0,2,0,0,0,0|1,0,0]=3 9846 B12R1.25 Cc1cccc(c1Br)OCCO 34a_100000686692_100000211926 [0,2,0,0,0,0|0,0,0]=2 9847 B12R1.25 Cc1cccc(c1Br)OCCO 7a_100000686692_100000211926 [0,2,0,0,0,0|0,0,0]=2 9848 B12R1.25 Cc1cccc(c1Br)SCCF 62a_100011217306_100012362457 [0,2,0,0,0,0|1,1,0]=4 9849 B12R1.25 Cc1cccc(c1Br)SCCF 62a_100012362457_100011217306 [0,2,0,0,0,0|1,1,0]=4 9850 B12R1.25 Cc1cccc(c1Br)SCCO 62a_100000211926_100012362457 [0,2,0,0,0,0|0,1,0]=3 9851 B12R1.25 Cc1cccc(c1Br)SCCO 62a_100012362457_100000211926 [0,2,0,0,0,0|0,1,0]=3 9852 B12R1.25 Cc1cccc(c1C)NCCF 2230a_100000210026_100011217306 [0,2,0,0,0,0|2,0,0]=4 9853 B12R1.25 Cc1cccc(c1C)NCCF 34a_100000210026_100011217306 [0,2,0,0,0,0|2,0,0]=4 9854 B12R1.25 Cc1cccc(c1C)NCCF 7a_100000210026_100011217306 [0,2,0,0,0,0|2,0,0]=4 9855 B12R1.25 Cc1cccc(c1C)NCCO 2230a_100000210026_100000211926 [0,2,0,0,0,0|1,0,0]=3 9856 B12R1.25 Cc1cccc(c1C)NCCO 34a_100000210026_100000211926 [0,2,0,0,0,0|1,0,0]=3 9857 B12R1.25 Cc1cccc(c1C)NCCO 7a_100000210026_100000211926 [0,2,0,0,0,0|1,0,0]=3 9858 B12R1.25 Cc1cccc(c1C)OCC#N 7a_100000185855_100011215382 [0,2,0,0,0,0|1,0,1]=4 9859 B12R1.25 Cc1cccc(c1C)OCC=O 34a_100000185855_200009817547 [0,2,0,0,0,0|0,0,2]=4 9860 B12R1.25 Cc1cccc(c1C)OCC=O 7a_100000185855_200015260668 [0,2,0,0,0,0|0,0,2]=4 9861 B12R1.25 Cc1cccc(c1C)OCCF 34a_100000185855_100011217306 [0,2,0,0,0,0|1,0,0]=3 9862 B12R1.25 Cc1cccc(c1C)OCCF 7a_100000185855_100011217306 [0,2,0,0,0,0|1,0,0]=3 9863 B12R1.25 Cc1cccc(c1C)OCCO 34a_100000185855_100000211926 [0,2,0,0,0,0|0,0,0]=2 9864 B12R1.25 Cc1cccc(c1C)OCCO 7a_100000185855_100000211926 [0,2,0,0,0,0|0,0,0]=2 9865 B12R1.25 Cc1cccc(c1C)SCCF 62a_100011214922_100011217306 [0,2,0,0,0,0|1,1,0]=4 9866 B12R1.25 Cc1cccc(c1C)SCCF 62a_100011217306_100011214922 [0,2,0,0,0,0|1,1,0]=4 9867 B12R1.25 Cc1cccc(c1C)SCCO 62a_100000211926_100011214922 [0,2,0,0,0,0|0,1,0]=3 9868 B12R1.25 Cc1cccc(c1C)SCCO 62a_100011214922_100000211926 [0,2,0,0,0,0|0,1,0]=3 9869 B12R1.25 Cc1cccc(c1Cl)NCCF 34a_100000765562_100011217306 [0,2,0,0,0,0|2,0,0]=4 9870 B12R1.25 Cc1cccc(c1Cl)NCCF 7a_100000765562_100011217306 [0,2,0,0,0,0|2,0,0]=4 9871 B12R1.25 Cc1cccc(c1Cl)NCCO 34a_100000765562_100000211926 [0,2,0,0,0,0|1,0,0]=3 9872 B12R1.25 Cc1cccc(c1Cl)NCCO 7a_100000765562_100000211926 [0,2,0,0,0,0|1,0,0]=3 9873 B12R1.25 Cc1cccc(c1Cl)OCC#N 7a_100000695629_100011215382 [0,2,0,0,0,0|1,0,1]=4 9874 B12R1.25 Cc1cccc(c1Cl)OCC=O 34a_100000695629_200009817547 [0,2,0,0,0,0|0,0,2]=4 9875 B12R1.25 Cc1cccc(c1Cl)OCC=O 7a_100000695629_200015260668 [0,2,0,0,0,0|0,0,2]=4 9876 B12R1.25 Cc1cccc(c1Cl)OCCF 34a_100000695629_100011217306 [0,2,0,0,0,0|1,0,0]=3 9877 B12R1.25 Cc1cccc(c1Cl)OCCF 7a_100000695629_100011217306 [0,2,0,0,0,0|1,0,0]=3 9878 B12R1.25 Cc1cccc(c1Cl)OCCO 34a_100000695629_100000211926 [0,2,0,0,0,0|0,0,0]=2 9879 B12R1.25 Cc1cccc(c1Cl)OCCO 7a_100000695629_100000211926 [0,2,0,0,0,0|0,0,0]=2 9880 B12R1.25 Cc1cccc(c1Cl)SCCF 62a_100011217306_200012352035 [0,2,0,0,0,0|1,1,0]=4 9881 B12R1.25 Cc1cccc(c1Cl)SCCF 62a_200012352035_100011217306 [0,2,0,0,0,0|1,1,0]=4 9882 B12R1.25 Cc1cccc(c1Cl)SCCO 62a_100000211926_200012352035 [0,2,0,0,0,0|0,1,0]=3 9883 B12R1.25 Cc1cccc(c1Cl)SCCO 62a_200012352035_100000211926 [0,2,0,0,0,0|0,1,0]=3 9884 B12R1.25 Cc1cccc(c1F)NCCF 2230a_100000697159_100011217306 [0,2,0,0,0,0|2,0,0]=4 9885 B12R1.25 Cc1cccc(c1F)NCCF 34a_100000697159_100011217306 [0,2,0,0,0,0|2,0,0]=4 9886 B12R1.25 Cc1cccc(c1F)NCCF 7a_100000697159_100011217306 [0,2,0,0,0,0|2,0,0]=4 9887 B12R1.25 Cc1cccc(c1F)NCCO 2230a_100000697159_100000211926 [0,2,0,0,0,0|1,0,0]=3 9888 B12R1.25 Cc1cccc(c1F)NCCO 34a_100000697159_100000211926 [0,2,0,0,0,0|1,0,0]=3 9889 B12R1.25 Cc1cccc(c1F)NCCO 7a_100000697159_100000211926 [0,2,0,0,0,0|1,0,0]=3 9890 B12R1.25 Cc1cccc(c1F)OCC#N 7a_100000751311_100011215382 [0,2,0,0,0,0|1,0,1]=4 9891 B12R1.25 Cc1cccc(c1F)OCC=O 34a_100000751311_200009817547 [0,2,0,0,0,0|0,0,2]=4 9892 B12R1.25 Cc1cccc(c1F)OCC=O 7a_100000751311_200015260668 [0,2,0,0,0,0|0,0,2]=4 9893 B12R1.25 Cc1cccc(c1F)OCCF 34a_100000751311_100011217306 [0,2,0,0,0,0|1,0,0]=3 9894 B12R1.25 Cc1cccc(c1F)OCCF 7a_100000751311_100011217306 [0,2,0,0,0,0|1,0,0]=3 9895 B12R1.25 Cc1cccc(c1F)OCCO 34a_100000751311_100000211926 [0,2,0,0,0,0|0,0,0]=2 9896 B12R1.25 Cc1cccc(c1F)OCCO 7a_100000751311_100000211926 [0,2,0,0,0,0|0,0,0]=2 9897 B12R1.25 Cc1cccc(c1F)SCCF 62a_100000717567_100011217306 [0,2,0,0,0,0|1,1,0]=4 9898 B12R1.25 Cc1cccc(c1F)SCCF 62a_100011217306_100000717567 [0,2,0,0,0,0|1,1,0]=4 9899 B12R1.25 Cc1cccc(c1F)SCCO 62a_100000211926_100000717567 [0,2,0,0,0,0|0,1,0]=3 9900 B12R1.25 Cc1cccc(c1F)SCCO 62a_100000717567_100000211926 [0,2,0,0,0,0|0,1,0]=3 9901 B12R1.25 Cc1cccc(c1I)NCCF 34a_100000761888_100011217306 [0,2,0,0,0,0|2,0,0]=4 9902 B12R1.25 Cc1cccc(c1I)NCCO 34a_100000761888_100000211926 [0,2,0,0,0,0|1,0,0]=3 9903 B12R1.25 Cc1cccc(c1I)OCC#N 7a_100010083724_100011215382 [0,2,0,0,0,0|1,0,1]=4 9904 B12R1.25 Cc1cccc(c1I)OCC=O 34a_100010083724_200009817547 [0,2,0,0,0,0|0,0,2]=4 9905 B12R1.25 Cc1cccc(c1I)OCC=O 7a_100010083724_200015260668 [0,2,0,0,0,0|0,0,2]=4 9906 B12R1.25 Cc1cccc(c1I)OCCF 34a_100010083724_100011217306 [0,2,0,0,0,0|1,0,0]=3 9907 B12R1.25 Cc1cccc(c1I)OCCF 7a_100010083724_100011217306 [0,2,0,0,0,0|1,0,0]=3 9908 B12R1.25 Cc1cccc(c1I)OCCO 34a_100010083724_100000211926 [0,2,0,0,0,0|0,0,0]=2 9909 B12R1.25 Cc1cccc(c1I)OCCO 7a_100010083724_100000211926 [0,2,0,0,0,0|0,0,0]=2 9910 B12R1.25 Cc1cccc(c1N)OCC#N 7a_100000743429_100011215382 [0,2,0,0,0,0|1,0,1]=4 9911 B12R1.25 Cc1cccc(c1N)OCC=O 34a_100000743429_200009817547 [0,2,0,0,0,0|0,0,2]=4 9912 B12R1.25 Cc1cccc(c1N)OCC=O 7a_100000743429_200015260668 [0,2,0,0,0,0|0,0,2]=4 9913 B12R1.25 Cc1cccc(c1N)OCCF 34a_100000743429_100011217306 [0,2,0,0,0,0|1,0,0]=3 9914 B12R1.25 Cc1cccc(c1N)OCCF 7a_100000743429_100011217306 [0,2,0,0,0,0|1,0,0]=3 9915 B12R1.25 Cc1cccc(c1N)OCCO 34a_100000743429_100000211926 [0,2,0,0,0,0|0,0,0]=2 9916 B12R1.25 Cc1cccc(c1N)OCCO 7a_100000743429_100000211926 [0,2,0,0,0,0|0,0,0]=2 9917 B12R1.25 Cc1cccc(c1N)SCCF 62a_100011217306_100011834072 [0,2,0,0,0,0|1,1,0]=4 9918 B12R1.25 Cc1cccc(c1N)SCCF 62a_100011834072_100011217306 [0,2,0,0,0,0|1,1,0]=4 9919 B12R1.25 Cc1cccc(c1N)SCCO 62a_100000211926_100011834072 [0,2,0,0,0,0|0,1,0]=3 9920 B12R1.25 Cc1cccc(c1N)SCCO 62a_100011834072_100000211926 [0,2,0,0,0,0|0,1,0]=3 9921 B12R1.25 Cc1cccc(c1O)NCCF 34a_100000756359_100011217306 [0,2,0,0,0,0|2,0,0]=4 9922 B12R1.25 Cc1cccc(c1O)NCCO 34a_100000756359_100000211926 [0,2,0,0,0,0|1,0,0]=3 9923 B12R1.25 Cc1cccc(c1O)SCCF 62a_100009817157_100011217306 [0,2,0,0,0,0|1,1,0]=4 9924 B12R1.25 Cc1cccc(c1O)SCCF 62a_100011217306_100009817157 [0,2,0,0,0,0|1,1,0]=4 9925 B12R1.25 Cc1cccc(c1O)SCCO 62a_100000211926_100009817157 [0,2,0,0,0,0|0,1,0]=3 9926 B12R1.25 Cc1cccc(c1O)SCCO 62a_100009817157_100000211926 [0,2,0,0,0,0|0,1,0]=3 9927 B12R1.25 Cc1ccnc(c1Br)OCCF 34a_100012000493_100011217306 [0,2,0,0,0,0|2,0,0]=4 9928 B12R1.25 Cc1ccnc(c1Br)OCCO 34a_100012000493_100000211926 [0,2,0,0,0,0|1,0,0]=3 9929 B12R1.25 Cc1ccnc(c1C)SCCO 62a_100000211926_100009847204 [0,2,0,0,0,0|1,1,0]=4 9930 B12R1.25 Cc1ccnc(c1C)SCCO 62a_100009847204_100000211926 [0,2,0,0,0,0|1,1,0]=4 9931 B12R1.25 Cc1ccnc(c1F)SCCO 62a_100000211926_100009817629 [0,2,0,0,0,0|1,1,0]=4 9932 B12R1.25 Cc1ccnc(c1F)SCCO 62a_100009817629_100000211926 [0,2,0,0,0,0|1,1,0]=4 9933 B12R1.25 Cc1ccnc(c1N)SCCO 62a_100000211926_100000763560 [0,2,0,0,0,0|1,1,0]=4 9934 B12R1.25 Cc1ccnc(c1N)SCCO 62a_100000763560_100000211926 [0,2,0,0,0,0|1,1,0]=4 9935 B12R1.25 Cc1ccnc(c1O)SCCO 62a_100000211926_100000696282 [0,2,0,0,0,0|1,1,0]=4 9936 B12R1.25 Cc1cncc(c1C)SCCO 62a_100000211926_100009864703 [0,2,0,0,0,0|1,1,0]=4 9937 B12R1.25 Cc1cncc(c1C)SCCO 62a_100009864703_100000211926 [0,2,0,0,0,0|1,1,0]=4 9938 B12R1.25 Cc1cncc(c1N)SCCO 62a_100000211926_100009818025 [0,2,0,0,0,0|1,1,0]=4 9939 B12R1.25 Cc1cncc(c1N)SCCO 62a_100009818025_100000211926 [0,2,0,0,0,0|1,1,0]=4 9940 B12R1.25 Cc1nccc(c1C)SCCO 62a_100000211926_100009846815 [0,2,0,0,0,0|1,1,0]=4 9941 B12R1.25 Cc1nccc(c1C)SCCO 62a_100009846815_100000211926 [0,2,0,0,0,0|1,1,0]=4 9942 B12R1.25 Cc1nccc(c1Cl)NCCO 27a_100000210304_100000698670 [0,2,0,0,0,0|2,0,0]=4 9943 B12R1.25 Cc1nccc(c1Cl)SCCO 62a_100000211926_100000698670 [0,2,0,0,0,0|1,1,0]=4 9944 B12R1.25 Cc1nccc(c1Cl)SCCO 62a_100000698670_100000211926 [0,2,0,0,0,0|1,1,0]=4 9945 B12R1.25 Cc1nccc(c1F)NCCO 27a_100000210304_100009849794 [0,2,0,0,0,0|2,0,0]=4 9946 B12R1.25 Cc1nccc(c1F)SCCO 62a_100000211926_100009849794 [0,2,0,0,0,0|1,1,0]=4 9947 B12R1.25 Cc1nccc(c1F)SCCO 62a_100009849794_100000211926 [0,2,0,0,0,0|1,1,0]=4 9948 B12R1.25 Cc1nccc(c1N)SCCO 62a_100000211926_100009885578 [0,2,0,0,0,0|1,1,0]=4 9949 B12R1.25 Cc1nccc(c1N)SCCO 62a_100009885578_100000211926 [0,2,0,0,0,0|1,1,0]=4 9950 B12R1.25 Cc1ncnc(c1C)OCCO 34a_100000697798_100000211926 [0,2,0,0,0,0|2,0,0]=4 9951 B12R1.25 Cn1c(cccc1=O)SCCO 62a_100000211926_100000726605 [0,2,0,0,0,0|1,1,0]=4 9952 B12R1.25 Cn1c(cccc1=O)SCCO 62a_100000726605_100000211926 [0,2,0,0,0,0|1,1,0]=4 9953 B12R1.25 Cn1cccc(c1=O)OCCF 34a_100000117616_100011217306 [0,2,0,0,0,0|2,0,0]=4 9954 B12R1.25 Cn1cccc(c1=O)OCCF 7a_100000117616_100011217306 [0,2,0,0,0,0|2,0,0]=4 9955 B12R1.25 Cn1cccc(c1=O)OCCO 34a_100000117616_100000211926 [0,2,0,0,0,0|1,0,0]=3 9956 B12R1.25 Cn1cccc(c1=O)OCCO 7a_100000117616_100000211926 [0,2,0,0,0,0|1,0,0]=3 9957 B12R1.25 Cn1cccc(c1=O)SCCO 62a_100000211926_100000687173 [0,2,0,0,0,0|1,1,0]=4 9958 B12R1.25 Cn1cccc(c1=O)SCCO 62a_100000687173_100000211926 [0,2,0,0,0,0|1,1,0]=4 9959 B12R1.25 FCCNc1cccc(c1Br)Cl 34a_100000687072_100011217306 [0,2,0,0,0,0|2,0,0]=4 9960 B12R1.25 FCCNc1cccc(c1Br)F 34a_100011934729_100011217306 [0,2,0,0,0,0|2,0,0]=4 9961 B12R1.25 FCCNc1cccc(c1Cl)Br 34a_100000687075_100011217306 [0,2,0,0,0,0|2,0,0]=4 9962 B12R1.25 FCCNc1cccc(c1Cl)Cl 34a_100000185733_100011217306 [0,2,0,0,0,0|2,0,0]=4 9963 B12R1.25 FCCNc1cccc(c1Cl)F 34a_100000692321_100011217306 [0,2,0,0,0,0|2,0,0]=4 9964 B12R1.25 FCCNc1cccc(c1F)Br 2230a_100011935091_100011217306 [0,2,0,0,0,0|2,0,0]=4 9965 B12R1.25 FCCNc1cccc(c1F)Br 34a_100011935091_100011217306 [0,2,0,0,0,0|2,0,0]=4 9966 B12R1.25 FCCNc1cccc(c1F)Cl 2230a_100000199060_100011217306 [0,2,0,0,0,0|2,0,0]=4 9967 B12R1.25 FCCNc1cccc(c1F)Cl 34a_100000199060_100011217306 [0,2,0,0,0,0|2,0,0]=4 9968 B12R1.25 FCCNc1cccc(c1F)F 34a_100000743855_100011217306 [0,2,0,0,0,0|2,0,0]=4 9969 B12R1.25 FCCNc1cccc(c1I)Br 34a_100020590159_100011217306 [0,2,0,0,0,0|2,0,0]=4 9970 B12R1.25 FCCNc1cccc(c1I)Cl 34a_100000049713_100011217306 [0,2,0,0,0,0|2,0,0]=4 9971 B12R1.25 FCCNc1cccc(c1I)F 34a_100000690935_100011217306 [0,2,0,0,0,0|2,0,0]=4 9972 B12R1.25 FCCOc1cccc(c1Br)Br 34a_100010187966_100011217306 [0,2,0,0,0,0|1,0,0]=3 9973 B12R1.25 FCCOc1cccc(c1Br)Br 7a_100010187966_100011217306 [0,2,0,0,0,0|1,0,0]=3 9974 B12R1.25 FCCOc1cccc(c1Br)Cl 34a_100012348804_100011217306 [0,2,0,0,0,0|1,0,0]=3 9975 B12R1.25 FCCOc1cccc(c1Br)Cl 7a_100012348804_100011217306 [0,2,0,0,0,0|1,0,0]=3 9976 B12R1.25 FCCOc1cccc(c1Br)F 34a_100009820682_100011217306 [0,2,0,0,0,0|1,0,0]=3 9977 B12R1.25 FCCOc1cccc(c1Br)F 7a_100009820682_100011217306 [0,2,0,0,0,0|1,0,0]=3 9978 B12R1.25 FCCOc1cccc(c1Br)I 34a_100010187914_100011217306 [0,2,0,0,0,0|1,0,0]=3 9979 B12R1.25 FCCOc1cccc(c1Br)I 7a_100010187914_100011217306 [0,2,0,0,0,0|1,0,0]=3 9980 B12R1.25 FCCOc1cccc(c1Cl)Br 34a_100010187913_100011217306 [0,2,0,0,0,0|1,0,0]=3 9981 B12R1.25 FCCOc1cccc(c1Cl)Br 7a_100010187913_100011217306 [0,2,0,0,0,0|1,0,0]=3 9982 B12R1.25 FCCOc1cccc(c1Cl)Cl 34a_100000211076_100011217306 [0,2,0,0,0,0|1,0,0]=3 9983 B12R1.25 FCCOc1cccc(c1Cl)Cl 7a_100000211076_100011217306 [0,2,0,0,0,0|1,0,0]=3 9984 B12R1.25 FCCOc1cccc(c1Cl)F 34a_100000087408_100011217306 [0,2,0,0,0,0|1,0,0]=3 9985 B12R1.25 FCCOc1cccc(c1Cl)F 7a_100000087408_100011217306 [0,2,0,0,0,0|1,0,0]=3 9986 B12R1.25 FCCOc1cccc(c1Cl)I 34a_100000049636_100011217306 [0,2,0,0,0,0|1,0,0]=3 9987 B12R1.25 FCCOc1cccc(c1Cl)I 7a_100000049636_100011217306 [0,2,0,0,0,0|1,0,0]=3 9988 B12R1.25 FCCOc1cccc(c1F)Br 34a_100009817021_100011217306 [0,2,0,0,0,0|1,0,0]=3 9989 B12R1.25 FCCOc1cccc(c1F)Br 7a_100009817021_100011217306 [0,2,0,0,0,0|1,0,0]=3 9990 B12R1.25 FCCOc1cccc(c1F)Cl 34a_100000687438_100011217306 [0,2,0,0,0,0|1,0,0]=3 9991 B12R1.25 FCCOc1cccc(c1F)Cl 7a_100000687438_100011217306 [0,2,0,0,0,0|1,0,0]=3 9992 B12R1.25 FCCOc1cccc(c1F)F 34a_100000751161_100011217306 [0,2,0,0,0,0|1,0,0]=3 9993 B12R1.25 FCCOc1cccc(c1F)F 7a_100000751161_100011217306 [0,2,0,0,0,0|1,0,0]=3 9994 B12R1.25 FCCOc1cccc(c1I)Br 34a_100010187912_100011217306 [0,2,0,0,0,0|1,0,0]=3 9995 B12R1.25 FCCOc1cccc(c1I)Br 7a_100010187912_100011217306 [0,2,0,0,0,0|1,0,0]=3 9996 B12R1.25 FCCOc1cccc(c1I)Cl 34a_100000050174_100011217306 [0,2,0,0,0,0|1,0,0]=3 9997 B12R1.25 FCCOc1cccc(c1I)Cl 7a_100000050174_100011217306 [0,2,0,0,0,0|1,0,0]=3 9998 B12R1.25 FCCOc1cccc(c1I)F 34a_100000690913_100011217306 [0,2,0,0,0,0|1,0,0]=3 9999 B12R1.25 FCCOc1cccc(c1I)F 7a_100000690913_100011217306 [0,2,0,0,0,0|1,0,0]=3 10000 B12R1.25 FCCOc1ccnc(c1Br)Cl 34a_100010136240_100011217306 [0,2,0,0,0,0|2,0,0]=4 10001 B12R1.25 FCCOc1ccnc(c1Cl)Cl 34a_100009860235_100011217306 [0,2,0,0,0,0|2,0,0]=4 10002 B12R1.25 FCCOc1ccnc(c1F)Br 34a_100009876375_100011217306 [0,2,0,0,0,0|2,0,0]=4 10003 B12R1.25 FCCOc1ccnc(c1F)Cl 34a_100009856406_100011217306 [0,2,0,0,0,0|2,0,0]=4 10004 B12R1.25 FCCSc1cccc(c1Br)Br 62a_100010175083_100011217306 [0,2,0,0,0,0|1,1,0]=4 10005 B12R1.25 FCCSc1cccc(c1Br)Br 62a_100011217306_100010175083 [0,2,0,0,0,0|1,1,0]=4 10006 B12R1.25 FCCSc1cccc(c1Br)Cl 62a_100011217306_100014021842 [0,2,0,0,0,0|1,1,0]=4 10007 B12R1.25 FCCSc1cccc(c1Br)Cl 62a_100014021842_100011217306 [0,2,0,0,0,0|1,1,0]=4 10008 B12R1.25 FCCSc1cccc(c1Br)F 62a_100010202630_100011217306 [0,2,0,0,0,0|1,1,0]=4 10009 B12R1.25 FCCSc1cccc(c1Br)F 62a_100011217306_100010202630 [0,2,0,0,0,0|1,1,0]=4 10010 B12R1.25 FCCSc1cccc(c1Cl)Br 62a_100010142854_100011217306 [0,2,0,0,0,0|1,1,0]=4 10011 B12R1.25 FCCSc1cccc(c1Cl)Br 62a_100011217306_100010142854 [0,2,0,0,0,0|1,1,0]=4 10012 B12R1.25 FCCSc1cccc(c1Cl)Cl 62a_100011215384_100011217306 [0,2,0,0,0,0|1,1,0]=4 10013 B12R1.25 FCCSc1cccc(c1Cl)Cl 62a_100011217306_100011215384 [0,2,0,0,0,0|1,1,0]=4 10014 B12R1.25 FCCSc1cccc(c1Cl)F 62a_100011217306_200010234923 [0,2,0,0,0,0|1,1,0]=4 10015 B12R1.25 FCCSc1cccc(c1Cl)F 62a_200010234923_100011217306 [0,2,0,0,0,0|1,1,0]=4 10016 B12R1.25 FCCSc1cccc(c1F)Br 62a_100000702267_100011217306 [0,2,0,0,0,0|1,1,0]=4 10017 B12R1.25 FCCSc1cccc(c1F)Br 62a_100011217306_100000702267 [0,2,0,0,0,0|1,1,0]=4 10018 B12R1.25 FCCSc1cccc(c1F)Cl 62a_100011217306_100011217346 [0,2,0,0,0,0|1,1,0]=4 10019 B12R1.25 FCCSc1cccc(c1F)Cl 62a_100011217346_100011217306 [0,2,0,0,0,0|1,1,0]=4 10020 B12R1.25 FCCSc1cccc(c1F)F 62a_100000694657_100011217306 [0,2,0,0,0,0|1,1,0]=4 10021 B12R1.25 FCCSc1cccc(c1F)F 62a_100011217306_100000694657 [0,2,0,0,0,0|1,1,0]=4 10022 B12R1.25 N#CCOc1cccc(c1Br)Br 7a_100010187966_100011215382 [0,2,0,0,0,0|1,0,1]=4 10023 B12R1.25 N#CCOc1cccc(c1Br)Cl 7a_100012348804_100011215382 [0,2,0,0,0,0|1,0,1]=4 10024 B12R1.25 N#CCOc1cccc(c1Br)F 7a_100009820682_100011215382 [0,2,0,0,0,0|1,0,1]=4 10025 B12R1.25 N#CCOc1cccc(c1Br)I 7a_100010187914_100011215382 [0,2,0,0,0,0|1,0,1]=4 10026 B12R1.25 N#CCOc1cccc(c1Br)N 7a_100012183704_100011215382 [0,2,0,0,0,0|1,0,1]=4 10027 B12R1.25 N#CCOc1cccc(c1Cl)Br 7a_100010187913_100011215382 [0,2,0,0,0,0|1,0,1]=4 10028 B12R1.25 N#CCOc1cccc(c1Cl)Cl 7a_100000211076_100011215382 [0,2,0,0,0,0|1,0,1]=4 10029 B12R1.25 N#CCOc1cccc(c1Cl)F 7a_100000087408_100011215382 [0,2,0,0,0,0|1,0,1]=4 10030 B12R1.25 N#CCOc1cccc(c1Cl)I 7a_100000049636_100011215382 [0,2,0,0,0,0|1,0,1]=4 10031 B12R1.25 N#CCOc1cccc(c1Cl)N 7a_100012002038_100011215382 [0,2,0,0,0,0|1,0,1]=4 10032 B12R1.25 N#CCOc1cccc(c1F)Br 7a_100009817021_100011215382 [0,2,0,0,0,0|1,0,1]=4 10033 B12R1.25 N#CCOc1cccc(c1F)Cl 7a_100000687438_100011215382 [0,2,0,0,0,0|1,0,1]=4 10034 B12R1.25 N#CCOc1cccc(c1F)F 7a_100000751161_100011215382 [0,2,0,0,0,0|1,0,1]=4 10035 B12R1.25 N#CCOc1cccc(c1I)Br 7a_100010187912_100011215382 [0,2,0,0,0,0|1,0,1]=4 10036 B12R1.25 N#CCOc1cccc(c1I)Cl 7a_100000050174_100011215382 [0,2,0,0,0,0|1,0,1]=4 10037 B12R1.25 N#CCOc1cccc(c1I)F 7a_100000690913_100011215382 [0,2,0,0,0,0|1,0,1]=4 10038 B12R1.25 N#CCOc1cccc(c1N)Br 7a_100011934926_100011215382 [0,2,0,0,0,0|1,0,1]=4 10039 B12R1.25 N#CCOc1cccc(c1N)Cl 7a_100012022510_100011215382 [0,2,0,0,0,0|1,0,1]=4 10040 B12R1.25 N#CCOc1cccc(c1N)F 7a_100020591140_100011215382 [0,2,0,0,0,0|1,0,1]=4 10041 B12R1.25 N#CCOc1cccc(c1N)I 7a_200000049512_100011215382 [0,2,0,0,0,0|1,0,1]=4 10042 B12R1.25 Nc1c(cccc1OCC=O)Br 34a_100011934926_200009817547 [0,2,0,0,0,0|0,0,2]=4 10043 B12R1.25 Nc1c(cccc1OCC=O)Br 7a_100011934926_200015260668 [0,2,0,0,0,0|0,0,2]=4 10044 B12R1.25 Nc1c(cccc1OCC=O)Cl 34a_100012022510_200009817547 [0,2,0,0,0,0|0,0,2]=4 10045 B12R1.25 Nc1c(cccc1OCC=O)Cl 7a_100012022510_200015260668 [0,2,0,0,0,0|0,0,2]=4 10046 B12R1.25 Nc1c(cccc1OCC=O)F 34a_100020591140_200009817547 [0,2,0,0,0,0|0,0,2]=4 10047 B12R1.25 Nc1c(cccc1OCC=O)F 7a_100020591140_200015260668 [0,2,0,0,0,0|0,0,2]=4 10048 B12R1.25 Nc1c(cccc1OCC=O)I 34a_200000049512_200009817547 [0,2,0,0,0,0|0,0,2]=4 10049 B12R1.25 Nc1c(cccc1OCC=O)I 7a_200000049512_200015260668 [0,2,0,0,0,0|0,0,2]=4 10050 B12R1.25 Nc1c(cccc1OCCF)Br 34a_100011934926_100011217306 [0,2,0,0,0,0|1,0,0]=3 10051 B12R1.25 Nc1c(cccc1OCCF)Br 7a_100011934926_100011217306 [0,2,0,0,0,0|1,0,0]=3 10052 B12R1.25 Nc1c(cccc1OCCF)Cl 34a_100012022510_100011217306 [0,2,0,0,0,0|1,0,0]=3 10053 B12R1.25 Nc1c(cccc1OCCF)Cl 7a_100012022510_100011217306 [0,2,0,0,0,0|1,0,0]=3 10054 B12R1.25 Nc1c(cccc1OCCF)F 34a_100020591140_100011217306 [0,2,0,0,0,0|1,0,0]=3 10055 B12R1.25 Nc1c(cccc1OCCF)F 7a_100020591140_100011217306 [0,2,0,0,0,0|1,0,0]=3 10056 B12R1.25 Nc1c(cccc1OCCF)I 34a_200000049512_100011217306 [0,2,0,0,0,0|1,0,0]=3 10057 B12R1.25 Nc1c(cccc1OCCF)I 7a_200000049512_100011217306 [0,2,0,0,0,0|1,0,0]=3 10058 B12R1.25 Nc1c(cccc1OCCO)Br 34a_100011934926_100000211926 [0,2,0,0,0,0|0,0,0]=2 10059 B12R1.25 Nc1c(cccc1OCCO)Br 7a_100011934926_100000211926 [0,2,0,0,0,0|0,0,0]=2 10060 B12R1.25 Nc1c(cccc1OCCO)Cl 34a_100012022510_100000211926 [0,2,0,0,0,0|0,0,0]=2 10061 B12R1.25 Nc1c(cccc1OCCO)Cl 7a_100012022510_100000211926 [0,2,0,0,0,0|0,0,0]=2 10062 B12R1.25 Nc1c(cccc1OCCO)F 34a_100020591140_100000211926 [0,2,0,0,0,0|0,0,0]=2 10063 B12R1.25 Nc1c(cccc1OCCO)F 7a_100020591140_100000211926 [0,2,0,0,0,0|0,0,0]=2 10064 B12R1.25 Nc1c(cccc1OCCO)I 34a_200000049512_100000211926 [0,2,0,0,0,0|0,0,0]=2 10065 B12R1.25 Nc1c(cccc1OCCO)I 7a_200000049512_100000211926 [0,2,0,0,0,0|0,0,0]=2 10066 B12R1.25 Nc1c(cccc1SCCF)Br 62a_100010146558_100011217306 [0,2,0,0,0,0|1,1,0]=4 10067 B12R1.25 Nc1c(cccc1SCCF)Br 62a_100011217306_100010146558 [0,2,0,0,0,0|1,1,0]=4 10068 B12R1.25 Nc1c(cccc1SCCF)Cl 62a_100010190421_100011217306 [0,2,0,0,0,0|1,1,0]=4 10069 B12R1.25 Nc1c(cccc1SCCF)Cl 62a_100011217306_100010190421 [0,2,0,0,0,0|1,1,0]=4 10070 B12R1.25 Nc1c(cccc1SCCF)F 62a_100000042321_100011217306 [0,2,0,0,0,0|1,1,0]=4 10071 B12R1.25 Nc1c(cccc1SCCF)F 62a_100011217306_100000042321 [0,2,0,0,0,0|1,1,0]=4 10072 B12R1.25 Nc1c(cccc1SCCF)O 62a_100011217306_100011934926 [0,2,0,0,0,0|1,1,0]=4 10073 B12R1.25 Nc1c(cccc1SCCO)Br 62a_100000211926_100010146558 [0,2,0,0,0,0|0,1,0]=3 10074 B12R1.25 Nc1c(cccc1SCCO)Br 62a_100010146558_100000211926 [0,2,0,0,0,0|0,1,0]=3 10075 B12R1.25 Nc1c(cccc1SCCO)Cl 62a_100000211926_100010190421 [0,2,0,0,0,0|0,1,0]=3 10076 B12R1.25 Nc1c(cccc1SCCO)Cl 62a_100010190421_100000211926 [0,2,0,0,0,0|0,1,0]=3 10077 B12R1.25 Nc1c(cccc1SCCO)F 62a_100000042321_100000211926 [0,2,0,0,0,0|0,1,0]=3 10078 B12R1.25 Nc1c(cccc1SCCO)F 62a_100000211926_100000042321 [0,2,0,0,0,0|0,1,0]=3 10079 B12R1.25 Nc1c(cccc1SCCO)O 62a_100000211926_100011934926 [0,2,0,0,0,0|0,1,0]=3 10080 B12R1.25 Nc1c(ccnc1Cl)OCCF 34a_100000128729_100011217306 [0,2,0,0,0,0|2,0,0]=4 10081 B12R1.25 Nc1c(ccnc1Cl)OCCO 34a_100000128729_100000211926 [0,2,0,0,0,0|1,0,0]=3 10082 B12R1.25 Nc1c(cncc1SCCO)Br 62a_100000211926_100011290786 [0,2,0,0,0,0|1,1,0]=4 10083 B12R1.25 Nc1c(cncc1SCCO)Br 62a_100011290786_100000211926 [0,2,0,0,0,0|1,1,0]=4 10084 B12R1.25 Nc1c(cncc1SCCO)Cl 62a_100000211926_100000684942 [0,2,0,0,0,0|1,1,0]=4 10085 B12R1.25 Nc1c(cncc1SCCO)Cl 62a_100000684942_100000211926 [0,2,0,0,0,0|1,1,0]=4 10086 B12R1.25 Nc1c(cncc1SCCO)F 62a_100000211926_100009880649 [0,2,0,0,0,0|1,1,0]=4 10087 B12R1.25 Nc1c(cncc1SCCO)F 62a_100009880649_100000211926 [0,2,0,0,0,0|1,1,0]=4 10088 B12R1.25 Nc1cccc(c1Br)OCC=O 34a_100012183704_200009817547 [0,2,0,0,0,0|0,0,2]=4 10089 B12R1.25 Nc1cccc(c1Br)OCC=O 7a_100012183704_200015260668 [0,2,0,0,0,0|0,0,2]=4 10090 B12R1.25 Nc1cccc(c1Br)OCCF 34a_100012183704_100011217306 [0,2,0,0,0,0|1,0,0]=3 10091 B12R1.25 Nc1cccc(c1Br)OCCF 7a_100012183704_100011217306 [0,2,0,0,0,0|1,0,0]=3 10092 B12R1.25 Nc1cccc(c1Br)OCCO 34a_100012183704_100000211926 [0,2,0,0,0,0|0,0,0]=2 10093 B12R1.25 Nc1cccc(c1Br)OCCO 7a_100012183704_100000211926 [0,2,0,0,0,0|0,0,0]=2 10094 B12R1.25 Nc1cccc(c1Cl)OCC=O 34a_100012002038_200009817547 [0,2,0,0,0,0|0,0,2]=4 10095 B12R1.25 Nc1cccc(c1Cl)OCC=O 7a_100012002038_200015260668 [0,2,0,0,0,0|0,0,2]=4 10096 B12R1.25 Nc1cccc(c1Cl)OCCF 34a_100012002038_100011217306 [0,2,0,0,0,0|1,0,0]=3 10097 B12R1.25 Nc1cccc(c1Cl)OCCF 7a_100012002038_100011217306 [0,2,0,0,0,0|1,0,0]=3 10098 B12R1.25 Nc1cccc(c1Cl)OCCO 34a_100012002038_100000211926 [0,2,0,0,0,0|0,0,0]=2 10099 B12R1.25 Nc1cccc(c1Cl)OCCO 7a_100012002038_100000211926 [0,2,0,0,0,0|0,0,0]=2 10100 B12R1.25 Nc1cccc(c1F)SCCF 62a_100011217306_100011935091 [0,2,0,0,0,0|1,1,0]=4 10101 B12R1.25 Nc1cccc(c1F)SCCF 62a_100011935091_100011217306 [0,2,0,0,0,0|1,1,0]=4 10102 B12R1.25 Nc1cccc(c1F)SCCO 62a_100000211926_100011935091 [0,2,0,0,0,0|0,1,0]=3 10103 B12R1.25 Nc1cccc(c1F)SCCO 62a_100011935091_100000211926 [0,2,0,0,0,0|0,1,0]=3 10104 B12R1.25 Nc1cccc(c1N)OCC=O 34a_100000033209_200009817547 [0,2,0,0,0,0|0,0,2]=4 10105 B12R1.25 Nc1cccc(c1N)OCCF 34a_100000033209_100011217306 [0,2,0,0,0,0|1,0,0]=3 10106 B12R1.25 Nc1cccc(c1N)OCCO 34a_100000033209_100000211926 [0,2,0,0,0,0|0,0,0]=2 10107 B12R1.25 Nc1cccc(c1N)SCCF 62a_100015191791_100011217306 [0,2,0,0,0,0|1,1,0]=4 10108 B12R1.25 Nc1cccc(c1N)SCCO 62a_100015191791_100000211926 [0,2,0,0,0,0|0,1,0]=3 10109 B12R1.25 Nc1cccc(c1O)SCCF 62a_100011217306_100010084371 [0,2,0,0,0,0|1,1,0]=4 10110 B12R1.25 Nc1cccc(c1O)SCCF 62a_100011934915_100011217306 [0,2,0,0,0,0|1,1,0]=4 10111 B12R1.25 Nc1cccc(c1O)SCCO 62a_100000211926_100010084371 [0,2,0,0,0,0|0,1,0]=3 10112 B12R1.25 Nc1cccc(c1O)SCCO 62a_100011934915_100000211926 [0,2,0,0,0,0|0,1,0]=3 10113 B12R1.25 Nc1ccnc(c1Cl)OCCF 34a_200000093555_100011217306 [0,2,0,0,0,0|2,0,0]=4 10114 B12R1.25 Nc1ccnc(c1Cl)OCCO 34a_200000093555_100000211926 [0,2,0,0,0,0|1,0,0]=3 10115 B12R1.25 Nc1ccnc(c1F)SCCO 62a_100000211926_100015205195 [0,2,0,0,0,0|1,1,0]=4 10116 B12R1.25 Nc1ccnc(c1F)SCCO 62a_100015205195_100000211926 [0,2,0,0,0,0|1,1,0]=4 10117 B12R1.25 Nc1ccnc(c1N)SCCO 62a_100000085203_100000211926 [0,2,0,0,0,0|1,1,0]=4 10118 B12R1.25 Nc1ccnc(c1N)SCCO 62a_100000211926_100000085203 [0,2,0,0,0,0|1,1,0]=4 10119 B12R1.25 Nc1ccnc(c1O)SCCO 62a_100000211926_100009844647 [0,2,0,0,0,0|1,1,0]=4 10120 B12R1.25 Nc1cncc(c1N)SCCO 62a_100000211926_100000694774 [0,2,0,0,0,0|1,1,0]=4 10121 B12R1.25 Nc1cncc(c1N)SCCO 62a_100000694774_100000211926 [0,2,0,0,0,0|1,1,0]=4 10122 B12R1.25 Nc1cncc(c1O)SCCO 62a_100000211926_100000694263 [0,2,0,0,0,0|1,1,0]=4 10123 B12R1.25 Nc1cncc(c1O)SCCO 62a_100000694263_100000211926 [0,2,0,0,0,0|1,1,0]=4 10124 B12R1.25 Nc1nccc(c1Cl)SCCO 62a_100000211926_100010735111 [0,2,0,0,0,0|1,1,0]=4 10125 B12R1.25 Nc1nccc(c1Cl)SCCO 62a_100010735111_100000211926 [0,2,0,0,0,0|1,1,0]=4 10126 B12R1.25 Nc1nccc(c1F)SCCO 62a_100000211926_100010077785 [0,2,0,0,0,0|1,1,0]=4 10127 B12R1.25 Nc1nccc(c1F)SCCO 62a_100010077785_100000211926 [0,2,0,0,0,0|1,1,0]=4 10128 B12R1.25 Nc1nccc(c1N)SCCO 62a_100000124095_100000211926 [0,2,0,0,0,0|1,1,0]=4 10129 B12R1.25 O=CCOc1cccc(c1Br)Br 34a_100010187966_200009817547 [0,2,0,0,0,0|0,0,2]=4 10130 B12R1.25 O=CCOc1cccc(c1Br)Br 7a_100010187966_200015260668 [0,2,0,0,0,0|0,0,2]=4 10131 B12R1.25 O=CCOc1cccc(c1Br)Cl 34a_100012348804_200009817547 [0,2,0,0,0,0|0,0,2]=4 10132 B12R1.25 O=CCOc1cccc(c1Br)Cl 7a_100012348804_200015260668 [0,2,0,0,0,0|0,0,2]=4 10133 B12R1.25 O=CCOc1cccc(c1Br)F 34a_100009820682_200009817547 [0,2,0,0,0,0|0,0,2]=4 10134 B12R1.25 O=CCOc1cccc(c1Br)F 7a_100009820682_200015260668 [0,2,0,0,0,0|0,0,2]=4 10135 B12R1.25 O=CCOc1cccc(c1Br)I 34a_100010187914_200009817547 [0,2,0,0,0,0|0,0,2]=4 10136 B12R1.25 O=CCOc1cccc(c1Br)I 7a_100010187914_200015260668 [0,2,0,0,0,0|0,0,2]=4 10137 B12R1.25 O=CCOc1cccc(c1Cl)Br 34a_100010187913_200009817547 [0,2,0,0,0,0|0,0,2]=4 10138 B12R1.25 O=CCOc1cccc(c1Cl)Br 7a_100010187913_200015260668 [0,2,0,0,0,0|0,0,2]=4 10139 B12R1.25 O=CCOc1cccc(c1Cl)Cl 34a_100000211076_200009817547 [0,2,0,0,0,0|0,0,2]=4 10140 B12R1.25 O=CCOc1cccc(c1Cl)Cl 7a_100000211076_200015260668 [0,2,0,0,0,0|0,0,2]=4 10141 B12R1.25 O=CCOc1cccc(c1Cl)F 34a_100000087408_200009817547 [0,2,0,0,0,0|0,0,2]=4 10142 B12R1.25 O=CCOc1cccc(c1Cl)F 7a_100000087408_200015260668 [0,2,0,0,0,0|0,0,2]=4 10143 B12R1.25 O=CCOc1cccc(c1Cl)I 34a_100000049636_200009817547 [0,2,0,0,0,0|0,0,2]=4 10144 B12R1.25 O=CCOc1cccc(c1Cl)I 7a_100000049636_200015260668 [0,2,0,0,0,0|0,0,2]=4 10145 B12R1.25 O=CCOc1cccc(c1F)Br 34a_100009817021_200009817547 [0,2,0,0,0,0|0,0,2]=4 10146 B12R1.25 O=CCOc1cccc(c1F)Br 7a_100009817021_200015260668 [0,2,0,0,0,0|0,0,2]=4 10147 B12R1.25 O=CCOc1cccc(c1F)Cl 34a_100000687438_200009817547 [0,2,0,0,0,0|0,0,2]=4 10148 B12R1.25 O=CCOc1cccc(c1F)Cl 7a_100000687438_200015260668 [0,2,0,0,0,0|0,0,2]=4 10149 B12R1.25 O=CCOc1cccc(c1F)F 34a_100000751161_200009817547 [0,2,0,0,0,0|0,0,2]=4 10150 B12R1.25 O=CCOc1cccc(c1F)F 7a_100000751161_200015260668 [0,2,0,0,0,0|0,0,2]=4 10151 B12R1.25 O=CCOc1cccc(c1I)Br 34a_100010187912_200009817547 [0,2,0,0,0,0|0,0,2]=4 10152 B12R1.25 O=CCOc1cccc(c1I)Br 7a_100010187912_200015260668 [0,2,0,0,0,0|0,0,2]=4 10153 B12R1.25 O=CCOc1cccc(c1I)Cl 34a_100000050174_200009817547 [0,2,0,0,0,0|0,0,2]=4 10154 B12R1.25 O=CCOc1cccc(c1I)Cl 7a_100000050174_200015260668 [0,2,0,0,0,0|0,0,2]=4 10155 B12R1.25 O=CCOc1cccc(c1I)F 34a_100000690913_200009817547 [0,2,0,0,0,0|0,0,2]=4 10156 B12R1.25 O=CCOc1cccc(c1I)F 7a_100000690913_200015260668 [0,2,0,0,0,0|0,0,2]=4 10157 B12R1.25 OCCNc1cccc(c1Br)Cl 34a_100000687072_100000211926 [0,2,0,0,0,0|1,0,0]=3 10158 B12R1.25 OCCNc1cccc(c1Br)F 34a_100011934729_100000211926 [0,2,0,0,0,0|1,0,0]=3 10159 B12R1.25 OCCNc1cccc(c1Br)O 34a_100012183704_100000211926 [0,2,0,0,0,0|1,0,0]=3 10160 B12R1.25 OCCNc1cccc(c1Br)O 7a_100012183704_100000211926 [0,2,0,0,0,0|1,0,0]=3 10161 B12R1.25 OCCNc1cccc(c1Cl)Br 34a_100000687075_100000211926 [0,2,0,0,0,0|1,0,0]=3 10162 B12R1.25 OCCNc1cccc(c1Cl)Cl 34a_100000185733_100000211926 [0,2,0,0,0,0|1,0,0]=3 10163 B12R1.25 OCCNc1cccc(c1Cl)F 34a_100000692321_100000211926 [0,2,0,0,0,0|1,0,0]=3 10164 B12R1.25 OCCNc1cccc(c1Cl)O 34a_100012002038_100000211926 [0,2,0,0,0,0|1,0,0]=3 10165 B12R1.25 OCCNc1cccc(c1Cl)O 7a_100012002038_100000211926 [0,2,0,0,0,0|1,0,0]=3 10166 B12R1.25 OCCNc1cccc(c1F)Br 2230a_100011935091_100000211926 [0,2,0,0,0,0|1,0,0]=3 10167 B12R1.25 OCCNc1cccc(c1F)Br 34a_100011935091_100000211926 [0,2,0,0,0,0|1,0,0]=3 10168 B12R1.25 OCCNc1cccc(c1F)Cl 2230a_100000199060_100000211926 [0,2,0,0,0,0|1,0,0]=3 10169 B12R1.25 OCCNc1cccc(c1F)Cl 34a_100000199060_100000211926 [0,2,0,0,0,0|1,0,0]=3 10170 B12R1.25 OCCNc1cccc(c1F)F 34a_100000743855_100000211926 [0,2,0,0,0,0|1,0,0]=3 10171 B12R1.25 OCCNc1cccc(c1I)Br 34a_100020590159_100000211926 [0,2,0,0,0,0|1,0,0]=3 10172 B12R1.25 OCCNc1cccc(c1I)Cl 34a_100000049713_100000211926 [0,2,0,0,0,0|1,0,0]=3 10173 B12R1.25 OCCNc1cccc(c1I)F 34a_100000690935_100000211926 [0,2,0,0,0,0|1,0,0]=3 10174 B12R1.25 OCCNc1cccc(c1O)Br 34a_100011934915_100000211926 [0,2,0,0,0,0|1,0,0]=3 10175 B12R1.25 OCCNc1cccc(c1O)Cl 34a_100000754742_100000211926 [0,2,0,0,0,0|1,0,0]=3 10176 B12R1.25 OCCNc1cccc(c1O)F 34a_100011934987_100000211926 [0,2,0,0,0,0|1,0,0]=3 10177 B12R1.25 OCCNc1ccnc(c1Br)F 27a_100000210304_100010006599 [0,2,0,0,0,0|2,0,0]=4 10178 B12R1.25 OCCNc1ccnc(c1Cl)F 27a_100000210304_100010067886 [0,2,0,0,0,0|2,0,0]=4 10179 B12R1.25 OCCNc1ccnc(c1F)F 27a_100000210304_100010214882 [0,2,0,0,0,0|2,0,0]=4 10180 B12R1.25 OCCOc1cccc(c1Br)Br 34a_100010187966_100000211926 [0,2,0,0,0,0|0,0,0]=2 10181 B12R1.25 OCCOc1cccc(c1Br)Br 7a_100010187966_100000211926 [0,2,0,0,0,0|0,0,0]=2 10182 B12R1.25 OCCOc1cccc(c1Br)Cl 34a_100012348804_100000211926 [0,2,0,0,0,0|0,0,0]=2 10183 B12R1.25 OCCOc1cccc(c1Br)Cl 7a_100012348804_100000211926 [0,2,0,0,0,0|0,0,0]=2 10184 B12R1.25 OCCOc1cccc(c1Br)F 34a_100009820682_100000211926 [0,2,0,0,0,0|0,0,0]=2 10185 B12R1.25 OCCOc1cccc(c1Br)F 7a_100009820682_100000211926 [0,2,0,0,0,0|0,0,0]=2 10186 B12R1.25 OCCOc1cccc(c1Br)I 34a_100010187914_100000211926 [0,2,0,0,0,0|0,0,0]=2 10187 B12R1.25 OCCOc1cccc(c1Br)I 7a_100010187914_100000211926 [0,2,0,0,0,0|0,0,0]=2 10188 B12R1.25 OCCOc1cccc(c1Cl)Br 34a_100010187913_100000211926 [0,2,0,0,0,0|0,0,0]=2 10189 B12R1.25 OCCOc1cccc(c1Cl)Br 7a_100010187913_100000211926 [0,2,0,0,0,0|0,0,0]=2 10190 B12R1.25 OCCOc1cccc(c1Cl)Cl 34a_100000211076_100000211926 [0,2,0,0,0,0|0,0,0]=2 10191 B12R1.25 OCCOc1cccc(c1Cl)Cl 7a_100000211076_100000211926 [0,2,0,0,0,0|0,0,0]=2 10192 B12R1.25 OCCOc1cccc(c1Cl)F 34a_100000087408_100000211926 [0,2,0,0,0,0|0,0,0]=2 10193 B12R1.25 OCCOc1cccc(c1Cl)F 7a_100000087408_100000211926 [0,2,0,0,0,0|0,0,0]=2 10194 B12R1.25 OCCOc1cccc(c1Cl)I 34a_100000049636_100000211926 [0,2,0,0,0,0|0,0,0]=2 10195 B12R1.25 OCCOc1cccc(c1Cl)I 7a_100000049636_100000211926 [0,2,0,0,0,0|0,0,0]=2 10196 B12R1.25 OCCOc1cccc(c1F)Br 34a_100009817021_100000211926 [0,2,0,0,0,0|0,0,0]=2 10197 B12R1.25 OCCOc1cccc(c1F)Br 7a_100009817021_100000211926 [0,2,0,0,0,0|0,0,0]=2 10198 B12R1.25 OCCOc1cccc(c1F)Cl 34a_100000687438_100000211926 [0,2,0,0,0,0|0,0,0]=2 10199 B12R1.25 OCCOc1cccc(c1F)Cl 7a_100000687438_100000211926 [0,2,0,0,0,0|0,0,0]=2 10200 B12R1.25 OCCOc1cccc(c1F)F 34a_100000751161_100000211926 [0,2,0,0,0,0|0,0,0]=2 10201 B12R1.25 OCCOc1cccc(c1F)F 7a_100000751161_100000211926 [0,2,0,0,0,0|0,0,0]=2 10202 B12R1.25 OCCOc1cccc(c1I)Br 34a_100010187912_100000211926 [0,2,0,0,0,0|0,0,0]=2 10203 B12R1.25 OCCOc1cccc(c1I)Br 7a_100010187912_100000211926 [0,2,0,0,0,0|0,0,0]=2 10204 B12R1.25 OCCOc1cccc(c1I)Cl 34a_100000050174_100000211926 [0,2,0,0,0,0|0,0,0]=2 10205 B12R1.25 OCCOc1cccc(c1I)Cl 7a_100000050174_100000211926 [0,2,0,0,0,0|0,0,0]=2 10206 B12R1.25 OCCOc1cccc(c1I)F 34a_100000690913_100000211926 [0,2,0,0,0,0|0,0,0]=2 10207 B12R1.25 OCCOc1cccc(c1I)F 7a_100000690913_100000211926 [0,2,0,0,0,0|0,0,0]=2 10208 B12R1.25 OCCOc1ccnc(c1Br)Cl 34a_100010136240_100000211926 [0,2,0,0,0,0|1,0,0]=3 10209 B12R1.25 OCCOc1ccnc(c1Cl)Cl 34a_100009860235_100000211926 [0,2,0,0,0,0|1,0,0]=3 10210 B12R1.25 OCCOc1ccnc(c1F)Br 34a_100009876375_100000211926 [0,2,0,0,0,0|1,0,0]=3 10211 B12R1.25 OCCOc1ccnc(c1F)Cl 34a_100009856406_100000211926 [0,2,0,0,0,0|1,0,0]=3 10212 B12R1.25 OCCSc1cccc(c1Br)Br 62a_100000211926_100010175083 [0,2,0,0,0,0|0,1,0]=3 10213 B12R1.25 OCCSc1cccc(c1Br)Br 62a_100010175083_100000211926 [0,2,0,0,0,0|0,1,0]=3 10214 B12R1.25 OCCSc1cccc(c1Br)Cl 62a_100000211926_100014021842 [0,2,0,0,0,0|0,1,0]=3 10215 B12R1.25 OCCSc1cccc(c1Br)Cl 62a_100014021842_100000211926 [0,2,0,0,0,0|0,1,0]=3 10216 B12R1.25 OCCSc1cccc(c1Br)F 62a_100000211926_100010202630 [0,2,0,0,0,0|0,1,0]=3 10217 B12R1.25 OCCSc1cccc(c1Br)F 62a_100010202630_100000211926 [0,2,0,0,0,0|0,1,0]=3 10218 B12R1.25 OCCSc1cccc(c1Br)O 62a_100000211926_100010187914 [0,2,0,0,0,0|0,1,0]=3 10219 B12R1.25 OCCSc1cccc(c1Br)O 62a_100010187914_100000211926 [0,2,0,0,0,0|0,1,0]=3 10220 B12R1.25 OCCSc1cccc(c1Cl)Br 62a_100000211926_100010142854 [0,2,0,0,0,0|0,1,0]=3 10221 B12R1.25 OCCSc1cccc(c1Cl)Br 62a_100010142854_100000211926 [0,2,0,0,0,0|0,1,0]=3 10222 B12R1.25 OCCSc1cccc(c1Cl)Cl 62a_100000211926_100011215384 [0,2,0,0,0,0|0,1,0]=3 10223 B12R1.25 OCCSc1cccc(c1Cl)Cl 62a_100011215384_100000211926 [0,2,0,0,0,0|0,1,0]=3 10224 B12R1.25 OCCSc1cccc(c1Cl)F 62a_100000211926_200010234923 [0,2,0,0,0,0|0,1,0]=3 10225 B12R1.25 OCCSc1cccc(c1Cl)F 62a_200010234923_100000211926 [0,2,0,0,0,0|0,1,0]=3 10226 B12R1.25 OCCSc1cccc(c1Cl)O 62a_100000211926_100000049636 [0,2,0,0,0,0|0,1,0]=3 10227 B12R1.25 OCCSc1cccc(c1F)Br 62a_100000211926_100000702267 [0,2,0,0,0,0|0,1,0]=3 10228 B12R1.25 OCCSc1cccc(c1F)Br 62a_100000702267_100000211926 [0,2,0,0,0,0|0,1,0]=3 10229 B12R1.25 OCCSc1cccc(c1F)Cl 62a_100000211926_100011217346 [0,2,0,0,0,0|0,1,0]=3 10230 B12R1.25 OCCSc1cccc(c1F)Cl 62a_100011217346_100000211926 [0,2,0,0,0,0|0,1,0]=3 10231 B12R1.25 OCCSc1cccc(c1F)F 62a_100000211926_100000694657 [0,2,0,0,0,0|0,1,0]=3 10232 B12R1.25 OCCSc1cccc(c1F)F 62a_100000694657_100000211926 [0,2,0,0,0,0|0,1,0]=3 10233 B12R1.25 OCCSc1cccc(c1F)O 62a_100000211926_100009817021 [0,2,0,0,0,0|0,1,0]=3 10234 B12R1.25 OCCSc1cccc(c1F)O 62a_100009817021_100000211926 [0,2,0,0,0,0|0,1,0]=3 10235 B12R1.25 OCCSc1cccc(c1O)Br 62a_100000211926_100010084509 [0,2,0,0,0,0|0,1,0]=3 10236 B12R1.25 OCCSc1cccc(c1O)Br 62a_100010084509_100000211926 [0,2,0,0,0,0|0,1,0]=3 10237 B12R1.25 OCCSc1cccc(c1O)Cl 62a_100000211926_100010202889 [0,2,0,0,0,0|0,1,0]=3 10238 B12R1.25 OCCSc1cccc(c1O)Cl 62a_100010202889_100000211926 [0,2,0,0,0,0|0,1,0]=3 10239 B12R1.25 OCCSc1cccc(c1O)F 62a_100000211926_100009813666 [0,2,0,0,0,0|0,1,0]=3 10240 B12R1.25 OCCSc1cccc(c1O)F 62a_100009813666_100000211926 [0,2,0,0,0,0|0,1,0]=3 10241 B12R1.25 OCCSc1cccc(c1O)O 62a_100000211926_100009815950 [0,2,0,0,0,0|0,1,0]=3 10242 B12R1.25 OCCSc1ccnc(c1Br)F 62a_100000211926_100010006599 [0,2,0,0,0,0|1,1,0]=4 10243 B12R1.25 OCCSc1ccnc(c1Br)F 62a_100010006599_100000211926 [0,2,0,0,0,0|1,1,0]=4 10244 B12R1.25 OCCSc1ccnc(c1Cl)Cl 62a_100000211926_100010246212 [0,2,0,0,0,0|1,1,0]=4 10245 B12R1.25 OCCSc1ccnc(c1Cl)Cl 62a_100010246212_100000211926 [0,2,0,0,0,0|1,1,0]=4 10246 B12R1.25 OCCSc1ccnc(c1Cl)F 62a_100000211926_100010067886 [0,2,0,0,0,0|1,1,0]=4 10247 B12R1.25 OCCSc1ccnc(c1Cl)F 62a_100010067886_100000211926 [0,2,0,0,0,0|1,1,0]=4 10248 B12R1.25 OCCSc1ccnc(c1F)Br 62a_100000211926_200015269031 [0,2,0,0,0,0|1,1,0]=4 10249 B12R1.25 OCCSc1ccnc(c1F)Br 62a_200015269031_100000211926 [0,2,0,0,0,0|1,1,0]=4 10250 B12R1.25 OCCSc1ccnc(c1F)Cl 62a_100000211926_100010150473 [0,2,0,0,0,0|1,1,0]=4 10251 B12R1.25 OCCSc1ccnc(c1F)Cl 62a_100010150473_100000211926 [0,2,0,0,0,0|1,1,0]=4 10252 B12R1.25 OCCSc1ccnc(c1F)F 62a_100000211926_100010214882 [0,2,0,0,0,0|1,1,0]=4 10253 B12R1.25 OCCSc1ccnc(c1F)F 62a_100010214882_100000211926 [0,2,0,0,0,0|1,1,0]=4 10254 B12R1.25 OCCSc1ccnc(c1O)Cl 62a_100000211926_100010067911 [0,2,0,0,0,0|1,1,0]=4 10255 B12R1.25 OCCSc1nccc(c1F)O 62a_100000211926_100009876375 [0,2,0,0,0,0|1,1,0]=4 10256 B12R1.25 OCCSc1nccc(c1F)O 62a_100009876375_100000211926 [0,2,0,0,0,0|1,1,0]=4 10257 B12R1.25 OCCSc1nccc(c1O)F 62a_100000211926_100009867227 [0,2,0,0,0,0|1,1,0]=4 10258 B12R1.25 Oc1c(cccc1NCCF)Br 34a_100011934915_100011217306 [0,2,0,0,0,0|2,0,0]=4 10259 B12R1.25 Oc1c(cccc1NCCF)Cl 34a_100000754742_100011217306 [0,2,0,0,0,0|2,0,0]=4 10260 B12R1.25 Oc1c(cccc1NCCF)F 34a_100011934987_100011217306 [0,2,0,0,0,0|2,0,0]=4 10261 B12R1.25 Oc1c(cccc1SCCF)Br 62a_100010084509_100011217306 [0,2,0,0,0,0|1,1,0]=4 10262 B12R1.25 Oc1c(cccc1SCCF)Br 62a_100011217306_100010084509 [0,2,0,0,0,0|1,1,0]=4 10263 B12R1.25 Oc1c(cccc1SCCF)Cl 62a_100010202889_100011217306 [0,2,0,0,0,0|1,1,0]=4 10264 B12R1.25 Oc1c(cccc1SCCF)Cl 62a_100011217306_100010202889 [0,2,0,0,0,0|1,1,0]=4 10265 B12R1.25 Oc1c(cccc1SCCF)F 62a_100009813666_100011217306 [0,2,0,0,0,0|1,1,0]=4 10266 B12R1.25 Oc1c(cccc1SCCF)F 62a_100011217306_100009813666 [0,2,0,0,0,0|1,1,0]=4 10267 B12R1.25 Oc1cccc(c1Br)NCCF 34a_100012183704_100011217306 [0,2,0,0,0,0|2,0,0]=4 10268 B12R1.25 Oc1cccc(c1Br)NCCF 7a_100012183704_100011217306 [0,2,0,0,0,0|2,0,0]=4 10269 B12R1.25 Oc1cccc(c1Br)SCCF 62a_100010187914_100011217306 [0,2,0,0,0,0|1,1,0]=4 10270 B12R1.25 Oc1cccc(c1Br)SCCF 62a_100011217306_100010187914 [0,2,0,0,0,0|1,1,0]=4 10271 B12R1.25 Oc1cccc(c1Cl)NCCF 34a_100012002038_100011217306 [0,2,0,0,0,0|2,0,0]=4 10272 B12R1.25 Oc1cccc(c1Cl)NCCF 7a_100012002038_100011217306 [0,2,0,0,0,0|2,0,0]=4 10273 B12R1.25 Oc1cccc(c1Cl)SCCF 62a_100011217306_100000049636 [0,2,0,0,0,0|1,1,0]=4 10274 B12R1.25 Oc1cccc(c1F)SCCF 62a_100009817021_100011217306 [0,2,0,0,0,0|1,1,0]=4 10275 B12R1.25 Oc1cccc(c1F)SCCF 62a_100011217306_100009817021 [0,2,0,0,0,0|1,1,0]=4 10276 B12R1.25 Oc1cccc(c1O)SCCF 62a_100011217306_100009815950 [0,2,0,0,0,0|1,1,0]=4 10277 B12R1.121 C#CCOc1ccccc1C#C 34a_200011470546_100000184674 [0,2,0,0,0,0|1,0,1]=4 10278 B12R1.121 C#CCOc1ccccc1C#C 7a_200011470546_100000038162 [0,2,0,0,0,0|1,0,1]=4 10279 B12R1.121 C#CCOc1ccccc1C#N 34a_100000211048_100000184674 [0,2,0,0,0,0|1,0,1]=4 10280 B12R1.121 C#CCOc1ccccc1C#N 7a_100000211048_100000038162 [0,2,0,0,0,0|1,0,1]=4 10281 B12R1.121 C#CCOc1ccccc1CC 34a_100000210936_100000184674 [0,2,0,0,0,0|1,0,1]=4 10282 B12R1.121 C#CCOc1ccccc1CC 7a_100000210936_100000038162 [0,2,0,0,0,0|1,0,1]=4 10283 B12R1.121 C#CCOc1ccccc1CN 34a_100000185550_100000184674 [0,2,0,0,0,0|1,0,1]=4 10284 B12R1.121 C#CCOc1ccccc1CO 34a_100011216872_100000184674 [0,2,0,0,0,0|1,0,1]=4 10285 B12R1.121 C#CCOc1ccccc1NC 34a_100000033821_100000184674 [0,2,0,0,0,0|1,0,1]=4 10286 B12R1.121 C#CCOc1ccccc1NC 34a_100000707309_200000210301 [0,2,0,0,0,0|1,0,1]=4 10287 B12R1.121 C#CCOc1ccccc1N[13CH3] 34a_100000707309_200025704644 [0,2,0,0,0,0|1,0,1]=4 10288 B12R1.121 C#CCOc1ccccc1OC 34a_100000210385_100000184674 [0,2,0,0,0,0|1,0,1]=4 10289 B12R1.121 C#CCOc1ccccc1SC 34a_100011216402_100000184674 [0,2,0,0,0,0|1,0,1]=4 10290 B12R1.121 C#Cc1ccccc1NCCC 34a_100011470550_100000210303 [0,2,0,0,0,0|2,0,0]=4 10291 B12R1.121 C#Cc1ccccc1NCCF 34a_100011470550_100011217306 [0,2,0,0,0,0|2,0,0]=4 10292 B12R1.121 C#Cc1ccccc1NCCO 34a_100011470550_100000211926 [0,2,0,0,0,0|1,0,0]=3 10293 B12R1.121 C#Cc1ccccc1OCC#N 7a_200011470546_100011215382 [0,2,0,0,0,0|1,0,1]=4 10294 B12R1.121 C#Cc1ccccc1OCC=C 34a_200011470546_100015514636 [0,2,0,0,0,0|1,0,1]=4 10295 B12R1.121 C#Cc1ccccc1OCC=C 7a_200011470546_100015514636 [0,2,0,0,0,0|1,0,1]=4 10296 B12R1.121 C#Cc1ccccc1OCC=O 34a_200011470546_200009817547 [0,2,0,0,0,0|0,0,2]=4 10297 B12R1.121 C#Cc1ccccc1OCC=O 7a_200011470546_200015260668 [0,2,0,0,0,0|0,0,2]=4 10298 B12R1.121 C#Cc1ccccc1OCCC 34a_200011470546_100000210303 [0,2,0,0,0,0|1,0,0]=3 10299 B12R1.121 C#Cc1ccccc1OCCC 7a_200011470546_100000210303 [0,2,0,0,0,0|1,0,0]=3 10300 B12R1.121 C#Cc1ccccc1OCCF 34a_200011470546_100011217306 [0,2,0,0,0,0|1,0,0]=3 10301 B12R1.121 C#Cc1ccccc1OCCF 7a_200011470546_100011217306 [0,2,0,0,0,0|1,0,0]=3 10302 B12R1.121 C#Cc1ccccc1OCCO 34a_200011470546_100000211926 [0,2,0,0,0,0|0,0,0]=2 10303 B12R1.121 C#Cc1ccccc1OCCO 7a_200011470546_100000211926 [0,2,0,0,0,0|0,0,0]=2 10304 B12R1.121 C#Cc1ccccc1OCSC 34a_200011470546_100011218213 [0,2,0,0,0,0|2,0,0]=4 10305 B12R1.121 C=CCOc1ccccc1C#N 34a_100000211048_100015514636 [0,2,0,0,0,0|1,0,1]=4 10306 B12R1.121 C=CCOc1ccccc1C#N 7a_100000211048_100015514636 [0,2,0,0,0,0|1,0,1]=4 10307 B12R1.121 C=CCOc1ccccc1CC 34a_100000210936_100015514636 [0,2,0,0,0,0|1,0,1]=4 10308 B12R1.121 C=CCOc1ccccc1CC 7a_100000210936_100015514636 [0,2,0,0,0,0|1,0,1]=4 10309 B12R1.121 C=CCOc1ccccc1CN 34a_100000185550_100015514636 [0,2,0,0,0,0|1,0,1]=4 10310 B12R1.121 C=CCOc1ccccc1CO 34a_100011216872_100015514636 [0,2,0,0,0,0|1,0,1]=4 10311 B12R1.121 C=CCOc1ccccc1NC 34a_100000033821_100015514636 [0,2,0,0,0,0|1,0,1]=4 10312 B12R1.121 C=CCOc1ccccc1OC 34a_100000210385_100015514636 [0,2,0,0,0,0|1,0,1]=4 10313 B12R1.121 C=CCOc1ccccc1OC 34a_200011262142_200000210301 [0,2,0,0,0,0|1,0,1]=4 10314 B12R1.121 C=CCOc1ccccc1OC 7a_200011262142_200000210301 [0,2,0,0,0,0|1,0,1]=4 10315 B12R1.121 C=CCOc1ccccc1O[13CH3] 34a_200011262142_200025704644 [0,2,0,0,0,0|1,0,1]=4 10316 B12R1.121 C=CCOc1ccccc1O[13CH3] 7a_200011262142_200025704644 [0,2,0,0,0,0|1,0,1]=4 10317 B12R1.121 C=CCOc1ccccc1SC 34a_100011216402_100015514636 [0,2,0,0,0,0|1,0,1]=4 10318 B12R1.121 C=Cc1ccccc1C#CCO 271570a_100011290941_100009814404 [0,2,0,0,0,0|1,0,1]=4 10319 B12R1.121 C=Cc1ccccc1CCCO 271570a_100011290941_100000699526 [0,2,0,0,0,0|1,0,0]=3 10320 B12R1.121 C=Cc1ccccc1NCCC 34a_100012022501_100000210303 [0,2,0,0,0,0|2,0,0]=4 10321 B12R1.121 C=Cc1ccccc1NCCF 34a_100012022501_100011217306 [0,2,0,0,0,0|2,0,0]=4 10322 B12R1.121 C=Cc1ccccc1NCCO 34a_100012022501_100000211926 [0,2,0,0,0,0|1,0,0]=3 10323 B12R1.121 C=Cc1ccccc1OCC#N 271570a_100011290941_200000173881 [0,2,0,0,0,0|1,0,1]=4 10324 B12R1.121 C=Cc1ccccc1OCCC 271570a_100011290941_100000174042 [0,2,0,0,0,0|1,0,0]=3 10325 B12R1.121 C=Cc1ccccc1OCCN 271570a_100011290941_100000744007 [0,2,0,0,0,0|1,0,0]=3 10326 B12R1.121 C=Cc1ccccc1OCCO 271570a_100011290941_100000230753 [0,2,0,0,0,0|0,0,0]=2 10327 B12R1.121 C=Cc1ccccc1OCOC 271570a_100011290941_200000230759 [0,2,0,0,0,0|2,0,0]=4 10328 B12R1.121 C=Cc1ccccc1SCCC 62a_100000210303_100011218376 [0,2,0,0,0,0|1,1,0]=4 10329 B12R1.121 C=Cc1ccccc1SCCC 62a_100011218376_100000210303 [0,2,0,0,0,0|1,1,0]=4 10330 B12R1.121 C=Cc1ccccc1SCCF 62a_100011217306_100011218376 [0,2,0,0,0,0|1,1,0]=4 10331 B12R1.121 C=Cc1ccccc1SCCF 62a_100011218376_100011217306 [0,2,0,0,0,0|1,1,0]=4 10332 B12R1.121 C=Cc1ccccc1SCCO 271570a_100011290941_200000230852 [0,2,0,0,0,0|0,1,0]=3 10333 B12R1.121 C=Cc1ccccc1SCCO 62a_100000211926_100011218376 [0,2,0,0,0,0|0,1,0]=3 10334 B12R1.121 C=Cc1ccccc1SCCO 62a_100011218376_100000211926 [0,2,0,0,0,0|0,1,0]=3 10335 B12R1.121 C=Cc1cccnc1NCCO 271570a_100011290941_200011464885 [0,2,0,0,0,0|2,0,0]=4 10336 B12R1.121 C=Cc1cccnc1OCCC 271570a_100011290941_200011465209 [0,2,0,0,0,0|2,0,0]=4 10337 B12R1.121 C=Cc1ncccc1OCCF 271570a_100011290941_100012814765 [0,2,0,0,0,0|2,0,0]=4 10338 B12R1.121 CCCCc1ccccc1C#N 271570a_100020621405_100000188569 [0,2,0,0,0,0|2,0,0]=4 10339 B12R1.121 CCCCc1ccccc1C=O 271570a_100020621405_100000211189 [0,2,0,0,0,0|2,0,0]=4 10340 B12R1.121 CCCCc1ccccc1CC 271570a_100020621405_100011215823 [0,2,0,0,0,0|2,0,0]=4 10341 B12R1.121 CCCCc1ccccc1CN 271570a_100020621405_100000689332 [0,2,0,0,0,0|2,0,0]=4 10342 B12R1.121 CCCCc1ccccc1CO 271570a_100020621405_100000187465 [0,2,0,0,0,0|2,0,0]=4 10343 B12R1.121 CCCCc1ccccc1NC 2230a_200011217597_200000210301 [0,2,0,0,0,0|2,0,0]=4 10344 B12R1.121 CCCCc1ccccc1NC 271570a_100020621405_100020606079 [0,2,0,0,0,0|2,0,0]=4 10345 B12R1.121 CCCCc1ccccc1NC 34a_200011217597_200000210301 [0,2,0,0,0,0|2,0,0]=4 10346 B12R1.121 CCCCc1ccccc1NC 7a_200011217597_200000210301 [0,2,0,0,0,0|2,0,0]=4 10347 B12R1.121 CCCCc1ccccc1NN 271570a_100020621405_100000241748 [0,2,0,0,0,0|2,0,0]=4 10348 B12R1.121 CCCCc1ccccc1N[13CH3] 2230a_200011217597_200025704644 [0,2,0,0,0,0|2,0,0]=4 10349 B12R1.121 CCCCc1ccccc1N[13CH3] 34a_200011217597_200025704644 [0,2,0,0,0,0|2,0,0]=4 10350 B12R1.121 CCCCc1ccccc1N[13CH3] 7a_200011217597_200025704644 [0,2,0,0,0,0|2,0,0]=4 10351 B12R1.121 CCCCc1ccccc1OC 271570a_100020621405_100000174000 [0,2,0,0,0,0|2,0,0]=4 10352 B12R1.121 CCCCc1ccccc1SC 271570a_100020621405_100011217816 [0,2,0,0,0,0|2,0,0]=4 10353 B12R1.121 CCCNc1ccccc1C#N 34a_100000211148_100000210303 [0,2,0,0,0,0|2,0,0]=4 10354 B12R1.121 CCCNc1ccccc1CC 2230a_100000212081_100000210303 [0,2,0,0,0,0|2,0,0]=4 10355 B12R1.121 CCCNc1ccccc1CC 34a_100000212081_100000210303 [0,2,0,0,0,0|2,0,0]=4 10356 B12R1.121 CCCNc1ccccc1CC 7a_100000212081_100000210303 [0,2,0,0,0,0|2,0,0]=4 10357 B12R1.121 CCCNc1ccccc1CO 34a_100000212039_100000210303 [0,2,0,0,0,0|2,0,0]=4 10358 B12R1.121 CCCNc1ccccc1OC 34a_100000210025_100000210303 [0,2,0,0,0,0|2,0,0]=4 10359 B12R1.121 CCCNc1ccccc1SC 34a_100000211160_100000210303 [0,2,0,0,0,0|2,0,0]=4 10360 B12R1.121 CCCOc1ccccc1C#N 34a_100000211048_100000210303 [0,2,0,0,0,0|1,0,0]=3 10361 B12R1.121 CCCOc1ccccc1C#N 7a_100000211048_100000210303 [0,2,0,0,0,0|1,0,0]=3 10362 B12R1.121 CCCOc1ccccc1CC 34a_100000210936_100000210303 [0,2,0,0,0,0|1,0,0]=3 10363 B12R1.121 CCCOc1ccccc1CC 7a_100000210936_100000210303 [0,2,0,0,0,0|1,0,0]=3 10364 B12R1.121 CCCOc1ccccc1CN 34a_100000185550_100000210303 [0,2,0,0,0,0|1,0,0]=3 10365 B12R1.121 CCCOc1ccccc1CO 34a_100011216872_100000210303 [0,2,0,0,0,0|1,0,0]=3 10366 B12R1.121 CCCOc1ccccc1NC 27a_100102657272_100000174042 [0,2,0,0,0,0|1,0,0]=3 10367 B12R1.121 CCCOc1ccccc1NC 34a_100000033821_100000210303 [0,2,0,0,0,0|1,0,0]=3 10368 B12R1.121 CCCOc1ccccc1NC 34a_100000683936_200000210301 [0,2,0,0,0,0|1,0,0]=3 10369 B12R1.121 CCCOc1ccccc1N[13CH3] 34a_100000683936_200025704644 [0,2,0,0,0,0|1,0,0]=3 10370 B12R1.121 CCCOc1ccccc1OC 34a_100000180214_200000210301 [0,2,0,0,0,0|1,0,0]=3 10371 B12R1.121 CCCOc1ccccc1OC 34a_100000210385_100000210303 [0,2,0,0,0,0|1,0,0]=3 10372 B12R1.121 CCCOc1ccccc1OC 7a_100000180214_200000210301 [0,2,0,0,0,0|1,0,0]=3 10373 B12R1.121 CCCOc1ccccc1O[13CH3] 34a_100000180214_200025704644 [0,2,0,0,0,0|1,0,0]=3 10374 B12R1.121 CCCOc1ccccc1O[13CH3] 7a_100000180214_200025704644 [0,2,0,0,0,0|1,0,0]=3 10375 B12R1.121 CCCOc1ccccc1SC 34a_100011216402_100000210303 [0,2,0,0,0,0|1,0,0]=3 10376 B12R1.121 CCCOc1ccccc1SC 62a_100000174042_200000210301 [0,2,0,0,0,0|1,0,0]=3 10377 B12R1.121 CCCOc1ccccc1SC 62a_200000210301_100000174042 [0,2,0,0,0,0|1,0,0]=3 10378 B12R1.121 CCCOc1ccccc1S[13CH3] 62a_100000174042_200025704644 [0,2,0,0,0,0|1,0,0]=3 10379 B12R1.121 CCCOc1ccccc1S[13CH3] 62a_200025704644_100000174042 [0,2,0,0,0,0|1,0,0]=3 10380 B12R1.121 CCCOc1cccnc1C#N 34a_100000722750_100000210303 [0,2,0,0,0,0|2,0,0]=4 10381 B12R1.121 CCCOc1cccnc1C#N 7a_100000722750_100000210303 [0,2,0,0,0,0|2,0,0]=4 10382 B12R1.121 CCCOc1cccnc1CBr 34a_200020655725_100000210303 [0,2,0,0,0,0|2,0,0]=4 10383 B12R1.121 CCCOc1cccnc1CBr 7a_200020655725_100000210303 [0,2,0,0,0,0|2,0,0]=4 10384 B12R1.121 CCCOc1cccnc1CO 34a_100000731849_100000210303 [0,2,0,0,0,0|2,0,0]=4 10385 B12R1.121 CCCOc1cccnc1OC 34a_100000698397_100000210303 [0,2,0,0,0,0|2,0,0]=4 10386 B12R1.121 CCCOc1cccnc1OC 7a_100000698397_100000210303 [0,2,0,0,0,0|2,0,0]=4 10387 B12R1.121 CCCOc1cnccc1C#N 7a_100012181322_100000210303 [0,2,0,0,0,0|2,0,0]=4 10388 B12R1.121 CCCOc1cnccc1CO 34a_100000078615_100000210303 [0,2,0,0,0,0|2,0,0]=4 10389 B12R1.121 CCCOc1cnccc1OC 34a_100000101186_100000210303 [0,2,0,0,0,0|2,0,0]=4 10390 B12R1.121 CCCOc1ncccc1OC 34a_100025773188_100000210303 [0,2,0,0,0,0|2,0,0]=4 10391 B12R1.121 CCCOc1ncccc1SC 62a_200000210301_200011465209 [0,2,0,0,0,0|2,0,0]=4 10392 B12R1.121 CCCOc1ncccc1SC 62a_200011465209_200000210301 [0,2,0,0,0,0|2,0,0]=4 10393 B12R1.121 CCCOc1ncccc1S[13CH3] 62a_200011465209_200025704644 [0,2,0,0,0,0|2,0,0]=4 10394 B12R1.121 CCCOc1ncccc1S[13CH3] 62a_200025704644_200011465209 [0,2,0,0,0,0|2,0,0]=4 10395 B12R1.121 CCCSc1ccccc1C#N 62a_100000210303_100000188569 [0,2,0,0,0,0|1,1,0]=4 10396 B12R1.121 CCCSc1ccccc1C=O 62a_100000210073_100000210303 [0,2,0,0,0,0|1,1,0]=4 10397 B12R1.121 CCCSc1ccccc1C=O 62a_100000210303_100000210073 [0,2,0,0,0,0|1,1,0]=4 10398 B12R1.121 CCCSc1ccccc1CC 62a_100000210303_100011215823 [0,2,0,0,0,0|1,1,0]=4 10399 B12R1.121 CCCSc1ccccc1CC 62a_100011215823_100000210303 [0,2,0,0,0,0|1,1,0]=4 10400 B12R1.121 CCCSc1ccccc1CN 62a_100000210303_100000689332 [0,2,0,0,0,0|1,1,0]=4 10401 B12R1.121 CCCSc1ccccc1CN 62a_100000689332_100000210303 [0,2,0,0,0,0|1,1,0]=4 10402 B12R1.121 CCCSc1ccccc1CO 62a_100000187465_100000210303 [0,2,0,0,0,0|1,1,0]=4 10403 B12R1.121 CCCSc1ccccc1CO 62a_100000210303_100000187465 [0,2,0,0,0,0|1,1,0]=4 10404 B12R1.121 CCCSc1ccccc1NC 34a_100015184514_200000210301 [0,2,0,0,0,0|1,1,0]=4 10405 B12R1.121 CCCSc1ccccc1NC 62a_100000210303_100020606079 [0,2,0,0,0,0|1,1,0]=4 10406 B12R1.121 CCCSc1ccccc1NC 62a_100020606079_100000210303 [0,2,0,0,0,0|1,1,0]=4 10407 B12R1.121 CCCSc1ccccc1NC 7a_100015184514_200000210301 [0,2,0,0,0,0|1,1,0]=4 10408 B12R1.121 CCCSc1ccccc1NN 62a_100000210303_100000241748 [0,2,0,0,0,0|1,1,0]=4 10409 B12R1.121 CCCSc1ccccc1NN 62a_100000241748_100000210303 [0,2,0,0,0,0|1,1,0]=4 10410 B12R1.121 CCCSc1ccccc1N[13CH3] 34a_100015184514_200025704644 [0,2,0,0,0,0|1,1,0]=4 10411 B12R1.121 CCCSc1ccccc1N[13CH3] 7a_100015184514_200025704644 [0,2,0,0,0,0|1,1,0]=4 10412 B12R1.121 CCCSc1ccccc1OC 62a_100000210303_100000210334 [0,2,0,0,0,0|1,1,0]=4 10413 B12R1.121 CCCSc1ccccc1OC 62a_100000210334_100000210303 [0,2,0,0,0,0|1,1,0]=4 10414 B12R1.121 CCCSc1ccccc1SC 62a_100000210303_100011217816 [0,2,0,0,0,0|1,1,0]=4 10415 B12R1.121 CCCSc1ccccc1SC 62a_100011217816_100000210303 [0,2,0,0,0,0|1,1,0]=4 10416 B12R1.121 CCc1ccccc1NCCF 2230a_100000212081_100011217306 [0,2,0,0,0,0|2,0,0]=4 10417 B12R1.121 CCc1ccccc1NCCF 34a_100000212081_100011217306 [0,2,0,0,0,0|2,0,0]=4 10418 B12R1.121 CCc1ccccc1NCCF 7a_100000212081_100011217306 [0,2,0,0,0,0|2,0,0]=4 10419 B12R1.121 CCc1ccccc1NCCO 2230a_100000212081_100000211926 [0,2,0,0,0,0|1,0,0]=3 10420 B12R1.121 CCc1ccccc1NCCO 34a_100000212081_100000211926 [0,2,0,0,0,0|1,0,0]=3 10421 B12R1.121 CCc1ccccc1NCCO 7a_100000212081_100000211926 [0,2,0,0,0,0|1,0,0]=3 10422 B12R1.121 CCc1ccccc1OCC#N 7a_100000210936_100011215382 [0,2,0,0,0,0|1,0,1]=4 10423 B12R1.121 CCc1ccccc1OCC=O 34a_100000210936_200009817547 [0,2,0,0,0,0|0,0,2]=4 10424 B12R1.121 CCc1ccccc1OCC=O 7a_100000210936_200015260668 [0,2,0,0,0,0|0,0,2]=4 10425 B12R1.121 CCc1ccccc1OCCF 34a_100000210936_100011217306 [0,2,0,0,0,0|1,0,0]=3 10426 B12R1.121 CCc1ccccc1OCCF 7a_100000210936_100011217306 [0,2,0,0,0,0|1,0,0]=3 10427 B12R1.121 CCc1ccccc1OCCO 34a_100000210936_100000211926 [0,2,0,0,0,0|0,0,0]=2 10428 B12R1.121 CCc1ccccc1OCCO 7a_100000210936_100000211926 [0,2,0,0,0,0|0,0,0]=2 10429 B12R1.121 CCc1ccccc1OCSC 34a_100000210936_100011218213 [0,2,0,0,0,0|2,0,0]=4 10430 B12R1.121 CCc1ccccc1SCCF 62a_100011215823_100011217306 [0,2,0,0,0,0|1,1,0]=4 10431 B12R1.121 CCc1ccccc1SCCF 62a_100011217306_100011215823 [0,2,0,0,0,0|1,1,0]=4 10432 B12R1.121 CCc1ccccc1SCCO 62a_100000211926_100011215823 [0,2,0,0,0,0|0,1,0]=3 10433 B12R1.121 CCc1ccccc1SCCO 62a_100011215823_100000211926 [0,2,0,0,0,0|0,1,0]=3 10434 B12R1.121 CCc1ccncc1SCCO 62a_100000211926_100009819861 [0,2,0,0,0,0|1,1,0]=4 10435 B12R1.121 CCc1ccncc1SCCO 62a_100009819861_100000211926 [0,2,0,0,0,0|1,1,0]=4 10436 B12R1.121 CCc1cnccc1SCCO 62a_100000211926_100025704421 [0,2,0,0,0,0|1,1,0]=4 10437 B12R1.121 CCc1cnccc1SCCO 62a_100025704421_100000211926 [0,2,0,0,0,0|1,1,0]=4 10438 B12R1.121 CCc1ncccc1SCCO 62a_100000211926_100009877225 [0,2,0,0,0,0|1,1,0]=4 10439 B12R1.121 CCc1ncccc1SCCO 62a_100009877225_100000211926 [0,2,0,0,0,0|1,1,0]=4 10440 B12R1.121 CNc1ccccc1OCC=O 34a_100000033821_200009817547 [0,2,0,0,0,0|0,0,2]=4 10441 B12R1.121 CNc1ccccc1OCCF 34a_100000033821_100011217306 [0,2,0,0,0,0|1,0,0]=3 10442 B12R1.121 CNc1ccccc1OCCF 34a_100012000959_200000210301 [0,2,0,0,0,0|1,0,0]=3 10443 B12R1.121 CNc1ccccc1OCCO 34a_100000033821_100000211926 [0,2,0,0,0,0|0,0,0]=2 10444 B12R1.121 CNc1ccccc1OCCO 34a_100132302172_200000210301 [0,2,0,0,0,0|0,0,0]=2 10445 B12R1.121 CNc1ccccc1OCSC 34a_100000033821_100011218213 [0,2,0,0,0,0|2,0,0]=4 10446 B12R1.121 CNc1ccccc1SCCF 62a_100011217306_100020606079 [0,2,0,0,0,0|1,1,0]=4 10447 B12R1.121 CNc1ccccc1SCCF 62a_100020606079_100011217306 [0,2,0,0,0,0|1,1,0]=4 10448 B12R1.121 CNc1ccccc1SCCO 62a_100000211926_100020606079 [0,2,0,0,0,0|0,1,0]=3 10449 B12R1.121 CNc1ccccc1SCCO 62a_100020606079_100000211926 [0,2,0,0,0,0|0,1,0]=3 10450 B12R1.121 CNc1cccnc1SCCO 62a_100000211926_200011806188 [0,2,0,0,0,0|1,1,0]=4 10451 B12R1.121 CNc1ccncc1SCCO 62a_100000211926_100010069531 [0,2,0,0,0,0|1,1,0]=4 10452 B12R1.121 CNc1ccncc1SCCO 62a_100010069531_100000211926 [0,2,0,0,0,0|1,1,0]=4 10453 B12R1.121 CNc1ncccc1OCCF 27a_100102657272_100012814765 [0,2,0,0,0,0|2,0,0]=4 10454 B12R1.121 CNc1ncccc1SCCO 62a_100000211926_100000700899 [0,2,0,0,0,0|1,1,0]=4 10455 B12R1.121 CNc1ncccc1SCCO 62a_100000700899_100000211926 [0,2,0,0,0,0|1,1,0]=4 10456 B12R1.121 COCOc1ccccc1SC 62a_200000210301_200000230759 [0,2,0,0,0,0|2,0,0]=4 10457 B12R1.121 COCOc1ccccc1SC 62a_200000230759_200000210301 [0,2,0,0,0,0|2,0,0]=4 10458 B12R1.121 COCOc1ccccc1S[13CH3] 62a_200000230759_200025704644 [0,2,0,0,0,0|2,0,0]=4 10459 B12R1.121 COCOc1ccccc1S[13CH3] 62a_200025704644_200000230759 [0,2,0,0,0,0|2,0,0]=4 10460 B12R1.121 COc1ccccc1NCCF 34a_100000210025_100011217306 [0,2,0,0,0,0|2,0,0]=4 10461 B12R1.121 COc1ccccc1NCCO 34a_100000210025_100000211926 [0,2,0,0,0,0|1,0,0]=3 10462 B12R1.121 COc1ccccc1OCC=O 34a_100000210385_200009817547 [0,2,0,0,0,0|0,0,2]=4 10463 B12R1.121 COc1ccccc1OCCF 34a_100000210385_100011217306 [0,2,0,0,0,0|1,0,0]=3 10464 B12R1.121 COc1ccccc1OCCO 34a_100000181789_200000210301 [0,2,0,0,0,0|0,0,0]=2 10465 B12R1.121 COc1ccccc1OCCO 34a_100000210385_100000211926 [0,2,0,0,0,0|0,0,0]=2 10466 B12R1.121 COc1ccccc1OCCO 7a_100000181789_200000210301 [0,2,0,0,0,0|0,0,0]=2 10467 B12R1.121 COc1ccccc1OCSC 34a_100000210385_100011218213 [0,2,0,0,0,0|2,0,0]=4 10468 B12R1.121 COc1ccccc1SCCF 62a_100000210334_100011217306 [0,2,0,0,0,0|1,1,0]=4 10469 B12R1.121 COc1ccccc1SCCF 62a_100011217306_100000210334 [0,2,0,0,0,0|1,1,0]=4 10470 B12R1.121 COc1ccccc1SCCO 62a_100000210334_100000211926 [0,2,0,0,0,0|0,1,0]=3 10471 B12R1.121 COc1ccccc1SCCO 62a_100000211926_100000210334 [0,2,0,0,0,0|0,1,0]=3 10472 B12R1.121 COc1cccnc1OCCF 34a_100025773188_100011217306 [0,2,0,0,0,0|2,0,0]=4 10473 B12R1.121 COc1cccnc1OCCO 34a_100025773188_100000211926 [0,2,0,0,0,0|1,0,0]=3 10474 B12R1.121 COc1cccnc1SCCO 62a_100000211926_100000690851 [0,2,0,0,0,0|1,1,0]=4 10475 B12R1.121 COc1cccnc1SCCO 62a_100000767102_100000211926 [0,2,0,0,0,0|1,1,0]=4 10476 B12R1.121 COc1ccncc1OCCF 34a_100000101186_100011217306 [0,2,0,0,0,0|2,0,0]=4 10477 B12R1.121 COc1ccncc1OCCO 34a_100000101186_100000211926 [0,2,0,0,0,0|1,0,0]=3 10478 B12R1.121 COc1ccncc1SCCO 62a_100000211926_100011997281 [0,2,0,0,0,0|1,1,0]=4 10479 B12R1.121 COc1ccncc1SCCO 62a_100011997281_100000211926 [0,2,0,0,0,0|1,1,0]=4 10480 B12R1.121 COc1cnccc1SCCO 62a_100000211926_100016988167 [0,2,0,0,0,0|1,1,0]=4 10481 B12R1.121 COc1cnccc1SCCO 62a_100016988167_100000211926 [0,2,0,0,0,0|1,1,0]=4 10482 B12R1.121 COc1ncccc1OCCF 34a_100000698397_100011217306 [0,2,0,0,0,0|2,0,0]=4 10483 B12R1.121 COc1ncccc1OCCF 7a_100000698397_100011217306 [0,2,0,0,0,0|2,0,0]=4 10484 B12R1.121 COc1ncccc1OCCO 34a_100000698397_100000211926 [0,2,0,0,0,0|1,0,0]=3 10485 B12R1.121 COc1ncccc1OCCO 7a_100000698397_100000211926 [0,2,0,0,0,0|1,0,0]=3 10486 B12R1.121 COc1ncccc1SCCO 62a_100000047025_100000211926 [0,2,0,0,0,0|1,1,0]=4 10487 B12R1.121 COc1ncccc1SCCO 62a_100000211926_100000047025 [0,2,0,0,0,0|1,1,0]=4 10488 B12R1.121 CSCOc1ccccc1C#N 34a_100000211048_100011218213 [0,2,0,0,0,0|2,0,0]=4 10489 B12R1.121 CSCOc1ccccc1CN 34a_100000185550_100011218213 [0,2,0,0,0,0|2,0,0]=4 10490 B12R1.121 CSCOc1ccccc1CO 34a_100011216872_100011218213 [0,2,0,0,0,0|2,0,0]=4 10491 B12R1.121 CSCOc1ccccc1SC 34a_100011216402_100011218213 [0,2,0,0,0,0|2,0,0]=4 10492 B12R1.121 CSc1ccccc1C#CCO 62a_100009814404_200000210301 [0,2,0,0,0,0|1,0,1]=4 10493 B12R1.121 CSc1ccccc1C#CCO 62a_200000210301_100009814404 [0,2,0,0,0,0|1,0,1]=4 10494 B12R1.121 CSc1ccccc1CCCO 62a_100000699526_200000210301 [0,2,0,0,0,0|1,0,0]=3 10495 B12R1.121 CSc1ccccc1CCCO 62a_200000210301_100000699526 [0,2,0,0,0,0|1,0,0]=3 10496 B12R1.121 CSc1ccccc1NCCF 34a_100000211160_100011217306 [0,2,0,0,0,0|2,0,0]=4 10497 B12R1.121 CSc1ccccc1NCCO 34a_100000211160_100000211926 [0,2,0,0,0,0|1,0,0]=3 10498 B12R1.121 CSc1ccccc1OCC#N 62a_200000173881_200000210301 [0,2,0,0,0,0|1,0,1]=4 10499 B12R1.121 CSc1ccccc1OCC#N 62a_200000210301_200000173881 [0,2,0,0,0,0|1,0,1]=4 10500 B12R1.121 CSc1ccccc1OCC=O 34a_100011216402_200009817547 [0,2,0,0,0,0|0,0,2]=4 10501 B12R1.121 CSc1ccccc1OCCF 34a_100011216402_100011217306 [0,2,0,0,0,0|1,0,0]=3 10502 B12R1.121 CSc1ccccc1OCCN 62a_100000744007_200000210301 [0,2,0,0,0,0|1,0,0]=3 10503 B12R1.121 CSc1ccccc1OCCN 62a_200000210301_100000744007 [0,2,0,0,0,0|1,0,0]=3 10504 B12R1.121 CSc1ccccc1OCCO 34a_100011216402_100000211926 [0,2,0,0,0,0|0,0,0]=2 10505 B12R1.121 CSc1ccccc1OCCO 62a_100000230753_200000210301 [0,2,0,0,0,0|0,0,0]=2 10506 B12R1.121 CSc1ccccc1OCCO 62a_200000210301_100000230753 [0,2,0,0,0,0|0,0,0]=2 10507 B12R1.121 CSc1ccccc1SCCF 62a_100011217306_100011217816 [0,2,0,0,0,0|1,1,0]=4 10508 B12R1.121 CSc1ccccc1SCCF 62a_100011217816_100011217306 [0,2,0,0,0,0|1,1,0]=4 10509 B12R1.121 CSc1ccccc1SCCO 62a_100000211926_100011217816 [0,2,0,0,0,0|0,1,0]=3 10510 B12R1.121 CSc1ccccc1SCCO 62a_100011217816_100000211926 [0,2,0,0,0,0|0,1,0]=3 10511 B12R1.121 CSc1ccccc1SCCO 62a_200000210301_200000230852 [0,2,0,0,0,0|0,1,0]=3 10512 B12R1.121 CSc1ccccc1SCCO 62a_200000230852_200000210301 [0,2,0,0,0,0|0,1,0]=3 10513 B12R1.121 CSc1cccnc1NCCO 62a_200000210301_200011464885 [0,2,0,0,0,0|2,0,0]=4 10514 B12R1.121 CSc1cccnc1NCCO 62a_200011464885_200000210301 [0,2,0,0,0,0|2,0,0]=4 10515 B12R1.121 CSc1ncccc1OCCF 62a_100012814765_200000210301 [0,2,0,0,0,0|2,0,0]=4 10516 B12R1.121 CSc1ncccc1OCCF 62a_200000210301_100012814765 [0,2,0,0,0,0|2,0,0]=4 10517 B12R1.121 CSc1ncccc1SCCO 62a_100000211926_100011465278 [0,2,0,0,0,0|1,1,0]=4 10518 B12R1.121 CSc1ncccc1SCCO 62a_100011465278_100000211926 [0,2,0,0,0,0|1,1,0]=4 10519 B12R1.121 FCCOc1cccnc1CBr 34a_200020655725_100011217306 [0,2,0,0,0,0|2,0,0]=4 10520 B12R1.121 FCCOc1cccnc1CBr 7a_200020655725_100011217306 [0,2,0,0,0,0|2,0,0]=4 10521 B12R1.121 N#CCOc1ccccc1C#N 7a_100000211048_100011215382 [0,2,0,0,0,0|1,0,1]=4 10522 B12R1.121 N#Cc1ccccc1NCCF 34a_100000211148_100011217306 [0,2,0,0,0,0|2,0,0]=4 10523 B12R1.121 N#Cc1ccccc1NCCO 34a_100000211148_100000211926 [0,2,0,0,0,0|1,0,0]=3 10524 B12R1.121 N#Cc1ccccc1OCC=O 34a_100000211048_200009817547 [0,2,0,0,0,0|0,0,2]=4 10525 B12R1.121 N#Cc1ccccc1OCC=O 7a_100000211048_200015260668 [0,2,0,0,0,0|0,0,2]=4 10526 B12R1.121 N#Cc1ccccc1OCCF 34a_100000211048_100011217306 [0,2,0,0,0,0|1,0,0]=3 10527 B12R1.121 N#Cc1ccccc1OCCF 7a_100000211048_100011217306 [0,2,0,0,0,0|1,0,0]=3 10528 B12R1.121 N#Cc1ccccc1OCCO 34a_100000211048_100000211926 [0,2,0,0,0,0|0,0,0]=2 10529 B12R1.121 N#Cc1ccccc1OCCO 7a_100000211048_100000211926 [0,2,0,0,0,0|0,0,0]=2 10530 B12R1.121 N#Cc1ccccc1SCCF 62a_100011217306_100000188569 [0,2,0,0,0,0|1,1,0]=4 10531 B12R1.121 N#Cc1ccccc1SCCO 62a_100000211926_100000188569 [0,2,0,0,0,0|0,1,0]=3 10532 B12R1.121 N#Cc1cccnc1NCCO 27a_100000210304_100000211984 [0,2,0,0,0,0|2,0,0]=4 10533 B12R1.121 N#Cc1cccnc1SCCO 62a_100000211926_100000211984 [0,2,0,0,0,0|1,1,0]=4 10534 B12R1.121 N#Cc1ccncc1NCCO 27a_100000210304_100000684818 [0,2,0,0,0,0|2,0,0]=4 10535 B12R1.121 N#Cc1ccncc1OCCF 7a_100012181322_100011217306 [0,2,0,0,0,0|2,0,0]=4 10536 B12R1.121 N#Cc1ccncc1OCCO 7a_100012181322_100000211926 [0,2,0,0,0,0|1,0,0]=3 10537 B12R1.121 N#Cc1ccncc1SCCO 62a_100000211926_100000684818 [0,2,0,0,0,0|1,1,0]=4 10538 B12R1.121 N#Cc1cnccc1NCCO 27a_100000210304_100000687039 [0,2,0,0,0,0|2,0,0]=4 10539 B12R1.121 N#Cc1cnccc1SCCO 62a_100000211926_100000687039 [0,2,0,0,0,0|1,1,0]=4 10540 B12R1.121 N#Cc1ncccc1OCCF 34a_100000722750_100011217306 [0,2,0,0,0,0|2,0,0]=4 10541 B12R1.121 N#Cc1ncccc1OCCF 7a_100000722750_100011217306 [0,2,0,0,0,0|2,0,0]=4 10542 B12R1.121 N#Cc1ncccc1OCCO 34a_100000722750_100000211926 [0,2,0,0,0,0|1,0,0]=3 10543 B12R1.121 N#Cc1ncccc1OCCO 7a_100000722750_100000211926 [0,2,0,0,0,0|1,0,0]=3 10544 B12R1.121 N#Cc1ncccc1SCCO 62a_100000211926_100000685805 [0,2,0,0,0,0|1,1,0]=4 10545 B12R1.121 NCc1ccccc1OCC=O 34a_100000185550_200009817547 [0,2,0,0,0,0|0,0,2]=4 10546 B12R1.121 NCc1ccccc1OCCF 34a_100000185550_100011217306 [0,2,0,0,0,0|1,0,0]=3 10547 B12R1.121 NCc1ccccc1OCCO 34a_100000185550_100000211926 [0,2,0,0,0,0|0,0,0]=2 10548 B12R1.121 NCc1ccccc1SCCF 62a_100000689332_100011217306 [0,2,0,0,0,0|1,1,0]=4 10549 B12R1.121 NCc1ccccc1SCCF 62a_100011217306_100000689332 [0,2,0,0,0,0|1,1,0]=4 10550 B12R1.121 NCc1ccccc1SCCO 62a_100000211926_100000689332 [0,2,0,0,0,0|0,1,0]=3 10551 B12R1.121 NCc1ccccc1SCCO 62a_100000689332_100000211926 [0,2,0,0,0,0|0,1,0]=3 10552 B12R1.121 NCc1cccnc1SCCO 62a_100000211926_100015189234 [0,2,0,0,0,0|1,1,0]=4 10553 B12R1.121 NCc1cccnc1SCCO 62a_100015189234_100000211926 [0,2,0,0,0,0|1,1,0]=4 10554 B12R1.121 NCc1ccncc1SCCO 62a_100000211926_100020640021 [0,2,0,0,0,0|1,1,0]=4 10555 B12R1.121 NCc1ccncc1SCCO 62a_100020640021_100000211926 [0,2,0,0,0,0|1,1,0]=4 10556 B12R1.121 NCc1ncccc1SCCO 62a_100000211926_100020591323 [0,2,0,0,0,0|1,1,0]=4 10557 B12R1.121 NCc1ncccc1SCCO 62a_100020591323_100000211926 [0,2,0,0,0,0|1,1,0]=4 10558 B12R1.121 NNc1ccccc1SCCF 62a_100000241748_100011217306 [0,2,0,0,0,0|1,1,0]=4 10559 B12R1.121 NNc1ccccc1SCCF 62a_100011217306_100000241748 [0,2,0,0,0,0|1,1,0]=4 10560 B12R1.121 NNc1ccccc1SCCO 62a_100000211926_100000241748 [0,2,0,0,0,0|0,1,0]=3 10561 B12R1.121 NNc1ccccc1SCCO 62a_100000241748_100000211926 [0,2,0,0,0,0|0,1,0]=3 10562 B12R1.121 NNc1ccncc1SCCO 62a_100000211926_100013404636 [0,2,0,0,0,0|1,1,0]=4 10563 B12R1.121 NNc1ccncc1SCCO 62a_100013404636_100000211926 [0,2,0,0,0,0|1,1,0]=4 10564 B12R1.121 NNc1ncccc1SCCO 62a_100000211926_100011464834 [0,2,0,0,0,0|1,1,0]=4 10565 B12R1.121 NNc1ncccc1SCCO 62a_100011464834_100000211926 [0,2,0,0,0,0|1,1,0]=4 10566 B12R1.121 O=CCOc1ccccc1CO 34a_100011216872_200009817547 [0,2,0,0,0,0|0,0,2]=4 10567 B12R1.121 O=Cc1ccccc1SCCF 62a_100000210073_100011217306 [0,2,0,0,0,0|1,1,0]=4 10568 B12R1.121 O=Cc1ccccc1SCCF 62a_100011217306_100000210073 [0,2,0,0,0,0|1,1,0]=4 10569 B12R1.121 O=Cc1ccccc1SCCO 62a_100000210073_100000211926 [0,2,0,0,0,0|0,1,0]=3 10570 B12R1.121 O=Cc1ccccc1SCCO 62a_100000211926_100000210073 [0,2,0,0,0,0|0,1,0]=3 10571 B12R1.121 O=Cc1cccnc1SCCO 62a_100000211926_100009816751 [0,2,0,0,0,0|1,1,0]=4 10572 B12R1.121 O=Cc1cccnc1SCCO 62a_100009816751_100000211926 [0,2,0,0,0,0|1,1,0]=4 10573 B12R1.121 O=Cc1ccncc1SCCO 62a_100000211926_100011934409 [0,2,0,0,0,0|1,1,0]=4 10574 B12R1.121 O=Cc1ccncc1SCCO 62a_100011934409_100000211926 [0,2,0,0,0,0|1,1,0]=4 10575 B12R1.121 O=Cc1cnccc1SCCO 62a_100000050567_100000211926 [0,2,0,0,0,0|1,1,0]=4 10576 B12R1.121 O=Cc1cnccc1SCCO 62a_100000211926_100000050567 [0,2,0,0,0,0|1,1,0]=4 10577 B12R1.121 O=Cc1ncccc1SCCO 62a_100000211926_100011934733 [0,2,0,0,0,0|1,1,0]=4 10578 B12R1.121 O=Cc1ncccc1SCCO 62a_100011934733_100000211926 [0,2,0,0,0,0|1,1,0]=4 10579 B12R1.121 OCCNc1ccccc1CO 34a_100000212039_100000211926 [0,2,0,0,0,0|1,0,0]=3 10580 B12R1.121 OCCNc1ccncc1CO 27a_100000210304_100000117392 [0,2,0,0,0,0|2,0,0]=4 10581 B12R1.121 OCCOc1ccccc1CO 34a_100011216872_100000211926 [0,2,0,0,0,0|0,0,0]=2 10582 B12R1.121 OCCOc1cccnc1CBr 34a_200020655725_100000211926 [0,2,0,0,0,0|1,0,0]=3 10583 B12R1.121 OCCOc1cccnc1CBr 7a_200020655725_100000211926 [0,2,0,0,0,0|1,0,0]=3 10584 B12R1.121 OCCOc1cccnc1CO 34a_100000731849_100000211926 [0,2,0,0,0,0|1,0,0]=3 10585 B12R1.121 OCCOc1cnccc1CO 34a_100000078615_100000211926 [0,2,0,0,0,0|1,0,0]=3 10586 B12R1.121 OCCSc1ccccc1CO 62a_100000187465_100000211926 [0,2,0,0,0,0|0,1,0]=3 10587 B12R1.121 OCCSc1ccccc1CO 62a_100000211926_100000187465 [0,2,0,0,0,0|0,1,0]=3 10588 B12R1.121 OCCSc1cccnc1CO 62a_100000211926_100011996772 [0,2,0,0,0,0|1,1,0]=4 10589 B12R1.121 OCCSc1cccnc1CO 62a_100011996772_100000211926 [0,2,0,0,0,0|1,1,0]=4 10590 B12R1.121 OCCSc1ccncc1CO 62a_100000117392_100000211926 [0,2,0,0,0,0|1,1,0]=4 10591 B12R1.121 OCCSc1ccncc1CO 62a_100000211926_100000117392 [0,2,0,0,0,0|1,1,0]=4 10592 B12R1.121 OCCSc1cnccc1CO 62a_100000211926_100009873359 [0,2,0,0,0,0|1,1,0]=4 10593 B12R1.121 OCCSc1cnccc1CO 62a_100009873359_100000211926 [0,2,0,0,0,0|1,1,0]=4 10594 B12R1.121 OCCSc1ncccc1CO 62a_100000211926_100000748726 [0,2,0,0,0,0|1,1,0]=4 10595 B12R1.121 OCCSc1ncccc1CO 62a_100000748726_100000211926 [0,2,0,0,0,0|1,1,0]=4 10596 B12R1.121 OCc1ccccc1NCCF 34a_100000212039_100011217306 [0,2,0,0,0,0|2,0,0]=4 10597 B12R1.121 OCc1ccccc1OCCF 34a_100011216872_100011217306 [0,2,0,0,0,0|1,0,0]=3 10598 B12R1.121 OCc1ccccc1SCCF 62a_100000187465_100011217306 [0,2,0,0,0,0|1,1,0]=4 10599 B12R1.121 OCc1ccccc1SCCF 62a_100011217306_100000187465 [0,2,0,0,0,0|1,1,0]=4 10600 B12R1.121 OCc1ccncc1OCCF 34a_100000078615_100011217306 [0,2,0,0,0,0|2,0,0]=4 10601 B12R1.121 OCc1ncccc1OCCF 34a_100000731849_100011217306 [0,2,0,0,0,0|2,0,0]=4 10602 B12R1.121 [13CH3]Nc1ccccc1OCCF 34a_100012000959_200025704644 [0,2,0,0,0,0|1,0,0]=3 10603 B12R1.121 [13CH3]Nc1ccccc1OCCO 34a_100132302172_200025704644 [0,2,0,0,0,0|0,0,0]=2 10604 B12R1.121 [13CH3]Oc1ccccc1OCCO 34a_100000181789_200025704644 [0,2,0,0,0,0|0,0,0]=2 10605 B12R1.121 [13CH3]Oc1ccccc1OCCO 7a_100000181789_200025704644 [0,2,0,0,0,0|0,0,0]=2 10606 B12R1.121 [13CH3]Sc1ccccc1C#CCO 62a_100009814404_200025704644 [0,2,0,0,0,0|1,0,1]=4 10607 B12R1.121 [13CH3]Sc1ccccc1C#CCO 62a_200025704644_100009814404 [0,2,0,0,0,0|1,0,1]=4 10608 B12R1.121 [13CH3]Sc1ccccc1CCCO 62a_100000699526_200025704644 [0,2,0,0,0,0|1,0,0]=3 10609 B12R1.121 [13CH3]Sc1ccccc1CCCO 62a_200025704644_100000699526 [0,2,0,0,0,0|1,0,0]=3 10610 B12R1.121 [13CH3]Sc1ccccc1OCC#N 62a_200000173881_200025704644 [0,2,0,0,0,0|1,0,1]=4 10611 B12R1.121 [13CH3]Sc1ccccc1OCC#N 62a_200025704644_200000173881 [0,2,0,0,0,0|1,0,1]=4 10612 B12R1.121 [13CH3]Sc1ccccc1OCCN 62a_100000744007_200025704644 [0,2,0,0,0,0|1,0,0]=3 10613 B12R1.121 [13CH3]Sc1ccccc1OCCN 62a_200025704644_100000744007 [0,2,0,0,0,0|1,0,0]=3 10614 B12R1.121 [13CH3]Sc1ccccc1OCCO 62a_100000230753_200025704644 [0,2,0,0,0,0|0,0,0]=2 10615 B12R1.121 [13CH3]Sc1ccccc1OCCO 62a_200025704644_100000230753 [0,2,0,0,0,0|0,0,0]=2 10616 B12R1.121 [13CH3]Sc1ccccc1SCCO 62a_200000230852_200025704644 [0,2,0,0,0,0|0,1,0]=3 10617 B12R1.121 [13CH3]Sc1ccccc1SCCO 62a_200025704644_200000230852 [0,2,0,0,0,0|0,1,0]=3 10618 B12R1.121 [13CH3]Sc1cccnc1NCCO 62a_200011464885_200025704644 [0,2,0,0,0,0|2,0,0]=4 10619 B12R1.121 [13CH3]Sc1cccnc1NCCO 62a_200025704644_200011464885 [0,2,0,0,0,0|2,0,0]=4 10620 B12R1.121 [13CH3]Sc1ncccc1OCCF 62a_100012814765_200025704644 [0,2,0,0,0,0|2,0,0]=4 10621 B12R1.121 [13CH3]Sc1ncccc1OCCF 62a_200025704644_100012814765 [0,2,0,0,0,0|2,0,0]=4 10622 B12R1.125 C=C(C)COc1ccccc1Br 34a_100000181306_100000748629 [0,2,0,0,0,0|1,0,1]=4 10623 B12R1.125 C=C(C)COc1ccccc1Br 7a_100000181306_100000748629 [0,2,0,0,0,0|1,0,1]=4 10624 B12R1.125 C=C(C)COc1ccccc1C 34a_100000210338_100000748629 [0,2,0,0,0,0|1,0,1]=4 10625 B12R1.125 C=C(C)COc1ccccc1C 7a_100000210338_100000748629 [0,2,0,0,0,0|1,0,1]=4 10626 B12R1.125 C=C(C)COc1ccccc1Cl 34a_100000210172_100000748629 [0,2,0,0,0,0|1,0,1]=4 10627 B12R1.125 C=C(C)COc1ccccc1Cl 7a_100000210172_100000748629 [0,2,0,0,0,0|1,0,1]=4 10628 B12R1.125 C=C(C)COc1ccccc1F 34a_100000210171_100000748629 [0,2,0,0,0,0|1,0,1]=4 10629 B12R1.125 C=C(C)COc1ccccc1F 7a_100000210171_100000748629 [0,2,0,0,0,0|1,0,1]=4 10630 B12R1.125 C=C(C)COc1ccccc1I 34a_100000739446_100000748629 [0,2,0,0,0,0|1,0,1]=4 10631 B12R1.125 C=C(C)COc1ccccc1I 7a_100000739446_100000748629 [0,2,0,0,0,0|1,0,1]=4 10632 B12R1.125 C=C(C)COc1ccccc1N 34a_100000185747_100000748629 [0,2,0,0,0,0|1,0,1]=4 10633 B12R1.125 C=C(C)COc1ccccc1N 7a_100000185747_100000748629 [0,2,0,0,0,0|1,0,1]=4 10634 B12R1.125 C=C(F)COc1ccccc1Br 34a_100000181306_100009893438 [0,2,0,0,0,0|1,0,1]=4 10635 B12R1.125 C=C(F)COc1ccccc1Br 7a_100000181306_100000042424 [0,2,0,0,0,0|1,0,1]=4 10636 B12R1.125 C=C(F)COc1ccccc1C 34a_100000210338_100009893438 [0,2,0,0,0,0|1,0,1]=4 10637 B12R1.125 C=C(F)COc1ccccc1C 7a_100000210338_100000042424 [0,2,0,0,0,0|1,0,1]=4 10638 B12R1.125 C=C(F)COc1ccccc1Cl 34a_100000210172_100009893438 [0,2,0,0,0,0|1,0,1]=4 10639 B12R1.125 C=C(F)COc1ccccc1Cl 7a_100000210172_100000042424 [0,2,0,0,0,0|1,0,1]=4 10640 B12R1.125 C=C(F)COc1ccccc1F 34a_100000210171_100009893438 [0,2,0,0,0,0|1,0,1]=4 10641 B12R1.125 C=C(F)COc1ccccc1F 7a_100000210171_100000042424 [0,2,0,0,0,0|1,0,1]=4 10642 B12R1.125 C=C(F)COc1ccccc1I 34a_100000739446_100009893438 [0,2,0,0,0,0|1,0,1]=4 10643 B12R1.125 C=C(F)COc1ccccc1I 7a_100000739446_100000042424 [0,2,0,0,0,0|1,0,1]=4 10644 B12R1.125 C=C(F)COc1ccccc1N 34a_100000185747_100009893438 [0,2,0,0,0,0|1,0,1]=4 10645 B12R1.125 C=C(F)COc1ccccc1N 7a_100000185747_100000042424 [0,2,0,0,0,0|1,0,1]=4 10646 B12R1.125 CC(=O)COc1ccccc1Br 1458a_100000216496_200000210301 [0,2,0,0,0,0|0,0,2]=4 10647 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [0,2,0,0,0,0|0,0,2]=4 10648 B12R1.125 CC(=O)COc1ccccc1Cl 1458a_100000185159_200000210301 [0,2,0,0,0,0|0,0,2]=4 10649 B12R1.125 CC(=O)COc1ccccc1F 1458a_100000182486_200000210301 [0,2,0,0,0,0|0,0,2]=4 10650 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [0,2,0,0,0,0|0,0,2]=4 10651 B12R1.125 CC(C)CNc1ccccc1Br 34a_100000210017_100000210624 [0,2,0,0,0,0|2,0,0]=4 10652 B12R1.125 CC(C)CNc1ccccc1Cl 34a_100000185783_100000210624 [0,2,0,0,0,0|2,0,0]=4 10653 B12R1.125 CC(C)CNc1ccccc1F 34a_100000210422_100000210624 [0,2,0,0,0,0|2,0,0]=4 10654 B12R1.125 CC(C)CNc1ccccc1I 34a_100000210053_100000210624 [0,2,0,0,0,0|2,0,0]=4 10655 B12R1.125 CC(C)CNc1ccccc1O 34a_100000185747_100000210624 [0,2,0,0,0,0|2,0,0]=4 10656 B12R1.125 CC(C)COc1cccc[n+]1[O-] 7a_100000211761_100000210760 [0,2,0,0,0,0|2,0,0]=4 10657 B12R1.125 CC(C)COc1ccccc1Br 34a_100000181306_100000210624 [0,2,0,0,0,0|1,0,0]=3 10658 B12R1.125 CC(C)COc1ccccc1Br 7a_100000181306_100000210760 [0,2,0,0,0,0|1,0,0]=3 10659 B12R1.125 CC(C)COc1ccccc1Cl 34a_100000210172_100000210624 [0,2,0,0,0,0|1,0,0]=3 10660 B12R1.125 CC(C)COc1ccccc1Cl 7a_100000210172_100000210760 [0,2,0,0,0,0|1,0,0]=3 10661 B12R1.125 CC(C)COc1ccccc1F 34a_100000210171_100000210624 [0,2,0,0,0,0|1,0,0]=3 10662 B12R1.125 CC(C)COc1ccccc1F 7a_100000210171_100000210760 [0,2,0,0,0,0|1,0,0]=3 10663 B12R1.125 CC(C)COc1ccccc1I 34a_100000739446_100000210624 [0,2,0,0,0,0|1,0,0]=3 10664 B12R1.125 CC(C)COc1ccccc1I 7a_100000739446_100000210760 [0,2,0,0,0,0|1,0,0]=3 10665 B12R1.125 CC(C)COc1ccccc1N 34a_100000185747_100000210624 [0,2,0,0,0,0|1,0,0]=3 10666 B12R1.125 CC(C)COc1ccccc1N 7a_100000185747_100000210760 [0,2,0,0,0,0|1,0,0]=3 10667 B12R1.125 CC(C)COc1cccnc1Br 34a_100000744436_100000210624 [0,2,0,0,0,0|2,0,0]=4 10668 B12R1.125 CC(C)COc1cccnc1Br 7a_100000744436_100000210760 [0,2,0,0,0,0|2,0,0]=4 10669 B12R1.125 CC(C)COc1cccnc1Cl 34a_100000757616_100000210624 [0,2,0,0,0,0|2,0,0]=4 10670 B12R1.125 CC(C)COc1cccnc1Cl 7a_100000757616_100000210760 [0,2,0,0,0,0|2,0,0]=4 10671 B12R1.125 CC(C)COc1cccnc1F 34a_100000061740_100000210624 [0,2,0,0,0,0|2,0,0]=4 10672 B12R1.125 CC(C)COc1cccnc1F 7a_100000061740_100000210760 [0,2,0,0,0,0|2,0,0]=4 10673 B12R1.125 CC(C)COc1cccnc1I 34a_100000034122_100000210624 [0,2,0,0,0,0|2,0,0]=4 10674 B12R1.125 CC(C)COc1cccnc1I 7a_100000034122_100000210760 [0,2,0,0,0,0|2,0,0]=4 10675 B12R1.125 CC(C)COc1cccnc1N 34a_100000211975_100000210624 [0,2,0,0,0,0|2,0,0]=4 10676 B12R1.125 CC(C)COc1cccnc1N 7a_100000211975_100000210760 [0,2,0,0,0,0|2,0,0]=4 10677 B12R1.125 CC(C)COc1cccoc1=O 34a_100000077404_100000210624 [0,2,0,0,0,0|2,0,0]=4 10678 B12R1.125 CC(C)COc1cccoc1=O 7a_100000077404_100000210760 [0,2,0,0,0,0|2,0,0]=4 10679 B12R1.125 CC(C)COc1ccncc1Br 34a_100011996408_100000210624 [0,2,0,0,0,0|2,0,0]=4 10680 B12R1.125 CC(C)COc1ccncc1Cl 34a_100011997054_100000210624 [0,2,0,0,0,0|2,0,0]=4 10681 B12R1.125 CC(C)COc1ccncc1F 34a_200000081243_100000210624 [0,2,0,0,0,0|2,0,0]=4 10682 B12R1.125 CC(C)COc1cnccc1Cl 34a_100011996695_100000210624 [0,2,0,0,0,0|2,0,0]=4 10683 B12R1.125 CC(C)COc1cnccc1I 34a_100000050107_100000210624 [0,2,0,0,0,0|2,0,0]=4 10684 B12R1.125 CC(C)COc1cnccc1N 34a_100000753702_100000210624 [0,2,0,0,0,0|2,0,0]=4 10685 B12R1.125 CC(C)COc1coccc1=O 34a_100000060831_100000210624 [0,2,0,0,0,0|2,0,0]=4 10686 B12R1.125 CC(C)COc1ncccc1Cl 34a_100011290957_100000210624 [0,2,0,0,0,0|2,0,0]=4 10687 B12R1.125 CC(C)COc1ncccc1F 34a_100011219419_100000210624 [0,2,0,0,0,0|2,0,0]=4 10688 B12R1.125 CC(C)COc1ncccc1N 34a_100000746358_100000210624 [0,2,0,0,0,0|2,0,0]=4 10689 B12R1.125 CC(C)CSc1ccccc1Br 62a_100000210624_100000695589 [0,2,0,0,0,0|1,1,0]=4 10690 B12R1.125 CC(C)CSc1ccccc1Br 62a_100000695589_100000210760 [0,2,0,0,0,0|1,1,0]=4 10691 B12R1.125 CC(C)CSc1ccccc1Cl 62a_100000210624_100000764095 [0,2,0,0,0,0|1,1,0]=4 10692 B12R1.125 CC(C)CSc1ccccc1Cl 62a_100000764095_100000210760 [0,2,0,0,0,0|1,1,0]=4 10693 B12R1.125 CC(C)CSc1ccccc1F 62a_100000210624_100011215700 [0,2,0,0,0,0|1,1,0]=4 10694 B12R1.125 CC(C)CSc1ccccc1F 62a_100011215700_100000210760 [0,2,0,0,0,0|1,1,0]=4 10695 B12R1.125 CC(C)CSc1ccccc1N 62a_100000210017_100000210760 [0,2,0,0,0,0|1,1,0]=4 10696 B12R1.125 CC(C)CSc1ccccc1N 62a_100000210624_100000210017 [0,2,0,0,0,0|1,1,0]=4 10697 B12R1.125 CC(C)CSc1ccccc1O 62a_100000210624_100000739446 [0,2,0,0,0,0|1,1,0]=4 10698 B12R1.125 CC(C)CSc1ccccc1O 62a_100000739446_100000210760 [0,2,0,0,0,0|1,1,0]=4 10699 B12R1.125 CC(O)C=Cc1ccccc1Br 271570a_200011019289_100000695589 [0,2,0,0,0,0|1,0,1]=4 10700 B12R1.125 CC(O)C=Cc1ccccc1Cl 271570a_200011019289_100000764095 [0,2,0,0,0,0|1,0,1]=4 10701 B12R1.125 CC(O)C=Cc1ccccc1F 271570a_200011019289_100011215700 [0,2,0,0,0,0|1,0,1]=4 10702 B12R1.125 CC(O)C=Cc1ccccc1N 271570a_200011019289_100000210017 [0,2,0,0,0,0|1,0,1]=4 10703 B12R1.125 CC(O)C=Cc1ccccc1O 271570a_200011019289_100000739446 [0,2,0,0,0,0|1,0,1]=4 10704 B12R1.125 CC(O)CNc1ccccc1Br 34a_100000210017_100011218427 [0,2,0,0,0,0|1,0,0]=3 10705 B12R1.125 CC(O)CNc1ccccc1Cl 34a_100000185783_100011218427 [0,2,0,0,0,0|1,0,0]=3 10706 B12R1.125 CC(O)CNc1ccccc1F 34a_100000210422_100011218427 [0,2,0,0,0,0|1,0,0]=3 10707 B12R1.125 CC(O)CNc1ccccc1I 34a_100000210053_100011218427 [0,2,0,0,0,0|1,0,0]=3 10708 B12R1.125 CC(O)CNc1ccccc1O 34a_100000185747_100011218427 [0,2,0,0,0,0|1,0,0]=3 10709 B12R1.125 CC(O)CNc1ccncc1Br 27a_100000210904_100000726257 [0,2,0,0,0,0|2,0,0]=4 10710 B12R1.125 CC(O)CNc1ccncc1F 27a_100000210904_100000035921 [0,2,0,0,0,0|2,0,0]=4 10711 B12R1.125 CC(O)CNc1ncccc1Br 27a_100000210904_100000696092 [0,2,0,0,0,0|2,0,0]=4 10712 B12R1.125 CC(O)COc1cccc[n+]1[O-] 7a_100000211761_100011218427 [0,2,0,0,0,0|1,0,0]=3 10713 B12R1.125 CC(O)COc1ccccc1Br 34a_100000181306_100011218427 [0,2,0,0,0,0|0,0,0]=2 10714 B12R1.125 CC(O)COc1ccccc1Br 7a_100000181306_100011218427 [0,2,0,0,0,0|0,0,0]=2 10715 B12R1.125 CC(O)COc1ccccc1Cl 34a_100000210172_100011218427 [0,2,0,0,0,0|0,0,0]=2 10716 B12R1.125 CC(O)COc1ccccc1Cl 7a_100000210172_100011218427 [0,2,0,0,0,0|0,0,0]=2 10717 B12R1.125 CC(O)COc1ccccc1F 34a_100000210171_100011218427 [0,2,0,0,0,0|0,0,0]=2 10718 B12R1.125 CC(O)COc1ccccc1F 7a_100000210171_100011218427 [0,2,0,0,0,0|0,0,0]=2 10719 B12R1.125 CC(O)COc1ccccc1I 34a_100000739446_100011218427 [0,2,0,0,0,0|0,0,0]=2 10720 B12R1.125 CC(O)COc1ccccc1I 7a_100000739446_100011218427 [0,2,0,0,0,0|0,0,0]=2 10721 B12R1.125 CC(O)COc1ccccc1N 34a_100000185747_100011218427 [0,2,0,0,0,0|0,0,0]=2 10722 B12R1.125 CC(O)COc1ccccc1N 7a_100000185747_100011218427 [0,2,0,0,0,0|0,0,0]=2 10723 B12R1.125 CC(O)COc1cccnc1Br 34a_100000744436_100011218427 [0,2,0,0,0,0|1,0,0]=3 10724 B12R1.125 CC(O)COc1cccnc1Br 7a_100000744436_100011218427 [0,2,0,0,0,0|1,0,0]=3 10725 B12R1.125 CC(O)COc1cccnc1Cl 34a_100000757616_100011218427 [0,2,0,0,0,0|1,0,0]=3 10726 B12R1.125 CC(O)COc1cccnc1Cl 7a_100000757616_100011218427 [0,2,0,0,0,0|1,0,0]=3 10727 B12R1.125 CC(O)COc1cccnc1F 34a_100000061740_100011218427 [0,2,0,0,0,0|1,0,0]=3 10728 B12R1.125 CC(O)COc1cccnc1F 7a_100000061740_100011218427 [0,2,0,0,0,0|1,0,0]=3 10729 B12R1.125 CC(O)COc1cccnc1I 34a_100000034122_100011218427 [0,2,0,0,0,0|1,0,0]=3 10730 B12R1.125 CC(O)COc1cccnc1I 7a_100000034122_100011218427 [0,2,0,0,0,0|1,0,0]=3 10731 B12R1.125 CC(O)COc1cccnc1N 34a_100000211975_100011218427 [0,2,0,0,0,0|1,0,0]=3 10732 B12R1.125 CC(O)COc1cccnc1N 7a_100000211975_100011218427 [0,2,0,0,0,0|1,0,0]=3 10733 B12R1.125 CC(O)COc1cccoc1=O 34a_100000077404_100011218427 [0,2,0,0,0,0|1,0,0]=3 10734 B12R1.125 CC(O)COc1cccoc1=O 7a_100000077404_100011218427 [0,2,0,0,0,0|1,0,0]=3 10735 B12R1.125 CC(O)COc1ccncc1Br 34a_100011996408_100011218427 [0,2,0,0,0,0|1,0,0]=3 10736 B12R1.125 CC(O)COc1ccncc1Cl 34a_100011997054_100011218427 [0,2,0,0,0,0|1,0,0]=3 10737 B12R1.125 CC(O)COc1ccncc1F 34a_200000081243_100011218427 [0,2,0,0,0,0|1,0,0]=3 10738 B12R1.125 CC(O)COc1cnccc1Cl 34a_100011996695_100011218427 [0,2,0,0,0,0|1,0,0]=3 10739 B12R1.125 CC(O)COc1cnccc1I 34a_100000050107_100011218427 [0,2,0,0,0,0|1,0,0]=3 10740 B12R1.125 CC(O)COc1cnccc1N 34a_100000753702_100011218427 [0,2,0,0,0,0|1,0,0]=3 10741 B12R1.125 CC(O)COc1cncnc1N 7a_100000112926_100011218427 [0,2,0,0,0,0|2,0,0]=4 10742 B12R1.125 CC(O)COc1coccc1=O 34a_100000060831_100011218427 [0,2,0,0,0,0|1,0,0]=3 10743 B12R1.125 CC(O)COc1ncccc1Cl 34a_100011290957_100011218427 [0,2,0,0,0,0|1,0,0]=3 10744 B12R1.125 CC(O)COc1ncccc1F 34a_100011219419_100011218427 [0,2,0,0,0,0|1,0,0]=3 10745 B12R1.125 CC(O)COc1ncccc1N 34a_100000746358_100011218427 [0,2,0,0,0,0|1,0,0]=3 10746 B12R1.125 CC(O)CSc1c[nH]ccc1=O 62a_100009998708_100011218427 [0,2,0,0,0,0|1,1,0]=4 10747 B12R1.125 CC(O)CSc1c[nH]ccc1=O 62a_100011218427_100009998708 [0,2,0,0,0,0|1,1,0]=4 10748 B12R1.125 CC(O)CSc1c[nH]ccc1=S 62a_100011218427_200012280681 [0,2,0,0,0,0|1,1,0]=4 10749 B12R1.125 CC(O)CSc1c[nH]ccc1=S 62a_200012280681_100011218427 [0,2,0,0,0,0|1,1,0]=4 10750 B12R1.125 CC(O)CSc1cccc[n+]1C 62a_100011218427_100000212160 [0,2,0,0,0,0|1,1,0]=4 10751 B12R1.125 CC(O)CSc1cccc[n+]1[O-] 62a_100011218427_200000042595 [0,2,0,0,0,0|1,1,0]=4 10752 B12R1.125 CC(O)CSc1ccccc1Br 62a_100000695589_100011218427 [0,2,0,0,0,0|0,1,0]=3 10753 B12R1.125 CC(O)CSc1ccccc1Br 62a_100011218427_100000695589 [0,2,0,0,0,0|0,1,0]=3 10754 B12R1.125 CC(O)CSc1ccccc1Cl 62a_100000764095_100011218427 [0,2,0,0,0,0|0,1,0]=3 10755 B12R1.125 CC(O)CSc1ccccc1Cl 62a_100011218427_100000764095 [0,2,0,0,0,0|0,1,0]=3 10756 B12R1.125 CC(O)CSc1ccccc1F 62a_100011215700_100011218427 [0,2,0,0,0,0|0,1,0]=3 10757 B12R1.125 CC(O)CSc1ccccc1F 62a_100011218427_100011215700 [0,2,0,0,0,0|0,1,0]=3 10758 B12R1.125 CC(O)CSc1ccccc1N 62a_100000210017_100011218427 [0,2,0,0,0,0|0,1,0]=3 10759 B12R1.125 CC(O)CSc1ccccc1N 62a_100011218427_100000210017 [0,2,0,0,0,0|0,1,0]=3 10760 B12R1.125 CC(O)CSc1ccccc1O 62a_100000739446_100011218427 [0,2,0,0,0,0|0,1,0]=3 10761 B12R1.125 CC(O)CSc1ccccc1O 62a_100011218427_100000739446 [0,2,0,0,0,0|0,1,0]=3 10762 B12R1.125 CC(O)CSc1cccnc1Br 62a_100010202626_100011218427 [0,2,0,0,0,0|1,1,0]=4 10763 B12R1.125 CC(O)CSc1cccnc1Br 62a_100011218427_100010202626 [0,2,0,0,0,0|1,1,0]=4 10764 B12R1.125 CC(O)CSc1cccnc1Cl 62a_100000036424_100011218427 [0,2,0,0,0,0|1,1,0]=4 10765 B12R1.125 CC(O)CSc1cccnc1Cl 62a_100011218427_100000036424 [0,2,0,0,0,0|1,1,0]=4 10766 B12R1.125 CC(O)CSc1cccnc1F 62a_100009816115_100011218427 [0,2,0,0,0,0|1,1,0]=4 10767 B12R1.125 CC(O)CSc1cccnc1F 62a_100011218427_100009816115 [0,2,0,0,0,0|1,1,0]=4 10768 B12R1.125 CC(O)CSc1cccnc1N 62a_100000045569_100011218427 [0,2,0,0,0,0|1,1,0]=4 10769 B12R1.125 CC(O)CSc1cccnc1N 62a_100011218427_100000045569 [0,2,0,0,0,0|1,1,0]=4 10770 B12R1.125 CC(O)CSc1cccnc1O 62a_100000760158_100011218427 [0,2,0,0,0,0|1,1,0]=4 10771 B12R1.125 CC(O)CSc1cccnc1O 62a_100011218427_100000760158 [0,2,0,0,0,0|1,1,0]=4 10772 B12R1.125 CC(O)CSc1ccncc1Br 62a_100000726257_100011218427 [0,2,0,0,0,0|1,1,0]=4 10773 B12R1.125 CC(O)CSc1ccncc1Br 62a_100011218427_100000726257 [0,2,0,0,0,0|1,1,0]=4 10774 B12R1.125 CC(O)CSc1ccncc1Cl 62a_100000708259_100011218427 [0,2,0,0,0,0|1,1,0]=4 10775 B12R1.125 CC(O)CSc1ccncc1Cl 62a_100011218427_100000708259 [0,2,0,0,0,0|1,1,0]=4 10776 B12R1.125 CC(O)CSc1ccncc1F 62a_100000047030_100011218427 [0,2,0,0,0,0|1,1,0]=4 10777 B12R1.125 CC(O)CSc1ccncc1F 62a_100011218427_100000047030 [0,2,0,0,0,0|1,1,0]=4 10778 B12R1.125 CC(O)CSc1ccncc1N 62a_100000756074_100011218427 [0,2,0,0,0,0|1,1,0]=4 10779 B12R1.125 CC(O)CSc1ccncc1N 62a_100011218427_100000756074 [0,2,0,0,0,0|1,1,0]=4 10780 B12R1.125 CC(O)CSc1ccncc1O 62a_100009817591_100011218427 [0,2,0,0,0,0|1,1,0]=4 10781 B12R1.125 CC(O)CSc1ccncc1O 62a_100011218427_100009817591 [0,2,0,0,0,0|1,1,0]=4 10782 B12R1.125 CC(O)CSc1cnccc1Br 62a_100010138639_100011218427 [0,2,0,0,0,0|1,1,0]=4 10783 B12R1.125 CC(O)CSc1cnccc1Br 62a_100011218427_100010138639 [0,2,0,0,0,0|1,1,0]=4 10784 B12R1.125 CC(O)CSc1cnccc1Cl 62a_100009995489_100011218427 [0,2,0,0,0,0|1,1,0]=4 10785 B12R1.125 CC(O)CSc1cnccc1Cl 62a_100011218427_100009995489 [0,2,0,0,0,0|1,1,0]=4 10786 B12R1.125 CC(O)CSc1cnccc1F 62a_100009820683_100011218427 [0,2,0,0,0,0|1,1,0]=4 10787 B12R1.125 CC(O)CSc1cnccc1F 62a_100011218427_100009820683 [0,2,0,0,0,0|1,1,0]=4 10788 B12R1.125 CC(O)CSc1cnccc1N 62a_100000047001_100011218427 [0,2,0,0,0,0|1,1,0]=4 10789 B12R1.125 CC(O)CSc1cnccc1N 62a_100011218427_100000047001 [0,2,0,0,0,0|1,1,0]=4 10790 B12R1.125 CC(O)CSc1ncccc1Br 62a_100000696092_100011218427 [0,2,0,0,0,0|1,1,0]=4 10791 B12R1.125 CC(O)CSc1ncccc1Br 62a_100011218427_100000696092 [0,2,0,0,0,0|1,1,0]=4 10792 B12R1.125 CC(O)CSc1ncccc1Cl 62a_100011218427_100011356963 [0,2,0,0,0,0|1,1,0]=4 10793 B12R1.125 CC(O)CSc1ncccc1Cl 62a_100011356963_100011218427 [0,2,0,0,0,0|1,1,0]=4 10794 B12R1.125 CC(O)CSc1ncccc1F 62a_100000685392_100011218427 [0,2,0,0,0,0|1,1,0]=4 10795 B12R1.125 CC(O)CSc1ncccc1F 62a_100011218427_100000685392 [0,2,0,0,0,0|1,1,0]=4 10796 B12R1.125 CC(O)CSc1ncccc1N 62a_100000688686_100011218427 [0,2,0,0,0,0|1,1,0]=4 10797 B12R1.125 CC(O)CSc1ncccc1N 62a_100011218427_100000688686 [0,2,0,0,0,0|1,1,0]=4 10798 B12R1.125 CC(O)CSc1ncccc1O 62a_100000034122_100011218427 [0,2,0,0,0,0|1,1,0]=4 10799 B12R1.125 CC(O)CSc1ncccc1O 62a_100011218427_100000034122 [0,2,0,0,0,0|1,1,0]=4 10800 B12R1.125 C[C@@H](O)CNc1ccccc1Br 34a_100000210017_100009817552 [0,2,0,0,0,0|1,0,0]=3 10801 B12R1.125 C[C@@H](O)CNc1ccccc1Cl 34a_100000185783_100009817552 [0,2,0,0,0,0|1,0,0]=3 10802 B12R1.125 C[C@@H](O)CNc1ccccc1F 34a_100000210422_100009817552 [0,2,0,0,0,0|1,0,0]=3 10803 B12R1.125 C[C@@H](O)CNc1ccccc1I 34a_100000210053_100009817552 [0,2,0,0,0,0|1,0,0]=3 10804 B12R1.125 C[C@@H](O)CNc1ccccc1O 34a_100000185747_100009817552 [0,2,0,0,0,0|1,0,0]=3 10805 B12R1.125 C[C@@H](O)COc1cccc[n+]1[O-] 7a_100000211761_100009817552 [0,2,0,0,0,0|1,0,0]=3 10806 B12R1.125 C[C@@H](O)COc1ccccc1Br 34a_100000181306_100009817552 [0,2,0,0,0,0|0,0,0]=2 10807 B12R1.125 C[C@@H](O)COc1ccccc1Br 7a_100000181306_100009817552 [0,2,0,0,0,0|0,0,0]=2 10808 B12R1.125 C[C@@H](O)COc1ccccc1Cl 34a_100000210172_100009817552 [0,2,0,0,0,0|0,0,0]=2 10809 B12R1.125 C[C@@H](O)COc1ccccc1Cl 7a_100000210172_100009817552 [0,2,0,0,0,0|0,0,0]=2 10810 B12R1.125 C[C@@H](O)COc1ccccc1F 34a_100000210171_100009817552 [0,2,0,0,0,0|0,0,0]=2 10811 B12R1.125 C[C@@H](O)COc1ccccc1F 7a_100000210171_100009817552 [0,2,0,0,0,0|0,0,0]=2 10812 B12R1.125 C[C@@H](O)COc1ccccc1I 34a_100000739446_100009817552 [0,2,0,0,0,0|0,0,0]=2 10813 B12R1.125 C[C@@H](O)COc1ccccc1I 7a_100000739446_100009817552 [0,2,0,0,0,0|0,0,0]=2 10814 B12R1.125 C[C@@H](O)COc1ccccc1N 34a_100000185747_100009817552 [0,2,0,0,0,0|0,0,0]=2 10815 B12R1.125 C[C@@H](O)COc1ccccc1N 7a_100000185747_100009817552 [0,2,0,0,0,0|0,0,0]=2 10816 B12R1.125 C[C@@H](O)COc1cccnc1Br 34a_100000744436_100009817552 [0,2,0,0,0,0|1,0,0]=3 10817 B12R1.125 C[C@@H](O)COc1cccnc1Br 7a_100000744436_100009817552 [0,2,0,0,0,0|1,0,0]=3 10818 B12R1.125 C[C@@H](O)COc1cccnc1Cl 34a_100000757616_100009817552 [0,2,0,0,0,0|1,0,0]=3 10819 B12R1.125 C[C@@H](O)COc1cccnc1Cl 7a_100000757616_100009817552 [0,2,0,0,0,0|1,0,0]=3 10820 B12R1.125 C[C@@H](O)COc1cccnc1F 34a_100000061740_100009817552 [0,2,0,0,0,0|1,0,0]=3 10821 B12R1.125 C[C@@H](O)COc1cccnc1F 7a_100000061740_100009817552 [0,2,0,0,0,0|1,0,0]=3 10822 B12R1.125 C[C@@H](O)COc1cccnc1I 34a_100000034122_100009817552 [0,2,0,0,0,0|1,0,0]=3 10823 B12R1.125 C[C@@H](O)COc1cccnc1I 7a_100000034122_100009817552 [0,2,0,0,0,0|1,0,0]=3 10824 B12R1.125 C[C@@H](O)COc1cccnc1N 34a_100000211975_100009817552 [0,2,0,0,0,0|1,0,0]=3 10825 B12R1.125 C[C@@H](O)COc1cccnc1N 7a_100000211975_100009817552 [0,2,0,0,0,0|1,0,0]=3 10826 B12R1.125 C[C@@H](O)COc1cccoc1=O 34a_100000077404_100009817552 [0,2,0,0,0,0|1,0,0]=3 10827 B12R1.125 C[C@@H](O)COc1cccoc1=O 7a_100000077404_100009817552 [0,2,0,0,0,0|1,0,0]=3 10828 B12R1.125 C[C@@H](O)COc1ccncc1Br 34a_100011996408_100009817552 [0,2,0,0,0,0|1,0,0]=3 10829 B12R1.125 C[C@@H](O)COc1ccncc1Cl 34a_100011997054_100009817552 [0,2,0,0,0,0|1,0,0]=3 10830 B12R1.125 C[C@@H](O)COc1ccncc1F 34a_200000081243_100009817552 [0,2,0,0,0,0|1,0,0]=3 10831 B12R1.125 C[C@@H](O)COc1cnccc1Cl 34a_100011996695_100009817552 [0,2,0,0,0,0|1,0,0]=3 10832 B12R1.125 C[C@@H](O)COc1cnccc1I 34a_100000050107_100009817552 [0,2,0,0,0,0|1,0,0]=3 10833 B12R1.125 C[C@@H](O)COc1cnccc1N 34a_100000753702_100009817552 [0,2,0,0,0,0|1,0,0]=3 10834 B12R1.125 C[C@@H](O)COc1cncnc1N 7a_100000112926_100009817552 [0,2,0,0,0,0|2,0,0]=4 10835 B12R1.125 C[C@@H](O)COc1coccc1=O 34a_100000060831_100009817552 [0,2,0,0,0,0|1,0,0]=3 10836 B12R1.125 C[C@@H](O)COc1ncccc1Cl 34a_100011290957_100009817552 [0,2,0,0,0,0|1,0,0]=3 10837 B12R1.125 C[C@@H](O)COc1ncccc1F 34a_100011219419_100009817552 [0,2,0,0,0,0|1,0,0]=3 10838 B12R1.125 C[C@@H](O)COc1ncccc1N 34a_100000746358_100009817552 [0,2,0,0,0,0|1,0,0]=3 10839 B12R1.125 C[C@@H](O)CSc1c[nH]ccc1=O 62a_100009817552_100009998708 [0,2,0,0,0,0|1,1,0]=4 10840 B12R1.125 C[C@@H](O)CSc1c[nH]ccc1=O 62a_100009998708_100009817552 [0,2,0,0,0,0|1,1,0]=4 10841 B12R1.125 C[C@@H](O)CSc1c[nH]ccc1=S 62a_100009817552_200012280681 [0,2,0,0,0,0|1,1,0]=4 10842 B12R1.125 C[C@@H](O)CSc1c[nH]ccc1=S 62a_200012280681_100009817552 [0,2,0,0,0,0|1,1,0]=4 10843 B12R1.125 C[C@@H](O)CSc1cccc[n+]1C 62a_100009817552_100000212160 [0,2,0,0,0,0|1,1,0]=4 10844 B12R1.125 C[C@@H](O)CSc1cccc[n+]1[O-] 62a_100009817552_200000042595 [0,2,0,0,0,0|1,1,0]=4 10845 B12R1.125 C[C@@H](O)CSc1ccccc1Br 62a_100000695589_100009817552 [0,2,0,0,0,0|0,1,0]=3 10846 B12R1.125 C[C@@H](O)CSc1ccccc1Br 62a_100009817552_100000695589 [0,2,0,0,0,0|0,1,0]=3 10847 B12R1.125 C[C@@H](O)CSc1ccccc1Cl 62a_100000764095_100009817552 [0,2,0,0,0,0|0,1,0]=3 10848 B12R1.125 C[C@@H](O)CSc1ccccc1Cl 62a_100009817552_100000764095 [0,2,0,0,0,0|0,1,0]=3 10849 B12R1.125 C[C@@H](O)CSc1ccccc1F 62a_100009817552_100011215700 [0,2,0,0,0,0|0,1,0]=3 10850 B12R1.125 C[C@@H](O)CSc1ccccc1F 62a_100011215700_100009817552 [0,2,0,0,0,0|0,1,0]=3 10851 B12R1.125 C[C@@H](O)CSc1ccccc1N 62a_100000210017_100009817552 [0,2,0,0,0,0|0,1,0]=3 10852 B12R1.125 C[C@@H](O)CSc1ccccc1N 62a_100009817552_100000210017 [0,2,0,0,0,0|0,1,0]=3 10853 B12R1.125 C[C@@H](O)CSc1ccccc1O 62a_100000739446_100009817552 [0,2,0,0,0,0|0,1,0]=3 10854 B12R1.125 C[C@@H](O)CSc1ccccc1O 62a_100009817552_100000739446 [0,2,0,0,0,0|0,1,0]=3 10855 B12R1.125 C[C@@H](O)CSc1cccnc1Br 62a_100009817552_100010202626 [0,2,0,0,0,0|1,1,0]=4 10856 B12R1.125 C[C@@H](O)CSc1cccnc1Br 62a_100010202626_100009817552 [0,2,0,0,0,0|1,1,0]=4 10857 B12R1.125 C[C@@H](O)CSc1cccnc1Cl 62a_100000036424_100009817552 [0,2,0,0,0,0|1,1,0]=4 10858 B12R1.125 C[C@@H](O)CSc1cccnc1Cl 62a_100009817552_100000036424 [0,2,0,0,0,0|1,1,0]=4 10859 B12R1.125 C[C@@H](O)CSc1cccnc1F 62a_100009816115_100009817552 [0,2,0,0,0,0|1,1,0]=4 10860 B12R1.125 C[C@@H](O)CSc1cccnc1F 62a_100009817552_100009816115 [0,2,0,0,0,0|1,1,0]=4 10861 B12R1.125 C[C@@H](O)CSc1cccnc1N 62a_100000045569_100009817552 [0,2,0,0,0,0|1,1,0]=4 10862 B12R1.125 C[C@@H](O)CSc1cccnc1N 62a_100009817552_100000045569 [0,2,0,0,0,0|1,1,0]=4 10863 B12R1.125 C[C@@H](O)CSc1cccnc1O 62a_100000760158_100009817552 [0,2,0,0,0,0|1,1,0]=4 10864 B12R1.125 C[C@@H](O)CSc1cccnc1O 62a_100009817552_100000760158 [0,2,0,0,0,0|1,1,0]=4 10865 B12R1.125 C[C@@H](O)CSc1ccncc1Br 62a_100000726257_100009817552 [0,2,0,0,0,0|1,1,0]=4 10866 B12R1.125 C[C@@H](O)CSc1ccncc1Br 62a_100009817552_100000726257 [0,2,0,0,0,0|1,1,0]=4 10867 B12R1.125 C[C@@H](O)CSc1ccncc1Cl 62a_100000708259_100009817552 [0,2,0,0,0,0|1,1,0]=4 10868 B12R1.125 C[C@@H](O)CSc1ccncc1Cl 62a_100009817552_100000708259 [0,2,0,0,0,0|1,1,0]=4 10869 B12R1.125 C[C@@H](O)CSc1ccncc1F 62a_100000047030_100009817552 [0,2,0,0,0,0|1,1,0]=4 10870 B12R1.125 C[C@@H](O)CSc1ccncc1F 62a_100009817552_100000047030 [0,2,0,0,0,0|1,1,0]=4 10871 B12R1.125 C[C@@H](O)CSc1ccncc1N 62a_100000756074_100009817552 [0,2,0,0,0,0|1,1,0]=4 10872 B12R1.125 C[C@@H](O)CSc1ccncc1N 62a_100009817552_100000756074 [0,2,0,0,0,0|1,1,0]=4 10873 B12R1.125 C[C@@H](O)CSc1ccncc1O 62a_100009817552_100009817591 [0,2,0,0,0,0|1,1,0]=4 10874 B12R1.125 C[C@@H](O)CSc1ccncc1O 62a_100009817591_100009817552 [0,2,0,0,0,0|1,1,0]=4 10875 B12R1.125 C[C@@H](O)CSc1cnccc1Br 62a_100009817552_100010138639 [0,2,0,0,0,0|1,1,0]=4 10876 B12R1.125 C[C@@H](O)CSc1cnccc1Br 62a_100010138639_100009817552 [0,2,0,0,0,0|1,1,0]=4 10877 B12R1.125 C[C@@H](O)CSc1cnccc1Cl 62a_100009817552_100009995489 [0,2,0,0,0,0|1,1,0]=4 10878 B12R1.125 C[C@@H](O)CSc1cnccc1Cl 62a_100009995489_100009817552 [0,2,0,0,0,0|1,1,0]=4 10879 B12R1.125 C[C@@H](O)CSc1cnccc1F 62a_100009817552_100009820683 [0,2,0,0,0,0|1,1,0]=4 10880 B12R1.125 C[C@@H](O)CSc1cnccc1F 62a_100009820683_100009817552 [0,2,0,0,0,0|1,1,0]=4 10881 B12R1.125 C[C@@H](O)CSc1cnccc1N 62a_100000047001_100009817552 [0,2,0,0,0,0|1,1,0]=4 10882 B12R1.125 C[C@@H](O)CSc1cnccc1N 62a_100009817552_100000047001 [0,2,0,0,0,0|1,1,0]=4 10883 B12R1.125 C[C@@H](O)CSc1ncccc1Br 62a_100000696092_100009817552 [0,2,0,0,0,0|1,1,0]=4 10884 B12R1.125 C[C@@H](O)CSc1ncccc1Br 62a_100009817552_100000696092 [0,2,0,0,0,0|1,1,0]=4 10885 B12R1.125 C[C@@H](O)CSc1ncccc1Cl 62a_100009817552_100011356963 [0,2,0,0,0,0|1,1,0]=4 10886 B12R1.125 C[C@@H](O)CSc1ncccc1Cl 62a_100011356963_100009817552 [0,2,0,0,0,0|1,1,0]=4 10887 B12R1.125 C[C@@H](O)CSc1ncccc1F 62a_100000685392_100009817552 [0,2,0,0,0,0|1,1,0]=4 10888 B12R1.125 C[C@@H](O)CSc1ncccc1F 62a_100009817552_100000685392 [0,2,0,0,0,0|1,1,0]=4 10889 B12R1.125 C[C@@H](O)CSc1ncccc1N 62a_100000688686_100009817552 [0,2,0,0,0,0|1,1,0]=4 10890 B12R1.125 C[C@@H](O)CSc1ncccc1N 62a_100009817552_100000688686 [0,2,0,0,0,0|1,1,0]=4 10891 B12R1.125 C[C@@H](O)CSc1ncccc1O 62a_100000034122_100009817552 [0,2,0,0,0,0|1,1,0]=4 10892 B12R1.125 C[C@@H](O)CSc1ncccc1O 62a_100009817552_100000034122 [0,2,0,0,0,0|1,1,0]=4 10893 B12R1.125 Cc1ccccc1C=CC(C)O 271570a_200011019289_100000210755 [0,2,0,0,0,0|1,0,1]=4 10894 B12R1.125 Cc1ccccc1NCC(C)C 34a_100015192222_100000210624 [0,2,0,0,0,0|2,0,0]=4 10895 B12R1.125 Cc1ccccc1NCC(C)O 34a_100015192222_100011218427 [0,2,0,0,0,0|1,0,0]=3 10896 B12R1.125 Cc1ccccc1NCC(F)F 34a_100015192222_100011934356 [0,2,0,0,0,0|2,0,0]=4 10897 B12R1.125 Cc1ccccc1NC[C@@H](C)O 34a_100015192222_100009817552 [0,2,0,0,0,0|1,0,0]=3 10898 B12R1.125 Cc1ccccc1OCC(=O)N 34a_100000210338_100000187820 [0,2,0,0,0,0|0,0,2]=4 10899 B12R1.125 Cc1ccccc1OCC(=O)N 7a_100000210338_100000187820 [0,2,0,0,0,0|0,0,2]=4 10900 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [0,2,0,0,0,0|0,0,2]=4 10901 B12R1.125 Cc1ccccc1OCC(=O)[O-] 34a_100000210338_100020667443 [0,2,0,0,0,0|0,0,2]=4 10902 B12R1.125 Cc1ccccc1OCC(C)C 34a_100000210338_100000210624 [0,2,0,0,0,0|1,0,0]=3 10903 B12R1.125 Cc1ccccc1OCC(C)C 7a_100000210338_100000210760 [0,2,0,0,0,0|1,0,0]=3 10904 B12R1.125 Cc1ccccc1OCC(C)O 34a_100000210338_100011218427 [0,2,0,0,0,0|0,0,0]=2 10905 B12R1.125 Cc1ccccc1OCC(C)O 7a_100000210338_100011218427 [0,2,0,0,0,0|0,0,0]=2 10906 B12R1.125 Cc1ccccc1OCC(F)F 34a_100000210338_100011934356 [0,2,0,0,0,0|1,0,0]=3 10907 B12R1.125 Cc1ccccc1OCC(F)F 7a_100000210338_100011934356 [0,2,0,0,0,0|1,0,0]=3 10908 B12R1.125 Cc1ccccc1OC[C@@H](C)O 34a_100000210338_100009817552 [0,2,0,0,0,0|0,0,0]=2 10909 B12R1.125 Cc1ccccc1OC[C@@H](C)O 7a_100000210338_100009817552 [0,2,0,0,0,0|0,0,0]=2 10910 B12R1.125 Cc1ccccc1OC[N+](=O)[O-] 34a_100000210338_100000761209 [0,2,0,0,0,0|1,0,1]=4 10911 B12R1.125 Cc1ccccc1SCC(C)C 62a_100000210624_100000210755 [0,2,0,0,0,0|1,1,0]=4 10912 B12R1.125 Cc1ccccc1SCC(C)C 62a_100000210755_100000210760 [0,2,0,0,0,0|1,1,0]=4 10913 B12R1.125 Cc1ccccc1SCC(C)O 62a_100000210755_100011218427 [0,2,0,0,0,0|0,1,0]=3 10914 B12R1.125 Cc1ccccc1SCC(C)O 62a_100011218427_100000210755 [0,2,0,0,0,0|0,1,0]=3 10915 B12R1.125 Cc1ccccc1SCC(F)F 62a_100000210755_100011934356 [0,2,0,0,0,0|1,1,0]=4 10916 B12R1.125 Cc1ccccc1SCC(F)F 62a_100011934356_100000210755 [0,2,0,0,0,0|1,1,0]=4 10917 B12R1.125 Cc1ccccc1SC[C@@H](C)O 62a_100000210755_100009817552 [0,2,0,0,0,0|0,1,0]=3 10918 B12R1.125 Cc1ccccc1SC[C@@H](C)O 62a_100009817552_100000210755 [0,2,0,0,0,0|0,1,0]=3 10919 B12R1.125 Cc1cccnc1SCC(C)O 62a_100000751373_100011218427 [0,2,0,0,0,0|1,1,0]=4 10920 B12R1.125 Cc1cccnc1SCC(C)O 62a_100011218427_100000751373 [0,2,0,0,0,0|1,1,0]=4 10921 B12R1.125 Cc1cccnc1SC[C@@H](C)O 62a_100000751373_100009817552 [0,2,0,0,0,0|1,1,0]=4 10922 B12R1.125 Cc1cccnc1SC[C@@H](C)O 62a_100009817552_100000751373 [0,2,0,0,0,0|1,1,0]=4 10923 B12R1.125 Cc1ccncc1OCC(C)C 34a_100011997053_100000210624 [0,2,0,0,0,0|2,0,0]=4 10924 B12R1.125 Cc1ccncc1OCC(C)C 7a_100011997053_100000210760 [0,2,0,0,0,0|2,0,0]=4 10925 B12R1.125 Cc1ccncc1OCC(C)O 34a_100011997053_100011218427 [0,2,0,0,0,0|1,0,0]=3 10926 B12R1.125 Cc1ccncc1OCC(C)O 7a_100011997053_100011218427 [0,2,0,0,0,0|1,0,0]=3 10927 B12R1.125 Cc1ccncc1OCC(F)F 34a_100011997053_100011934356 [0,2,0,0,0,0|2,0,0]=4 10928 B12R1.125 Cc1ccncc1OCC(F)F 7a_100011997053_100011934356 [0,2,0,0,0,0|2,0,0]=4 10929 B12R1.125 Cc1ccncc1OC[C@@H](C)O 34a_100011997053_100009817552 [0,2,0,0,0,0|1,0,0]=3 10930 B12R1.125 Cc1ccncc1OC[C@@H](C)O 7a_100011997053_100009817552 [0,2,0,0,0,0|1,0,0]=3 10931 B12R1.125 Cc1ccncc1SCC(C)O 62a_100000761580_100011218427 [0,2,0,0,0,0|1,1,0]=4 10932 B12R1.125 Cc1ccncc1SCC(C)O 62a_100011218427_100000761580 [0,2,0,0,0,0|1,1,0]=4 10933 B12R1.125 Cc1ccncc1SC[C@@H](C)O 62a_100000761580_100009817552 [0,2,0,0,0,0|1,1,0]=4 10934 B12R1.125 Cc1ccncc1SC[C@@H](C)O 62a_100009817552_100000761580 [0,2,0,0,0,0|1,1,0]=4 10935 B12R1.125 Cc1cnccc1NCC(C)O 27a_100000210904_100000765111 [0,2,0,0,0,0|2,0,0]=4 10936 B12R1.125 Cc1cnccc1OCC(C)C 34a_100000694293_100000210624 [0,2,0,0,0,0|2,0,0]=4 10937 B12R1.125 Cc1cnccc1OCC(C)O 34a_100000694293_100011218427 [0,2,0,0,0,0|1,0,0]=3 10938 B12R1.125 Cc1cnccc1OCC(F)F 34a_100000694293_100011934356 [0,2,0,0,0,0|2,0,0]=4 10939 B12R1.125 Cc1cnccc1OC[C@@H](C)O 34a_100000694293_100009817552 [0,2,0,0,0,0|1,0,0]=3 10940 B12R1.125 Cc1cnccc1SCC(C)O 62a_100000765111_100011218427 [0,2,0,0,0,0|1,1,0]=4 10941 B12R1.125 Cc1cnccc1SCC(C)O 62a_100011218427_100000765111 [0,2,0,0,0,0|1,1,0]=4 10942 B12R1.125 Cc1cnccc1SC[C@@H](C)O 62a_100000765111_100009817552 [0,2,0,0,0,0|1,1,0]=4 10943 B12R1.125 Cc1cnccc1SC[C@@H](C)O 62a_100009817552_100000765111 [0,2,0,0,0,0|1,1,0]=4 10944 B12R1.125 Cc1ncccc1OCC(C)C 34a_100000745507_100000210624 [0,2,0,0,0,0|2,0,0]=4 10945 B12R1.125 Cc1ncccc1OCC(C)C 7a_100000745507_100000210760 [0,2,0,0,0,0|2,0,0]=4 10946 B12R1.125 Cc1ncccc1OCC(C)O 34a_100000745507_100011218427 [0,2,0,0,0,0|1,0,0]=3 10947 B12R1.125 Cc1ncccc1OCC(C)O 7a_100000745507_100011218427 [0,2,0,0,0,0|1,0,0]=3 10948 B12R1.125 Cc1ncccc1OCC(F)F 34a_100000745507_100011934356 [0,2,0,0,0,0|2,0,0]=4 10949 B12R1.125 Cc1ncccc1OCC(F)F 7a_100000745507_100011934356 [0,2,0,0,0,0|2,0,0]=4 10950 B12R1.125 Cc1ncccc1OC[C@@H](C)O 34a_100000745507_100009817552 [0,2,0,0,0,0|1,0,0]=3 10951 B12R1.125 Cc1ncccc1OC[C@@H](C)O 7a_100000745507_100009817552 [0,2,0,0,0,0|1,0,0]=3 10952 B12R1.125 Cc1ncccc1SCC(C)O 62a_100000751574_100011218427 [0,2,0,0,0,0|1,1,0]=4 10953 B12R1.125 Cc1ncccc1SCC(C)O 62a_100011218427_100000751574 [0,2,0,0,0,0|1,1,0]=4 10954 B12R1.125 Cc1ncccc1SC[C@@H](C)O 62a_100000751574_100009817552 [0,2,0,0,0,0|1,1,0]=4 10955 B12R1.125 Cc1ncccc1SC[C@@H](C)O 62a_100009817552_100000751574 [0,2,0,0,0,0|1,1,0]=4 10956 B12R1.125 Cc1nccnc1OCC(C)O 34a_100000766352_100011218427 [0,2,0,0,0,0|2,0,0]=4 10957 B12R1.125 Cc1nccnc1OC[C@@H](C)O 34a_100000766352_100009817552 [0,2,0,0,0,0|2,0,0]=4 10958 B12R1.125 FC(F)CNc1ccccc1Br 34a_100000210017_100011934356 [0,2,0,0,0,0|2,0,0]=4 10959 B12R1.125 FC(F)CNc1ccccc1Cl 34a_100000185783_100011934356 [0,2,0,0,0,0|2,0,0]=4 10960 B12R1.125 FC(F)CNc1ccccc1I 34a_100000210053_100011934356 [0,2,0,0,0,0|2,0,0]=4 10961 B12R1.125 FC(F)COc1ccccc1Br 34a_100000181306_100011934356 [0,2,0,0,0,0|1,0,0]=3 10962 B12R1.125 FC(F)COc1ccccc1Br 7a_100000181306_100011934356 [0,2,0,0,0,0|1,0,0]=3 10963 B12R1.125 FC(F)COc1ccccc1Cl 34a_100000210172_100011934356 [0,2,0,0,0,0|1,0,0]=3 10964 B12R1.125 FC(F)COc1ccccc1Cl 7a_100000210172_100011934356 [0,2,0,0,0,0|1,0,0]=3 10965 B12R1.125 FC(F)COc1ccccc1I 34a_100000739446_100011934356 [0,2,0,0,0,0|1,0,0]=3 10966 B12R1.125 FC(F)COc1ccccc1I 7a_100000739446_100011934356 [0,2,0,0,0,0|1,0,0]=3 10967 B12R1.125 FC(F)COc1cccnc1Br 34a_100000744436_100011934356 [0,2,0,0,0,0|2,0,0]=4 10968 B12R1.125 FC(F)COc1cccnc1Br 7a_100000744436_100011934356 [0,2,0,0,0,0|2,0,0]=4 10969 B12R1.125 FC(F)COc1cccnc1Cl 34a_100000757616_100011934356 [0,2,0,0,0,0|2,0,0]=4 10970 B12R1.125 FC(F)COc1cccnc1Cl 7a_100000757616_100011934356 [0,2,0,0,0,0|2,0,0]=4 10971 B12R1.125 FC(F)COc1cccnc1I 34a_100000034122_100011934356 [0,2,0,0,0,0|2,0,0]=4 10972 B12R1.125 FC(F)COc1cccnc1I 7a_100000034122_100011934356 [0,2,0,0,0,0|2,0,0]=4 10973 B12R1.125 FC(F)COc1ccncc1Br 34a_100011996408_100011934356 [0,2,0,0,0,0|2,0,0]=4 10974 B12R1.125 FC(F)COc1ccncc1Cl 34a_100011997054_100011934356 [0,2,0,0,0,0|2,0,0]=4 10975 B12R1.125 FC(F)COc1cnccc1Cl 34a_100011996695_100011934356 [0,2,0,0,0,0|2,0,0]=4 10976 B12R1.125 FC(F)COc1cnccc1I 34a_100000050107_100011934356 [0,2,0,0,0,0|2,0,0]=4 10977 B12R1.125 FC(F)COc1ncccc1Cl 34a_100011290957_100011934356 [0,2,0,0,0,0|2,0,0]=4 10978 B12R1.125 FC(F)CSc1ccccc1Br 62a_100000695589_100011934356 [0,2,0,0,0,0|1,1,0]=4 10979 B12R1.125 FC(F)CSc1ccccc1Br 62a_100011934356_100000695589 [0,2,0,0,0,0|1,1,0]=4 10980 B12R1.125 FC(F)CSc1ccccc1Cl 62a_100000764095_100011934356 [0,2,0,0,0,0|1,1,0]=4 10981 B12R1.125 FC(F)CSc1ccccc1Cl 62a_100011934356_100000764095 [0,2,0,0,0,0|1,1,0]=4 10982 B12R1.125 Fc1ccccc1NCC(F)F 34a_100000210422_100011934356 [0,2,0,0,0,0|2,0,0]=4 10983 B12R1.125 Fc1ccccc1OCC(F)F 34a_100000210171_100011934356 [0,2,0,0,0,0|1,0,0]=3 10984 B12R1.125 Fc1ccccc1OCC(F)F 7a_100000210171_100011934356 [0,2,0,0,0,0|1,0,0]=3 10985 B12R1.125 Fc1ccccc1SCC(F)F 62a_100011215700_100011934356 [0,2,0,0,0,0|1,1,0]=4 10986 B12R1.125 Fc1ccccc1SCC(F)F 62a_100011934356_100011215700 [0,2,0,0,0,0|1,1,0]=4 10987 B12R1.125 Fc1cccnc1OCC(F)F 34a_100011219419_100011934356 [0,2,0,0,0,0|2,0,0]=4 10988 B12R1.125 Fc1cnccc1OCC(F)F 34a_200000081243_100011934356 [0,2,0,0,0,0|2,0,0]=4 10989 B12R1.125 Fc1ncccc1OCC(F)F 34a_100000061740_100011934356 [0,2,0,0,0,0|2,0,0]=4 10990 B12R1.125 Fc1ncccc1OCC(F)F 7a_100000061740_100011934356 [0,2,0,0,0,0|2,0,0]=4 10991 B12R1.125 NC(=O)COc1ccccc1Br 34a_100000181306_100000187820 [0,2,0,0,0,0|0,0,2]=4 10992 B12R1.125 NC(=O)COc1ccccc1Br 7a_100000181306_100000187820 [0,2,0,0,0,0|0,0,2]=4 10993 B12R1.125 NC(=O)COc1ccccc1Cl 34a_100000210172_100000187820 [0,2,0,0,0,0|0,0,2]=4 10994 B12R1.125 NC(=O)COc1ccccc1Cl 7a_100000210172_100000187820 [0,2,0,0,0,0|0,0,2]=4 10995 B12R1.125 NC(=O)COc1ccccc1F 34a_100000210171_100000187820 [0,2,0,0,0,0|0,0,2]=4 10996 B12R1.125 NC(=O)COc1ccccc1F 7a_100000210171_100000187820 [0,2,0,0,0,0|0,0,2]=4 10997 B12R1.125 NC(=O)COc1ccccc1I 34a_100000739446_100000187820 [0,2,0,0,0,0|0,0,2]=4 10998 B12R1.125 NC(=O)COc1ccccc1I 7a_100000739446_100000187820 [0,2,0,0,0,0|0,0,2]=4 10999 B12R1.125 NC(=O)COc1ccccc1N 34a_100000185747_100000187820 [0,2,0,0,0,0|0,0,2]=4 11000 B12R1.125 NC(=O)COc1ccccc1N 7a_100000185747_100000187820 [0,2,0,0,0,0|0,0,2]=4 11001 B12R1.125 NC(=O)COc1ccccc1O 271570a_203496583355_200000148491 [0,2,0,0,0,0|0,0,2]=4 11002 B12R1.125 Nc1ccccc1OCC(=O)[O-] 34a_100000185747_100020667443 [0,2,0,0,0,0|0,0,2]=4 11003 B12R1.125 Nc1ccccc1OCC(F)F 34a_100000185747_100011934356 [0,2,0,0,0,0|1,0,0]=3 11004 B12R1.125 Nc1ccccc1OCC(F)F 7a_100000185747_100011934356 [0,2,0,0,0,0|1,0,0]=3 11005 B12R1.125 Nc1ccccc1OC[N+](=O)[O-] 34a_100000185747_100000761209 [0,2,0,0,0,0|1,0,1]=4 11006 B12R1.125 Nc1ccccc1SCC(F)F 62a_100000210017_100011934356 [0,2,0,0,0,0|1,1,0]=4 11007 B12R1.125 Nc1ccccc1SCC(F)F 62a_100011934356_100000210017 [0,2,0,0,0,0|1,1,0]=4 11008 B12R1.125 Nc1cccnc1OCC(F)F 34a_100000746358_100011934356 [0,2,0,0,0,0|2,0,0]=4 11009 B12R1.125 Nc1ccncc1OCC(F)F 34a_100000753702_100011934356 [0,2,0,0,0,0|2,0,0]=4 11010 B12R1.125 Nc1ncccc1OCC(F)F 34a_100000211975_100011934356 [0,2,0,0,0,0|2,0,0]=4 11011 B12R1.125 Nc1ncccc1OCC(F)F 7a_100000211975_100011934356 [0,2,0,0,0,0|2,0,0]=4 11012 B12R1.125 O=C([O-])COc1ccccc1Br 34a_100000181306_100020667443 [0,2,0,0,0,0|0,0,2]=4 11013 B12R1.125 O=C([O-])COc1ccccc1Cl 34a_100000210172_100020667443 [0,2,0,0,0,0|0,0,2]=4 11014 B12R1.125 O=C([O-])COc1ccccc1F 34a_100000210171_100020667443 [0,2,0,0,0,0|0,0,2]=4 11015 B12R1.125 O=C([O-])COc1ccccc1I 34a_100000739446_100020667443 [0,2,0,0,0,0|0,0,2]=4 11016 B12R1.125 O=[N+]([O-])COc1ccccc1Br 34a_100000181306_100000761209 [0,2,0,0,0,0|1,0,1]=4 11017 B12R1.125 O=[N+]([O-])COc1ccccc1Cl 34a_100000210172_100000761209 [0,2,0,0,0,0|1,0,1]=4 11018 B12R1.125 O=[N+]([O-])COc1ccccc1F 34a_100000210171_100000761209 [0,2,0,0,0,0|1,0,1]=4 11019 B12R1.125 O=[N+]([O-])COc1ccccc1I 34a_100000739446_100000761209 [0,2,0,0,0,0|1,0,1]=4 11020 B12R1.125 O=c1ccocc1OCC(F)F 34a_100000060831_100011934356 [0,2,0,0,0,0|2,0,0]=4 11021 B12R1.125 O=c1occcc1OCC(F)F 34a_100000077404_100011934356 [0,2,0,0,0,0|2,0,0]=4 11022 B12R1.125 O=c1occcc1OCC(F)F 7a_100000077404_100011934356 [0,2,0,0,0,0|2,0,0]=4 11023 B12R1.125 Oc1ccccc1NCC(F)F 34a_100000185747_100011934356 [0,2,0,0,0,0|2,0,0]=4 11024 B12R1.125 Oc1ccccc1OCC(F)F 271570a_203496583355_100000692002 [0,2,0,0,0,0|1,0,0]=3 11025 B12R1.125 Oc1ccccc1SCC(F)F 62a_100000739446_100011934356 [0,2,0,0,0,0|1,1,0]=4 11026 B12R1.125 Oc1ccccc1SCC(F)F 62a_100011934356_100000739446 [0,2,0,0,0,0|1,1,0]=4 11027 B12R1.125 [13CH3]C(=O)COc1ccccc1Br 1458a_100000216496_200025704644 [0,2,0,0,0,0|0,0,2]=4 11028 B12R1.125 [13CH3]C(=O)COc1ccccc1Cl 1458a_100000185159_200025704644 [0,2,0,0,0,0|0,0,2]=4 11029 B12R1.125 [13CH3]C(=O)COc1ccccc1F 1458a_100000182486_200025704644 [0,2,0,0,0,0|0,0,2]=4 11030 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [0,2,0,0,0,0|0,0,2]=4 11031 B12R1.125 [O-][n+]1ccccc1OCC(F)F 7a_100000211761_100011934356 [0,2,0,0,0,0|2,0,0]=4 11032 B12R1.267 BrCCOCc1ccccc1Br 34a_100000211926_100000184730 [0,2,0,0,0,0|1,0,0]=3 11033 B12R1.267 BrCCOCc1ccccc1I 34a_100000211926_100011215278 [0,2,0,0,0,0|1,0,0]=3 11034 B12R1.267 BrCCOCc1cccnc1Br 34a_100000211926_100010140945 [0,2,0,0,0,0|2,0,0]=4 11035 B12R1.267 BrCCOCc1ncccc1Br 34a_100000211926_100025702911 [0,2,0,0,0,0|2,0,0]=4 11036 B12R1.267 C#CCCNc1ccccc1Br 34a_100000210017_100000688953 [0,2,0,0,0,0|2,0,0]=4 11037 B12R1.267 C#CCCNc1ccccc1C 34a_100015192222_100000688953 [0,2,0,0,0,0|2,0,0]=4 11038 B12R1.267 C#CCCNc1ccccc1Cl 34a_100000185783_100000688953 [0,2,0,0,0,0|2,0,0]=4 11039 B12R1.267 C#CCCNc1ccccc1F 34a_100000210422_100000688953 [0,2,0,0,0,0|2,0,0]=4 11040 B12R1.267 C#CCCNc1ccccc1I 34a_100000210053_100000688953 [0,2,0,0,0,0|2,0,0]=4 11041 B12R1.267 C#CCCNc1ccccc1O 34a_100000185747_100000688953 [0,2,0,0,0,0|2,0,0]=4 11042 B12R1.267 C#CCCOc1cccc[n+]1[O-] 7a_100000211761_100000688953 [0,2,0,0,0,0|2,0,0]=4 11043 B12R1.267 C#CCCOc1ccccc1Br 34a_100000181306_100000688953 [0,2,0,0,0,0|1,0,0]=3 11044 B12R1.267 C#CCCOc1ccccc1Br 7a_100000181306_100000688953 [0,2,0,0,0,0|1,0,0]=3 11045 B12R1.267 C#CCCOc1ccccc1C 34a_100000210338_100000688953 [0,2,0,0,0,0|1,0,0]=3 11046 B12R1.267 C#CCCOc1ccccc1C 7a_100000210338_100000688953 [0,2,0,0,0,0|1,0,0]=3 11047 B12R1.267 C#CCCOc1ccccc1Cl 34a_100000210172_100000688953 [0,2,0,0,0,0|1,0,0]=3 11048 B12R1.267 C#CCCOc1ccccc1Cl 7a_100000210172_100000688953 [0,2,0,0,0,0|1,0,0]=3 11049 B12R1.267 C#CCCOc1ccccc1F 34a_100000210171_100000688953 [0,2,0,0,0,0|1,0,0]=3 11050 B12R1.267 C#CCCOc1ccccc1F 7a_100000210171_100000688953 [0,2,0,0,0,0|1,0,0]=3 11051 B12R1.267 C#CCCOc1ccccc1I 34a_100000739446_100000688953 [0,2,0,0,0,0|1,0,0]=3 11052 B12R1.267 C#CCCOc1ccccc1I 7a_100000739446_100000688953 [0,2,0,0,0,0|1,0,0]=3 11053 B12R1.267 C#CCCOc1ccccc1N 34a_100000185747_100000688953 [0,2,0,0,0,0|1,0,0]=3 11054 B12R1.267 C#CCCOc1ccccc1N 7a_100000185747_100000688953 [0,2,0,0,0,0|1,0,0]=3 11055 B12R1.267 C#CCCOc1cccnc1Br 34a_100000744436_100000688953 [0,2,0,0,0,0|2,0,0]=4 11056 B12R1.267 C#CCCOc1cccnc1Br 7a_100000744436_100000688953 [0,2,0,0,0,0|2,0,0]=4 11057 B12R1.267 C#CCCOc1cccnc1C 34a_100000745507_100000688953 [0,2,0,0,0,0|2,0,0]=4 11058 B12R1.267 C#CCCOc1cccnc1C 7a_100000745507_100000688953 [0,2,0,0,0,0|2,0,0]=4 11059 B12R1.267 C#CCCOc1cccnc1Cl 34a_100000757616_100000688953 [0,2,0,0,0,0|2,0,0]=4 11060 B12R1.267 C#CCCOc1cccnc1Cl 7a_100000757616_100000688953 [0,2,0,0,0,0|2,0,0]=4 11061 B12R1.267 C#CCCOc1cccnc1F 34a_100000061740_100000688953 [0,2,0,0,0,0|2,0,0]=4 11062 B12R1.267 C#CCCOc1cccnc1F 7a_100000061740_100000688953 [0,2,0,0,0,0|2,0,0]=4 11063 B12R1.267 C#CCCOc1cccnc1I 34a_100000034122_100000688953 [0,2,0,0,0,0|2,0,0]=4 11064 B12R1.267 C#CCCOc1cccnc1I 7a_100000034122_100000688953 [0,2,0,0,0,0|2,0,0]=4 11065 B12R1.267 C#CCCOc1cccnc1N 34a_100000211975_100000688953 [0,2,0,0,0,0|2,0,0]=4 11066 B12R1.267 C#CCCOc1cccnc1N 7a_100000211975_100000688953 [0,2,0,0,0,0|2,0,0]=4 11067 B12R1.267 C#CCCOc1cccoc1=O 34a_100000077404_100000688953 [0,2,0,0,0,0|2,0,0]=4 11068 B12R1.267 C#CCCOc1cccoc1=O 7a_100000077404_100000688953 [0,2,0,0,0,0|2,0,0]=4 11069 B12R1.267 C#CCCOc1ccncc1Br 34a_100011996408_100000688953 [0,2,0,0,0,0|2,0,0]=4 11070 B12R1.267 C#CCCOc1ccncc1C 34a_100000694293_100000688953 [0,2,0,0,0,0|2,0,0]=4 11071 B12R1.267 C#CCCOc1ccncc1Cl 34a_100011997054_100000688953 [0,2,0,0,0,0|2,0,0]=4 11072 B12R1.267 C#CCCOc1ccncc1F 34a_200000081243_100000688953 [0,2,0,0,0,0|2,0,0]=4 11073 B12R1.267 C#CCCOc1cnccc1C 34a_100011997053_100000688953 [0,2,0,0,0,0|2,0,0]=4 11074 B12R1.267 C#CCCOc1cnccc1C 7a_100011997053_100000688953 [0,2,0,0,0,0|2,0,0]=4 11075 B12R1.267 C#CCCOc1cnccc1Cl 34a_100011996695_100000688953 [0,2,0,0,0,0|2,0,0]=4 11076 B12R1.267 C#CCCOc1cnccc1I 34a_100000050107_100000688953 [0,2,0,0,0,0|2,0,0]=4 11077 B12R1.267 C#CCCOc1cnccc1N 34a_100000753702_100000688953 [0,2,0,0,0,0|2,0,0]=4 11078 B12R1.267 C#CCCOc1coccc1=O 34a_100000060831_100000688953 [0,2,0,0,0,0|2,0,0]=4 11079 B12R1.267 C#CCCOc1ncccc1Cl 34a_100011290957_100000688953 [0,2,0,0,0,0|2,0,0]=4 11080 B12R1.267 C#CCCOc1ncccc1F 34a_100011219419_100000688953 [0,2,0,0,0,0|2,0,0]=4 11081 B12R1.267 C#CCCOc1ncccc1N 34a_100000746358_100000688953 [0,2,0,0,0,0|2,0,0]=4 11082 B12R1.267 C#CCCSc1ccccc1Br 62a_100000688953_100000695589 [0,2,0,0,0,0|1,1,0]=4 11083 B12R1.267 C#CCCSc1ccccc1Br 62a_100000695589_100000688953 [0,2,0,0,0,0|1,1,0]=4 11084 B12R1.267 C#CCCSc1ccccc1C 62a_100000210755_100000688953 [0,2,0,0,0,0|1,1,0]=4 11085 B12R1.267 C#CCCSc1ccccc1C 62a_100000688953_100000210755 [0,2,0,0,0,0|1,1,0]=4 11086 B12R1.267 C#CCCSc1ccccc1Cl 62a_100000688953_100000764095 [0,2,0,0,0,0|1,1,0]=4 11087 B12R1.267 C#CCCSc1ccccc1Cl 62a_100000764095_100000688953 [0,2,0,0,0,0|1,1,0]=4 11088 B12R1.267 C#CCCSc1ccccc1F 62a_100000688953_100011215700 [0,2,0,0,0,0|1,1,0]=4 11089 B12R1.267 C#CCCSc1ccccc1F 62a_100011215700_100000688953 [0,2,0,0,0,0|1,1,0]=4 11090 B12R1.267 C#CCCSc1ccccc1N 62a_100000210017_100000688953 [0,2,0,0,0,0|1,1,0]=4 11091 B12R1.267 C#CCCSc1ccccc1N 62a_100000688953_100000210017 [0,2,0,0,0,0|1,1,0]=4 11092 B12R1.267 C#CCCSc1ccccc1O 62a_100000688953_100000739446 [0,2,0,0,0,0|1,1,0]=4 11093 B12R1.267 C#CCCSc1ccccc1O 62a_100000739446_100000688953 [0,2,0,0,0,0|1,1,0]=4 11094 B12R1.267 C#CCOCc1ccccc1Br 34a_100000210247_100000184730 [0,2,0,0,0,0|1,0,1]=4 11095 B12R1.267 C#CCOCc1ccccc1Br 34a_100000756307_100000184674 [0,2,0,0,0,0|1,0,1]=4 11096 B12R1.267 C#CCOCc1ccccc1Br 7a_100000756307_100000038162 [0,2,0,0,0,0|1,0,1]=4 11097 B12R1.267 C#CCOCc1ccccc1C 34a_100000210247_100000211839 [0,2,0,0,0,0|1,0,1]=4 11098 B12R1.267 C#CCOCc1ccccc1C 34a_100000698903_100000184674 [0,2,0,0,0,0|1,0,1]=4 11099 B12R1.267 C#CCOCc1ccccc1C 7a_100000698903_100000038162 [0,2,0,0,0,0|1,0,1]=4 11100 B12R1.267 C#CCOCc1ccccc1Cl 34a_100000210247_100000187162 [0,2,0,0,0,0|1,0,1]=4 11101 B12R1.267 C#CCOCc1ccccc1Cl 34a_100000210847_100000184674 [0,2,0,0,0,0|1,0,1]=4 11102 B12R1.267 C#CCOCc1ccccc1Cl 7a_100000210847_100000038162 [0,2,0,0,0,0|1,0,1]=4 11103 B12R1.267 C#CCOCc1ccccc1F 34a_100000210247_100000211605 [0,2,0,0,0,0|1,0,1]=4 11104 B12R1.267 C#CCOCc1ccccc1F 34a_100000211962_100000184674 [0,2,0,0,0,0|1,0,1]=4 11105 B12R1.267 C#CCOCc1ccccc1F 7a_100000211962_100000038162 [0,2,0,0,0,0|1,0,1]=4 11106 B12R1.267 C#CCOCc1ccccc1I 34a_100000187465_100000184674 [0,2,0,0,0,0|1,0,1]=4 11107 B12R1.267 C#CCOCc1ccccc1I 34a_100000210247_100011215278 [0,2,0,0,0,0|1,0,1]=4 11108 B12R1.267 C#CCOCc1ccccc1I 7a_100000187465_100000038162 [0,2,0,0,0,0|1,0,1]=4 11109 B12R1.267 C#CCOCc1ccccc1N 34a_100000212039_100000184674 [0,2,0,0,0,0|1,0,1]=4 11110 B12R1.267 C/C=C/COc1ccccc1Br 34a_100000181306_100102629194 [0,2,0,0,0,0|1,0,1]=4 11111 B12R1.267 C/C=C/COc1ccccc1Br 7a_100000181306_100102629194 [0,2,0,0,0,0|1,0,1]=4 11112 B12R1.267 C/C=C/COc1ccccc1C 34a_100000210338_100102629194 [0,2,0,0,0,0|1,0,1]=4 11113 B12R1.267 C/C=C/COc1ccccc1C 7a_100000210338_100102629194 [0,2,0,0,0,0|1,0,1]=4 11114 B12R1.267 C/C=C/COc1ccccc1Cl 34a_100000210172_100102629194 [0,2,0,0,0,0|1,0,1]=4 11115 B12R1.267 C/C=C/COc1ccccc1Cl 7a_100000210172_100102629194 [0,2,0,0,0,0|1,0,1]=4 11116 B12R1.267 C/C=C/COc1ccccc1F 34a_100000210171_100102629194 [0,2,0,0,0,0|1,0,1]=4 11117 B12R1.267 C/C=C/COc1ccccc1F 7a_100000210171_100102629194 [0,2,0,0,0,0|1,0,1]=4 11118 B12R1.267 C/C=C/COc1ccccc1I 34a_100000739446_100102629194 [0,2,0,0,0,0|1,0,1]=4 11119 B12R1.267 C/C=C/COc1ccccc1I 7a_100000739446_100102629194 [0,2,0,0,0,0|1,0,1]=4 11120 B12R1.267 C/C=C/COc1ccccc1N 34a_100000185747_100102629194 [0,2,0,0,0,0|1,0,1]=4 11121 B12R1.267 C/C=C/COc1ccccc1N 7a_100000185747_100102629194 [0,2,0,0,0,0|1,0,1]=4 11122 B12R1.267 C=CCCNc1ccccc1Br 34a_100000210017_100000754431 [0,2,0,0,0,0|2,0,0]=4 11123 B12R1.267 C=CCCNc1ccccc1C 34a_100015192222_100000754431 [0,2,0,0,0,0|2,0,0]=4 11124 B12R1.267 C=CCCNc1ccccc1Cl 34a_100000185783_100000754431 [0,2,0,0,0,0|2,0,0]=4 11125 B12R1.267 C=CCCNc1ccccc1F 34a_100000210422_100000754431 [0,2,0,0,0,0|2,0,0]=4 11126 B12R1.267 C=CCCNc1ccccc1I 34a_100000210053_100000754431 [0,2,0,0,0,0|2,0,0]=4 11127 B12R1.267 C=CCCNc1ccccc1O 34a_100000185747_100000754431 [0,2,0,0,0,0|2,0,0]=4 11128 B12R1.267 C=CCCOc1cccc[n+]1[O-] 7a_100000211761_100000754431 [0,2,0,0,0,0|2,0,0]=4 11129 B12R1.267 C=CCCOc1ccccc1Br 34a_100000181306_100000754431 [0,2,0,0,0,0|1,0,0]=3 11130 B12R1.267 C=CCCOc1ccccc1Br 7a_100000181306_100000754431 [0,2,0,0,0,0|1,0,0]=3 11131 B12R1.267 C=CCCOc1ccccc1C 34a_100000210338_100000754431 [0,2,0,0,0,0|1,0,0]=3 11132 B12R1.267 C=CCCOc1ccccc1C 7a_100000210338_100000754431 [0,2,0,0,0,0|1,0,0]=3 11133 B12R1.267 C=CCCOc1ccccc1Cl 34a_100000210172_100000754431 [0,2,0,0,0,0|1,0,0]=3 11134 B12R1.267 C=CCCOc1ccccc1Cl 7a_100000210172_100000754431 [0,2,0,0,0,0|1,0,0]=3 11135 B12R1.267 C=CCCOc1ccccc1F 34a_100000210171_100000754431 [0,2,0,0,0,0|1,0,0]=3 11136 B12R1.267 C=CCCOc1ccccc1F 7a_100000210171_100000754431 [0,2,0,0,0,0|1,0,0]=3 11137 B12R1.267 C=CCCOc1ccccc1I 34a_100000739446_100000754431 [0,2,0,0,0,0|1,0,0]=3 11138 B12R1.267 C=CCCOc1ccccc1I 7a_100000739446_100000754431 [0,2,0,0,0,0|1,0,0]=3 11139 B12R1.267 C=CCCOc1ccccc1N 34a_100000185747_100000754431 [0,2,0,0,0,0|1,0,0]=3 11140 B12R1.267 C=CCCOc1ccccc1N 7a_100000185747_100000754431 [0,2,0,0,0,0|1,0,0]=3 11141 B12R1.267 C=CCCOc1cccnc1Br 34a_100000744436_100000754431 [0,2,0,0,0,0|2,0,0]=4 11142 B12R1.267 C=CCCOc1cccnc1Br 7a_100000744436_100000754431 [0,2,0,0,0,0|2,0,0]=4 11143 B12R1.267 C=CCCOc1cccnc1C 34a_100000745507_100000754431 [0,2,0,0,0,0|2,0,0]=4 11144 B12R1.267 C=CCCOc1cccnc1C 7a_100000745507_100000754431 [0,2,0,0,0,0|2,0,0]=4 11145 B12R1.267 C=CCCOc1cccnc1Cl 34a_100000757616_100000754431 [0,2,0,0,0,0|2,0,0]=4 11146 B12R1.267 C=CCCOc1cccnc1Cl 7a_100000757616_100000754431 [0,2,0,0,0,0|2,0,0]=4 11147 B12R1.267 C=CCCOc1cccnc1F 34a_100000061740_100000754431 [0,2,0,0,0,0|2,0,0]=4 11148 B12R1.267 C=CCCOc1cccnc1F 7a_100000061740_100000754431 [0,2,0,0,0,0|2,0,0]=4 11149 B12R1.267 C=CCCOc1cccnc1I 34a_100000034122_100000754431 [0,2,0,0,0,0|2,0,0]=4 11150 B12R1.267 C=CCCOc1cccnc1I 7a_100000034122_100000754431 [0,2,0,0,0,0|2,0,0]=4 11151 B12R1.267 C=CCCOc1cccnc1N 34a_100000211975_100000754431 [0,2,0,0,0,0|2,0,0]=4 11152 B12R1.267 C=CCCOc1cccnc1N 7a_100000211975_100000754431 [0,2,0,0,0,0|2,0,0]=4 11153 B12R1.267 C=CCCOc1cccoc1=O 34a_100000077404_100000754431 [0,2,0,0,0,0|2,0,0]=4 11154 B12R1.267 C=CCCOc1cccoc1=O 7a_100000077404_100000754431 [0,2,0,0,0,0|2,0,0]=4 11155 B12R1.267 C=CCCOc1ccncc1Br 34a_100011996408_100000754431 [0,2,0,0,0,0|2,0,0]=4 11156 B12R1.267 C=CCCOc1ccncc1C 34a_100000694293_100000754431 [0,2,0,0,0,0|2,0,0]=4 11157 B12R1.267 C=CCCOc1ccncc1Cl 34a_100011997054_100000754431 [0,2,0,0,0,0|2,0,0]=4 11158 B12R1.267 C=CCCOc1ccncc1F 34a_200000081243_100000754431 [0,2,0,0,0,0|2,0,0]=4 11159 B12R1.267 C=CCCOc1cnccc1C 34a_100011997053_100000754431 [0,2,0,0,0,0|2,0,0]=4 11160 B12R1.267 C=CCCOc1cnccc1C 7a_100011997053_100000754431 [0,2,0,0,0,0|2,0,0]=4 11161 B12R1.267 C=CCCOc1cnccc1Cl 34a_100011996695_100000754431 [0,2,0,0,0,0|2,0,0]=4 11162 B12R1.267 C=CCCOc1cnccc1I 34a_100000050107_100000754431 [0,2,0,0,0,0|2,0,0]=4 11163 B12R1.267 C=CCCOc1cnccc1N 34a_100000753702_100000754431 [0,2,0,0,0,0|2,0,0]=4 11164 B12R1.267 C=CCCOc1coccc1=O 34a_100000060831_100000754431 [0,2,0,0,0,0|2,0,0]=4 11165 B12R1.267 C=CCCOc1ncccc1Cl 34a_100011290957_100000754431 [0,2,0,0,0,0|2,0,0]=4 11166 B12R1.267 C=CCCOc1ncccc1F 34a_100011219419_100000754431 [0,2,0,0,0,0|2,0,0]=4 11167 B12R1.267 C=CCCOc1ncccc1N 34a_100000746358_100000754431 [0,2,0,0,0,0|2,0,0]=4 11168 B12R1.267 C=CCCSc1ccccc1Br 62a_100000695589_100000754431 [0,2,0,0,0,0|1,1,0]=4 11169 B12R1.267 C=CCCSc1ccccc1Br 62a_100000754431_100000695589 [0,2,0,0,0,0|1,1,0]=4 11170 B12R1.267 C=CCCSc1ccccc1C 62a_100000210755_100000754431 [0,2,0,0,0,0|1,1,0]=4 11171 B12R1.267 C=CCCSc1ccccc1C 62a_100000754431_100000210755 [0,2,0,0,0,0|1,1,0]=4 11172 B12R1.267 C=CCCSc1ccccc1Cl 62a_100000754431_100000764095 [0,2,0,0,0,0|1,1,0]=4 11173 B12R1.267 C=CCCSc1ccccc1Cl 62a_100000764095_100000754431 [0,2,0,0,0,0|1,1,0]=4 11174 B12R1.267 C=CCCSc1ccccc1F 62a_100000754431_100011215700 [0,2,0,0,0,0|1,1,0]=4 11175 B12R1.267 C=CCCSc1ccccc1F 62a_100011215700_100000754431 [0,2,0,0,0,0|1,1,0]=4 11176 B12R1.267 C=CCCSc1ccccc1N 62a_100000210017_100000754431 [0,2,0,0,0,0|1,1,0]=4 11177 B12R1.267 C=CCCSc1ccccc1N 62a_100000754431_100000210017 [0,2,0,0,0,0|1,1,0]=4 11178 B12R1.267 C=CCCSc1ccccc1O 62a_100000739446_100000754431 [0,2,0,0,0,0|1,1,0]=4 11179 B12R1.267 C=CCCSc1ccccc1O 62a_100000754431_100000739446 [0,2,0,0,0,0|1,1,0]=4 11180 B12R1.267 C=CCOCc1ccccc1Br 34a_100000756307_100015514636 [0,2,0,0,0,0|1,0,1]=4 11181 B12R1.267 C=CCOCc1ccccc1Br 34a_200000210373_100000184730 [0,2,0,0,0,0|1,0,1]=4 11182 B12R1.267 C=CCOCc1ccccc1Br 7a_100000756307_100015514636 [0,2,0,0,0,0|1,0,1]=4 11183 B12R1.267 C=CCOCc1ccccc1C 34a_100000698903_100015514636 [0,2,0,0,0,0|1,0,1]=4 11184 B12R1.267 C=CCOCc1ccccc1C 34a_200000210373_100000211839 [0,2,0,0,0,0|1,0,1]=4 11185 B12R1.267 C=CCOCc1ccccc1C 7a_100000698903_100015514636 [0,2,0,0,0,0|1,0,1]=4 11186 B12R1.267 C=CCOCc1ccccc1Cl 34a_100000210847_100015514636 [0,2,0,0,0,0|1,0,1]=4 11187 B12R1.267 C=CCOCc1ccccc1Cl 34a_200000210373_100000187162 [0,2,0,0,0,0|1,0,1]=4 11188 B12R1.267 C=CCOCc1ccccc1Cl 7a_100000210847_100015514636 [0,2,0,0,0,0|1,0,1]=4 11189 B12R1.267 C=CCOCc1ccccc1F 34a_100000211962_100015514636 [0,2,0,0,0,0|1,0,1]=4 11190 B12R1.267 C=CCOCc1ccccc1F 34a_200000210373_100000211605 [0,2,0,0,0,0|1,0,1]=4 11191 B12R1.267 C=CCOCc1ccccc1F 7a_100000211962_100015514636 [0,2,0,0,0,0|1,0,1]=4 11192 B12R1.267 C=CCOCc1ccccc1I 34a_100000187465_100015514636 [0,2,0,0,0,0|1,0,1]=4 11193 B12R1.267 C=CCOCc1ccccc1I 34a_200000210373_100011215278 [0,2,0,0,0,0|1,0,1]=4 11194 B12R1.267 C=CCOCc1ccccc1I 7a_100000187465_100015514636 [0,2,0,0,0,0|1,0,1]=4 11195 B12R1.267 C=CCOCc1ccccc1N 34a_100000212039_100015514636 [0,2,0,0,0,0|1,0,1]=4 11196 B12R1.267 CC#CCOc1ccccc1Br 34a_100000181306_100000748600 [0,2,0,0,0,0|1,0,1]=4 11197 B12R1.267 CC#CCOc1ccccc1Br 7a_100000181306_100000748600 [0,2,0,0,0,0|1,0,1]=4 11198 B12R1.267 CC#CCOc1ccccc1C 34a_100000210338_100000748600 [0,2,0,0,0,0|1,0,1]=4 11199 B12R1.267 CC#CCOc1ccccc1C 7a_100000210338_100000748600 [0,2,0,0,0,0|1,0,1]=4 11200 B12R1.267 CC#CCOc1ccccc1Cl 34a_100000210172_100000748600 [0,2,0,0,0,0|1,0,1]=4 11201 B12R1.267 CC#CCOc1ccccc1Cl 7a_100000210172_100000748600 [0,2,0,0,0,0|1,0,1]=4 11202 B12R1.267 CC#CCOc1ccccc1F 34a_100000210171_100000748600 [0,2,0,0,0,0|1,0,1]=4 11203 B12R1.267 CC#CCOc1ccccc1F 7a_100000210171_100000748600 [0,2,0,0,0,0|1,0,1]=4 11204 B12R1.267 CC#CCOc1ccccc1I 34a_100000739446_100000748600 [0,2,0,0,0,0|1,0,1]=4 11205 B12R1.267 CC#CCOc1ccccc1I 7a_100000739446_100000748600 [0,2,0,0,0,0|1,0,1]=4 11206 B12R1.267 CC#CCOc1ccccc1N 34a_100000185747_100000748600 [0,2,0,0,0,0|1,0,1]=4 11207 B12R1.267 CC#CCOc1ccccc1N 7a_100000185747_100000748600 [0,2,0,0,0,0|1,0,1]=4 11208 B12R1.267 CC=CCOc1ccccc1Br 34a_100000181306_100000070051 [0,2,0,0,0,0|1,0,1]=4 11209 B12R1.267 CC=CCOc1ccccc1Br 7a_100000181306_100000070051 [0,2,0,0,0,0|1,0,1]=4 11210 B12R1.267 CC=CCOc1ccccc1C 34a_100000210338_100000070051 [0,2,0,0,0,0|1,0,1]=4 11211 B12R1.267 CC=CCOc1ccccc1C 7a_100000210338_100000070051 [0,2,0,0,0,0|1,0,1]=4 11212 B12R1.267 CC=CCOc1ccccc1Cl 34a_100000210172_100000070051 [0,2,0,0,0,0|1,0,1]=4 11213 B12R1.267 CC=CCOc1ccccc1Cl 7a_100000210172_100000070051 [0,2,0,0,0,0|1,0,1]=4 11214 B12R1.267 CC=CCOc1ccccc1F 34a_100000210171_100000070051 [0,2,0,0,0,0|1,0,1]=4 11215 B12R1.267 CC=CCOc1ccccc1F 7a_100000210171_100000070051 [0,2,0,0,0,0|1,0,1]=4 11216 B12R1.267 CC=CCOc1ccccc1I 34a_100000739446_100000070051 [0,2,0,0,0,0|1,0,1]=4 11217 B12R1.267 CC=CCOc1ccccc1I 7a_100000739446_100000070051 [0,2,0,0,0,0|1,0,1]=4 11218 B12R1.267 CC=CCOc1ccccc1N 34a_100000185747_100000070051 [0,2,0,0,0,0|1,0,1]=4 11219 B12R1.267 CC=CCOc1ccccc1N 7a_100000185747_100000070051 [0,2,0,0,0,0|1,0,1]=4 11220 B12R1.267 CCCC=Cc1ccccc1Br 271570a_100016258520_100000695589 [0,2,0,0,0,0|2,0,0]=4 11221 B12R1.267 CCCC=Cc1ccccc1C 271570a_100016258520_100000210755 [0,2,0,0,0,0|2,0,0]=4 11222 B12R1.267 CCCC=Cc1ccccc1Cl 271570a_100016258520_100000764095 [0,2,0,0,0,0|2,0,0]=4 11223 B12R1.267 CCCC=Cc1ccccc1F 271570a_100016258520_100011215700 [0,2,0,0,0,0|2,0,0]=4 11224 B12R1.267 CCCC=Cc1ccccc1N 271570a_100016258520_100000210017 [0,2,0,0,0,0|2,0,0]=4 11225 B12R1.267 CCCC=Cc1ccccc1O 271570a_100016258520_100000739446 [0,2,0,0,0,0|2,0,0]=4 11226 B12R1.267 CCCCNc1ccccc1Br 34a_100000210017_100000210210 [0,2,0,0,0,0|2,0,0]=4 11227 B12R1.267 CCCCNc1ccccc1C 34a_100015192222_100000210210 [0,2,0,0,0,0|2,0,0]=4 11228 B12R1.267 CCCCNc1ccccc1Cl 34a_100000185783_100000210210 [0,2,0,0,0,0|2,0,0]=4 11229 B12R1.267 CCCCNc1ccccc1F 34a_100000210422_100000210210 [0,2,0,0,0,0|2,0,0]=4 11230 B12R1.267 CCCCNc1ccccc1I 34a_100000210053_100000210210 [0,2,0,0,0,0|2,0,0]=4 11231 B12R1.267 CCCCNc1ccccc1O 34a_100000185747_100000210210 [0,2,0,0,0,0|2,0,0]=4 11232 B12R1.267 CCCCOc1cccc[n+]1[O-] 7a_100000211761_100000210211 [0,2,0,0,0,0|2,0,0]=4 11233 B12R1.267 CCCCOc1ccccc1Br 34a_100000181306_100000210210 [0,2,0,0,0,0|1,0,0]=3 11234 B12R1.267 CCCCOc1ccccc1Br 7a_100000181306_100000210211 [0,2,0,0,0,0|1,0,0]=3 11235 B12R1.267 CCCCOc1ccccc1C 34a_100000210338_100000210210 [0,2,0,0,0,0|1,0,0]=3 11236 B12R1.267 CCCCOc1ccccc1C 7a_100000210338_100000210211 [0,2,0,0,0,0|1,0,0]=3 11237 B12R1.267 CCCCOc1ccccc1Cl 34a_100000210172_100000210210 [0,2,0,0,0,0|1,0,0]=3 11238 B12R1.267 CCCCOc1ccccc1Cl 7a_100000210172_100000210211 [0,2,0,0,0,0|1,0,0]=3 11239 B12R1.267 CCCCOc1ccccc1F 34a_100000210171_100000210210 [0,2,0,0,0,0|1,0,0]=3 11240 B12R1.267 CCCCOc1ccccc1F 7a_100000210171_100000210211 [0,2,0,0,0,0|1,0,0]=3 11241 B12R1.267 CCCCOc1ccccc1I 34a_100000739446_100000210210 [0,2,0,0,0,0|1,0,0]=3 11242 B12R1.267 CCCCOc1ccccc1I 7a_100000739446_100000210211 [0,2,0,0,0,0|1,0,0]=3 11243 B12R1.267 CCCCOc1ccccc1N 34a_100000185747_100000210210 [0,2,0,0,0,0|1,0,0]=3 11244 B12R1.267 CCCCOc1ccccc1N 7a_100000185747_100000210211 [0,2,0,0,0,0|1,0,0]=3 11245 B12R1.267 CCCCOc1ccccc1O 271570a_203496583355_100000230755 [0,2,0,0,0,0|1,0,0]=3 11246 B12R1.267 CCCCOc1cccnc1Br 34a_100000744436_100000210210 [0,2,0,0,0,0|2,0,0]=4 11247 B12R1.267 CCCCOc1cccnc1Br 7a_100000744436_100000210211 [0,2,0,0,0,0|2,0,0]=4 11248 B12R1.267 CCCCOc1cccnc1C 34a_100000745507_100000210210 [0,2,0,0,0,0|2,0,0]=4 11249 B12R1.267 CCCCOc1cccnc1C 7a_100000745507_100000210211 [0,2,0,0,0,0|2,0,0]=4 11250 B12R1.267 CCCCOc1cccnc1Cl 34a_100000757616_100000210210 [0,2,0,0,0,0|2,0,0]=4 11251 B12R1.267 CCCCOc1cccnc1Cl 7a_100000757616_100000210211 [0,2,0,0,0,0|2,0,0]=4 11252 B12R1.267 CCCCOc1cccnc1F 34a_100000061740_100000210210 [0,2,0,0,0,0|2,0,0]=4 11253 B12R1.267 CCCCOc1cccnc1F 7a_100000061740_100000210211 [0,2,0,0,0,0|2,0,0]=4 11254 B12R1.267 CCCCOc1cccnc1I 34a_100000034122_100000210210 [0,2,0,0,0,0|2,0,0]=4 11255 B12R1.267 CCCCOc1cccnc1I 7a_100000034122_100000210211 [0,2,0,0,0,0|2,0,0]=4 11256 B12R1.267 CCCCOc1cccnc1N 34a_100000211975_100000210210 [0,2,0,0,0,0|2,0,0]=4 11257 B12R1.267 CCCCOc1cccnc1N 7a_100000211975_100000210211 [0,2,0,0,0,0|2,0,0]=4 11258 B12R1.267 CCCCOc1cccoc1=O 34a_100000077404_100000210210 [0,2,0,0,0,0|2,0,0]=4 11259 B12R1.267 CCCCOc1cccoc1=O 7a_100000077404_100000210211 [0,2,0,0,0,0|2,0,0]=4 11260 B12R1.267 CCCCOc1ccncc1Br 34a_100011996408_100000210210 [0,2,0,0,0,0|2,0,0]=4 11261 B12R1.267 CCCCOc1ccncc1C 34a_100000694293_100000210210 [0,2,0,0,0,0|2,0,0]=4 11262 B12R1.267 CCCCOc1ccncc1Cl 34a_100011997054_100000210210 [0,2,0,0,0,0|2,0,0]=4 11263 B12R1.267 CCCCOc1ccncc1F 34a_200000081243_100000210210 [0,2,0,0,0,0|2,0,0]=4 11264 B12R1.267 CCCCOc1cnccc1C 34a_100011997053_100000210210 [0,2,0,0,0,0|2,0,0]=4 11265 B12R1.267 CCCCOc1cnccc1C 7a_100011997053_100000210211 [0,2,0,0,0,0|2,0,0]=4 11266 B12R1.267 CCCCOc1cnccc1Cl 34a_100011996695_100000210210 [0,2,0,0,0,0|2,0,0]=4 11267 B12R1.267 CCCCOc1cnccc1I 34a_100000050107_100000210210 [0,2,0,0,0,0|2,0,0]=4 11268 B12R1.267 CCCCOc1cnccc1N 34a_100000753702_100000210210 [0,2,0,0,0,0|2,0,0]=4 11269 B12R1.267 CCCCOc1coccc1=O 34a_100000060831_100000210210 [0,2,0,0,0,0|2,0,0]=4 11270 B12R1.267 CCCCOc1ncccc1Cl 34a_100011290957_100000210210 [0,2,0,0,0,0|2,0,0]=4 11271 B12R1.267 CCCCOc1ncccc1F 34a_100011219419_100000210210 [0,2,0,0,0,0|2,0,0]=4 11272 B12R1.267 CCCCOc1ncccc1N 34a_100000746358_100000210210 [0,2,0,0,0,0|2,0,0]=4 11273 B12R1.267 CCCCSc1ccccc1Br 62a_100000210211_100000695589 [0,2,0,0,0,0|1,1,0]=4 11274 B12R1.267 CCCCSc1ccccc1Br 62a_100000695589_100000210210 [0,2,0,0,0,0|1,1,0]=4 11275 B12R1.267 CCCCSc1ccccc1C 62a_100000210211_100000210755 [0,2,0,0,0,0|1,1,0]=4 11276 B12R1.267 CCCCSc1ccccc1C 62a_100000210755_100000210210 [0,2,0,0,0,0|1,1,0]=4 11277 B12R1.267 CCCCSc1ccccc1Cl 62a_100000210211_100000764095 [0,2,0,0,0,0|1,1,0]=4 11278 B12R1.267 CCCCSc1ccccc1Cl 62a_100000764095_100000210210 [0,2,0,0,0,0|1,1,0]=4 11279 B12R1.267 CCCCSc1ccccc1F 62a_100000210211_100011215700 [0,2,0,0,0,0|1,1,0]=4 11280 B12R1.267 CCCCSc1ccccc1F 62a_100011215700_100000210210 [0,2,0,0,0,0|1,1,0]=4 11281 B12R1.267 CCCCSc1ccccc1N 62a_100000210017_100000210210 [0,2,0,0,0,0|1,1,0]=4 11282 B12R1.267 CCCCSc1ccccc1N 62a_100000210211_100000210017 [0,2,0,0,0,0|1,1,0]=4 11283 B12R1.267 CCCCSc1ccccc1O 62a_100000210211_100000739446 [0,2,0,0,0,0|1,1,0]=4 11284 B12R1.267 CCCCSc1ccccc1O 62a_100000739446_100000210210 [0,2,0,0,0,0|1,1,0]=4 11285 B12R1.267 CCCNCc1ccccc1Br 207a_100020643023_100000211189 [0,2,0,0,0,0|2,0,0]=4 11286 B12R1.267 CCCNCc1ccccc1Br 2230a_100000689332_100000210303 [0,2,0,0,0,0|2,0,0]=4 11287 B12R1.267 CCCNCc1ccccc1Br 270004a_100020643023_100000211189 [0,2,0,0,0,0|2,0,0]=4 11288 B12R1.267 CCCNCc1ccccc1Br 34a_100000689332_100000210303 [0,2,0,0,0,0|2,0,0]=4 11289 B12R1.267 CCCNCc1ccccc1C 207a_100020643023_100000211143 [0,2,0,0,0,0|2,0,0]=4 11290 B12R1.267 CCCNCc1ccccc1C 270004a_100020643023_100000211143 [0,2,0,0,0,0|2,0,0]=4 11291 B12R1.267 CCCNCc1ccccc1C 34a_100000174972_100000210303 [0,2,0,0,0,0|2,0,0]=4 11292 B12R1.267 CCCNCc1ccccc1Cl 207a_100020643023_100000210073 [0,2,0,0,0,0|2,0,0]=4 11293 B12R1.267 CCCNCc1ccccc1Cl 2230a_100000174879_100000210303 [0,2,0,0,0,0|2,0,0]=4 11294 B12R1.267 CCCNCc1ccccc1Cl 270004a_100020643023_100000210073 [0,2,0,0,0,0|2,0,0]=4 11295 B12R1.267 CCCNCc1ccccc1Cl 34a_100000174879_100000210303 [0,2,0,0,0,0|2,0,0]=4 11296 B12R1.267 CCCNCc1ccccc1F 207a_100020643023_100000210811 [0,2,0,0,0,0|2,0,0]=4 11297 B12R1.267 CCCNCc1ccccc1F 270004a_100020643023_100000210811 [0,2,0,0,0,0|2,0,0]=4 11298 B12R1.267 CCCNCc1ccccc1F 34a_100000174869_100000210303 [0,2,0,0,0,0|2,0,0]=4 11299 B12R1.267 CCCNCc1ccccc1I 207a_100020643023_100000010305 [0,2,0,0,0,0|2,0,0]=4 11300 B12R1.267 CCCNCc1ccccc1I 270004a_100020643023_100000010305 [0,2,0,0,0,0|2,0,0]=4 11301 B12R1.267 CCCNCc1ccccc1O 271570a_203496583355_100000196483 [0,2,0,0,0,0|2,0,0]=4 11302 B12R1.267 CCCNCc1ccccc1O 34a_100000185550_100000210303 [0,2,0,0,0,0|2,0,0]=4 11303 B12R1.267 CCCOCc1ccccc1Br 34a_100000210258_100000184730 [0,2,0,0,0,0|1,0,0]=3 11304 B12R1.267 CCCOCc1ccccc1Br 34a_100000756307_100000210303 [0,2,0,0,0,0|1,0,0]=3 11305 B12R1.267 CCCOCc1ccccc1Br 7a_100000756307_100000210303 [0,2,0,0,0,0|1,0,0]=3 11306 B12R1.267 CCCOCc1ccccc1C 34a_100000210258_100000211839 [0,2,0,0,0,0|1,0,0]=3 11307 B12R1.267 CCCOCc1ccccc1C 34a_100000698903_100000210303 [0,2,0,0,0,0|1,0,0]=3 11308 B12R1.267 CCCOCc1ccccc1C 7a_100000698903_100000210303 [0,2,0,0,0,0|1,0,0]=3 11309 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210258_100000187162 [0,2,0,0,0,0|1,0,0]=3 11310 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210847_100000210303 [0,2,0,0,0,0|1,0,0]=3 11311 B12R1.267 CCCOCc1ccccc1Cl 7a_100000210847_100000210303 [0,2,0,0,0,0|1,0,0]=3 11312 B12R1.267 CCCOCc1ccccc1F 34a_100000210258_100000211605 [0,2,0,0,0,0|1,0,0]=3 11313 B12R1.267 CCCOCc1ccccc1F 34a_100000211962_100000210303 [0,2,0,0,0,0|1,0,0]=3 11314 B12R1.267 CCCOCc1ccccc1F 7a_100000211962_100000210303 [0,2,0,0,0,0|1,0,0]=3 11315 B12R1.267 CCCOCc1ccccc1I 34a_100000187465_100000210303 [0,2,0,0,0,0|1,0,0]=3 11316 B12R1.267 CCCOCc1ccccc1I 34a_100000210258_100011215278 [0,2,0,0,0,0|1,0,0]=3 11317 B12R1.267 CCCOCc1ccccc1I 7a_100000187465_100000210303 [0,2,0,0,0,0|1,0,0]=3 11318 B12R1.267 CCCOCc1ccccc1N 34a_100000212039_100000210303 [0,2,0,0,0,0|1,0,0]=3 11319 B12R1.267 CCCOCc1cccnc1Br 34a_100000210258_100010140945 [0,2,0,0,0,0|2,0,0]=4 11320 B12R1.267 CCCOCc1cccnc1Br 34a_100000719692_100000210303 [0,2,0,0,0,0|2,0,0]=4 11321 B12R1.267 CCCOCc1cccnc1Br 7a_100000719692_100000210303 [0,2,0,0,0,0|2,0,0]=4 11322 B12R1.267 CCCOCc1cccnc1C 34a_100000210258_100000732876 [0,2,0,0,0,0|2,0,0]=4 11323 B12R1.267 CCCOCc1cccnc1C 34a_100000729262_100000210303 [0,2,0,0,0,0|2,0,0]=4 11324 B12R1.267 CCCOCc1cccnc1C 7a_100000729262_100000210303 [0,2,0,0,0,0|2,0,0]=4 11325 B12R1.267 CCCOCc1cccnc1Cl 34a_100000210258_100000045678 [0,2,0,0,0,0|2,0,0]=4 11326 B12R1.267 CCCOCc1cccnc1Cl 34a_100000748726_100000210303 [0,2,0,0,0,0|2,0,0]=4 11327 B12R1.267 CCCOCc1cccnc1Cl 7a_100000748726_100000210303 [0,2,0,0,0,0|2,0,0]=4 11328 B12R1.267 CCCOCc1cccnc1F 34a_100000079888_100000210303 [0,2,0,0,0,0|2,0,0]=4 11329 B12R1.267 CCCOCc1cccnc1F 34a_100000210258_100000099810 [0,2,0,0,0,0|2,0,0]=4 11330 B12R1.267 CCCOCc1cccnc1F 7a_100000079888_100000210303 [0,2,0,0,0,0|2,0,0]=4 11331 B12R1.267 CCCOCc1ccncc1C 34a_100000210258_100020672809 [0,2,0,0,0,0|2,0,0]=4 11332 B12R1.267 CCCOCc1ccncc1C 34a_100011997032_100000210303 [0,2,0,0,0,0|2,0,0]=4 11333 B12R1.267 CCCOCc1ccncc1F 34a_100012172863_100000210303 [0,2,0,0,0,0|2,0,0]=4 11334 B12R1.267 CCCOCc1cnccc1C 34a_100000210258_100000690890 [0,2,0,0,0,0|2,0,0]=4 11335 B12R1.267 CCCOCc1cnccc1C 34a_100011996381_100000210303 [0,2,0,0,0,0|2,0,0]=4 11336 B12R1.267 CCCOCc1cnccc1Cl 34a_100000117392_100000210303 [0,2,0,0,0,0|2,0,0]=4 11337 B12R1.267 CCCOCc1ncccc1Br 34a_100000210258_100025702911 [0,2,0,0,0,0|2,0,0]=4 11338 B12R1.267 CCCOCc1ncccc1Br 34a_100011996772_100000210303 [0,2,0,0,0,0|2,0,0]=4 11339 B12R1.267 CCCOCc1ncccc1C 34a_100000210258_100000696600 [0,2,0,0,0,0|2,0,0]=4 11340 B12R1.267 CCCOCc1ncccc1C 34a_100000698912_100000210303 [0,2,0,0,0,0|2,0,0]=4 11341 B12R1.267 CCCOCc1ncccc1Cl 34a_100012002383_100000210303 [0,2,0,0,0,0|2,0,0]=4 11342 B12R1.267 CCCOCc1ncccc1F 34a_100000210258_100000104219 [0,2,0,0,0,0|2,0,0]=4 11343 B12R1.267 CCCOCc1ncccc1F 34a_100011934865_100000210303 [0,2,0,0,0,0|2,0,0]=4 11344 B12R1.267 CCCOCc1ncccc1N 34a_114873767017_100000210303 [0,2,0,0,0,0|2,0,0]=4 11345 B12R1.267 CCCOCc1ncccc1O 34a_100000210258_200020655725 [0,2,0,0,0,0|2,0,0]=4 11346 B12R1.267 CCCSCc1ccccc1Br 62a_100000184730_100000210303 [0,2,0,0,0,0|1,1,0]=4 11347 B12R1.267 CCCSCc1ccccc1Br 62a_100000210303_100000184730 [0,2,0,0,0,0|1,1,0]=4 11348 B12R1.267 CCCSCc1ccccc1C 62a_100000210303_100000211839 [0,2,0,0,0,0|1,1,0]=4 11349 B12R1.267 CCCSCc1ccccc1C 62a_100000211839_100000210303 [0,2,0,0,0,0|1,1,0]=4 11350 B12R1.267 CCCSCc1ccccc1Cl 62a_100000187162_100000210303 [0,2,0,0,0,0|1,1,0]=4 11351 B12R1.267 CCCSCc1ccccc1Cl 62a_100000210303_100000187162 [0,2,0,0,0,0|1,1,0]=4 11352 B12R1.267 CCCSCc1ccccc1F 62a_100000210303_100000211605 [0,2,0,0,0,0|1,1,0]=4 11353 B12R1.267 CCCSCc1ccccc1F 62a_100000211605_100000210303 [0,2,0,0,0,0|1,1,0]=4 11354 B12R1.267 CCCSCc1ccccc1I 62a_100000210303_100011216222 [0,2,0,0,0,0|1,1,0]=4 11355 B12R1.267 CCCSCc1ccccc1I 62a_100011216222_100000210303 [0,2,0,0,0,0|1,1,0]=4 11356 B12R1.267 CCCSCc1ccccc1O 271570a_203496583355_200000173363 [0,2,0,0,0,0|1,1,0]=4 11357 B12R1.267 CCNCCc1ccccc1Br 2230a_100000747383_100000210202 [0,2,0,0,0,0|2,0,0]=4 11358 B12R1.267 CCNCCc1ccccc1Br 2230a_100015525214_100012161201 [0,2,0,0,0,0|2,0,0]=4 11359 B12R1.267 CCNCCc1ccccc1Br 34a_100000747383_100000210202 [0,2,0,0,0,0|2,0,0]=4 11360 B12R1.267 CCNCCc1ccccc1C 2230a_100000685071_100000210202 [0,2,0,0,0,0|2,0,0]=4 11361 B12R1.267 CCNCCc1ccccc1C 2230a_100015525214_100011713688 [0,2,0,0,0,0|2,0,0]=4 11362 B12R1.267 CCNCCc1ccccc1C 34a_100000685071_100000210202 [0,2,0,0,0,0|2,0,0]=4 11363 B12R1.267 CCNCCc1ccccc1Cl 2230a_100011207228_100000210202 [0,2,0,0,0,0|2,0,0]=4 11364 B12R1.267 CCNCCc1ccccc1Cl 2230a_100015525214_100011713703 [0,2,0,0,0,0|2,0,0]=4 11365 B12R1.267 CCNCCc1ccccc1Cl 270004a_100015525214_200011713468 [0,2,0,0,0,0|2,0,0]=4 11366 B12R1.267 CCNCCc1ccccc1Cl 34a_100011207228_100000210202 [0,2,0,0,0,0|2,0,0]=4 11367 B12R1.267 CCNCCc1ccccc1F 2230a_100000185272_100000210202 [0,2,0,0,0,0|2,0,0]=4 11368 B12R1.267 CCNCCc1ccccc1F 2230a_100015525214_100011713696 [0,2,0,0,0,0|2,0,0]=4 11369 B12R1.267 CCNCCc1ccccc1F 34a_100000185272_100000210202 [0,2,0,0,0,0|2,0,0]=4 11370 B12R1.267 CCNCCc1ccccc1O 34a_100011207237_100000210202 [0,2,0,0,0,0|2,0,0]=4 11371 B12R1.267 CCOCCc1ccccc1Br 34a_100000731337_100000210202 [0,2,0,0,0,0|2,0,0]=4 11372 B12R1.267 CCOCCc1ccccc1Br 34a_100121572206_100012161201 [0,2,0,0,0,0|2,0,0]=4 11373 B12R1.267 CCOCCc1ccccc1Br 7a_100000731337_100000210202 [0,2,0,0,0,0|2,0,0]=4 11374 B12R1.267 CCOCCc1ccccc1C 34a_100011220023_100000210202 [0,2,0,0,0,0|2,0,0]=4 11375 B12R1.267 CCOCCc1ccccc1C 34a_100121572206_100011713688 [0,2,0,0,0,0|2,0,0]=4 11376 B12R1.267 CCOCCc1ccccc1C 7a_100011220023_100000210202 [0,2,0,0,0,0|2,0,0]=4 11377 B12R1.267 CCOCCc1ccccc1Cl 34a_100011215284_100000210202 [0,2,0,0,0,0|2,0,0]=4 11378 B12R1.267 CCOCCc1ccccc1Cl 34a_100121572206_100011713703 [0,2,0,0,0,0|2,0,0]=4 11379 B12R1.267 CCOCCc1ccccc1Cl 7a_100011215284_100000210202 [0,2,0,0,0,0|2,0,0]=4 11380 B12R1.267 CCOCCc1ccccc1F 34a_100000753711_100000210202 [0,2,0,0,0,0|2,0,0]=4 11381 B12R1.267 CCOCCc1ccccc1F 34a_100121572206_100000720011 [0,2,0,0,0,0|2,0,0]=4 11382 B12R1.267 CCOCCc1ccccc1F 7a_100000753711_100000210202 [0,2,0,0,0,0|2,0,0]=4 11383 B12R1.267 CCOCCc1ccccc1I 34a_100010255290_100000210202 [0,2,0,0,0,0|2,0,0]=4 11384 B12R1.267 CCOCCc1ccccc1I 7a_100010255290_100000210202 [0,2,0,0,0,0|2,0,0]=4 11385 B12R1.267 CCOCCc1ccccc1N 34a_100011215289_100000210202 [0,2,0,0,0,0|2,0,0]=4 11386 B12R1.267 CCOCCc1ccccc1O 34a_100121572206_100000722297 [0,2,0,0,0,0|2,0,0]=4 11387 B12R1.267 CCOCSc1ccccc1Br 62a_100000695589_100000739092 [0,2,0,0,0,0|1,1,0]=4 11388 B12R1.267 CCOCSc1ccccc1Br 62a_100000739092_100000695589 [0,2,0,0,0,0|1,1,0]=4 11389 B12R1.267 CCOCSc1ccccc1C 62a_100000210755_100000739092 [0,2,0,0,0,0|1,1,0]=4 11390 B12R1.267 CCOCSc1ccccc1C 62a_100000739092_100000210755 [0,2,0,0,0,0|1,1,0]=4 11391 B12R1.267 CCOCSc1ccccc1Cl 62a_100000739092_100000764095 [0,2,0,0,0,0|1,1,0]=4 11392 B12R1.267 CCOCSc1ccccc1Cl 62a_100000764095_100000739092 [0,2,0,0,0,0|1,1,0]=4 11393 B12R1.267 CCOCSc1ccccc1F 62a_100000739092_100011215700 [0,2,0,0,0,0|1,1,0]=4 11394 B12R1.267 CCOCSc1ccccc1F 62a_100011215700_100000739092 [0,2,0,0,0,0|1,1,0]=4 11395 B12R1.267 CCOCSc1ccccc1N 62a_100000210017_100000739092 [0,2,0,0,0,0|1,1,0]=4 11396 B12R1.267 CCOCSc1ccccc1N 62a_100000739092_100000210017 [0,2,0,0,0,0|1,1,0]=4 11397 B12R1.267 CCOCSc1ccccc1O 62a_100000739092_100000739446 [0,2,0,0,0,0|1,1,0]=4 11398 B12R1.267 CCOCSc1ccccc1O 62a_100000739446_100000739092 [0,2,0,0,0,0|1,1,0]=4 11399 B12R1.267 CCSCCc1ccccc1Br 62a_100000210202_100012161201 [0,2,0,0,0,0|2,0,0]=4 11400 B12R1.267 CCSCCc1ccccc1Br 62a_100012161201_100000210202 [0,2,0,0,0,0|2,0,0]=4 11401 B12R1.267 CCSCCc1ccccc1C 62a_100000210202_100011713688 [0,2,0,0,0,0|2,0,0]=4 11402 B12R1.267 CCSCCc1ccccc1C 62a_100011713688_100000210202 [0,2,0,0,0,0|2,0,0]=4 11403 B12R1.267 CCSCCc1ccccc1Cl 62a_100000210202_100011713703 [0,2,0,0,0,0|2,0,0]=4 11404 B12R1.267 CCSCCc1ccccc1Cl 62a_100011713703_100000210202 [0,2,0,0,0,0|2,0,0]=4 11405 B12R1.267 CCSCCc1ccccc1F 62a_100000210202_100011713696 [0,2,0,0,0,0|2,0,0]=4 11406 B12R1.267 CCSCCc1ccccc1F 62a_100011713696_100000210202 [0,2,0,0,0,0|2,0,0]=4 11407 B12R1.267 CCSCCc1ccccc1O 62a_100000210202_100000722297 [0,2,0,0,0,0|2,0,0]=4 11408 B12R1.267 CCSCCc1ccccc1O 62a_100000722297_100000210202 [0,2,0,0,0,0|2,0,0]=4 11409 B12R1.267 CNCCCc1ccccc1Br 2230a_106832991635_200011713681 [0,2,0,0,0,0|2,0,0]=4 11410 B12R1.267 CNCCCc1ccccc1Br 34a_100102657272_200011713681 [0,2,0,0,0,0|2,0,0]=4 11411 B12R1.267 CNCCCc1ccccc1Br 7a_106832991635_200011713681 [0,2,0,0,0,0|2,0,0]=4 11412 B12R1.267 CNCCCc1ccccc1F 2230a_100000724733_200000210301 [0,2,0,0,0,0|2,0,0]=4 11413 B12R1.267 CNCCCc1ccccc1F 34a_100000724733_200000210301 [0,2,0,0,0,0|2,0,0]=4 11414 B12R1.267 CNCCOc1ccccc1Br 2230a_100000744007_200000210301 [0,2,0,0,0,0|1,0,0]=3 11415 B12R1.267 CNCCOc1ccccc1Br 2230a_106832991635_100000695877 [0,2,0,0,0,0|1,0,0]=3 11416 B12R1.267 CNCCOc1ccccc1Br 34a_100000744007_200000210301 [0,2,0,0,0,0|1,0,0]=3 11417 B12R1.267 CNCCOc1ccccc1Br 34a_100102657272_100000695877 [0,2,0,0,0,0|1,0,0]=3 11418 B12R1.267 CNCCOc1ccccc1Br 7a_106832991635_100000695877 [0,2,0,0,0,0|1,0,0]=3 11419 B12R1.267 CNCCOc1ccccc1C 2230a_100000743344_200000210301 [0,2,0,0,0,0|1,0,0]=3 11420 B12R1.267 CNCCOc1ccccc1C 2230a_106832991635_100000184434 [0,2,0,0,0,0|1,0,0]=3 11421 B12R1.267 CNCCOc1ccccc1C 34a_100000743344_200000210301 [0,2,0,0,0,0|1,0,0]=3 11422 B12R1.267 CNCCOc1ccccc1C 34a_100102657272_100000184434 [0,2,0,0,0,0|1,0,0]=3 11423 B12R1.267 CNCCOc1ccccc1C 7a_106832991635_100000184434 [0,2,0,0,0,0|1,0,0]=3 11424 B12R1.267 CNCCOc1ccccc1Cl 2230a_100000174932_200000210301 [0,2,0,0,0,0|1,0,0]=3 11425 B12R1.267 CNCCOc1ccccc1Cl 34a_100000174932_200000210301 [0,2,0,0,0,0|1,0,0]=3 11426 B12R1.267 CNCCOc1ccccc1F 2230a_100000683764_200000210301 [0,2,0,0,0,0|1,0,0]=3 11427 B12R1.267 CNCCOc1ccccc1F 2230a_106832991635_100000183290 [0,2,0,0,0,0|1,0,0]=3 11428 B12R1.267 CNCCOc1ccccc1F 34a_100000683764_200000210301 [0,2,0,0,0,0|1,0,0]=3 11429 B12R1.267 CNCCOc1ccccc1F 34a_100102657272_100000183290 [0,2,0,0,0,0|1,0,0]=3 11430 B12R1.267 CNCCOc1ccccc1F 7a_106832991635_100000183290 [0,2,0,0,0,0|1,0,0]=3 11431 B12R1.267 COCC#Cc1ccccc1Br 34a_100009814404_200000210301 [0,2,0,0,0,0|1,0,1]=4 11432 B12R1.267 COCC#Cc1ccccc1Br 34a_100138415774_100010706765 [0,2,0,0,0,0|1,0,1]=4 11433 B12R1.267 COCC#Cc1ccccc1Br 7a_100009814404_200000210301 [0,2,0,0,0,0|1,0,1]=4 11434 B12R1.267 COCC#Cc1ccccc1C 34a_200011352491_200000210301 [0,2,0,0,0,0|1,0,1]=4 11435 B12R1.267 COCC#Cc1ccccc1C 7a_200011352491_200000210301 [0,2,0,0,0,0|1,0,1]=4 11436 B12R1.267 COCC#Cc1ccccc1Cl 34a_100011219350_200000210301 [0,2,0,0,0,0|1,0,1]=4 11437 B12R1.267 COCC#Cc1ccccc1Cl 7a_100011219350_200000210301 [0,2,0,0,0,0|1,0,1]=4 11438 B12R1.267 COCC#Cc1ccccc1F 34a_100011219114_200000210301 [0,2,0,0,0,0|1,0,1]=4 11439 B12R1.267 COCC#Cc1ccccc1F 34a_100138415774_100010404167 [0,2,0,0,0,0|1,0,1]=4 11440 B12R1.267 COCC#Cc1ccccc1F 7a_100011219114_200000210301 [0,2,0,0,0,0|1,0,1]=4 11441 B12R1.267 COCC=Cc1ccccc1Br 271570a_100016286323_100000695589 [0,2,0,0,0,0|1,0,1]=4 11442 B12R1.267 COCC=Cc1ccccc1C 271570a_100016286323_100000210755 [0,2,0,0,0,0|1,0,1]=4 11443 B12R1.267 COCC=Cc1ccccc1Cl 271570a_100016286323_100000764095 [0,2,0,0,0,0|1,0,1]=4 11444 B12R1.267 COCC=Cc1ccccc1F 271570a_100016286323_100011215700 [0,2,0,0,0,0|1,0,1]=4 11445 B12R1.267 COCC=Cc1ccccc1N 271570a_100016286323_100000210017 [0,2,0,0,0,0|1,0,1]=4 11446 B12R1.267 COCC=Cc1ccccc1O 271570a_100016286323_100000739446 [0,2,0,0,0,0|1,0,1]=4 11447 B12R1.267 COCCCc1ccccc1Br 34a_100000699526_200000210301 [0,2,0,0,0,0|1,0,0]=3 11448 B12R1.267 COCCCc1ccccc1Br 34a_100138415774_200011713681 [0,2,0,0,0,0|1,0,0]=3 11449 B12R1.267 COCCCc1ccccc1Br 7a_100000699526_200000210301 [0,2,0,0,0,0|1,0,0]=3 11450 B12R1.267 COCCCc1ccccc1Cl 34a_100011709251_200000210301 [0,2,0,0,0,0|1,0,0]=3 11451 B12R1.267 COCCCc1ccccc1Cl 7a_100011709251_200000210301 [0,2,0,0,0,0|1,0,0]=3 11452 B12R1.267 COCCCc1ccccc1F 34a_100011709249_200000210301 [0,2,0,0,0,0|1,0,0]=3 11453 B12R1.267 COCCCc1ccccc1F 7a_100011709249_200000210301 [0,2,0,0,0,0|1,0,0]=3 11454 B12R1.267 COCCNc1ccccc1Br 34a_100000210017_100011201679 [0,2,0,0,0,0|1,0,0]=3 11455 B12R1.267 COCCNc1ccccc1C 34a_100011233185_200000210301 [0,2,0,0,0,0|1,0,0]=3 11456 B12R1.267 COCCNc1ccccc1C 34a_100015192222_100011201679 [0,2,0,0,0,0|1,0,0]=3 11457 B12R1.267 COCCNc1ccccc1Cl 34a_100000185783_100011201679 [0,2,0,0,0,0|1,0,0]=3 11458 B12R1.267 COCCNc1ccccc1F 34a_100000210422_100011201679 [0,2,0,0,0,0|1,0,0]=3 11459 B12R1.267 COCCNc1ccccc1I 34a_100000210053_100011201679 [0,2,0,0,0,0|1,0,0]=3 11460 B12R1.267 COCCNc1ccccc1N 34a_100000683943_200000210301 [0,2,0,0,0,0|1,0,0]=3 11461 B12R1.267 COCCNc1ccccc1O 34a_100000185747_100011201679 [0,2,0,0,0,0|1,0,0]=3 11462 B12R1.267 COCCNc1ccncc1Br 27a_100000209980_100000726257 [0,2,0,0,0,0|2,0,0]=4 11463 B12R1.267 COCCNc1ccncc1C 27a_100000209980_100000765111 [0,2,0,0,0,0|2,0,0]=4 11464 B12R1.267 COCCNc1ccncc1F 27a_100000209980_100000035921 [0,2,0,0,0,0|2,0,0]=4 11465 B12R1.267 COCCNc1ncccc1Br 27a_100000209980_100000696092 [0,2,0,0,0,0|2,0,0]=4 11466 B12R1.267 COCCOc1cccc[n+]1[O-] 7a_100000211761_100000233755 [0,2,0,0,0,0|1,0,0]=3 11467 B12R1.267 COCCOc1ccccc1Br 34a_100000181306_100011201679 [0,2,0,0,0,0|0,0,0]=2 11468 B12R1.267 COCCOc1ccccc1Br 34a_100000230753_200000210301 [0,2,0,0,0,0|0,0,0]=2 11469 B12R1.267 COCCOc1ccccc1Br 34a_100138415774_100000695877 [0,2,0,0,0,0|0,0,0]=2 11470 B12R1.267 COCCOc1ccccc1Br 7a_100000181306_100000233755 [0,2,0,0,0,0|0,0,0]=2 11471 B12R1.267 COCCOc1ccccc1Br 7a_100000230753_200000210301 [0,2,0,0,0,0|0,0,0]=2 11472 B12R1.267 COCCOc1ccccc1C 34a_100000210338_100011201679 [0,2,0,0,0,0|0,0,0]=2 11473 B12R1.267 COCCOc1ccccc1C 34a_100138415774_100000184434 [0,2,0,0,0,0|0,0,0]=2 11474 B12R1.267 COCCOc1ccccc1C 7a_100000210338_100000233755 [0,2,0,0,0,0|0,0,0]=2 11475 B12R1.267 COCCOc1ccccc1Cl 34a_100000210172_100011201679 [0,2,0,0,0,0|0,0,0]=2 11476 B12R1.267 COCCOc1ccccc1Cl 34a_200000230518_200000210301 [0,2,0,0,0,0|0,0,0]=2 11477 B12R1.267 COCCOc1ccccc1Cl 7a_100000210172_100000233755 [0,2,0,0,0,0|0,0,0]=2 11478 B12R1.267 COCCOc1ccccc1Cl 7a_200000230518_200000210301 [0,2,0,0,0,0|0,0,0]=2 11479 B12R1.267 COCCOc1ccccc1F 34a_100000210171_100011201679 [0,2,0,0,0,0|0,0,0]=2 11480 B12R1.267 COCCOc1ccccc1F 34a_100000756447_200000210301 [0,2,0,0,0,0|0,0,0]=2 11481 B12R1.267 COCCOc1ccccc1F 34a_100138415774_100000183290 [0,2,0,0,0,0|0,0,0]=2 11482 B12R1.267 COCCOc1ccccc1F 7a_100000210171_100000233755 [0,2,0,0,0,0|0,0,0]=2 11483 B12R1.267 COCCOc1ccccc1F 7a_100000756447_200000210301 [0,2,0,0,0,0|0,0,0]=2 11484 B12R1.267 COCCOc1ccccc1I 34a_100000739446_100011201679 [0,2,0,0,0,0|0,0,0]=2 11485 B12R1.267 COCCOc1ccccc1I 7a_100000739446_100000233755 [0,2,0,0,0,0|0,0,0]=2 11486 B12R1.267 COCCOc1ccccc1N 34a_100000185747_100011201679 [0,2,0,0,0,0|0,0,0]=2 11487 B12R1.267 COCCOc1ccccc1N 34a_100132302172_200000210301 [0,2,0,0,0,0|0,0,0]=2 11488 B12R1.267 COCCOc1ccccc1N 7a_100000185747_100000233755 [0,2,0,0,0,0|0,0,0]=2 11489 B12R1.267 COCCOc1ccccc1O 271570a_203496583355_100000234100 [0,2,0,0,0,0|0,0,0]=2 11490 B12R1.267 COCCOc1cccnc1Br 34a_100000744436_100011201679 [0,2,0,0,0,0|1,0,0]=3 11491 B12R1.267 COCCOc1cccnc1Br 7a_100000744436_100000233755 [0,2,0,0,0,0|1,0,0]=3 11492 B12R1.267 COCCOc1cccnc1C 34a_100000745507_100011201679 [0,2,0,0,0,0|1,0,0]=3 11493 B12R1.267 COCCOc1cccnc1C 7a_100000745507_100000233755 [0,2,0,0,0,0|1,0,0]=3 11494 B12R1.267 COCCOc1cccnc1Cl 34a_100000757616_100011201679 [0,2,0,0,0,0|1,0,0]=3 11495 B12R1.267 COCCOc1cccnc1Cl 7a_100000757616_100000233755 [0,2,0,0,0,0|1,0,0]=3 11496 B12R1.267 COCCOc1cccnc1F 34a_100000061740_100011201679 [0,2,0,0,0,0|1,0,0]=3 11497 B12R1.267 COCCOc1cccnc1F 7a_100000061740_100000233755 [0,2,0,0,0,0|1,0,0]=3 11498 B12R1.267 COCCOc1cccnc1I 34a_100000034122_100011201679 [0,2,0,0,0,0|1,0,0]=3 11499 B12R1.267 COCCOc1cccnc1I 7a_100000034122_100000233755 [0,2,0,0,0,0|1,0,0]=3 11500 B12R1.267 COCCOc1cccnc1N 34a_100000211975_100011201679 [0,2,0,0,0,0|1,0,0]=3 11501 B12R1.267 COCCOc1cccnc1N 7a_100000211975_100000233755 [0,2,0,0,0,0|1,0,0]=3 11502 B12R1.267 COCCOc1cccoc1=O 34a_100000077404_100011201679 [0,2,0,0,0,0|1,0,0]=3 11503 B12R1.267 COCCOc1cccoc1=O 7a_100000077404_100000233755 [0,2,0,0,0,0|1,0,0]=3 11504 B12R1.267 COCCOc1ccncc1Br 34a_100011996408_100011201679 [0,2,0,0,0,0|1,0,0]=3 11505 B12R1.267 COCCOc1ccncc1C 34a_100000694293_100011201679 [0,2,0,0,0,0|1,0,0]=3 11506 B12R1.267 COCCOc1ccncc1Cl 34a_100011997054_100011201679 [0,2,0,0,0,0|1,0,0]=3 11507 B12R1.267 COCCOc1ccncc1F 34a_200000081243_100011201679 [0,2,0,0,0,0|1,0,0]=3 11508 B12R1.267 COCCOc1cnccc1C 34a_100011997053_100011201679 [0,2,0,0,0,0|1,0,0]=3 11509 B12R1.267 COCCOc1cnccc1C 7a_100011997053_100000233755 [0,2,0,0,0,0|1,0,0]=3 11510 B12R1.267 COCCOc1cnccc1Cl 34a_100011996695_100011201679 [0,2,0,0,0,0|1,0,0]=3 11511 B12R1.267 COCCOc1cnccc1I 34a_100000050107_100011201679 [0,2,0,0,0,0|1,0,0]=3 11512 B12R1.267 COCCOc1cnccc1N 34a_100000753702_100011201679 [0,2,0,0,0,0|1,0,0]=3 11513 B12R1.267 COCCOc1cncnc1N 7a_100000112926_100000233755 [0,2,0,0,0,0|2,0,0]=4 11514 B12R1.267 COCCOc1coccc1=O 34a_100000060831_100011201679 [0,2,0,0,0,0|1,0,0]=3 11515 B12R1.267 COCCOc1ncccc1Cl 34a_100011290957_100011201679 [0,2,0,0,0,0|1,0,0]=3 11516 B12R1.267 COCCOc1ncccc1F 34a_100011219419_100011201679 [0,2,0,0,0,0|1,0,0]=3 11517 B12R1.267 COCCOc1ncccc1N 34a_100000746358_100011201679 [0,2,0,0,0,0|1,0,0]=3 11518 B12R1.267 COCCOc1ncccc1O 271570a_203496583355_100000754258 [0,2,0,0,0,0|1,0,0]=3 11519 B12R1.267 COCCOc1nccnc1C 34a_100000766352_100011201679 [0,2,0,0,0,0|2,0,0]=4 11520 B12R1.267 COCCSc1c[nH]ccc1=O 62a_100000233755_100009998708 [0,2,0,0,0,0|1,1,0]=4 11521 B12R1.267 COCCSc1c[nH]ccc1=O 62a_100009998708_100000233755 [0,2,0,0,0,0|1,1,0]=4 11522 B12R1.267 COCCSc1c[nH]ccc1=S 62a_100000233755_200012280681 [0,2,0,0,0,0|1,1,0]=4 11523 B12R1.267 COCCSc1c[nH]ccc1=S 62a_200012280681_100000233755 [0,2,0,0,0,0|1,1,0]=4 11524 B12R1.267 COCCSc1cccc[n+]1C 62a_100000233755_100000212160 [0,2,0,0,0,0|1,1,0]=4 11525 B12R1.267 COCCSc1cccc[n+]1[O-] 62a_100000233755_200000042595 [0,2,0,0,0,0|1,1,0]=4 11526 B12R1.267 COCCSc1ccccc1Br 34a_200000230852_200000210301 [0,2,0,0,0,0|0,1,0]=3 11527 B12R1.267 COCCSc1ccccc1Br 62a_100000233755_100000695589 [0,2,0,0,0,0|0,1,0]=3 11528 B12R1.267 COCCSc1ccccc1Br 62a_100000695589_100000233755 [0,2,0,0,0,0|0,1,0]=3 11529 B12R1.267 COCCSc1ccccc1Br 7a_200000230852_200000210301 [0,2,0,0,0,0|0,1,0]=3 11530 B12R1.267 COCCSc1ccccc1C 62a_100000210755_100000233755 [0,2,0,0,0,0|0,1,0]=3 11531 B12R1.267 COCCSc1ccccc1C 62a_100000233755_100000210755 [0,2,0,0,0,0|0,1,0]=3 11532 B12R1.267 COCCSc1ccccc1Cl 34a_200000230572_200000210301 [0,2,0,0,0,0|0,1,0]=3 11533 B12R1.267 COCCSc1ccccc1Cl 62a_100000233755_100000764095 [0,2,0,0,0,0|0,1,0]=3 11534 B12R1.267 COCCSc1ccccc1Cl 62a_100000764095_100000233755 [0,2,0,0,0,0|0,1,0]=3 11535 B12R1.267 COCCSc1ccccc1Cl 7a_200000230572_200000210301 [0,2,0,0,0,0|0,1,0]=3 11536 B12R1.267 COCCSc1ccccc1F 34a_200000230732_200000210301 [0,2,0,0,0,0|0,1,0]=3 11537 B12R1.267 COCCSc1ccccc1F 62a_100000233755_100011215700 [0,2,0,0,0,0|0,1,0]=3 11538 B12R1.267 COCCSc1ccccc1F 62a_100011215700_100000233755 [0,2,0,0,0,0|0,1,0]=3 11539 B12R1.267 COCCSc1ccccc1F 7a_200000230732_200000210301 [0,2,0,0,0,0|0,1,0]=3 11540 B12R1.267 COCCSc1ccccc1N 62a_100000210017_100000233755 [0,2,0,0,0,0|0,1,0]=3 11541 B12R1.267 COCCSc1ccccc1N 62a_100000233755_100000210017 [0,2,0,0,0,0|0,1,0]=3 11542 B12R1.267 COCCSc1ccccc1O 271570a_203496583355_200016336083 [0,2,0,0,0,0|0,1,0]=3 11543 B12R1.267 COCCSc1ccccc1O 62a_100000233755_100000739446 [0,2,0,0,0,0|0,1,0]=3 11544 B12R1.267 COCCSc1ccccc1O 62a_100000739446_100000233755 [0,2,0,0,0,0|0,1,0]=3 11545 B12R1.267 COCCSc1cccnc1Br 62a_100000233755_100010202626 [0,2,0,0,0,0|1,1,0]=4 11546 B12R1.267 COCCSc1cccnc1Br 62a_100010202626_100000233755 [0,2,0,0,0,0|1,1,0]=4 11547 B12R1.267 COCCSc1cccnc1C 62a_100000233755_100000751574 [0,2,0,0,0,0|1,1,0]=4 11548 B12R1.267 COCCSc1cccnc1C 62a_100000751574_100000233755 [0,2,0,0,0,0|1,1,0]=4 11549 B12R1.267 COCCSc1cccnc1Cl 62a_100000036424_100000233755 [0,2,0,0,0,0|1,1,0]=4 11550 B12R1.267 COCCSc1cccnc1Cl 62a_100000233755_100000036424 [0,2,0,0,0,0|1,1,0]=4 11551 B12R1.267 COCCSc1cccnc1F 62a_100000233755_100009816115 [0,2,0,0,0,0|1,1,0]=4 11552 B12R1.267 COCCSc1cccnc1F 62a_100009816115_100000233755 [0,2,0,0,0,0|1,1,0]=4 11553 B12R1.267 COCCSc1cccnc1N 62a_100000045569_100000233755 [0,2,0,0,0,0|1,1,0]=4 11554 B12R1.267 COCCSc1cccnc1N 62a_100000233755_100000045569 [0,2,0,0,0,0|1,1,0]=4 11555 B12R1.267 COCCSc1cccnc1O 62a_100000233755_100000760158 [0,2,0,0,0,0|1,1,0]=4 11556 B12R1.267 COCCSc1cccnc1O 62a_100000760158_100000233755 [0,2,0,0,0,0|1,1,0]=4 11557 B12R1.267 COCCSc1ccncc1Br 62a_100000233755_100000726257 [0,2,0,0,0,0|1,1,0]=4 11558 B12R1.267 COCCSc1ccncc1Br 62a_100000726257_100000233755 [0,2,0,0,0,0|1,1,0]=4 11559 B12R1.267 COCCSc1ccncc1C 62a_100000233755_100000765111 [0,2,0,0,0,0|1,1,0]=4 11560 B12R1.267 COCCSc1ccncc1C 62a_100000765111_100000233755 [0,2,0,0,0,0|1,1,0]=4 11561 B12R1.267 COCCSc1ccncc1Cl 62a_100000233755_100000708259 [0,2,0,0,0,0|1,1,0]=4 11562 B12R1.267 COCCSc1ccncc1Cl 62a_100000708259_100000233755 [0,2,0,0,0,0|1,1,0]=4 11563 B12R1.267 COCCSc1ccncc1F 62a_100000047030_100000233755 [0,2,0,0,0,0|1,1,0]=4 11564 B12R1.267 COCCSc1ccncc1F 62a_100000233755_100000047030 [0,2,0,0,0,0|1,1,0]=4 11565 B12R1.267 COCCSc1ccncc1N 62a_100000233755_100000756074 [0,2,0,0,0,0|1,1,0]=4 11566 B12R1.267 COCCSc1ccncc1N 62a_100000756074_100000233755 [0,2,0,0,0,0|1,1,0]=4 11567 B12R1.267 COCCSc1ccncc1O 62a_100000233755_100009817591 [0,2,0,0,0,0|1,1,0]=4 11568 B12R1.267 COCCSc1ccncc1O 62a_100009817591_100000233755 [0,2,0,0,0,0|1,1,0]=4 11569 B12R1.267 COCCSc1cnccc1Br 62a_100000233755_100010138639 [0,2,0,0,0,0|1,1,0]=4 11570 B12R1.267 COCCSc1cnccc1Br 62a_100010138639_100000233755 [0,2,0,0,0,0|1,1,0]=4 11571 B12R1.267 COCCSc1cnccc1C 62a_100000233755_100000761580 [0,2,0,0,0,0|1,1,0]=4 11572 B12R1.267 COCCSc1cnccc1C 62a_100000761580_100000233755 [0,2,0,0,0,0|1,1,0]=4 11573 B12R1.267 COCCSc1cnccc1Cl 62a_100000233755_100009995489 [0,2,0,0,0,0|1,1,0]=4 11574 B12R1.267 COCCSc1cnccc1Cl 62a_100009995489_100000233755 [0,2,0,0,0,0|1,1,0]=4 11575 B12R1.267 COCCSc1cnccc1F 62a_100000233755_100009820683 [0,2,0,0,0,0|1,1,0]=4 11576 B12R1.267 COCCSc1cnccc1F 62a_100009820683_100000233755 [0,2,0,0,0,0|1,1,0]=4 11577 B12R1.267 COCCSc1cnccc1N 62a_100000047001_100000233755 [0,2,0,0,0,0|1,1,0]=4 11578 B12R1.267 COCCSc1cnccc1N 62a_100000233755_100000047001 [0,2,0,0,0,0|1,1,0]=4 11579 B12R1.267 COCCSc1ncccc1Br 62a_100000233755_100000696092 [0,2,0,0,0,0|1,1,0]=4 11580 B12R1.267 COCCSc1ncccc1Br 62a_100000696092_100000233755 [0,2,0,0,0,0|1,1,0]=4 11581 B12R1.267 COCCSc1ncccc1C 62a_100000233755_100000751373 [0,2,0,0,0,0|1,1,0]=4 11582 B12R1.267 COCCSc1ncccc1C 62a_100000751373_100000233755 [0,2,0,0,0,0|1,1,0]=4 11583 B12R1.267 COCCSc1ncccc1Cl 62a_100000233755_100011356963 [0,2,0,0,0,0|1,1,0]=4 11584 B12R1.267 COCCSc1ncccc1Cl 62a_100011356963_100000233755 [0,2,0,0,0,0|1,1,0]=4 11585 B12R1.267 COCCSc1ncccc1F 62a_100000233755_100000685392 [0,2,0,0,0,0|1,1,0]=4 11586 B12R1.267 COCCSc1ncccc1F 62a_100000685392_100000233755 [0,2,0,0,0,0|1,1,0]=4 11587 B12R1.267 COCCSc1ncccc1N 62a_100000233755_100000688686 [0,2,0,0,0,0|1,1,0]=4 11588 B12R1.267 COCCSc1ncccc1N 62a_100000688686_100000233755 [0,2,0,0,0,0|1,1,0]=4 11589 B12R1.267 COCCSc1ncccc1O 62a_100000034122_100000233755 [0,2,0,0,0,0|1,1,0]=4 11590 B12R1.267 COCCSc1ncccc1O 62a_100000233755_100000034122 [0,2,0,0,0,0|1,1,0]=4 11591 B12R1.267 COCNCc1ccccc1Br 2230a_100000689332_100000766300 [0,2,0,0,0,0|2,0,0]=4 11592 B12R1.267 COCNCc1ccccc1Cl 2230a_100000174879_100000766300 [0,2,0,0,0,0|2,0,0]=4 11593 B12R1.267 COCSCc1ccccc1Br 62a_100000184730_100000766300 [0,2,0,0,0,0|2,0,0]=4 11594 B12R1.267 COCSCc1ccccc1Br 62a_100000766300_100000184730 [0,2,0,0,0,0|2,0,0]=4 11595 B12R1.267 COCSCc1ccccc1C 62a_100000211839_100000766300 [0,2,0,0,0,0|2,0,0]=4 11596 B12R1.267 COCSCc1ccccc1C 62a_100000766300_100000211839 [0,2,0,0,0,0|2,0,0]=4 11597 B12R1.267 COCSCc1ccccc1Cl 62a_100000187162_100000766300 [0,2,0,0,0,0|2,0,0]=4 11598 B12R1.267 COCSCc1ccccc1Cl 62a_100000766300_100000187162 [0,2,0,0,0,0|2,0,0]=4 11599 B12R1.267 COCSCc1ccccc1F 62a_100000211605_100000766300 [0,2,0,0,0,0|2,0,0]=4 11600 B12R1.267 COCSCc1ccccc1F 62a_100000766300_100000211605 [0,2,0,0,0,0|2,0,0]=4 11601 B12R1.267 COCSCc1ccccc1I 62a_100000766300_100011216222 [0,2,0,0,0,0|2,0,0]=4 11602 B12R1.267 COCSCc1ccccc1I 62a_100011216222_100000766300 [0,2,0,0,0,0|2,0,0]=4 11603 B12R1.267 CSCCCc1ccccc1Br 62a_200000210301_200011713681 [0,2,0,0,0,0|1,1,0]=4 11604 B12R1.267 CSCCCc1ccccc1Br 62a_200011713681_200000210301 [0,2,0,0,0,0|1,1,0]=4 11605 B12R1.267 CSCCNc1ccccc1Br 34a_100000210017_100000212216 [0,2,0,0,0,0|1,1,0]=4 11606 B12R1.267 CSCCNc1ccccc1C 34a_100015192222_100000212216 [0,2,0,0,0,0|1,1,0]=4 11607 B12R1.267 CSCCNc1ccccc1Cl 34a_100000185783_100000212216 [0,2,0,0,0,0|1,1,0]=4 11608 B12R1.267 CSCCNc1ccccc1F 34a_100000210422_100000212216 [0,2,0,0,0,0|1,1,0]=4 11609 B12R1.267 CSCCNc1ccccc1I 34a_100000210053_100000212216 [0,2,0,0,0,0|1,1,0]=4 11610 B12R1.267 CSCCNc1ccccc1O 34a_100000185747_100000212216 [0,2,0,0,0,0|1,1,0]=4 11611 B12R1.267 CSCCOc1cccc[n+]1[O-] 7a_100000211761_100000212216 [0,2,0,0,0,0|1,1,0]=4 11612 B12R1.267 CSCCOc1ccccc1Br 34a_100000181306_100000212216 [0,2,0,0,0,0|0,1,0]=3 11613 B12R1.267 CSCCOc1ccccc1Br 62a_100000695877_200000210301 [0,2,0,0,0,0|0,1,0]=3 11614 B12R1.267 CSCCOc1ccccc1Br 62a_200000210301_100000695877 [0,2,0,0,0,0|0,1,0]=3 11615 B12R1.267 CSCCOc1ccccc1Br 7a_100000181306_100000212216 [0,2,0,0,0,0|0,1,0]=3 11616 B12R1.267 CSCCOc1ccccc1C 34a_100000210338_100000212216 [0,2,0,0,0,0|0,1,0]=3 11617 B12R1.267 CSCCOc1ccccc1C 62a_100000184434_200000210301 [0,2,0,0,0,0|0,1,0]=3 11618 B12R1.267 CSCCOc1ccccc1C 62a_200000210301_100000184434 [0,2,0,0,0,0|0,1,0]=3 11619 B12R1.267 CSCCOc1ccccc1C 7a_100000210338_100000212216 [0,2,0,0,0,0|0,1,0]=3 11620 B12R1.267 CSCCOc1ccccc1Cl 34a_100000210172_100000212216 [0,2,0,0,0,0|0,1,0]=3 11621 B12R1.267 CSCCOc1ccccc1Cl 7a_100000210172_100000212216 [0,2,0,0,0,0|0,1,0]=3 11622 B12R1.267 CSCCOc1ccccc1F 34a_100000210171_100000212216 [0,2,0,0,0,0|0,1,0]=3 11623 B12R1.267 CSCCOc1ccccc1F 62a_100000183290_200000210301 [0,2,0,0,0,0|0,1,0]=3 11624 B12R1.267 CSCCOc1ccccc1F 62a_200000210301_100000183290 [0,2,0,0,0,0|0,1,0]=3 11625 B12R1.267 CSCCOc1ccccc1F 7a_100000210171_100000212216 [0,2,0,0,0,0|0,1,0]=3 11626 B12R1.267 CSCCOc1ccccc1I 34a_100000739446_100000212216 [0,2,0,0,0,0|0,1,0]=3 11627 B12R1.267 CSCCOc1ccccc1I 7a_100000739446_100000212216 [0,2,0,0,0,0|0,1,0]=3 11628 B12R1.267 CSCCOc1ccccc1N 34a_100000185747_100000212216 [0,2,0,0,0,0|0,1,0]=3 11629 B12R1.267 CSCCOc1ccccc1N 7a_100000185747_100000212216 [0,2,0,0,0,0|0,1,0]=3 11630 B12R1.267 CSCCOc1cccnc1Br 34a_100000744436_100000212216 [0,2,0,0,0,0|1,1,0]=4 11631 B12R1.267 CSCCOc1cccnc1Br 7a_100000744436_100000212216 [0,2,0,0,0,0|1,1,0]=4 11632 B12R1.267 CSCCOc1cccnc1C 34a_100000745507_100000212216 [0,2,0,0,0,0|1,1,0]=4 11633 B12R1.267 CSCCOc1cccnc1C 7a_100000745507_100000212216 [0,2,0,0,0,0|1,1,0]=4 11634 B12R1.267 CSCCOc1cccnc1Cl 34a_100000757616_100000212216 [0,2,0,0,0,0|1,1,0]=4 11635 B12R1.267 CSCCOc1cccnc1Cl 7a_100000757616_100000212216 [0,2,0,0,0,0|1,1,0]=4 11636 B12R1.267 CSCCOc1cccnc1F 34a_100000061740_100000212216 [0,2,0,0,0,0|1,1,0]=4 11637 B12R1.267 CSCCOc1cccnc1F 7a_100000061740_100000212216 [0,2,0,0,0,0|1,1,0]=4 11638 B12R1.267 CSCCOc1cccnc1I 34a_100000034122_100000212216 [0,2,0,0,0,0|1,1,0]=4 11639 B12R1.267 CSCCOc1cccnc1I 7a_100000034122_100000212216 [0,2,0,0,0,0|1,1,0]=4 11640 B12R1.267 CSCCOc1cccnc1N 34a_100000211975_100000212216 [0,2,0,0,0,0|1,1,0]=4 11641 B12R1.267 CSCCOc1cccnc1N 7a_100000211975_100000212216 [0,2,0,0,0,0|1,1,0]=4 11642 B12R1.267 CSCCOc1cccoc1=O 34a_100000077404_100000212216 [0,2,0,0,0,0|1,1,0]=4 11643 B12R1.267 CSCCOc1cccoc1=O 7a_100000077404_100000212216 [0,2,0,0,0,0|1,1,0]=4 11644 B12R1.267 CSCCOc1ccncc1Br 34a_100011996408_100000212216 [0,2,0,0,0,0|1,1,0]=4 11645 B12R1.267 CSCCOc1ccncc1C 34a_100000694293_100000212216 [0,2,0,0,0,0|1,1,0]=4 11646 B12R1.267 CSCCOc1ccncc1Cl 34a_100011997054_100000212216 [0,2,0,0,0,0|1,1,0]=4 11647 B12R1.267 CSCCOc1ccncc1F 34a_200000081243_100000212216 [0,2,0,0,0,0|1,1,0]=4 11648 B12R1.267 CSCCOc1cnccc1C 34a_100011997053_100000212216 [0,2,0,0,0,0|1,1,0]=4 11649 B12R1.267 CSCCOc1cnccc1C 7a_100011997053_100000212216 [0,2,0,0,0,0|1,1,0]=4 11650 B12R1.267 CSCCOc1cnccc1Cl 34a_100011996695_100000212216 [0,2,0,0,0,0|1,1,0]=4 11651 B12R1.267 CSCCOc1cnccc1I 34a_100000050107_100000212216 [0,2,0,0,0,0|1,1,0]=4 11652 B12R1.267 CSCCOc1cnccc1N 34a_100000753702_100000212216 [0,2,0,0,0,0|1,1,0]=4 11653 B12R1.267 CSCCOc1coccc1=O 34a_100000060831_100000212216 [0,2,0,0,0,0|1,1,0]=4 11654 B12R1.267 CSCCOc1ncccc1Cl 34a_100011290957_100000212216 [0,2,0,0,0,0|1,1,0]=4 11655 B12R1.267 CSCCOc1ncccc1F 34a_100011219419_100000212216 [0,2,0,0,0,0|1,1,0]=4 11656 B12R1.267 CSCCOc1ncccc1N 34a_100000746358_100000212216 [0,2,0,0,0,0|1,1,0]=4 11657 B12R1.267 CSCCSc1ccccc1Br 62a_100000212216_100000695589 [0,2,0,0,0,0|0,2,0]=4 11658 B12R1.267 CSCCSc1ccccc1Br 62a_100000695589_100000751147 [0,2,0,0,0,0|0,2,0]=4 11659 B12R1.267 CSCCSc1ccccc1C 62a_100000210755_100000751147 [0,2,0,0,0,0|0,2,0]=4 11660 B12R1.267 CSCCSc1ccccc1C 62a_100000212216_100000210755 [0,2,0,0,0,0|0,2,0]=4 11661 B12R1.267 CSCCSc1ccccc1Cl 62a_100000212216_100000764095 [0,2,0,0,0,0|0,2,0]=4 11662 B12R1.267 CSCCSc1ccccc1Cl 62a_100000764095_100000751147 [0,2,0,0,0,0|0,2,0]=4 11663 B12R1.267 CSCCSc1ccccc1F 62a_100000212216_100011215700 [0,2,0,0,0,0|0,2,0]=4 11664 B12R1.267 CSCCSc1ccccc1F 62a_100011215700_100000751147 [0,2,0,0,0,0|0,2,0]=4 11665 B12R1.267 CSCCSc1ccccc1N 62a_100000210017_100000751147 [0,2,0,0,0,0|0,2,0]=4 11666 B12R1.267 CSCCSc1ccccc1N 62a_100000212216_100000210017 [0,2,0,0,0,0|0,2,0]=4 11667 B12R1.267 CSCCSc1ccccc1O 62a_100000212216_100000739446 [0,2,0,0,0,0|0,2,0]=4 11668 B12R1.267 CSCCSc1ccccc1O 62a_100000739446_100000751147 [0,2,0,0,0,0|0,2,0]=4 11669 B12R1.267 CSCOCc1ccccc1Br 34a_100000756307_100011218213 [0,2,0,0,0,0|2,0,0]=4 11670 B12R1.267 CSCOCc1ccccc1C 34a_100000698903_100011218213 [0,2,0,0,0,0|2,0,0]=4 11671 B12R1.267 CSCOCc1ccccc1Cl 34a_100000210847_100011218213 [0,2,0,0,0,0|2,0,0]=4 11672 B12R1.267 CSCOCc1ccccc1F 34a_100000211962_100011218213 [0,2,0,0,0,0|2,0,0]=4 11673 B12R1.267 CSCOCc1ccccc1I 34a_100000187465_100011218213 [0,2,0,0,0,0|2,0,0]=4 11674 B12R1.267 CSCOCc1ccccc1N 34a_100000212039_100011218213 [0,2,0,0,0,0|2,0,0]=4 11675 B12R1.267 C[n+]1ccccc1SCCCO 62a_100011215043_100000212160 [0,2,0,0,0,0|1,1,0]=4 11676 B12R1.267 Cc1ccccc1C#CCO[13CH3] 34a_200011352491_200025704644 [0,2,0,0,0,0|1,0,1]=4 11677 B12R1.267 Cc1ccccc1C#CCO[13CH3] 7a_200011352491_200025704644 [0,2,0,0,0,0|1,0,1]=4 11678 B12R1.267 Cc1ccccc1CCNCF 34a_100000685071_100015361967 [0,2,0,0,0,0|2,0,0]=4 11679 B12R1.267 Cc1ccccc1CCOCF 34a_100011220023_100015361967 [0,2,0,0,0,0|2,0,0]=4 11680 B12R1.267 Cc1ccccc1CCOCF 7a_100011220023_100015361967 [0,2,0,0,0,0|2,0,0]=4 11681 B12R1.267 Cc1ccccc1CCSCF 62a_100011713688_100015361967 [0,2,0,0,0,0|2,0,0]=4 11682 B12R1.267 Cc1ccccc1CCSCF 62a_100015361967_100011713688 [0,2,0,0,0,0|2,0,0]=4 11683 B12R1.267 Cc1ccccc1CNCCF 34a_100000174972_100011217306 [0,2,0,0,0,0|2,0,0]=4 11684 B12R1.267 Cc1ccccc1CNCCF 34a_100000724931_100000211839 [0,2,0,0,0,0|2,0,0]=4 11685 B12R1.267 Cc1ccccc1CNCCO 207a_100000210304_100000211143 [0,2,0,0,0,0|1,0,0]=3 11686 B12R1.267 Cc1ccccc1CNCCO 2230a_100016997473_100000211839 [0,2,0,0,0,0|1,0,0]=3 11687 B12R1.267 Cc1ccccc1CNCCO 270004a_100000210304_100000211143 [0,2,0,0,0,0|1,0,0]=3 11688 B12R1.267 Cc1ccccc1CNCCO 34a_100000174972_100000211926 [0,2,0,0,0,0|1,0,0]=3 11689 B12R1.267 Cc1ccccc1CNCCO 34a_100016990907_100000211839 [0,2,0,0,0,0|1,0,0]=3 11690 B12R1.267 Cc1ccccc1COCC#N 7a_100000698903_100011215382 [0,2,0,0,0,0|1,0,1]=4 11691 B12R1.267 Cc1ccccc1COCC=O 34a_100000698903_200009817547 [0,2,0,0,0,0|0,0,2]=4 11692 B12R1.267 Cc1ccccc1COCC=O 7a_100000698903_200015260668 [0,2,0,0,0,0|0,0,2]=4 11693 B12R1.267 Cc1ccccc1COCCBr 34a_100000211926_100000211839 [0,2,0,0,0,0|1,0,0]=3 11694 B12R1.267 Cc1ccccc1COCCF 34a_100000698903_100011217306 [0,2,0,0,0,0|1,0,0]=3 11695 B12R1.267 Cc1ccccc1COCCF 7a_100000698903_100011217306 [0,2,0,0,0,0|1,0,0]=3 11696 B12R1.267 Cc1ccccc1COCCN 34a_100000210304_100000211839 [0,2,0,0,0,0|1,0,0]=3 11697 B12R1.267 Cc1ccccc1COCCO 34a_100000698903_100000211926 [0,2,0,0,0,0|0,0,0]=2 11698 B12R1.267 Cc1ccccc1COCCO 7a_100000698903_100000211926 [0,2,0,0,0,0|0,0,0]=2 11699 B12R1.267 Cc1ccccc1CSCCF 62a_100000211839_100011217306 [0,2,0,0,0,0|1,1,0]=4 11700 B12R1.267 Cc1ccccc1CSCCF 62a_100011217306_100000211839 [0,2,0,0,0,0|1,1,0]=4 11701 B12R1.267 Cc1ccccc1CSCCO 62a_100000211839_100000211926 [0,2,0,0,0,0|0,1,0]=3 11702 B12R1.267 Cc1ccccc1CSCCO 62a_100000211926_100000211839 [0,2,0,0,0,0|0,1,0]=3 11703 B12R1.267 Cc1ccccc1NCCCF 34a_100015192222_100011934791 [0,2,0,0,0,0|2,0,0]=4 11704 B12R1.267 Cc1ccccc1NCCCO 34a_100015192222_100000230001 [0,2,0,0,0,0|1,0,0]=3 11705 B12R1.267 Cc1ccccc1NCCO[13CH3] 34a_100011233185_200025704644 [0,2,0,0,0,0|1,0,0]=3 11706 B12R1.267 Cc1ccccc1OCCC#N 7a_100000210338_100000184422 [0,2,0,0,0,0|1,0,0]=3 11707 B12R1.267 Cc1ccccc1OCCCF 34a_100000210338_100011934791 [0,2,0,0,0,0|1,0,0]=3 11708 B12R1.267 Cc1ccccc1OCCCF 7a_100000210338_100011934791 [0,2,0,0,0,0|1,0,0]=3 11709 B12R1.267 Cc1ccccc1OCCCO 34a_100000210338_100000230001 [0,2,0,0,0,0|0,0,0]=2 11710 B12R1.267 Cc1ccccc1OCCCO 7a_100000210338_100011215043 [0,2,0,0,0,0|0,0,0]=2 11711 B12R1.267 Cc1ccccc1OCCN[13CH3] 2230a_100000743344_200025704644 [0,2,0,0,0,0|1,0,0]=3 11712 B12R1.267 Cc1ccccc1OCCN[13CH3] 34a_100000743344_200025704644 [0,2,0,0,0,0|1,0,0]=3 11713 B12R1.267 Cc1ccccc1OCCS[13CH3] 62a_100000184434_200025704644 [0,2,0,0,0,0|0,1,0]=3 11714 B12R1.267 Cc1ccccc1OCCS[13CH3] 62a_200025704644_100000184434 [0,2,0,0,0,0|0,1,0]=3 11715 B12R1.267 Cc1ccccc1SCCC#N 62a_100000210755_100011215226 [0,2,0,0,0,0|1,1,0]=4 11716 B12R1.267 Cc1ccccc1SCCC#N 62a_100011215226_100000210755 [0,2,0,0,0,0|1,1,0]=4 11717 B12R1.267 Cc1ccccc1SCCCF 62a_100000210755_100011934791 [0,2,0,0,0,0|1,1,0]=4 11718 B12R1.267 Cc1ccccc1SCCCF 62a_100011934791_100000210755 [0,2,0,0,0,0|1,1,0]=4 11719 B12R1.267 Cc1ccccc1SCCCO 62a_100000210755_100011215043 [0,2,0,0,0,0|0,1,0]=3 11720 B12R1.267 Cc1ccccc1SCCCO 62a_100011215043_100000210755 [0,2,0,0,0,0|0,1,0]=3 11721 B12R1.267 Cc1cccnc1CNCCO 207a_100000210304_100000698913 [0,2,0,0,0,0|2,0,0]=4 11722 B12R1.267 Cc1cccnc1CNCCO 2230a_100016997473_100000696600 [0,2,0,0,0,0|2,0,0]=4 11723 B12R1.267 Cc1cccnc1CNCCO 270004a_100000210304_100000698913 [0,2,0,0,0,0|2,0,0]=4 11724 B12R1.267 Cc1cccnc1CNCCO 34a_100011223789_100000211926 [0,2,0,0,0,0|2,0,0]=4 11725 B12R1.267 Cc1cccnc1CNCCO 34a_100016990907_100000696600 [0,2,0,0,0,0|2,0,0]=4 11726 B12R1.267 Cc1cccnc1COCCBr 34a_100000211926_100000696600 [0,2,0,0,0,0|2,0,0]=4 11727 B12R1.267 Cc1cccnc1COCCF 34a_100000698912_100011217306 [0,2,0,0,0,0|2,0,0]=4 11728 B12R1.267 Cc1cccnc1COCCN 34a_100000210304_100000696600 [0,2,0,0,0,0|2,0,0]=4 11729 B12R1.267 Cc1cccnc1COCCO 34a_100000698912_100000211926 [0,2,0,0,0,0|1,0,0]=3 11730 B12R1.267 Cc1cccnc1CSCCO 62a_100000211926_100000696600 [0,2,0,0,0,0|1,1,0]=4 11731 B12R1.267 Cc1cccnc1CSCCO 62a_100000696600_100000211926 [0,2,0,0,0,0|1,1,0]=4 11732 B12R1.267 Cc1cccnc1SCCCO 62a_100000751373_100011215043 [0,2,0,0,0,0|1,1,0]=4 11733 B12R1.267 Cc1cccnc1SCCCO 62a_100011215043_100000751373 [0,2,0,0,0,0|1,1,0]=4 11734 B12R1.267 Cc1ccncc1CNCCO 207a_100000210304_100000685662 [0,2,0,0,0,0|2,0,0]=4 11735 B12R1.267 Cc1ccncc1CNCCO 2230a_100016997473_100000690890 [0,2,0,0,0,0|2,0,0]=4 11736 B12R1.267 Cc1ccncc1CNCCO 270004a_100000210304_100000685662 [0,2,0,0,0,0|2,0,0]=4 11737 B12R1.267 Cc1ccncc1CNCCO 34a_100016990907_100000690890 [0,2,0,0,0,0|2,0,0]=4 11738 B12R1.267 Cc1ccncc1COCCBr 34a_100000211926_100000690890 [0,2,0,0,0,0|2,0,0]=4 11739 B12R1.267 Cc1ccncc1COCCF 34a_100011996381_100011217306 [0,2,0,0,0,0|2,0,0]=4 11740 B12R1.267 Cc1ccncc1COCCN 34a_100000210304_100000690890 [0,2,0,0,0,0|2,0,0]=4 11741 B12R1.267 Cc1ccncc1COCCO 34a_100011996381_100000211926 [0,2,0,0,0,0|1,0,0]=3 11742 B12R1.267 Cc1ccncc1CSCCO 62a_100000211926_100000690890 [0,2,0,0,0,0|1,1,0]=4 11743 B12R1.267 Cc1ccncc1CSCCO 62a_100000690890_100000211926 [0,2,0,0,0,0|1,1,0]=4 11744 B12R1.267 Cc1ccncc1OCCC#N 7a_100011997053_100000184422 [0,2,0,0,0,0|2,0,0]=4 11745 B12R1.267 Cc1ccncc1OCCCF 34a_100011997053_100011934791 [0,2,0,0,0,0|2,0,0]=4 11746 B12R1.267 Cc1ccncc1OCCCF 7a_100011997053_100011934791 [0,2,0,0,0,0|2,0,0]=4 11747 B12R1.267 Cc1ccncc1OCCCO 34a_100011997053_100000230001 [0,2,0,0,0,0|1,0,0]=3 11748 B12R1.267 Cc1ccncc1OCCCO 7a_100011997053_100011215043 [0,2,0,0,0,0|1,0,0]=3 11749 B12R1.267 Cc1ccncc1SCCCO 62a_100000761580_100011215043 [0,2,0,0,0,0|1,1,0]=4 11750 B12R1.267 Cc1ccncc1SCCCO 62a_100011215043_100000761580 [0,2,0,0,0,0|1,1,0]=4 11751 B12R1.267 Cc1cnccc1CNCCO 2230a_100016997473_100020672808 [0,2,0,0,0,0|2,0,0]=4 11752 B12R1.267 Cc1cnccc1CNCCO 34a_100016990907_100020672809 [0,2,0,0,0,0|2,0,0]=4 11753 B12R1.267 Cc1cnccc1COCCBr 34a_100000211926_100020672809 [0,2,0,0,0,0|2,0,0]=4 11754 B12R1.267 Cc1cnccc1COCCF 34a_100011997032_100011217306 [0,2,0,0,0,0|2,0,0]=4 11755 B12R1.267 Cc1cnccc1COCCN 34a_100000210304_100020672809 [0,2,0,0,0,0|2,0,0]=4 11756 B12R1.267 Cc1cnccc1COCCO 34a_100011997032_100000211926 [0,2,0,0,0,0|1,0,0]=3 11757 B12R1.267 Cc1cnccc1CSCCO 62a_100000211926_100020672808 [0,2,0,0,0,0|1,1,0]=4 11758 B12R1.267 Cc1cnccc1CSCCO 62a_100020672808_100000211926 [0,2,0,0,0,0|1,1,0]=4 11759 B12R1.267 Cc1cnccc1NCCCO 27a_100000182051_100000765111 [0,2,0,0,0,0|2,0,0]=4 11760 B12R1.267 Cc1cnccc1OCCCF 34a_100000694293_100011934791 [0,2,0,0,0,0|2,0,0]=4 11761 B12R1.267 Cc1cnccc1OCCCO 34a_100000694293_100000230001 [0,2,0,0,0,0|1,0,0]=3 11762 B12R1.267 Cc1cnccc1SCCCO 62a_100000765111_100011215043 [0,2,0,0,0,0|1,1,0]=4 11763 B12R1.267 Cc1cnccc1SCCCO 62a_100011215043_100000765111 [0,2,0,0,0,0|1,1,0]=4 11764 B12R1.267 Cc1ncccc1CNCCO 207a_100000210304_100000751968 [0,2,0,0,0,0|2,0,0]=4 11765 B12R1.267 Cc1ncccc1CNCCO 2230a_100016997473_100000732876 [0,2,0,0,0,0|2,0,0]=4 11766 B12R1.267 Cc1ncccc1CNCCO 270004a_100000210304_100000751968 [0,2,0,0,0,0|2,0,0]=4 11767 B12R1.267 Cc1ncccc1CNCCO 34a_100016990907_100000732876 [0,2,0,0,0,0|2,0,0]=4 11768 B12R1.267 Cc1ncccc1COCCBr 34a_100000211926_100000732876 [0,2,0,0,0,0|2,0,0]=4 11769 B12R1.267 Cc1ncccc1COCCF 34a_100000729262_100011217306 [0,2,0,0,0,0|2,0,0]=4 11770 B12R1.267 Cc1ncccc1COCCF 7a_100000729262_100011217306 [0,2,0,0,0,0|2,0,0]=4 11771 B12R1.267 Cc1ncccc1COCCN 34a_100000210304_100000732876 [0,2,0,0,0,0|2,0,0]=4 11772 B12R1.267 Cc1ncccc1COCCO 34a_100000729262_100000211926 [0,2,0,0,0,0|1,0,0]=3 11773 B12R1.267 Cc1ncccc1COCCO 7a_100000729262_100000211926 [0,2,0,0,0,0|1,0,0]=3 11774 B12R1.267 Cc1ncccc1CSCCO 62a_100000211926_100000732876 [0,2,0,0,0,0|1,1,0]=4 11775 B12R1.267 Cc1ncccc1CSCCO 62a_100000732876_100000211926 [0,2,0,0,0,0|1,1,0]=4 11776 B12R1.267 Cc1ncccc1OCCC#N 7a_100000745507_100000184422 [0,2,0,0,0,0|2,0,0]=4 11777 B12R1.267 Cc1ncccc1OCCCF 34a_100000745507_100011934791 [0,2,0,0,0,0|2,0,0]=4 11778 B12R1.267 Cc1ncccc1OCCCF 7a_100000745507_100011934791 [0,2,0,0,0,0|2,0,0]=4 11779 B12R1.267 Cc1ncccc1OCCCO 34a_100000745507_100000230001 [0,2,0,0,0,0|1,0,0]=3 11780 B12R1.267 Cc1ncccc1OCCCO 7a_100000745507_100011215043 [0,2,0,0,0,0|1,0,0]=3 11781 B12R1.267 Cc1ncccc1SCCCO 62a_100000751574_100011215043 [0,2,0,0,0,0|1,1,0]=4 11782 B12R1.267 Cc1ncccc1SCCCO 62a_100011215043_100000751574 [0,2,0,0,0,0|1,1,0]=4 11783 B12R1.267 Cc1nccnc1OCCCO 34a_100000766352_100000230001 [0,2,0,0,0,0|2,0,0]=4 11784 B12R1.267 Clc1ccccc1COCCBr 34a_100000211926_100000187162 [0,2,0,0,0,0|1,0,0]=3 11785 B12R1.267 Clc1ncccc1COCCBr 34a_100000211926_100000045678 [0,2,0,0,0,0|2,0,0]=4 11786 B12R1.267 FCCCNc1ccccc1Br 34a_100000210017_100011934791 [0,2,0,0,0,0|2,0,0]=4 11787 B12R1.267 FCCCNc1ccccc1Cl 34a_100000185783_100011934791 [0,2,0,0,0,0|2,0,0]=4 11788 B12R1.267 FCCCNc1ccccc1F 34a_100000210422_100011934791 [0,2,0,0,0,0|2,0,0]=4 11789 B12R1.267 FCCCNc1ccccc1I 34a_100000210053_100011934791 [0,2,0,0,0,0|2,0,0]=4 11790 B12R1.267 FCCCOc1ccccc1Br 34a_100000181306_100011934791 [0,2,0,0,0,0|1,0,0]=3 11791 B12R1.267 FCCCOc1ccccc1Br 7a_100000181306_100011934791 [0,2,0,0,0,0|1,0,0]=3 11792 B12R1.267 FCCCOc1ccccc1Cl 34a_100000210172_100011934791 [0,2,0,0,0,0|1,0,0]=3 11793 B12R1.267 FCCCOc1ccccc1Cl 7a_100000210172_100011934791 [0,2,0,0,0,0|1,0,0]=3 11794 B12R1.267 FCCCOc1ccccc1F 34a_100000210171_100011934791 [0,2,0,0,0,0|1,0,0]=3 11795 B12R1.267 FCCCOc1ccccc1F 7a_100000210171_100011934791 [0,2,0,0,0,0|1,0,0]=3 11796 B12R1.267 FCCCOc1ccccc1I 34a_100000739446_100011934791 [0,2,0,0,0,0|1,0,0]=3 11797 B12R1.267 FCCCOc1ccccc1I 7a_100000739446_100011934791 [0,2,0,0,0,0|1,0,0]=3 11798 B12R1.267 FCCCOc1cccnc1Br 34a_100000744436_100011934791 [0,2,0,0,0,0|2,0,0]=4 11799 B12R1.267 FCCCOc1cccnc1Br 7a_100000744436_100011934791 [0,2,0,0,0,0|2,0,0]=4 11800 B12R1.267 FCCCOc1cccnc1Cl 34a_100000757616_100011934791 [0,2,0,0,0,0|2,0,0]=4 11801 B12R1.267 FCCCOc1cccnc1Cl 7a_100000757616_100011934791 [0,2,0,0,0,0|2,0,0]=4 11802 B12R1.267 FCCCOc1cccnc1F 34a_100000061740_100011934791 [0,2,0,0,0,0|2,0,0]=4 11803 B12R1.267 FCCCOc1cccnc1F 7a_100000061740_100011934791 [0,2,0,0,0,0|2,0,0]=4 11804 B12R1.267 FCCCOc1cccnc1I 34a_100000034122_100011934791 [0,2,0,0,0,0|2,0,0]=4 11805 B12R1.267 FCCCOc1cccnc1I 7a_100000034122_100011934791 [0,2,0,0,0,0|2,0,0]=4 11806 B12R1.267 FCCCOc1ccncc1Br 34a_100011996408_100011934791 [0,2,0,0,0,0|2,0,0]=4 11807 B12R1.267 FCCCOc1ccncc1Cl 34a_100011997054_100011934791 [0,2,0,0,0,0|2,0,0]=4 11808 B12R1.267 FCCCOc1ccncc1F 34a_200000081243_100011934791 [0,2,0,0,0,0|2,0,0]=4 11809 B12R1.267 FCCCOc1cnccc1Cl 34a_100011996695_100011934791 [0,2,0,0,0,0|2,0,0]=4 11810 B12R1.267 FCCCOc1cnccc1I 34a_100000050107_100011934791 [0,2,0,0,0,0|2,0,0]=4 11811 B12R1.267 FCCCOc1ncccc1Cl 34a_100011290957_100011934791 [0,2,0,0,0,0|2,0,0]=4 11812 B12R1.267 FCCCOc1ncccc1F 34a_100011219419_100011934791 [0,2,0,0,0,0|2,0,0]=4 11813 B12R1.267 FCCCSc1ccccc1Br 62a_100000695589_100011934791 [0,2,0,0,0,0|1,1,0]=4 11814 B12R1.267 FCCCSc1ccccc1Br 62a_100011934791_100000695589 [0,2,0,0,0,0|1,1,0]=4 11815 B12R1.267 FCCCSc1ccccc1Cl 62a_100000764095_100011934791 [0,2,0,0,0,0|1,1,0]=4 11816 B12R1.267 FCCCSc1ccccc1Cl 62a_100011934791_100000764095 [0,2,0,0,0,0|1,1,0]=4 11817 B12R1.267 FCCCSc1ccccc1F 62a_100011215700_100011934791 [0,2,0,0,0,0|1,1,0]=4 11818 B12R1.267 FCCCSc1ccccc1F 62a_100011934791_100011215700 [0,2,0,0,0,0|1,1,0]=4 11819 B12R1.267 FCCNCc1ccccc1Br 2230a_100000689332_100011217306 [0,2,0,0,0,0|2,0,0]=4 11820 B12R1.267 FCCNCc1ccccc1Br 34a_100000689332_100011217306 [0,2,0,0,0,0|2,0,0]=4 11821 B12R1.267 FCCNCc1ccccc1Br 34a_100000724931_100000184730 [0,2,0,0,0,0|2,0,0]=4 11822 B12R1.267 FCCNCc1ccccc1Cl 2230a_100000174879_100011217306 [0,2,0,0,0,0|2,0,0]=4 11823 B12R1.267 FCCNCc1ccccc1Cl 34a_100000174879_100011217306 [0,2,0,0,0,0|2,0,0]=4 11824 B12R1.267 FCCNCc1ccccc1Cl 34a_100000724931_100000187162 [0,2,0,0,0,0|2,0,0]=4 11825 B12R1.267 FCCNCc1ccccc1F 34a_100000174869_100011217306 [0,2,0,0,0,0|2,0,0]=4 11826 B12R1.267 FCCNCc1ccccc1F 34a_100000724931_100000211605 [0,2,0,0,0,0|2,0,0]=4 11827 B12R1.267 FCCNCc1ccccc1I 34a_100000724931_100011215278 [0,2,0,0,0,0|2,0,0]=4 11828 B12R1.267 FCCOCc1ccccc1Br 34a_100000756307_100011217306 [0,2,0,0,0,0|1,0,0]=3 11829 B12R1.267 FCCOCc1ccccc1Br 7a_100000756307_100011217306 [0,2,0,0,0,0|1,0,0]=3 11830 B12R1.267 FCCOCc1ccccc1Cl 34a_100000210847_100011217306 [0,2,0,0,0,0|1,0,0]=3 11831 B12R1.267 FCCOCc1ccccc1Cl 7a_100000210847_100011217306 [0,2,0,0,0,0|1,0,0]=3 11832 B12R1.267 FCCOCc1ccccc1F 34a_100000211962_100011217306 [0,2,0,0,0,0|1,0,0]=3 11833 B12R1.267 FCCOCc1ccccc1F 7a_100000211962_100011217306 [0,2,0,0,0,0|1,0,0]=3 11834 B12R1.267 FCCOCc1ccccc1I 34a_100000187465_100011217306 [0,2,0,0,0,0|1,0,0]=3 11835 B12R1.267 FCCOCc1ccccc1I 7a_100000187465_100011217306 [0,2,0,0,0,0|1,0,0]=3 11836 B12R1.267 FCCOCc1cccnc1Br 34a_100000719692_100011217306 [0,2,0,0,0,0|2,0,0]=4 11837 B12R1.267 FCCOCc1cccnc1Br 7a_100000719692_100011217306 [0,2,0,0,0,0|2,0,0]=4 11838 B12R1.267 FCCOCc1cccnc1Cl 34a_100000748726_100011217306 [0,2,0,0,0,0|2,0,0]=4 11839 B12R1.267 FCCOCc1cccnc1Cl 7a_100000748726_100011217306 [0,2,0,0,0,0|2,0,0]=4 11840 B12R1.267 FCCOCc1cccnc1F 34a_100000079888_100011217306 [0,2,0,0,0,0|2,0,0]=4 11841 B12R1.267 FCCOCc1cccnc1F 7a_100000079888_100011217306 [0,2,0,0,0,0|2,0,0]=4 11842 B12R1.267 FCCOCc1ccncc1F 34a_100012172863_100011217306 [0,2,0,0,0,0|2,0,0]=4 11843 B12R1.267 FCCOCc1cnccc1Cl 34a_100000117392_100011217306 [0,2,0,0,0,0|2,0,0]=4 11844 B12R1.267 FCCOCc1ncccc1Br 34a_100011996772_100011217306 [0,2,0,0,0,0|2,0,0]=4 11845 B12R1.267 FCCOCc1ncccc1Cl 34a_100012002383_100011217306 [0,2,0,0,0,0|2,0,0]=4 11846 B12R1.267 FCCOCc1ncccc1F 34a_100011934865_100011217306 [0,2,0,0,0,0|2,0,0]=4 11847 B12R1.267 FCCSCc1ccccc1Br 62a_100000184730_100011217306 [0,2,0,0,0,0|1,1,0]=4 11848 B12R1.267 FCCSCc1ccccc1Br 62a_100011217306_100000184730 [0,2,0,0,0,0|1,1,0]=4 11849 B12R1.267 FCCSCc1ccccc1Cl 62a_100000187162_100011217306 [0,2,0,0,0,0|1,1,0]=4 11850 B12R1.267 FCCSCc1ccccc1Cl 62a_100011217306_100000187162 [0,2,0,0,0,0|1,1,0]=4 11851 B12R1.267 FCCSCc1ccccc1F 62a_100000211605_100011217306 [0,2,0,0,0,0|1,1,0]=4 11852 B12R1.267 FCCSCc1ccccc1F 62a_100011217306_100000211605 [0,2,0,0,0,0|1,1,0]=4 11853 B12R1.267 FCCSCc1ccccc1I 62a_100011216222_100011217306 [0,2,0,0,0,0|1,1,0]=4 11854 B12R1.267 FCCSCc1ccccc1I 62a_100011217306_100011216222 [0,2,0,0,0,0|1,1,0]=4 11855 B12R1.267 FCNCCc1ccccc1Br 34a_100000747383_100015361967 [0,2,0,0,0,0|2,0,0]=4 11856 B12R1.267 FCNCCc1ccccc1Cl 34a_100011207228_100015361967 [0,2,0,0,0,0|2,0,0]=4 11857 B12R1.267 FCNCCc1ccccc1F 34a_100000185272_100015361967 [0,2,0,0,0,0|2,0,0]=4 11858 B12R1.267 FCOCCc1ccccc1Br 34a_100000731337_100015361967 [0,2,0,0,0,0|2,0,0]=4 11859 B12R1.267 FCOCCc1ccccc1Br 7a_100000731337_100015361967 [0,2,0,0,0,0|2,0,0]=4 11860 B12R1.267 FCOCCc1ccccc1Cl 34a_100011215284_100015361967 [0,2,0,0,0,0|2,0,0]=4 11861 B12R1.267 FCOCCc1ccccc1Cl 7a_100011215284_100015361967 [0,2,0,0,0,0|2,0,0]=4 11862 B12R1.267 FCOCCc1ccccc1F 34a_100000753711_100015361967 [0,2,0,0,0,0|2,0,0]=4 11863 B12R1.267 FCOCCc1ccccc1F 7a_100000753711_100015361967 [0,2,0,0,0,0|2,0,0]=4 11864 B12R1.267 FCOCCc1ccccc1I 34a_100010255290_100015361967 [0,2,0,0,0,0|2,0,0]=4 11865 B12R1.267 FCOCCc1ccccc1I 7a_100010255290_100015361967 [0,2,0,0,0,0|2,0,0]=4 11866 B12R1.267 FCSCCc1ccccc1Br 62a_100012161201_100015361967 [0,2,0,0,0,0|2,0,0]=4 11867 B12R1.267 FCSCCc1ccccc1Br 62a_100015361967_100012161201 [0,2,0,0,0,0|2,0,0]=4 11868 B12R1.267 FCSCCc1ccccc1Cl 62a_100011713703_100015361967 [0,2,0,0,0,0|2,0,0]=4 11869 B12R1.267 FCSCCc1ccccc1Cl 62a_100015361967_100011713703 [0,2,0,0,0,0|2,0,0]=4 11870 B12R1.267 FCSCCc1ccccc1F 62a_100011713696_100015361967 [0,2,0,0,0,0|2,0,0]=4 11871 B12R1.267 FCSCCc1ccccc1F 62a_100015361967_100011713696 [0,2,0,0,0,0|2,0,0]=4 11872 B12R1.267 Fc1ccccc1COCCBr 34a_100000211926_100000211605 [0,2,0,0,0,0|1,0,0]=3 11873 B12R1.267 Fc1cccnc1COCCBr 34a_100000211926_100000104219 [0,2,0,0,0,0|2,0,0]=4 11874 B12R1.267 Fc1ncccc1COCCBr 34a_100000211926_100000099810 [0,2,0,0,0,0|2,0,0]=4 11875 B12R1.267 N#CCCOc1cccc[n+]1[O-] 7a_100000211761_100000184422 [0,2,0,0,0,0|2,0,0]=4 11876 B12R1.267 N#CCCOc1ccccc1Br 7a_100000181306_100000184422 [0,2,0,0,0,0|1,0,0]=3 11877 B12R1.267 N#CCCOc1ccccc1Cl 7a_100000210172_100000184422 [0,2,0,0,0,0|1,0,0]=3 11878 B12R1.267 N#CCCOc1ccccc1F 7a_100000210171_100000184422 [0,2,0,0,0,0|1,0,0]=3 11879 B12R1.267 N#CCCOc1ccccc1I 7a_100000739446_100000184422 [0,2,0,0,0,0|1,0,0]=3 11880 B12R1.267 N#CCCOc1ccccc1N 7a_100000185747_100000184422 [0,2,0,0,0,0|1,0,0]=3 11881 B12R1.267 N#CCCOc1cccnc1Br 7a_100000744436_100000184422 [0,2,0,0,0,0|2,0,0]=4 11882 B12R1.267 N#CCCOc1cccnc1Cl 7a_100000757616_100000184422 [0,2,0,0,0,0|2,0,0]=4 11883 B12R1.267 N#CCCOc1cccnc1F 7a_100000061740_100000184422 [0,2,0,0,0,0|2,0,0]=4 11884 B12R1.267 N#CCCOc1cccnc1I 7a_100000034122_100000184422 [0,2,0,0,0,0|2,0,0]=4 11885 B12R1.267 N#CCCOc1cccnc1N 7a_100000211975_100000184422 [0,2,0,0,0,0|2,0,0]=4 11886 B12R1.267 N#CCCOc1cccoc1=O 7a_100000077404_100000184422 [0,2,0,0,0,0|2,0,0]=4 11887 B12R1.267 N#CCCSc1ccccc1Br 62a_100000695589_100011215226 [0,2,0,0,0,0|1,1,0]=4 11888 B12R1.267 N#CCCSc1ccccc1Br 62a_100011215226_100000695589 [0,2,0,0,0,0|1,1,0]=4 11889 B12R1.267 N#CCCSc1ccccc1Cl 62a_100000764095_100011215226 [0,2,0,0,0,0|1,1,0]=4 11890 B12R1.267 N#CCCSc1ccccc1Cl 62a_100011215226_100000764095 [0,2,0,0,0,0|1,1,0]=4 11891 B12R1.267 N#CCCSc1ccccc1F 62a_100011215226_100011215700 [0,2,0,0,0,0|1,1,0]=4 11892 B12R1.267 N#CCCSc1ccccc1F 62a_100011215700_100011215226 [0,2,0,0,0,0|1,1,0]=4 11893 B12R1.267 N#CCCSc1ccccc1N 62a_100000210017_100011215226 [0,2,0,0,0,0|1,1,0]=4 11894 B12R1.267 N#CCCSc1ccccc1N 62a_100011215226_100000210017 [0,2,0,0,0,0|1,1,0]=4 11895 B12R1.267 N#CCCSc1ccccc1O 62a_100000739446_100011215226 [0,2,0,0,0,0|1,1,0]=4 11896 B12R1.267 N#CCCSc1ccccc1O 62a_100011215226_100000739446 [0,2,0,0,0,0|1,1,0]=4 11897 B12R1.267 N#CCOCc1ccccc1Br 7a_100000756307_100011215382 [0,2,0,0,0,0|1,0,1]=4 11898 B12R1.267 N#CCOCc1ccccc1Cl 7a_100000210847_100011215382 [0,2,0,0,0,0|1,0,1]=4 11899 B12R1.267 N#CCOCc1ccccc1F 7a_100000211962_100011215382 [0,2,0,0,0,0|1,0,1]=4 11900 B12R1.267 N#CCOCc1ccccc1I 7a_100000187465_100011215382 [0,2,0,0,0,0|1,0,1]=4 11901 B12R1.267 NCCOCc1ccccc1Br 34a_100000210304_100000184730 [0,2,0,0,0,0|1,0,0]=3 11902 B12R1.267 NCCOCc1ccccc1Cl 34a_100000210304_100000187162 [0,2,0,0,0,0|1,0,0]=3 11903 B12R1.267 NCCOCc1ccccc1F 34a_100000210304_100000211605 [0,2,0,0,0,0|1,0,0]=3 11904 B12R1.267 NCCOCc1ccccc1I 34a_100000210304_100011215278 [0,2,0,0,0,0|1,0,0]=3 11905 B12R1.267 NCCOCc1cccnc1Br 34a_100000210304_100010140945 [0,2,0,0,0,0|2,0,0]=4 11906 B12R1.267 NCCOCc1cccnc1Cl 34a_100000210304_100000045678 [0,2,0,0,0,0|2,0,0]=4 11907 B12R1.267 NCCOCc1cccnc1F 34a_100000210304_100000099810 [0,2,0,0,0,0|2,0,0]=4 11908 B12R1.267 NCCOCc1ncccc1Br 34a_100000210304_100025702911 [0,2,0,0,0,0|2,0,0]=4 11909 B12R1.267 NCCOCc1ncccc1F 34a_100000210304_100000104219 [0,2,0,0,0,0|2,0,0]=4 11910 B12R1.267 NCCOCc1ncccc1O 34a_100000210304_200020655725 [0,2,0,0,0,0|2,0,0]=4 11911 B12R1.267 Nc1ccccc1CCOCF 34a_100011215289_100015361967 [0,2,0,0,0,0|2,0,0]=4 11912 B12R1.267 Nc1ccccc1COCC=O 34a_100000212039_200009817547 [0,2,0,0,0,0|0,0,2]=4 11913 B12R1.267 Nc1ccccc1COCCF 34a_100000212039_100011217306 [0,2,0,0,0,0|1,0,0]=3 11914 B12R1.267 Nc1ccccc1COCCO 34a_100000212039_100000211926 [0,2,0,0,0,0|0,0,0]=2 11915 B12R1.267 Nc1ccccc1OCCCF 34a_100000185747_100011934791 [0,2,0,0,0,0|1,0,0]=3 11916 B12R1.267 Nc1ccccc1OCCCF 7a_100000185747_100011934791 [0,2,0,0,0,0|1,0,0]=3 11917 B12R1.267 Nc1ccccc1OCCCO 34a_100000185747_100000230001 [0,2,0,0,0,0|0,0,0]=2 11918 B12R1.267 Nc1ccccc1OCCCO 7a_100000185747_100011215043 [0,2,0,0,0,0|0,0,0]=2 11919 B12R1.267 Nc1ccccc1SCCCF 62a_100000210017_100011934791 [0,2,0,0,0,0|1,1,0]=4 11920 B12R1.267 Nc1ccccc1SCCCF 62a_100011934791_100000210017 [0,2,0,0,0,0|1,1,0]=4 11921 B12R1.267 Nc1ccccc1SCCCO 62a_100000210017_100011215043 [0,2,0,0,0,0|0,1,0]=3 11922 B12R1.267 Nc1ccccc1SCCCO 62a_100011215043_100000210017 [0,2,0,0,0,0|0,1,0]=3 11923 B12R1.267 Nc1cccnc1COCCF 34a_114873767017_100011217306 [0,2,0,0,0,0|2,0,0]=4 11924 B12R1.267 Nc1cccnc1COCCO 34a_114873767017_100000211926 [0,2,0,0,0,0|1,0,0]=3 11925 B12R1.267 Nc1cccnc1OCCCF 34a_100000746358_100011934791 [0,2,0,0,0,0|2,0,0]=4 11926 B12R1.267 Nc1cccnc1OCCCO 34a_100000746358_100000230001 [0,2,0,0,0,0|1,0,0]=3 11927 B12R1.267 Nc1cccnc1SCCCO 62a_100000688686_100011215043 [0,2,0,0,0,0|1,1,0]=4 11928 B12R1.267 Nc1cccnc1SCCCO 62a_100011215043_100000688686 [0,2,0,0,0,0|1,1,0]=4 11929 B12R1.267 Nc1ccncc1OCCCF 34a_100000753702_100011934791 [0,2,0,0,0,0|2,0,0]=4 11930 B12R1.267 Nc1ccncc1OCCCO 34a_100000753702_100000230001 [0,2,0,0,0,0|1,0,0]=3 11931 B12R1.267 Nc1ccncc1SCCCO 62a_100000047001_100011215043 [0,2,0,0,0,0|1,1,0]=4 11932 B12R1.267 Nc1ccncc1SCCCO 62a_100011215043_100000047001 [0,2,0,0,0,0|1,1,0]=4 11933 B12R1.267 Nc1cnccc1SCCCO 62a_100000756074_100011215043 [0,2,0,0,0,0|1,1,0]=4 11934 B12R1.267 Nc1cnccc1SCCCO 62a_100011215043_100000756074 [0,2,0,0,0,0|1,1,0]=4 11935 B12R1.267 Nc1ncccc1OCCCF 34a_100000211975_100011934791 [0,2,0,0,0,0|2,0,0]=4 11936 B12R1.267 Nc1ncccc1OCCCF 7a_100000211975_100011934791 [0,2,0,0,0,0|2,0,0]=4 11937 B12R1.267 Nc1ncccc1OCCCO 34a_100000211975_100000230001 [0,2,0,0,0,0|1,0,0]=3 11938 B12R1.267 Nc1ncccc1OCCCO 7a_100000211975_100011215043 [0,2,0,0,0,0|1,0,0]=3 11939 B12R1.267 Nc1ncccc1SCCCO 62a_100000045569_100011215043 [0,2,0,0,0,0|1,1,0]=4 11940 B12R1.267 Nc1ncccc1SCCCO 62a_100011215043_100000045569 [0,2,0,0,0,0|1,1,0]=4 11941 B12R1.267 Nc1ncncc1OCCCO 7a_100000112926_100011215043 [0,2,0,0,0,0|2,0,0]=4 11942 B12R1.267 O=CCOCc1ccccc1Br 34a_100000756307_200009817547 [0,2,0,0,0,0|0,0,2]=4 11943 B12R1.267 O=CCOCc1ccccc1Br 7a_100000756307_200015260668 [0,2,0,0,0,0|0,0,2]=4 11944 B12R1.267 O=CCOCc1ccccc1Cl 34a_100000210847_200009817547 [0,2,0,0,0,0|0,0,2]=4 11945 B12R1.267 O=CCOCc1ccccc1Cl 7a_100000210847_200015260668 [0,2,0,0,0,0|0,0,2]=4 11946 B12R1.267 O=CCOCc1ccccc1F 34a_100000211962_200009817547 [0,2,0,0,0,0|0,0,2]=4 11947 B12R1.267 O=CCOCc1ccccc1F 7a_100000211962_200015260668 [0,2,0,0,0,0|0,0,2]=4 11948 B12R1.267 O=CCOCc1ccccc1I 34a_100000187465_200009817547 [0,2,0,0,0,0|0,0,2]=4 11949 B12R1.267 O=CCOCc1ccccc1I 7a_100000187465_200015260668 [0,2,0,0,0,0|0,0,2]=4 11950 B12R1.267 O=c1cc[nH]cc1SCCCO 62a_100009998708_100011215043 [0,2,0,0,0,0|1,1,0]=4 11951 B12R1.267 O=c1cc[nH]cc1SCCCO 62a_100011215043_100009998708 [0,2,0,0,0,0|1,1,0]=4 11952 B12R1.267 O=c1ccocc1OCCCF 34a_100000060831_100011934791 [0,2,0,0,0,0|2,0,0]=4 11953 B12R1.267 O=c1ccocc1OCCCO 34a_100000060831_100000230001 [0,2,0,0,0,0|1,0,0]=3 11954 B12R1.267 O=c1occcc1OCCCF 34a_100000077404_100011934791 [0,2,0,0,0,0|2,0,0]=4 11955 B12R1.267 O=c1occcc1OCCCF 7a_100000077404_100011934791 [0,2,0,0,0,0|2,0,0]=4 11956 B12R1.267 O=c1occcc1OCCCO 34a_100000077404_100000230001 [0,2,0,0,0,0|1,0,0]=3 11957 B12R1.267 O=c1occcc1OCCCO 7a_100000077404_100011215043 [0,2,0,0,0,0|1,0,0]=3 11958 B12R1.267 OCCCCc1ccccc1O 271570a_203496583355_100012092669 [0,2,0,0,0,0|1,0,0]=3 11959 B12R1.267 OCCCNc1ccccc1Br 34a_100000210017_100000230001 [0,2,0,0,0,0|1,0,0]=3 11960 B12R1.267 OCCCNc1ccccc1Cl 34a_100000185783_100000230001 [0,2,0,0,0,0|1,0,0]=3 11961 B12R1.267 OCCCNc1ccccc1F 34a_100000210422_100000230001 [0,2,0,0,0,0|1,0,0]=3 11962 B12R1.267 OCCCNc1ccccc1I 34a_100000210053_100000230001 [0,2,0,0,0,0|1,0,0]=3 11963 B12R1.267 OCCCNc1ccccc1O 34a_100000185747_100000230001 [0,2,0,0,0,0|1,0,0]=3 11964 B12R1.267 OCCCNc1ccncc1Br 27a_100000182051_100000726257 [0,2,0,0,0,0|2,0,0]=4 11965 B12R1.267 OCCCNc1ccncc1F 27a_100000182051_100000035921 [0,2,0,0,0,0|2,0,0]=4 11966 B12R1.267 OCCCNc1ncccc1Br 27a_100000182051_100000696092 [0,2,0,0,0,0|2,0,0]=4 11967 B12R1.267 OCCCOc1ccccc1Br 34a_100000181306_100000230001 [0,2,0,0,0,0|0,0,0]=2 11968 B12R1.267 OCCCOc1ccccc1Br 7a_100000181306_100011215043 [0,2,0,0,0,0|0,0,0]=2 11969 B12R1.267 OCCCOc1ccccc1Cl 34a_100000210172_100000230001 [0,2,0,0,0,0|0,0,0]=2 11970 B12R1.267 OCCCOc1ccccc1Cl 7a_100000210172_100011215043 [0,2,0,0,0,0|0,0,0]=2 11971 B12R1.267 OCCCOc1ccccc1F 34a_100000210171_100000230001 [0,2,0,0,0,0|0,0,0]=2 11972 B12R1.267 OCCCOc1ccccc1F 7a_100000210171_100011215043 [0,2,0,0,0,0|0,0,0]=2 11973 B12R1.267 OCCCOc1ccccc1I 34a_100000739446_100000230001 [0,2,0,0,0,0|0,0,0]=2 11974 B12R1.267 OCCCOc1ccccc1I 7a_100000739446_100011215043 [0,2,0,0,0,0|0,0,0]=2 11975 B12R1.267 OCCCOc1cccnc1Br 34a_100000744436_100000230001 [0,2,0,0,0,0|1,0,0]=3 11976 B12R1.267 OCCCOc1cccnc1Br 7a_100000744436_100011215043 [0,2,0,0,0,0|1,0,0]=3 11977 B12R1.267 OCCCOc1cccnc1Cl 34a_100000757616_100000230001 [0,2,0,0,0,0|1,0,0]=3 11978 B12R1.267 OCCCOc1cccnc1Cl 7a_100000757616_100011215043 [0,2,0,0,0,0|1,0,0]=3 11979 B12R1.267 OCCCOc1cccnc1F 34a_100000061740_100000230001 [0,2,0,0,0,0|1,0,0]=3 11980 B12R1.267 OCCCOc1cccnc1F 7a_100000061740_100011215043 [0,2,0,0,0,0|1,0,0]=3 11981 B12R1.267 OCCCOc1cccnc1I 34a_100000034122_100000230001 [0,2,0,0,0,0|1,0,0]=3 11982 B12R1.267 OCCCOc1cccnc1I 7a_100000034122_100011215043 [0,2,0,0,0,0|1,0,0]=3 11983 B12R1.267 OCCCOc1ccncc1Br 34a_100011996408_100000230001 [0,2,0,0,0,0|1,0,0]=3 11984 B12R1.267 OCCCOc1ccncc1Cl 34a_100011997054_100000230001 [0,2,0,0,0,0|1,0,0]=3 11985 B12R1.267 OCCCOc1ccncc1F 34a_200000081243_100000230001 [0,2,0,0,0,0|1,0,0]=3 11986 B12R1.267 OCCCOc1cnccc1Cl 34a_100011996695_100000230001 [0,2,0,0,0,0|1,0,0]=3 11987 B12R1.267 OCCCOc1cnccc1I 34a_100000050107_100000230001 [0,2,0,0,0,0|1,0,0]=3 11988 B12R1.267 OCCCOc1ncccc1Cl 34a_100011290957_100000230001 [0,2,0,0,0,0|1,0,0]=3 11989 B12R1.267 OCCCOc1ncccc1F 34a_100011219419_100000230001 [0,2,0,0,0,0|1,0,0]=3 11990 B12R1.267 OCCCSc1c[nH]ccc1=S 62a_100011215043_200012280681 [0,2,0,0,0,0|1,1,0]=4 11991 B12R1.267 OCCCSc1c[nH]ccc1=S 62a_200012280681_100011215043 [0,2,0,0,0,0|1,1,0]=4 11992 B12R1.267 OCCCSc1ccccc1Br 62a_100000695589_100011215043 [0,2,0,0,0,0|0,1,0]=3 11993 B12R1.267 OCCCSc1ccccc1Br 62a_100011215043_100000695589 [0,2,0,0,0,0|0,1,0]=3 11994 B12R1.267 OCCCSc1ccccc1Cl 62a_100000764095_100011215043 [0,2,0,0,0,0|0,1,0]=3 11995 B12R1.267 OCCCSc1ccccc1Cl 62a_100011215043_100000764095 [0,2,0,0,0,0|0,1,0]=3 11996 B12R1.267 OCCCSc1ccccc1F 62a_100011215043_100011215700 [0,2,0,0,0,0|0,1,0]=3 11997 B12R1.267 OCCCSc1ccccc1F 62a_100011215700_100011215043 [0,2,0,0,0,0|0,1,0]=3 11998 B12R1.267 OCCCSc1ccccc1O 62a_100000739446_100011215043 [0,2,0,0,0,0|0,1,0]=3 11999 B12R1.267 OCCCSc1ccccc1O 62a_100011215043_100000739446 [0,2,0,0,0,0|0,1,0]=3 12000 B12R1.267 OCCCSc1cccnc1Br 62a_100010202626_100011215043 [0,2,0,0,0,0|1,1,0]=4 12001 B12R1.267 OCCCSc1cccnc1Br 62a_100011215043_100010202626 [0,2,0,0,0,0|1,1,0]=4 12002 B12R1.267 OCCCSc1cccnc1Cl 62a_100000036424_100011215043 [0,2,0,0,0,0|1,1,0]=4 12003 B12R1.267 OCCCSc1cccnc1Cl 62a_100011215043_100000036424 [0,2,0,0,0,0|1,1,0]=4 12004 B12R1.267 OCCCSc1cccnc1F 62a_100009816115_100011215043 [0,2,0,0,0,0|1,1,0]=4 12005 B12R1.267 OCCCSc1cccnc1F 62a_100011215043_100009816115 [0,2,0,0,0,0|1,1,0]=4 12006 B12R1.267 OCCCSc1cccnc1O 62a_100000760158_100011215043 [0,2,0,0,0,0|1,1,0]=4 12007 B12R1.267 OCCCSc1cccnc1O 62a_100011215043_100000760158 [0,2,0,0,0,0|1,1,0]=4 12008 B12R1.267 OCCCSc1ccncc1Br 62a_100000726257_100011215043 [0,2,0,0,0,0|1,1,0]=4 12009 B12R1.267 OCCCSc1ccncc1Br 62a_100011215043_100000726257 [0,2,0,0,0,0|1,1,0]=4 12010 B12R1.267 OCCCSc1ccncc1Cl 62a_100000708259_100011215043 [0,2,0,0,0,0|1,1,0]=4 12011 B12R1.267 OCCCSc1ccncc1Cl 62a_100011215043_100000708259 [0,2,0,0,0,0|1,1,0]=4 12012 B12R1.267 OCCCSc1ccncc1F 62a_100000047030_100011215043 [0,2,0,0,0,0|1,1,0]=4 12013 B12R1.267 OCCCSc1ccncc1F 62a_100011215043_100000047030 [0,2,0,0,0,0|1,1,0]=4 12014 B12R1.267 OCCCSc1ccncc1O 62a_100009817591_100011215043 [0,2,0,0,0,0|1,1,0]=4 12015 B12R1.267 OCCCSc1ccncc1O 62a_100011215043_100009817591 [0,2,0,0,0,0|1,1,0]=4 12016 B12R1.267 OCCCSc1cnccc1Br 62a_100010138639_100011215043 [0,2,0,0,0,0|1,1,0]=4 12017 B12R1.267 OCCCSc1cnccc1Br 62a_100011215043_100010138639 [0,2,0,0,0,0|1,1,0]=4 12018 B12R1.267 OCCCSc1cnccc1Cl 62a_100009995489_100011215043 [0,2,0,0,0,0|1,1,0]=4 12019 B12R1.267 OCCCSc1cnccc1Cl 62a_100011215043_100009995489 [0,2,0,0,0,0|1,1,0]=4 12020 B12R1.267 OCCCSc1cnccc1F 62a_100009820683_100011215043 [0,2,0,0,0,0|1,1,0]=4 12021 B12R1.267 OCCCSc1cnccc1F 62a_100011215043_100009820683 [0,2,0,0,0,0|1,1,0]=4 12022 B12R1.267 OCCCSc1ncccc1Br 62a_100000696092_100011215043 [0,2,0,0,0,0|1,1,0]=4 12023 B12R1.267 OCCCSc1ncccc1Br 62a_100011215043_100000696092 [0,2,0,0,0,0|1,1,0]=4 12024 B12R1.267 OCCCSc1ncccc1Cl 62a_100011215043_100011356963 [0,2,0,0,0,0|1,1,0]=4 12025 B12R1.267 OCCCSc1ncccc1Cl 62a_100011356963_100011215043 [0,2,0,0,0,0|1,1,0]=4 12026 B12R1.267 OCCCSc1ncccc1F 62a_100000685392_100011215043 [0,2,0,0,0,0|1,1,0]=4 12027 B12R1.267 OCCCSc1ncccc1F 62a_100011215043_100000685392 [0,2,0,0,0,0|1,1,0]=4 12028 B12R1.267 OCCCSc1ncccc1O 62a_100000034122_100011215043 [0,2,0,0,0,0|1,1,0]=4 12029 B12R1.267 OCCCSc1ncccc1O 62a_100011215043_100000034122 [0,2,0,0,0,0|1,1,0]=4 12030 B12R1.267 OCCNCc1ccccc1Br 207a_100000210304_100000211189 [0,2,0,0,0,0|1,0,0]=3 12031 B12R1.267 OCCNCc1ccccc1Br 2230a_100000689332_100000211926 [0,2,0,0,0,0|1,0,0]=3 12032 B12R1.267 OCCNCc1ccccc1Br 2230a_100016997473_100000184730 [0,2,0,0,0,0|1,0,0]=3 12033 B12R1.267 OCCNCc1ccccc1Br 270004a_100000210304_100000211189 [0,2,0,0,0,0|1,0,0]=3 12034 B12R1.267 OCCNCc1ccccc1Br 34a_100000689332_100000211926 [0,2,0,0,0,0|1,0,0]=3 12035 B12R1.267 OCCNCc1ccccc1Br 34a_100016990907_100000184730 [0,2,0,0,0,0|1,0,0]=3 12036 B12R1.267 OCCNCc1ccccc1Cl 207a_100000210304_100000210073 [0,2,0,0,0,0|1,0,0]=3 12037 B12R1.267 OCCNCc1ccccc1Cl 2230a_100000174879_100000211926 [0,2,0,0,0,0|1,0,0]=3 12038 B12R1.267 OCCNCc1ccccc1Cl 2230a_100016997473_100000187162 [0,2,0,0,0,0|1,0,0]=3 12039 B12R1.267 OCCNCc1ccccc1Cl 270004a_100000210304_100000210073 [0,2,0,0,0,0|1,0,0]=3 12040 B12R1.267 OCCNCc1ccccc1Cl 34a_100000174879_100000211926 [0,2,0,0,0,0|1,0,0]=3 12041 B12R1.267 OCCNCc1ccccc1Cl 34a_100016990907_100000187162 [0,2,0,0,0,0|1,0,0]=3 12042 B12R1.267 OCCNCc1ccccc1F 207a_100000210304_100000210811 [0,2,0,0,0,0|1,0,0]=3 12043 B12R1.267 OCCNCc1ccccc1F 2230a_100016997473_100000211605 [0,2,0,0,0,0|1,0,0]=3 12044 B12R1.267 OCCNCc1ccccc1F 270004a_100000210304_100000210811 [0,2,0,0,0,0|1,0,0]=3 12045 B12R1.267 OCCNCc1ccccc1F 34a_100000174869_100000211926 [0,2,0,0,0,0|1,0,0]=3 12046 B12R1.267 OCCNCc1ccccc1F 34a_100016990907_100000211605 [0,2,0,0,0,0|1,0,0]=3 12047 B12R1.267 OCCNCc1ccccc1I 207a_100000210304_100000010305 [0,2,0,0,0,0|1,0,0]=3 12048 B12R1.267 OCCNCc1ccccc1I 2230a_100016997473_100011215278 [0,2,0,0,0,0|1,0,0]=3 12049 B12R1.267 OCCNCc1ccccc1I 270004a_100000210304_100000010305 [0,2,0,0,0,0|1,0,0]=3 12050 B12R1.267 OCCNCc1ccccc1I 34a_100016990907_100011215278 [0,2,0,0,0,0|1,0,0]=3 12051 B12R1.267 OCCNCc1ccccc1O 271570a_203496583355_106744479749 [0,2,0,0,0,0|1,0,0]=3 12052 B12R1.267 OCCNCc1ccccc1O 34a_100000185550_100000211926 [0,2,0,0,0,0|1,0,0]=3 12053 B12R1.267 OCCNCc1cccnc1Br 2230a_100009818023_100000211926 [0,2,0,0,0,0|2,0,0]=4 12054 B12R1.267 OCCNCc1cccnc1Br 2230a_100016997473_100010140945 [0,2,0,0,0,0|2,0,0]=4 12055 B12R1.267 OCCNCc1cccnc1Br 34a_100009818023_100000211926 [0,2,0,0,0,0|2,0,0]=4 12056 B12R1.267 OCCNCc1cccnc1Br 34a_100016990907_100010140945 [0,2,0,0,0,0|2,0,0]=4 12057 B12R1.267 OCCNCc1cccnc1Cl 2230a_100015189234_100000211926 [0,2,0,0,0,0|2,0,0]=4 12058 B12R1.267 OCCNCc1cccnc1Cl 2230a_100016997473_100000045678 [0,2,0,0,0,0|2,0,0]=4 12059 B12R1.267 OCCNCc1cccnc1Cl 34a_100015189234_100000211926 [0,2,0,0,0,0|2,0,0]=4 12060 B12R1.267 OCCNCc1cccnc1Cl 34a_100016990907_100000045678 [0,2,0,0,0,0|2,0,0]=4 12061 B12R1.267 OCCNCc1cccnc1F 2230a_100016997473_100000099810 [0,2,0,0,0,0|2,0,0]=4 12062 B12R1.267 OCCNCc1cccnc1F 34a_100000724633_100000211926 [0,2,0,0,0,0|2,0,0]=4 12063 B12R1.267 OCCNCc1cccnc1F 34a_100016990907_100000099810 [0,2,0,0,0,0|2,0,0]=4 12064 B12R1.267 OCCNCc1cccnc1O 207a_100000210304_100011998315 [0,2,0,0,0,0|2,0,0]=4 12065 B12R1.267 OCCNCc1cccnc1O 270004a_100000210304_100011998315 [0,2,0,0,0,0|2,0,0]=4 12066 B12R1.267 OCCNCc1ccncc1Br 270004a_100000210304_100000755692 [0,2,0,0,0,0|2,0,0]=4 12067 B12R1.267 OCCNCc1ccncc1Cl 207a_100000210304_100011934409 [0,2,0,0,0,0|2,0,0]=4 12068 B12R1.267 OCCNCc1ccncc1Cl 2230a_100016997473_100000763264 [0,2,0,0,0,0|2,0,0]=4 12069 B12R1.267 OCCNCc1ccncc1Cl 270004a_100000210304_100011934409 [0,2,0,0,0,0|2,0,0]=4 12070 B12R1.267 OCCNCc1ccncc1F 34a_100011935246_100000211926 [0,2,0,0,0,0|2,0,0]=4 12071 B12R1.267 OCCNCc1cnccc1Br 270004a_100000210304_100009816821 [0,2,0,0,0,0|2,0,0]=4 12072 B12R1.267 OCCNCc1cnccc1Cl 270004a_100000210304_100000050567 [0,2,0,0,0,0|2,0,0]=4 12073 B12R1.267 OCCNCc1ncccc1Br 207a_100000210304_100011934733 [0,2,0,0,0,0|2,0,0]=4 12074 B12R1.267 OCCNCc1ncccc1Br 2230a_100016997473_100025702911 [0,2,0,0,0,0|2,0,0]=4 12075 B12R1.267 OCCNCc1ncccc1Br 270004a_100000210304_100011934733 [0,2,0,0,0,0|2,0,0]=4 12076 B12R1.267 OCCNCc1ncccc1Br 34a_100016990907_100025702911 [0,2,0,0,0,0|2,0,0]=4 12077 B12R1.267 OCCNCc1ncccc1Cl 207a_100000210304_100012001307 [0,2,0,0,0,0|2,0,0]=4 12078 B12R1.267 OCCNCc1ncccc1Cl 2230a_100015189233_100000211926 [0,2,0,0,0,0|2,0,0]=4 12079 B12R1.267 OCCNCc1ncccc1Cl 2230a_100016997473_100000099807 [0,2,0,0,0,0|2,0,0]=4 12080 B12R1.267 OCCNCc1ncccc1Cl 270004a_100000210304_100012001307 [0,2,0,0,0,0|2,0,0]=4 12081 B12R1.267 OCCNCc1ncccc1F 207a_100000210304_100011934734 [0,2,0,0,0,0|2,0,0]=4 12082 B12R1.267 OCCNCc1ncccc1F 2230a_100016997473_100000104219 [0,2,0,0,0,0|2,0,0]=4 12083 B12R1.267 OCCNCc1ncccc1F 270004a_100000210304_100011934734 [0,2,0,0,0,0|2,0,0]=4 12084 B12R1.267 OCCNCc1ncccc1F 34a_100000690088_100000211926 [0,2,0,0,0,0|2,0,0]=4 12085 B12R1.267 OCCNCc1ncccc1F 34a_100016990907_100000104219 [0,2,0,0,0,0|2,0,0]=4 12086 B12R1.267 OCCNCc1ncccc1O 34a_100016990907_200020655725 [0,2,0,0,0,0|2,0,0]=4 12087 B12R1.267 OCCOCc1ccccc1Br 34a_100000756307_100000211926 [0,2,0,0,0,0|0,0,0]=2 12088 B12R1.267 OCCOCc1ccccc1Br 7a_100000756307_100000211926 [0,2,0,0,0,0|0,0,0]=2 12089 B12R1.267 OCCOCc1ccccc1Cl 34a_100000210847_100000211926 [0,2,0,0,0,0|0,0,0]=2 12090 B12R1.267 OCCOCc1ccccc1Cl 7a_100000210847_100000211926 [0,2,0,0,0,0|0,0,0]=2 12091 B12R1.267 OCCOCc1ccccc1F 34a_100000211962_100000211926 [0,2,0,0,0,0|0,0,0]=2 12092 B12R1.267 OCCOCc1ccccc1F 7a_100000211962_100000211926 [0,2,0,0,0,0|0,0,0]=2 12093 B12R1.267 OCCOCc1ccccc1I 34a_100000187465_100000211926 [0,2,0,0,0,0|0,0,0]=2 12094 B12R1.267 OCCOCc1ccccc1I 7a_100000187465_100000211926 [0,2,0,0,0,0|0,0,0]=2 12095 B12R1.267 OCCOCc1cccnc1Br 34a_100000719692_100000211926 [0,2,0,0,0,0|1,0,0]=3 12096 B12R1.267 OCCOCc1cccnc1Br 7a_100000719692_100000211926 [0,2,0,0,0,0|1,0,0]=3 12097 B12R1.267 OCCOCc1cccnc1Cl 34a_100000748726_100000211926 [0,2,0,0,0,0|1,0,0]=3 12098 B12R1.267 OCCOCc1cccnc1Cl 7a_100000748726_100000211926 [0,2,0,0,0,0|1,0,0]=3 12099 B12R1.267 OCCOCc1cccnc1F 34a_100000079888_100000211926 [0,2,0,0,0,0|1,0,0]=3 12100 B12R1.267 OCCOCc1cccnc1F 7a_100000079888_100000211926 [0,2,0,0,0,0|1,0,0]=3 12101 B12R1.267 OCCOCc1ccncc1F 34a_100012172863_100000211926 [0,2,0,0,0,0|1,0,0]=3 12102 B12R1.267 OCCOCc1cnccc1Cl 34a_100000117392_100000211926 [0,2,0,0,0,0|1,0,0]=3 12103 B12R1.267 OCCOCc1ncccc1Br 34a_100011996772_100000211926 [0,2,0,0,0,0|1,0,0]=3 12104 B12R1.267 OCCOCc1ncccc1Cl 34a_100012002383_100000211926 [0,2,0,0,0,0|1,0,0]=3 12105 B12R1.267 OCCOCc1ncccc1F 34a_100011934865_100000211926 [0,2,0,0,0,0|1,0,0]=3 12106 B12R1.267 OCCOCc1nccnc1Cl 34a_100000057004_100000211926 [0,2,0,0,0,0|2,0,0]=4 12107 B12R1.267 OCCSCc1ccccc1Br 62a_100000184730_100000211926 [0,2,0,0,0,0|0,1,0]=3 12108 B12R1.267 OCCSCc1ccccc1Br 62a_100000211926_100000184730 [0,2,0,0,0,0|0,1,0]=3 12109 B12R1.267 OCCSCc1ccccc1Cl 62a_100000187162_100000211926 [0,2,0,0,0,0|0,1,0]=3 12110 B12R1.267 OCCSCc1ccccc1Cl 62a_100000211926_100000187162 [0,2,0,0,0,0|0,1,0]=3 12111 B12R1.267 OCCSCc1ccccc1F 62a_100000211605_100000211926 [0,2,0,0,0,0|0,1,0]=3 12112 B12R1.267 OCCSCc1ccccc1F 62a_100000211926_100000211605 [0,2,0,0,0,0|0,1,0]=3 12113 B12R1.267 OCCSCc1ccccc1I 62a_100000211926_100011216222 [0,2,0,0,0,0|0,1,0]=3 12114 B12R1.267 OCCSCc1ccccc1I 62a_100011216222_100000211926 [0,2,0,0,0,0|0,1,0]=3 12115 B12R1.267 OCCSCc1cccnc1Br 62a_100000211926_100010140945 [0,2,0,0,0,0|1,1,0]=4 12116 B12R1.267 OCCSCc1cccnc1Br 62a_100010140945_100000211926 [0,2,0,0,0,0|1,1,0]=4 12117 B12R1.267 OCCSCc1cccnc1Cl 62a_100000045678_100000211926 [0,2,0,0,0,0|1,1,0]=4 12118 B12R1.267 OCCSCc1cccnc1Cl 62a_100000211926_100000045678 [0,2,0,0,0,0|1,1,0]=4 12119 B12R1.267 OCCSCc1cccnc1F 62a_100000099810_100000211926 [0,2,0,0,0,0|1,1,0]=4 12120 B12R1.267 OCCSCc1cccnc1F 62a_100000211926_100000099810 [0,2,0,0,0,0|1,1,0]=4 12121 B12R1.267 OCCSCc1ccncc1Cl 62a_100000211926_100000763264 [0,2,0,0,0,0|1,1,0]=4 12122 B12R1.267 OCCSCc1ccncc1Cl 62a_100000763264_100000211926 [0,2,0,0,0,0|1,1,0]=4 12123 B12R1.267 OCCSCc1ncccc1Br 62a_100000211926_100025702911 [0,2,0,0,0,0|1,1,0]=4 12124 B12R1.267 OCCSCc1ncccc1Br 62a_100025702911_100000211926 [0,2,0,0,0,0|1,1,0]=4 12125 B12R1.267 OCCSCc1ncccc1Cl 62a_100000099807_100000211926 [0,2,0,0,0,0|1,1,0]=4 12126 B12R1.267 OCCSCc1ncccc1Cl 62a_100000211926_100000099807 [0,2,0,0,0,0|1,1,0]=4 12127 B12R1.267 OCCSCc1ncccc1F 62a_100000104219_100000211926 [0,2,0,0,0,0|1,1,0]=4 12128 B12R1.267 OCCSCc1ncccc1F 62a_100000211926_100000104219 [0,2,0,0,0,0|1,1,0]=4 12129 B12R1.267 OCCSCc1ncccc1O 62a_100000211926_200020655725 [0,2,0,0,0,0|1,1,0]=4 12130 B12R1.267 OCCSCc1ncccc1O 62a_200020655725_100000211926 [0,2,0,0,0,0|1,1,0]=4 12131 B12R1.267 Oc1ccccc1CCNCF 34a_100011207237_100015361967 [0,2,0,0,0,0|2,0,0]=4 12132 B12R1.267 Oc1ccccc1CCSCF 62a_100000722297_100015361967 [0,2,0,0,0,0|2,0,0]=4 12133 B12R1.267 Oc1ccccc1CCSCF 62a_100015361967_100000722297 [0,2,0,0,0,0|2,0,0]=4 12134 B12R1.267 Oc1ccccc1CNCCF 34a_100000185550_100011217306 [0,2,0,0,0,0|2,0,0]=4 12135 B12R1.267 Oc1ccccc1NCCCF 34a_100000185747_100011934791 [0,2,0,0,0,0|2,0,0]=4 12136 B12R1.267 Oc1ccccc1SCCCF 62a_100000739446_100011934791 [0,2,0,0,0,0|1,1,0]=4 12137 B12R1.267 Oc1ccccc1SCCCF 62a_100011934791_100000739446 [0,2,0,0,0,0|1,1,0]=4 12138 B12R1.267 Oc1cccnc1COCCBr 34a_100000211926_200020655725 [0,2,0,0,0,0|2,0,0]=4 12139 B12R1.267 [13CH3]NCCCc1ccccc1F 2230a_100000724733_200025704644 [0,2,0,0,0,0|2,0,0]=4 12140 B12R1.267 [13CH3]NCCCc1ccccc1F 34a_100000724733_200025704644 [0,2,0,0,0,0|2,0,0]=4 12141 B12R1.267 [13CH3]NCCOc1ccccc1Br 2230a_100000744007_200025704644 [0,2,0,0,0,0|1,0,0]=3 12142 B12R1.267 [13CH3]NCCOc1ccccc1Br 34a_100000744007_200025704644 [0,2,0,0,0,0|1,0,0]=3 12143 B12R1.267 [13CH3]NCCOc1ccccc1Cl 2230a_100000174932_200025704644 [0,2,0,0,0,0|1,0,0]=3 12144 B12R1.267 [13CH3]NCCOc1ccccc1Cl 34a_100000174932_200025704644 [0,2,0,0,0,0|1,0,0]=3 12145 B12R1.267 [13CH3]NCCOc1ccccc1F 2230a_100000683764_200025704644 [0,2,0,0,0,0|1,0,0]=3 12146 B12R1.267 [13CH3]NCCOc1ccccc1F 34a_100000683764_200025704644 [0,2,0,0,0,0|1,0,0]=3 12147 B12R1.267 [13CH3]OCC#Cc1ccccc1Br 34a_100009814404_200025704644 [0,2,0,0,0,0|1,0,1]=4 12148 B12R1.267 [13CH3]OCC#Cc1ccccc1Br 7a_100009814404_200025704644 [0,2,0,0,0,0|1,0,1]=4 12149 B12R1.267 [13CH3]OCC#Cc1ccccc1Cl 34a_100011219350_200025704644 [0,2,0,0,0,0|1,0,1]=4 12150 B12R1.267 [13CH3]OCC#Cc1ccccc1Cl 7a_100011219350_200025704644 [0,2,0,0,0,0|1,0,1]=4 12151 B12R1.267 [13CH3]OCC#Cc1ccccc1F 34a_100011219114_200025704644 [0,2,0,0,0,0|1,0,1]=4 12152 B12R1.267 [13CH3]OCC#Cc1ccccc1F 7a_100011219114_200025704644 [0,2,0,0,0,0|1,0,1]=4 12153 B12R1.267 [13CH3]OCCCc1ccccc1Br 34a_100000699526_200025704644 [0,2,0,0,0,0|1,0,0]=3 12154 B12R1.267 [13CH3]OCCCc1ccccc1Br 7a_100000699526_200025704644 [0,2,0,0,0,0|1,0,0]=3 12155 B12R1.267 [13CH3]OCCCc1ccccc1Cl 34a_100011709251_200025704644 [0,2,0,0,0,0|1,0,0]=3 12156 B12R1.267 [13CH3]OCCCc1ccccc1Cl 7a_100011709251_200025704644 [0,2,0,0,0,0|1,0,0]=3 12157 B12R1.267 [13CH3]OCCCc1ccccc1F 34a_100011709249_200025704644 [0,2,0,0,0,0|1,0,0]=3 12158 B12R1.267 [13CH3]OCCCc1ccccc1F 7a_100011709249_200025704644 [0,2,0,0,0,0|1,0,0]=3 12159 B12R1.267 [13CH3]OCCNc1ccccc1N 34a_100000683943_200025704644 [0,2,0,0,0,0|1,0,0]=3 12160 B12R1.267 [13CH3]OCCOc1ccccc1Br 34a_100000230753_200025704644 [0,2,0,0,0,0|0,0,0]=2 12161 B12R1.267 [13CH3]OCCOc1ccccc1Br 7a_100000230753_200025704644 [0,2,0,0,0,0|0,0,0]=2 12162 B12R1.267 [13CH3]OCCOc1ccccc1Cl 34a_200000230518_200025704644 [0,2,0,0,0,0|0,0,0]=2 12163 B12R1.267 [13CH3]OCCOc1ccccc1Cl 7a_200000230518_200025704644 [0,2,0,0,0,0|0,0,0]=2 12164 B12R1.267 [13CH3]OCCOc1ccccc1F 34a_100000756447_200025704644 [0,2,0,0,0,0|0,0,0]=2 12165 B12R1.267 [13CH3]OCCOc1ccccc1F 7a_100000756447_200025704644 [0,2,0,0,0,0|0,0,0]=2 12166 B12R1.267 [13CH3]OCCOc1ccccc1N 34a_100132302172_200025704644 [0,2,0,0,0,0|0,0,0]=2 12167 B12R1.267 [13CH3]OCCSc1ccccc1Br 34a_200000230852_200025704644 [0,2,0,0,0,0|0,1,0]=3 12168 B12R1.267 [13CH3]OCCSc1ccccc1Br 7a_200000230852_200025704644 [0,2,0,0,0,0|0,1,0]=3 12169 B12R1.267 [13CH3]OCCSc1ccccc1Cl 34a_200000230572_200025704644 [0,2,0,0,0,0|0,1,0]=3 12170 B12R1.267 [13CH3]OCCSc1ccccc1Cl 7a_200000230572_200025704644 [0,2,0,0,0,0|0,1,0]=3 12171 B12R1.267 [13CH3]OCCSc1ccccc1F 34a_200000230732_200025704644 [0,2,0,0,0,0|0,1,0]=3 12172 B12R1.267 [13CH3]OCCSc1ccccc1F 7a_200000230732_200025704644 [0,2,0,0,0,0|0,1,0]=3 12173 B12R1.267 [13CH3]SCCCc1ccccc1Br 62a_200011713681_200025704644 [0,2,0,0,0,0|1,1,0]=4 12174 B12R1.267 [13CH3]SCCCc1ccccc1Br 62a_200025704644_200011713681 [0,2,0,0,0,0|1,1,0]=4 12175 B12R1.267 [13CH3]SCCOc1ccccc1Br 62a_100000695877_200025704644 [0,2,0,0,0,0|0,1,0]=3 12176 B12R1.267 [13CH3]SCCOc1ccccc1Br 62a_200025704644_100000695877 [0,2,0,0,0,0|0,1,0]=3 12177 B12R1.267 [13CH3]SCCOc1ccccc1F 62a_100000183290_200025704644 [0,2,0,0,0,0|0,1,0]=3 12178 B12R1.267 [13CH3]SCCOc1ccccc1F 62a_200025704644_100000183290 [0,2,0,0,0,0|0,1,0]=3 12179 B12R1.267 [O-][n+]1ccccc1OCCCF 7a_100000211761_100011934791 [0,2,0,0,0,0|2,0,0]=4 12180 B12R1.267 [O-][n+]1ccccc1OCCCO 7a_100000211761_100011215043 [0,2,0,0,0,0|1,0,0]=3 12181 B12R1.267 [O-][n+]1ccccc1SCCCO 62a_100011215043_200000042595 [0,2,0,0,0,0|1,1,0]=4 12182 B12R1.371 C#CC(C)Oc1ccccc1Br 34a_100000181306_200000035995 [0,2,0,0,0,0|1,0,1]=4 12183 B12R1.371 C#CC(C)Oc1ccccc1C 34a_100000210338_200000035995 [0,2,0,0,0,0|1,0,1]=4 12184 B12R1.371 C#CC(C)Oc1ccccc1Cl 34a_100000210172_200000035995 [0,2,0,0,0,0|1,0,1]=4 12185 B12R1.371 C#CC(C)Oc1ccccc1F 34a_100000210171_200000035995 [0,2,0,0,0,0|1,0,1]=4 12186 B12R1.371 C#CC(C)Oc1ccccc1I 34a_100000739446_200000035995 [0,2,0,0,0,0|1,0,1]=4 12187 B12R1.371 C#CC(C)Oc1ccccc1N 34a_100000185747_200000035995 [0,2,0,0,0,0|1,0,1]=4 12188 B12R1.371 CC(C#N)Oc1ccccc1Br 7a_100000181306_100000703298 [0,2,0,0,0,0|1,0,1]=4 12189 B12R1.371 CC(C#N)Oc1ccccc1Cl 7a_100000210172_100000703298 [0,2,0,0,0,0|1,0,1]=4 12190 B12R1.371 CC(C#N)Oc1ccccc1F 7a_100000210171_100000703298 [0,2,0,0,0,0|1,0,1]=4 12191 B12R1.371 CC(C#N)Oc1ccccc1I 7a_100000739446_100000703298 [0,2,0,0,0,0|1,0,1]=4 12192 B12R1.371 CC(C#N)Oc1ccccc1N 7a_100000185747_100000703298 [0,2,0,0,0,0|1,0,1]=4 12193 B12R1.371 CC(CO)Nc1ccccc1Br 34a_100000210017_100012180447 [0,2,0,0,0,0|1,0,0]=3 12194 B12R1.371 CC(CO)Nc1ccccc1Cl 34a_100000185783_100012180447 [0,2,0,0,0,0|1,0,0]=3 12195 B12R1.371 CC(CO)Nc1ccccc1F 34a_100000210422_100012180447 [0,2,0,0,0,0|1,0,0]=3 12196 B12R1.371 CC(CO)Nc1ccccc1I 34a_100000210053_100012180447 [0,2,0,0,0,0|1,0,0]=3 12197 B12R1.371 CC(CO)Nc1ccccc1O 34a_100000185747_100012180447 [0,2,0,0,0,0|1,0,0]=3 12198 B12R1.371 CC(CO)Oc1cccc[n+]1[O-] 7a_100000211761_100012180447 [0,2,0,0,0,0|1,0,0]=3 12199 B12R1.371 CC(CO)Oc1ccccc1Br 34a_100000181306_100012180447 [0,2,0,0,0,0|0,0,0]=2 12200 B12R1.371 CC(CO)Oc1ccccc1Br 7a_100000181306_100012180447 [0,2,0,0,0,0|0,0,0]=2 12201 B12R1.371 CC(CO)Oc1ccccc1Cl 34a_100000210172_100012180447 [0,2,0,0,0,0|0,0,0]=2 12202 B12R1.371 CC(CO)Oc1ccccc1Cl 7a_100000210172_100012180447 [0,2,0,0,0,0|0,0,0]=2 12203 B12R1.371 CC(CO)Oc1ccccc1F 34a_100000210171_100012180447 [0,2,0,0,0,0|0,0,0]=2 12204 B12R1.371 CC(CO)Oc1ccccc1F 7a_100000210171_100012180447 [0,2,0,0,0,0|0,0,0]=2 12205 B12R1.371 CC(CO)Oc1ccccc1I 34a_100000739446_100012180447 [0,2,0,0,0,0|0,0,0]=2 12206 B12R1.371 CC(CO)Oc1ccccc1I 7a_100000739446_100012180447 [0,2,0,0,0,0|0,0,0]=2 12207 B12R1.371 CC(CO)Oc1ccccc1N 34a_100000185747_100012180447 [0,2,0,0,0,0|0,0,0]=2 12208 B12R1.371 CC(CO)Oc1ccccc1N 7a_100000185747_100012180447 [0,2,0,0,0,0|0,0,0]=2 12209 B12R1.371 CC(CO)Oc1cccnc1Br 34a_100000744436_100012180447 [0,2,0,0,0,0|1,0,0]=3 12210 B12R1.371 CC(CO)Oc1cccnc1Br 7a_100000744436_100012180447 [0,2,0,0,0,0|1,0,0]=3 12211 B12R1.371 CC(CO)Oc1cccnc1Cl 34a_100000757616_100012180447 [0,2,0,0,0,0|1,0,0]=3 12212 B12R1.371 CC(CO)Oc1cccnc1Cl 7a_100000757616_100012180447 [0,2,0,0,0,0|1,0,0]=3 12213 B12R1.371 CC(CO)Oc1cccnc1F 34a_100000061740_100012180447 [0,2,0,0,0,0|1,0,0]=3 12214 B12R1.371 CC(CO)Oc1cccnc1F 7a_100000061740_100012180447 [0,2,0,0,0,0|1,0,0]=3 12215 B12R1.371 CC(CO)Oc1cccnc1I 34a_100000034122_100012180447 [0,2,0,0,0,0|1,0,0]=3 12216 B12R1.371 CC(CO)Oc1cccnc1I 7a_100000034122_100012180447 [0,2,0,0,0,0|1,0,0]=3 12217 B12R1.371 CC(CO)Oc1cccnc1N 34a_100000211975_100012180447 [0,2,0,0,0,0|1,0,0]=3 12218 B12R1.371 CC(CO)Oc1cccnc1N 7a_100000211975_100012180447 [0,2,0,0,0,0|1,0,0]=3 12219 B12R1.371 CC(CO)Oc1cccoc1=O 34a_100000077404_100012180447 [0,2,0,0,0,0|1,0,0]=3 12220 B12R1.371 CC(CO)Oc1cccoc1=O 7a_100000077404_100012180447 [0,2,0,0,0,0|1,0,0]=3 12221 B12R1.371 CC(CO)Oc1ccncc1Br 34a_100011996408_100012180447 [0,2,0,0,0,0|1,0,0]=3 12222 B12R1.371 CC(CO)Oc1ccncc1Cl 34a_100011997054_100012180447 [0,2,0,0,0,0|1,0,0]=3 12223 B12R1.371 CC(CO)Oc1ccncc1F 34a_200000081243_100012180447 [0,2,0,0,0,0|1,0,0]=3 12224 B12R1.371 CC(CO)Oc1cnccc1Cl 34a_100011996695_100012180447 [0,2,0,0,0,0|1,0,0]=3 12225 B12R1.371 CC(CO)Oc1cnccc1I 34a_100000050107_100012180447 [0,2,0,0,0,0|1,0,0]=3 12226 B12R1.371 CC(CO)Oc1cnccc1N 34a_100000753702_100012180447 [0,2,0,0,0,0|1,0,0]=3 12227 B12R1.371 CC(CO)Oc1cncnc1N 7a_100000112926_100012180447 [0,2,0,0,0,0|2,0,0]=4 12228 B12R1.371 CC(CO)Oc1coccc1=O 34a_100000060831_100012180447 [0,2,0,0,0,0|1,0,0]=3 12229 B12R1.371 CC(CO)Oc1ncccc1Cl 34a_100011290957_100012180447 [0,2,0,0,0,0|1,0,0]=3 12230 B12R1.371 CC(CO)Oc1ncccc1F 34a_100011219419_100012180447 [0,2,0,0,0,0|1,0,0]=3 12231 B12R1.371 CC(CO)Oc1ncccc1N 34a_100000746358_100012180447 [0,2,0,0,0,0|1,0,0]=3 12232 B12R1.371 CC(CO)Sc1c[nH]ccc1=O 62a_100012180447_100009998708 [0,2,0,0,0,0|1,1,0]=4 12233 B12R1.371 CC(CO)Sc1c[nH]ccc1=S 62a_100012180447_200012280681 [0,2,0,0,0,0|1,1,0]=4 12234 B12R1.371 CC(CO)Sc1cccc[n+]1C 62a_100012180447_100000212160 [0,2,0,0,0,0|1,1,0]=4 12235 B12R1.371 CC(CO)Sc1cccc[n+]1[O-] 62a_100012180447_200000042595 [0,2,0,0,0,0|1,1,0]=4 12236 B12R1.371 CC(CO)Sc1ccccc1Br 62a_100012180447_100000695589 [0,2,0,0,0,0|0,1,0]=3 12237 B12R1.371 CC(CO)Sc1ccccc1Cl 62a_100012180447_100000764095 [0,2,0,0,0,0|0,1,0]=3 12238 B12R1.371 CC(CO)Sc1ccccc1F 62a_100012180447_100011215700 [0,2,0,0,0,0|0,1,0]=3 12239 B12R1.371 CC(CO)Sc1ccccc1N 62a_100012180447_100000210017 [0,2,0,0,0,0|0,1,0]=3 12240 B12R1.371 CC(CO)Sc1ccccc1O 62a_100012180447_100000739446 [0,2,0,0,0,0|0,1,0]=3 12241 B12R1.371 CC(CO)Sc1cccnc1Br 62a_100012180447_100010202626 [0,2,0,0,0,0|1,1,0]=4 12242 B12R1.371 CC(CO)Sc1cccnc1Cl 62a_100012180447_100000036424 [0,2,0,0,0,0|1,1,0]=4 12243 B12R1.371 CC(CO)Sc1cccnc1F 62a_100012180447_100009816115 [0,2,0,0,0,0|1,1,0]=4 12244 B12R1.371 CC(CO)Sc1cccnc1N 62a_100012180447_100000045569 [0,2,0,0,0,0|1,1,0]=4 12245 B12R1.371 CC(CO)Sc1cccnc1O 62a_100012180447_100000760158 [0,2,0,0,0,0|1,1,0]=4 12246 B12R1.371 CC(CO)Sc1ccncc1Br 62a_100012180447_100000726257 [0,2,0,0,0,0|1,1,0]=4 12247 B12R1.371 CC(CO)Sc1ccncc1Cl 62a_100012180447_100000708259 [0,2,0,0,0,0|1,1,0]=4 12248 B12R1.371 CC(CO)Sc1ccncc1F 62a_100012180447_100000047030 [0,2,0,0,0,0|1,1,0]=4 12249 B12R1.371 CC(CO)Sc1ccncc1N 62a_100012180447_100000756074 [0,2,0,0,0,0|1,1,0]=4 12250 B12R1.371 CC(CO)Sc1ccncc1O 62a_100012180447_100009817591 [0,2,0,0,0,0|1,1,0]=4 12251 B12R1.371 CC(CO)Sc1cnccc1Br 62a_100012180447_100010138639 [0,2,0,0,0,0|1,1,0]=4 12252 B12R1.371 CC(CO)Sc1cnccc1Cl 62a_100012180447_100009995489 [0,2,0,0,0,0|1,1,0]=4 12253 B12R1.371 CC(CO)Sc1cnccc1F 62a_100012180447_100009820683 [0,2,0,0,0,0|1,1,0]=4 12254 B12R1.371 CC(CO)Sc1cnccc1N 62a_100012180447_100000047001 [0,2,0,0,0,0|1,1,0]=4 12255 B12R1.371 CC(CO)Sc1ncccc1Br 62a_100012180447_100000696092 [0,2,0,0,0,0|1,1,0]=4 12256 B12R1.371 CC(CO)Sc1ncccc1Cl 62a_100012180447_100011356963 [0,2,0,0,0,0|1,1,0]=4 12257 B12R1.371 CC(CO)Sc1ncccc1F 62a_100012180447_100000685392 [0,2,0,0,0,0|1,1,0]=4 12258 B12R1.371 CC(CO)Sc1ncccc1N 62a_100012180447_100000688686 [0,2,0,0,0,0|1,1,0]=4 12259 B12R1.371 CC(CO)Sc1ncccc1O 62a_100012180447_100000034122 [0,2,0,0,0,0|1,1,0]=4 12260 B12R1.371 CCC(C)Nc1ccccc1Br 34a_100000210017_100011215416 [0,2,0,0,0,0|2,0,0]=4 12261 B12R1.371 CCC(C)Nc1ccccc1C 34a_100015192222_100011215416 [0,2,0,0,0,0|2,0,0]=4 12262 B12R1.371 CCC(C)Nc1ccccc1Cl 34a_100000185783_100011215416 [0,2,0,0,0,0|2,0,0]=4 12263 B12R1.371 CCC(C)Nc1ccccc1F 34a_100000210422_100011215416 [0,2,0,0,0,0|2,0,0]=4 12264 B12R1.371 CCC(C)Nc1ccccc1I 34a_100000210053_100011215416 [0,2,0,0,0,0|2,0,0]=4 12265 B12R1.371 CCC(C)Nc1ccccc1O 34a_100000185747_100011215416 [0,2,0,0,0,0|2,0,0]=4 12266 B12R1.371 CCC(C)Oc1cccc[n+]1[O-] 7a_100000211761_100000758301 [0,2,0,0,0,0|2,0,0]=4 12267 B12R1.371 CCC(C)Oc1ccccc1Br 34a_100000181306_100011215416 [0,2,0,0,0,0|1,0,0]=3 12268 B12R1.371 CCC(C)Oc1ccccc1Br 7a_100000181306_100000758301 [0,2,0,0,0,0|1,0,0]=3 12269 B12R1.371 CCC(C)Oc1ccccc1C 34a_100000210338_100011215416 [0,2,0,0,0,0|1,0,0]=3 12270 B12R1.371 CCC(C)Oc1ccccc1C 7a_100000210338_100000758301 [0,2,0,0,0,0|1,0,0]=3 12271 B12R1.371 CCC(C)Oc1ccccc1Cl 34a_100000210172_100011215416 [0,2,0,0,0,0|1,0,0]=3 12272 B12R1.371 CCC(C)Oc1ccccc1Cl 7a_100000210172_100000758301 [0,2,0,0,0,0|1,0,0]=3 12273 B12R1.371 CCC(C)Oc1ccccc1F 34a_100000210171_100011215416 [0,2,0,0,0,0|1,0,0]=3 12274 B12R1.371 CCC(C)Oc1ccccc1F 7a_100000210171_100000758301 [0,2,0,0,0,0|1,0,0]=3 12275 B12R1.371 CCC(C)Oc1ccccc1I 34a_100000739446_100011215416 [0,2,0,0,0,0|1,0,0]=3 12276 B12R1.371 CCC(C)Oc1ccccc1I 7a_100000739446_100000758301 [0,2,0,0,0,0|1,0,0]=3 12277 B12R1.371 CCC(C)Oc1ccccc1N 34a_100000185747_100011215416 [0,2,0,0,0,0|1,0,0]=3 12278 B12R1.371 CCC(C)Oc1ccccc1N 7a_100000185747_100000758301 [0,2,0,0,0,0|1,0,0]=3 12279 B12R1.371 CCC(C)Oc1cccnc1Br 34a_100000744436_100011215416 [0,2,0,0,0,0|2,0,0]=4 12280 B12R1.371 CCC(C)Oc1cccnc1Br 7a_100000744436_100000758301 [0,2,0,0,0,0|2,0,0]=4 12281 B12R1.371 CCC(C)Oc1cccnc1C 34a_100000745507_100011215416 [0,2,0,0,0,0|2,0,0]=4 12282 B12R1.371 CCC(C)Oc1cccnc1C 7a_100000745507_100000758301 [0,2,0,0,0,0|2,0,0]=4 12283 B12R1.371 CCC(C)Oc1cccnc1Cl 34a_100000757616_100011215416 [0,2,0,0,0,0|2,0,0]=4 12284 B12R1.371 CCC(C)Oc1cccnc1Cl 7a_100000757616_100000758301 [0,2,0,0,0,0|2,0,0]=4 12285 B12R1.371 CCC(C)Oc1cccnc1F 34a_100000061740_100011215416 [0,2,0,0,0,0|2,0,0]=4 12286 B12R1.371 CCC(C)Oc1cccnc1F 7a_100000061740_100000758301 [0,2,0,0,0,0|2,0,0]=4 12287 B12R1.371 CCC(C)Oc1cccnc1I 34a_100000034122_100011215416 [0,2,0,0,0,0|2,0,0]=4 12288 B12R1.371 CCC(C)Oc1cccnc1I 7a_100000034122_100000758301 [0,2,0,0,0,0|2,0,0]=4 12289 B12R1.371 CCC(C)Oc1cccnc1N 34a_100000211975_100011215416 [0,2,0,0,0,0|2,0,0]=4 12290 B12R1.371 CCC(C)Oc1cccnc1N 7a_100000211975_100000758301 [0,2,0,0,0,0|2,0,0]=4 12291 B12R1.371 CCC(C)Oc1cccoc1=O 34a_100000077404_100011215416 [0,2,0,0,0,0|2,0,0]=4 12292 B12R1.371 CCC(C)Oc1cccoc1=O 7a_100000077404_100000758301 [0,2,0,0,0,0|2,0,0]=4 12293 B12R1.371 CCC(C)Oc1ccncc1Br 34a_100011996408_100011215416 [0,2,0,0,0,0|2,0,0]=4 12294 B12R1.371 CCC(C)Oc1ccncc1C 34a_100000694293_100011215416 [0,2,0,0,0,0|2,0,0]=4 12295 B12R1.371 CCC(C)Oc1ccncc1Cl 34a_100011997054_100011215416 [0,2,0,0,0,0|2,0,0]=4 12296 B12R1.371 CCC(C)Oc1ccncc1F 34a_200000081243_100011215416 [0,2,0,0,0,0|2,0,0]=4 12297 B12R1.371 CCC(C)Oc1cnccc1C 34a_100011997053_100011215416 [0,2,0,0,0,0|2,0,0]=4 12298 B12R1.371 CCC(C)Oc1cnccc1C 7a_100011997053_100000758301 [0,2,0,0,0,0|2,0,0]=4 12299 B12R1.371 CCC(C)Oc1cnccc1Cl 34a_100011996695_100011215416 [0,2,0,0,0,0|2,0,0]=4 12300 B12R1.371 CCC(C)Oc1cnccc1I 34a_100000050107_100011215416 [0,2,0,0,0,0|2,0,0]=4 12301 B12R1.371 CCC(C)Oc1cnccc1N 34a_100000753702_100011215416 [0,2,0,0,0,0|2,0,0]=4 12302 B12R1.371 CCC(C)Oc1coccc1=O 34a_100000060831_100011215416 [0,2,0,0,0,0|2,0,0]=4 12303 B12R1.371 CCC(C)Oc1ncccc1Cl 34a_100011290957_100011215416 [0,2,0,0,0,0|2,0,0]=4 12304 B12R1.371 CCC(C)Oc1ncccc1F 34a_100011219419_100011215416 [0,2,0,0,0,0|2,0,0]=4 12305 B12R1.371 CCC(C)Oc1ncccc1N 34a_100000746358_100011215416 [0,2,0,0,0,0|2,0,0]=4 12306 B12R1.371 CCC(C)Sc1ccccc1Br 62a_100000695589_100000758301 [0,2,0,0,0,0|1,1,0]=4 12307 B12R1.371 CCC(C)Sc1ccccc1Br 62a_100000758301_100000695589 [0,2,0,0,0,0|1,1,0]=4 12308 B12R1.371 CCC(C)Sc1ccccc1C 62a_100000210755_100000758301 [0,2,0,0,0,0|1,1,0]=4 12309 B12R1.371 CCC(C)Sc1ccccc1C 62a_100000758301_100000210755 [0,2,0,0,0,0|1,1,0]=4 12310 B12R1.371 CCC(C)Sc1ccccc1Cl 62a_100000758301_100000764095 [0,2,0,0,0,0|1,1,0]=4 12311 B12R1.371 CCC(C)Sc1ccccc1Cl 62a_100000764095_100000758301 [0,2,0,0,0,0|1,1,0]=4 12312 B12R1.371 CCC(C)Sc1ccccc1F 62a_100000758301_100011215700 [0,2,0,0,0,0|1,1,0]=4 12313 B12R1.371 CCC(C)Sc1ccccc1F 62a_100011215700_100000758301 [0,2,0,0,0,0|1,1,0]=4 12314 B12R1.371 CCC(C)Sc1ccccc1N 62a_100000210017_100000758301 [0,2,0,0,0,0|1,1,0]=4 12315 B12R1.371 CCC(C)Sc1ccccc1N 62a_100000758301_100000210017 [0,2,0,0,0,0|1,1,0]=4 12316 B12R1.371 CCC(C)Sc1ccccc1O 62a_100000739446_100000758301 [0,2,0,0,0,0|1,1,0]=4 12317 B12R1.371 CCC(C)Sc1ccccc1O 62a_100000758301_100000739446 [0,2,0,0,0,0|1,1,0]=4 12318 B12R1.371 C[C@H](CO)Nc1ccncc1Br 27a_100000737577_100000726257 [0,2,0,0,0,0|2,0,0]=4 12319 B12R1.371 C[C@H](CO)Nc1ccncc1F 27a_100000737577_100000035921 [0,2,0,0,0,0|2,0,0]=4 12320 B12R1.371 C[C@H](CO)Nc1ncccc1Br 27a_100000737577_100000696092 [0,2,0,0,0,0|2,0,0]=4 12321 B12R1.371 C[C@H](CO)Sc1c[nH]ccc1=O 62a_100009998708_100016084084 [0,2,0,0,0,0|1,1,0]=4 12322 B12R1.371 C[C@H](CO)Sc1c[nH]ccc1=O 62a_100016084084_100009998708 [0,2,0,0,0,0|1,1,0]=4 12323 B12R1.371 C[C@H](CO)Sc1c[nH]ccc1=S 62a_100016084084_200012280681 [0,2,0,0,0,0|1,1,0]=4 12324 B12R1.371 C[C@H](CO)Sc1c[nH]ccc1=S 62a_200012280681_100016084084 [0,2,0,0,0,0|1,1,0]=4 12325 B12R1.371 C[C@H](CO)Sc1cccc[n+]1C 62a_100016084084_100000212160 [0,2,0,0,0,0|1,1,0]=4 12326 B12R1.371 C[C@H](CO)Sc1cccc[n+]1[O-] 62a_100016084084_200000042595 [0,2,0,0,0,0|1,1,0]=4 12327 B12R1.371 C[C@H](CO)Sc1ccccc1Br 62a_100000695589_100016084084 [0,2,0,0,0,0|0,1,0]=3 12328 B12R1.371 C[C@H](CO)Sc1ccccc1Br 62a_100016084084_100000695589 [0,2,0,0,0,0|0,1,0]=3 12329 B12R1.371 C[C@H](CO)Sc1ccccc1Cl 62a_100000764095_100016084084 [0,2,0,0,0,0|0,1,0]=3 12330 B12R1.371 C[C@H](CO)Sc1ccccc1Cl 62a_100016084084_100000764095 [0,2,0,0,0,0|0,1,0]=3 12331 B12R1.371 C[C@H](CO)Sc1ccccc1F 62a_100011215700_100016084084 [0,2,0,0,0,0|0,1,0]=3 12332 B12R1.371 C[C@H](CO)Sc1ccccc1F 62a_100016084084_100011215700 [0,2,0,0,0,0|0,1,0]=3 12333 B12R1.371 C[C@H](CO)Sc1ccccc1N 62a_100000210017_100016084084 [0,2,0,0,0,0|0,1,0]=3 12334 B12R1.371 C[C@H](CO)Sc1ccccc1N 62a_100016084084_100000210017 [0,2,0,0,0,0|0,1,0]=3 12335 B12R1.371 C[C@H](CO)Sc1ccccc1O 62a_100000739446_100016084084 [0,2,0,0,0,0|0,1,0]=3 12336 B12R1.371 C[C@H](CO)Sc1ccccc1O 62a_100016084084_100000739446 [0,2,0,0,0,0|0,1,0]=3 12337 B12R1.371 C[C@H](CO)Sc1cccnc1Br 62a_100010202626_100016084084 [0,2,0,0,0,0|1,1,0]=4 12338 B12R1.371 C[C@H](CO)Sc1cccnc1Br 62a_100016084084_100010202626 [0,2,0,0,0,0|1,1,0]=4 12339 B12R1.371 C[C@H](CO)Sc1cccnc1Cl 62a_100000036424_100016084084 [0,2,0,0,0,0|1,1,0]=4 12340 B12R1.371 C[C@H](CO)Sc1cccnc1Cl 62a_100016084084_100000036424 [0,2,0,0,0,0|1,1,0]=4 12341 B12R1.371 C[C@H](CO)Sc1cccnc1F 62a_100009816115_100016084084 [0,2,0,0,0,0|1,1,0]=4 12342 B12R1.371 C[C@H](CO)Sc1cccnc1F 62a_100016084084_100009816115 [0,2,0,0,0,0|1,1,0]=4 12343 B12R1.371 C[C@H](CO)Sc1cccnc1N 62a_100000045569_100016084084 [0,2,0,0,0,0|1,1,0]=4 12344 B12R1.371 C[C@H](CO)Sc1cccnc1N 62a_100016084084_100000045569 [0,2,0,0,0,0|1,1,0]=4 12345 B12R1.371 C[C@H](CO)Sc1cccnc1O 62a_100000760158_100016084084 [0,2,0,0,0,0|1,1,0]=4 12346 B12R1.371 C[C@H](CO)Sc1cccnc1O 62a_100016084084_100000760158 [0,2,0,0,0,0|1,1,0]=4 12347 B12R1.371 C[C@H](CO)Sc1ccncc1Br 62a_100000726257_100016084084 [0,2,0,0,0,0|1,1,0]=4 12348 B12R1.371 C[C@H](CO)Sc1ccncc1Br 62a_100016084084_100000726257 [0,2,0,0,0,0|1,1,0]=4 12349 B12R1.371 C[C@H](CO)Sc1ccncc1Cl 62a_100000708259_100016084084 [0,2,0,0,0,0|1,1,0]=4 12350 B12R1.371 C[C@H](CO)Sc1ccncc1Cl 62a_100016084084_100000708259 [0,2,0,0,0,0|1,1,0]=4 12351 B12R1.371 C[C@H](CO)Sc1ccncc1F 62a_100000047030_100016084084 [0,2,0,0,0,0|1,1,0]=4 12352 B12R1.371 C[C@H](CO)Sc1ccncc1F 62a_100016084084_100000047030 [0,2,0,0,0,0|1,1,0]=4 12353 B12R1.371 C[C@H](CO)Sc1ccncc1N 62a_100000756074_100016084084 [0,2,0,0,0,0|1,1,0]=4 12354 B12R1.371 C[C@H](CO)Sc1ccncc1N 62a_100016084084_100000756074 [0,2,0,0,0,0|1,1,0]=4 12355 B12R1.371 C[C@H](CO)Sc1ccncc1O 62a_100009817591_100016084084 [0,2,0,0,0,0|1,1,0]=4 12356 B12R1.371 C[C@H](CO)Sc1ccncc1O 62a_100016084084_100009817591 [0,2,0,0,0,0|1,1,0]=4 12357 B12R1.371 C[C@H](CO)Sc1cnccc1Br 62a_100010138639_100016084084 [0,2,0,0,0,0|1,1,0]=4 12358 B12R1.371 C[C@H](CO)Sc1cnccc1Br 62a_100016084084_100010138639 [0,2,0,0,0,0|1,1,0]=4 12359 B12R1.371 C[C@H](CO)Sc1cnccc1Cl 62a_100009995489_100016084084 [0,2,0,0,0,0|1,1,0]=4 12360 B12R1.371 C[C@H](CO)Sc1cnccc1Cl 62a_100016084084_100009995489 [0,2,0,0,0,0|1,1,0]=4 12361 B12R1.371 C[C@H](CO)Sc1cnccc1F 62a_100009820683_100016084084 [0,2,0,0,0,0|1,1,0]=4 12362 B12R1.371 C[C@H](CO)Sc1cnccc1F 62a_100016084084_100009820683 [0,2,0,0,0,0|1,1,0]=4 12363 B12R1.371 C[C@H](CO)Sc1cnccc1N 62a_100000047001_100016084084 [0,2,0,0,0,0|1,1,0]=4 12364 B12R1.371 C[C@H](CO)Sc1cnccc1N 62a_100016084084_100000047001 [0,2,0,0,0,0|1,1,0]=4 12365 B12R1.371 C[C@H](CO)Sc1ncccc1Br 62a_100000696092_100016084084 [0,2,0,0,0,0|1,1,0]=4 12366 B12R1.371 C[C@H](CO)Sc1ncccc1Br 62a_100016084084_100000696092 [0,2,0,0,0,0|1,1,0]=4 12367 B12R1.371 C[C@H](CO)Sc1ncccc1Cl 62a_100011356963_100016084084 [0,2,0,0,0,0|1,1,0]=4 12368 B12R1.371 C[C@H](CO)Sc1ncccc1Cl 62a_100016084084_100011356963 [0,2,0,0,0,0|1,1,0]=4 12369 B12R1.371 C[C@H](CO)Sc1ncccc1F 62a_100000685392_100016084084 [0,2,0,0,0,0|1,1,0]=4 12370 B12R1.371 C[C@H](CO)Sc1ncccc1F 62a_100016084084_100000685392 [0,2,0,0,0,0|1,1,0]=4 12371 B12R1.371 C[C@H](CO)Sc1ncccc1N 62a_100000688686_100016084084 [0,2,0,0,0,0|1,1,0]=4 12372 B12R1.371 C[C@H](CO)Sc1ncccc1N 62a_100016084084_100000688686 [0,2,0,0,0,0|1,1,0]=4 12373 B12R1.371 C[C@H](CO)Sc1ncccc1O 62a_100000034122_100016084084 [0,2,0,0,0,0|1,1,0]=4 12374 B12R1.371 C[C@H](CO)Sc1ncccc1O 62a_100016084084_100000034122 [0,2,0,0,0,0|1,1,0]=4 12375 B12R1.371 Cc1ccccc1CC(=O)CO 1458a_100000210174_100000211839 [0,2,0,0,0,0|1,0,1]=4 12376 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [0,2,0,0,0,0|1,0,1]=4 12377 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [0,2,0,0,0,0|1,0,1]=4 12378 B12R1.371 Cc1ccccc1NC(C)CO 34a_100015192222_100012180447 [0,2,0,0,0,0|1,0,0]=3 12379 B12R1.371 Cc1ccccc1OC(C)C#N 7a_100000210338_100000703298 [0,2,0,0,0,0|1,0,1]=4 12380 B12R1.371 Cc1ccccc1OC(C)CO 34a_100000210338_100012180447 [0,2,0,0,0,0|0,0,0]=2 12381 B12R1.371 Cc1ccccc1OC(C)CO 7a_100000210338_100012180447 [0,2,0,0,0,0|0,0,0]=2 12382 B12R1.371 Cc1ccccc1SC(C)CO 62a_100012180447_100000210755 [0,2,0,0,0,0|0,1,0]=3 12383 B12R1.371 Cc1ccccc1S[C@H](C)CO 62a_100000210755_100016084084 [0,2,0,0,0,0|0,1,0]=3 12384 B12R1.371 Cc1ccccc1S[C@H](C)CO 62a_100016084084_100000210755 [0,2,0,0,0,0|0,1,0]=3 12385 B12R1.371 Cc1cccnc1SC(C)CO 62a_100012180447_100000751373 [0,2,0,0,0,0|1,1,0]=4 12386 B12R1.371 Cc1cccnc1S[C@H](C)CO 62a_100000751373_100016084084 [0,2,0,0,0,0|1,1,0]=4 12387 B12R1.371 Cc1cccnc1S[C@H](C)CO 62a_100016084084_100000751373 [0,2,0,0,0,0|1,1,0]=4 12388 B12R1.371 Cc1ccncc1OC(C)CO 34a_100011997053_100012180447 [0,2,0,0,0,0|1,0,0]=3 12389 B12R1.371 Cc1ccncc1OC(C)CO 7a_100011997053_100012180447 [0,2,0,0,0,0|1,0,0]=3 12390 B12R1.371 Cc1ccncc1SC(C)CO 62a_100012180447_100000761580 [0,2,0,0,0,0|1,1,0]=4 12391 B12R1.371 Cc1ccncc1S[C@H](C)CO 62a_100000761580_100016084084 [0,2,0,0,0,0|1,1,0]=4 12392 B12R1.371 Cc1ccncc1S[C@H](C)CO 62a_100016084084_100000761580 [0,2,0,0,0,0|1,1,0]=4 12393 B12R1.371 Cc1cnccc1N[C@H](C)CO 27a_100000737577_100000765111 [0,2,0,0,0,0|2,0,0]=4 12394 B12R1.371 Cc1cnccc1OC(C)CO 34a_100000694293_100012180447 [0,2,0,0,0,0|1,0,0]=3 12395 B12R1.371 Cc1cnccc1SC(C)CO 62a_100012180447_100000765111 [0,2,0,0,0,0|1,1,0]=4 12396 B12R1.371 Cc1cnccc1S[C@H](C)CO 62a_100000765111_100016084084 [0,2,0,0,0,0|1,1,0]=4 12397 B12R1.371 Cc1cnccc1S[C@H](C)CO 62a_100016084084_100000765111 [0,2,0,0,0,0|1,1,0]=4 12398 B12R1.371 Cc1ncccc1OC(C)CO 34a_100000745507_100012180447 [0,2,0,0,0,0|1,0,0]=3 12399 B12R1.371 Cc1ncccc1OC(C)CO 7a_100000745507_100012180447 [0,2,0,0,0,0|1,0,0]=3 12400 B12R1.371 Cc1ncccc1SC(C)CO 62a_100012180447_100000751574 [0,2,0,0,0,0|1,1,0]=4 12401 B12R1.371 Cc1ncccc1S[C@H](C)CO 62a_100000751574_100016084084 [0,2,0,0,0,0|1,1,0]=4 12402 B12R1.371 Cc1ncccc1S[C@H](C)CO 62a_100016084084_100000751574 [0,2,0,0,0,0|1,1,0]=4 12403 B12R1.371 Cc1nccnc1OC(C)CO 34a_100000766352_100012180447 [0,2,0,0,0,0|2,0,0]=4 12404 B12R1.371 O=C(CO)Cc1ccccc1Br 1458a_100000210174_100000184730 [0,2,0,0,0,0|1,0,1]=4 12405 B12R1.371 O=C(CO)Cc1ccccc1Cl 1458a_100000210174_100000187162 [0,2,0,0,0,0|1,0,1]=4 12406 B12R1.371 O=C(CO)Cc1ccccc1F 1458a_100000210174_100000187165 [0,2,0,0,0,0|1,0,1]=4 12407 B12R1.371 O=C(CO)Cc1ccccc1I 1458a_100000210174_100011216222 [0,2,0,0,0,0|1,0,1]=4 12408 B12R1.371 O=C(CO)Nc1ccccc1Cl 22a_100000185783_100000210174 [0,2,0,0,0,0|1,0,1]=4 12409 B12R1.371 O=C(CO)Nc1ccccc1Cl 527a_100000185783_100000210174 [0,2,0,0,0,0|1,0,1]=4 12410 B12R1.371 O=C(CO)Nc1ccccc1F 22a_100000210422_100000210174 [0,2,0,0,0,0|1,0,1]=4 12411 B12R1.371 O=C(CO)Nc1ccccc1F 527a_100000210422_100000210174 [0,2,0,0,0,0|1,0,1]=4 12412 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [0,2,0,0,0,0|1,0,1]=4 12413 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [0,2,0,0,0,0|1,0,1]=4 12414 B12R1.374 C#CCOc1cc(ccc1Br)Br 34a_100011220040_100000184674 [0,2,0,0,0,0|1,0,1]=4 12415 B12R1.374 C#CCOc1cc(ccc1Br)Br 7a_100011220040_100000038162 [0,2,0,0,0,0|1,0,1]=4 12416 B12R1.374 C#CCOc1cc(ccc1Br)C 34a_100012002257_100000184674 [0,2,0,0,0,0|1,0,1]=4 12417 B12R1.374 C#CCOc1cc(ccc1Br)C 7a_100012002257_100000038162 [0,2,0,0,0,0|1,0,1]=4 12418 B12R1.374 C#CCOc1cc(ccc1Br)Cl 34a_100012339455_100000184674 [0,2,0,0,0,0|1,0,1]=4 12419 B12R1.374 C#CCOc1cc(ccc1Br)Cl 7a_100012339455_100000038162 [0,2,0,0,0,0|1,0,1]=4 12420 B12R1.374 C#CCOc1cc(ccc1Br)F 34a_100000690578_100000184674 [0,2,0,0,0,0|1,0,1]=4 12421 B12R1.374 C#CCOc1cc(ccc1Br)F 7a_100000690578_100000038162 [0,2,0,0,0,0|1,0,1]=4 12422 B12R1.374 C#CCOc1cc(ccc1Br)I 34a_100012356990_100000184674 [0,2,0,0,0,0|1,0,1]=4 12423 B12R1.374 C#CCOc1cc(ccc1Br)I 7a_100012356990_100000038162 [0,2,0,0,0,0|1,0,1]=4 12424 B12R1.374 C#CCOc1cc(ccc1C)Br 34a_100000685420_100000184674 [0,2,0,0,0,0|1,0,1]=4 12425 B12R1.374 C#CCOc1cc(ccc1C)Br 7a_100000685420_100000038162 [0,2,0,0,0,0|1,0,1]=4 12426 B12R1.374 C#CCOc1cc(ccc1C)C 34a_100000210931_100000184674 [0,2,0,0,0,0|1,0,1]=4 12427 B12R1.374 C#CCOc1cc(ccc1C)C 7a_100000210931_100000038162 [0,2,0,0,0,0|1,0,1]=4 12428 B12R1.374 C#CCOc1cc(ccc1C)Cl 34a_100000756515_100000184674 [0,2,0,0,0,0|1,0,1]=4 12429 B12R1.374 C#CCOc1cc(ccc1C)Cl 7a_100000756515_100000038162 [0,2,0,0,0,0|1,0,1]=4 12430 B12R1.374 C#CCOc1cc(ccc1C)F 34a_100000690566_100000184674 [0,2,0,0,0,0|1,0,1]=4 12431 B12R1.374 C#CCOc1cc(ccc1C)F 7a_100000690566_100000038162 [0,2,0,0,0,0|1,0,1]=4 12432 B12R1.374 C#CCOc1cc(ccc1C)I 7a_100000766334_100000038162 [0,2,0,0,0,0|1,0,1]=4 12433 B12R1.374 C#CCOc1cc(ccc1C)N 34a_100000759471_100000184674 [0,2,0,0,0,0|1,0,1]=4 12434 B12R1.374 C#CCOc1cc(ccc1C)N 7a_100000759471_100000038162 [0,2,0,0,0,0|1,0,1]=4 12435 B12R1.374 C#CCOc1cc(ccc1Cl)Br 34a_100000738945_100000184674 [0,2,0,0,0,0|1,0,1]=4 12436 B12R1.374 C#CCOc1cc(ccc1Cl)Br 7a_100000738945_100000038162 [0,2,0,0,0,0|1,0,1]=4 12437 B12R1.374 C#CCOc1cc(ccc1Cl)C 34a_100000211493_100000184674 [0,2,0,0,0,0|1,0,1]=4 12438 B12R1.374 C#CCOc1cc(ccc1Cl)C 7a_100000211493_100000038162 [0,2,0,0,0,0|1,0,1]=4 12439 B12R1.374 C#CCOc1cc(ccc1Cl)Cl 34a_100000211422_100000184674 [0,2,0,0,0,0|1,0,1]=4 12440 B12R1.374 C#CCOc1cc(ccc1Cl)Cl 7a_100000211422_100000038162 [0,2,0,0,0,0|1,0,1]=4 12441 B12R1.374 C#CCOc1cc(ccc1Cl)F 34a_100000692107_100000184674 [0,2,0,0,0,0|1,0,1]=4 12442 B12R1.374 C#CCOc1cc(ccc1Cl)F 7a_100000692107_100000038162 [0,2,0,0,0,0|1,0,1]=4 12443 B12R1.374 C#CCOc1cc(ccc1Cl)I 34a_100011356854_100000184674 [0,2,0,0,0,0|1,0,1]=4 12444 B12R1.374 C#CCOc1cc(ccc1Cl)I 7a_100011356854_100000038162 [0,2,0,0,0,0|1,0,1]=4 12445 B12R1.374 C#CCOc1cc(ccc1Cl)N 34a_100011934209_100000184674 [0,2,0,0,0,0|1,0,1]=4 12446 B12R1.374 C#CCOc1cc(ccc1F)Br 34a_100000686035_100000184674 [0,2,0,0,0,0|1,0,1]=4 12447 B12R1.374 C#CCOc1cc(ccc1F)Br 7a_100000686035_100000038162 [0,2,0,0,0,0|1,0,1]=4 12448 B12R1.374 C#CCOc1cc(ccc1F)C 34a_100000759540_100000184674 [0,2,0,0,0,0|1,0,1]=4 12449 B12R1.374 C#CCOc1cc(ccc1F)C 7a_100000759540_100000038162 [0,2,0,0,0,0|1,0,1]=4 12450 B12R1.374 C#CCOc1cc(ccc1F)Cl 34a_100000757397_100000184674 [0,2,0,0,0,0|1,0,1]=4 12451 B12R1.374 C#CCOc1cc(ccc1F)Cl 7a_100000757397_100000038162 [0,2,0,0,0,0|1,0,1]=4 12452 B12R1.374 C#CCOc1cc(ccc1F)F 34a_100000752141_100000184674 [0,2,0,0,0,0|1,0,1]=4 12453 B12R1.374 C#CCOc1cc(ccc1F)F 7a_100000752141_100000038162 [0,2,0,0,0,0|1,0,1]=4 12454 B12R1.374 C#CCOc1cc(ccc1F)I 34a_100009958187_100000184674 [0,2,0,0,0,0|1,0,1]=4 12455 B12R1.374 C#CCOc1cc(ccc1F)I 7a_100009958187_100000038162 [0,2,0,0,0,0|1,0,1]=4 12456 B12R1.374 C#CCOc1cc(ccc1F)N 34a_100012017398_100000184674 [0,2,0,0,0,0|1,0,1]=4 12457 B12R1.374 C#CCOc1cc(ccc1F)N 7a_100012017398_100000038162 [0,2,0,0,0,0|1,0,1]=4 12458 B12R1.374 C#CCOc1cc(ccc1I)Br 34a_100012344904_100000184674 [0,2,0,0,0,0|1,0,1]=4 12459 B12R1.374 C#CCOc1cc(ccc1I)Br 7a_100012344904_100000038162 [0,2,0,0,0,0|1,0,1]=4 12460 B12R1.374 C#CCOc1cc(ccc1I)Cl 34a_100000050036_100000184674 [0,2,0,0,0,0|1,0,1]=4 12461 B12R1.374 C#CCOc1cc(ccc1I)Cl 7a_100000050036_100000038162 [0,2,0,0,0,0|1,0,1]=4 12462 B12R1.374 C#CCOc1cc(ccc1I)F 34a_100010084537_100000184674 [0,2,0,0,0,0|1,0,1]=4 12463 B12R1.374 C#CCOc1cc(ccc1I)F 7a_100010084537_100000038162 [0,2,0,0,0,0|1,0,1]=4 12464 B12R1.374 C#CCOc1cc(ccc1N)Br 34a_100000739049_100000184674 [0,2,0,0,0,0|1,0,1]=4 12465 B12R1.374 C#CCOc1cc(ccc1N)Br 7a_100000739049_100000038162 [0,2,0,0,0,0|1,0,1]=4 12466 B12R1.374 C#CCOc1cc(ccc1N)C 34a_100000211527_100000184674 [0,2,0,0,0,0|1,0,1]=4 12467 B12R1.374 C#CCOc1cc(ccc1N)C 7a_100000211527_100000038162 [0,2,0,0,0,0|1,0,1]=4 12468 B12R1.374 C#CCOc1cc(ccc1N)Cl 34a_100000185728_100000184674 [0,2,0,0,0,0|1,0,1]=4 12469 B12R1.374 C#CCOc1cc(ccc1N)Cl 7a_100000185728_100000038162 [0,2,0,0,0,0|1,0,1]=4 12470 B12R1.374 C#CCOc1cc(ccc1N)F 34a_100000753323_100000184674 [0,2,0,0,0,0|1,0,1]=4 12471 B12R1.374 C#CCOc1cc(ccc1N)F 7a_100000753323_100000038162 [0,2,0,0,0,0|1,0,1]=4 12472 B12R1.374 C#CCOc1cc(ccc1N)I 34a_100000057187_100000184674 [0,2,0,0,0,0|1,0,1]=4 12473 B12R1.374 C#CCOc1cc(ccc1N)I 7a_100000057187_100000038162 [0,2,0,0,0,0|1,0,1]=4 12474 B12R1.374 C#CCOc1cc(ccc1N)N 34a_100025717382_100000184674 [0,2,0,0,0,0|1,0,1]=4 12475 B12R1.374 C=CCOc1cc(ccc1Br)Br 34a_100011220040_100015514636 [0,2,0,0,0,0|1,0,1]=4 12476 B12R1.374 C=CCOc1cc(ccc1Br)Br 7a_100011220040_100015514636 [0,2,0,0,0,0|1,0,1]=4 12477 B12R1.374 C=CCOc1cc(ccc1Br)C 34a_100012002257_100015514636 [0,2,0,0,0,0|1,0,1]=4 12478 B12R1.374 C=CCOc1cc(ccc1Br)C 7a_100012002257_100015514636 [0,2,0,0,0,0|1,0,1]=4 12479 B12R1.374 C=CCOc1cc(ccc1Br)Cl 34a_100012339455_100015514636 [0,2,0,0,0,0|1,0,1]=4 12480 B12R1.374 C=CCOc1cc(ccc1Br)Cl 7a_100012339455_100015514636 [0,2,0,0,0,0|1,0,1]=4 12481 B12R1.374 C=CCOc1cc(ccc1Br)F 34a_100000690578_100015514636 [0,2,0,0,0,0|1,0,1]=4 12482 B12R1.374 C=CCOc1cc(ccc1Br)F 7a_100000690578_100015514636 [0,2,0,0,0,0|1,0,1]=4 12483 B12R1.374 C=CCOc1cc(ccc1Br)I 34a_100012356990_100015514636 [0,2,0,0,0,0|1,0,1]=4 12484 B12R1.374 C=CCOc1cc(ccc1Br)I 7a_100012356990_100015514636 [0,2,0,0,0,0|1,0,1]=4 12485 B12R1.374 C=CCOc1cc(ccc1C)Br 34a_100000685420_100015514636 [0,2,0,0,0,0|1,0,1]=4 12486 B12R1.374 C=CCOc1cc(ccc1C)Br 7a_100000685420_100015514636 [0,2,0,0,0,0|1,0,1]=4 12487 B12R1.374 C=CCOc1cc(ccc1C)C 34a_100000210931_100015514636 [0,2,0,0,0,0|1,0,1]=4 12488 B12R1.374 C=CCOc1cc(ccc1C)C 7a_100000210931_100015514636 [0,2,0,0,0,0|1,0,1]=4 12489 B12R1.374 C=CCOc1cc(ccc1C)Cl 34a_100000756515_100015514636 [0,2,0,0,0,0|1,0,1]=4 12490 B12R1.374 C=CCOc1cc(ccc1C)Cl 7a_100000756515_100015514636 [0,2,0,0,0,0|1,0,1]=4 12491 B12R1.374 C=CCOc1cc(ccc1C)F 34a_100000690566_100015514636 [0,2,0,0,0,0|1,0,1]=4 12492 B12R1.374 C=CCOc1cc(ccc1C)F 7a_100000690566_100015514636 [0,2,0,0,0,0|1,0,1]=4 12493 B12R1.374 C=CCOc1cc(ccc1C)I 7a_100000766334_100015514636 [0,2,0,0,0,0|1,0,1]=4 12494 B12R1.374 C=CCOc1cc(ccc1C)N 34a_100000759471_100015514636 [0,2,0,0,0,0|1,0,1]=4 12495 B12R1.374 C=CCOc1cc(ccc1C)N 7a_100000759471_100015514636 [0,2,0,0,0,0|1,0,1]=4 12496 B12R1.374 C=CCOc1cc(ccc1Cl)Br 34a_100000738945_100015514636 [0,2,0,0,0,0|1,0,1]=4 12497 B12R1.374 C=CCOc1cc(ccc1Cl)Br 7a_100000738945_100015514636 [0,2,0,0,0,0|1,0,1]=4 12498 B12R1.374 C=CCOc1cc(ccc1Cl)C 34a_100000211493_100015514636 [0,2,0,0,0,0|1,0,1]=4 12499 B12R1.374 C=CCOc1cc(ccc1Cl)C 7a_100000211493_100015514636 [0,2,0,0,0,0|1,0,1]=4 12500 B12R1.374 C=CCOc1cc(ccc1Cl)Cl 34a_100000211422_100015514636 [0,2,0,0,0,0|1,0,1]=4 12501 B12R1.374 C=CCOc1cc(ccc1Cl)Cl 7a_100000211422_100015514636 [0,2,0,0,0,0|1,0,1]=4 12502 B12R1.374 C=CCOc1cc(ccc1Cl)F 34a_100000692107_100015514636 [0,2,0,0,0,0|1,0,1]=4 12503 B12R1.374 C=CCOc1cc(ccc1Cl)F 7a_100000692107_100015514636 [0,2,0,0,0,0|1,0,1]=4 12504 B12R1.374 C=CCOc1cc(ccc1Cl)I 34a_100011356854_100015514636 [0,2,0,0,0,0|1,0,1]=4 12505 B12R1.374 C=CCOc1cc(ccc1Cl)I 7a_100011356854_100015514636 [0,2,0,0,0,0|1,0,1]=4 12506 B12R1.374 C=CCOc1cc(ccc1Cl)N 34a_100011934209_100015514636 [0,2,0,0,0,0|1,0,1]=4 12507 B12R1.374 C=CCOc1cc(ccc1F)Br 34a_100000686035_100015514636 [0,2,0,0,0,0|1,0,1]=4 12508 B12R1.374 C=CCOc1cc(ccc1F)Br 7a_100000686035_100015514636 [0,2,0,0,0,0|1,0,1]=4 12509 B12R1.374 C=CCOc1cc(ccc1F)C 34a_100000759540_100015514636 [0,2,0,0,0,0|1,0,1]=4 12510 B12R1.374 C=CCOc1cc(ccc1F)C 7a_100000759540_100015514636 [0,2,0,0,0,0|1,0,1]=4 12511 B12R1.374 C=CCOc1cc(ccc1F)Cl 34a_100000757397_100015514636 [0,2,0,0,0,0|1,0,1]=4 12512 B12R1.374 C=CCOc1cc(ccc1F)Cl 7a_100000757397_100015514636 [0,2,0,0,0,0|1,0,1]=4 12513 B12R1.374 C=CCOc1cc(ccc1F)F 34a_100000752141_100015514636 [0,2,0,0,0,0|1,0,1]=4 12514 B12R1.374 C=CCOc1cc(ccc1F)F 7a_100000752141_100015514636 [0,2,0,0,0,0|1,0,1]=4 12515 B12R1.374 C=CCOc1cc(ccc1F)I 34a_100009958187_100015514636 [0,2,0,0,0,0|1,0,1]=4 12516 B12R1.374 C=CCOc1cc(ccc1F)I 7a_100009958187_100015514636 [0,2,0,0,0,0|1,0,1]=4 12517 B12R1.374 C=CCOc1cc(ccc1F)N 34a_100012017398_100015514636 [0,2,0,0,0,0|1,0,1]=4 12518 B12R1.374 C=CCOc1cc(ccc1F)N 7a_100012017398_100015514636 [0,2,0,0,0,0|1,0,1]=4 12519 B12R1.374 C=CCOc1cc(ccc1I)Br 34a_100012344904_100015514636 [0,2,0,0,0,0|1,0,1]=4 12520 B12R1.374 C=CCOc1cc(ccc1I)Br 7a_100012344904_100015514636 [0,2,0,0,0,0|1,0,1]=4 12521 B12R1.374 C=CCOc1cc(ccc1I)Cl 34a_100000050036_100015514636 [0,2,0,0,0,0|1,0,1]=4 12522 B12R1.374 C=CCOc1cc(ccc1I)Cl 7a_100000050036_100015514636 [0,2,0,0,0,0|1,0,1]=4 12523 B12R1.374 C=CCOc1cc(ccc1I)F 34a_100010084537_100015514636 [0,2,0,0,0,0|1,0,1]=4 12524 B12R1.374 C=CCOc1cc(ccc1I)F 7a_100010084537_100015514636 [0,2,0,0,0,0|1,0,1]=4 12525 B12R1.374 C=CCOc1cc(ccc1N)Br 34a_100000739049_100015514636 [0,2,0,0,0,0|1,0,1]=4 12526 B12R1.374 C=CCOc1cc(ccc1N)Br 7a_100000739049_100015514636 [0,2,0,0,0,0|1,0,1]=4 12527 B12R1.374 C=CCOc1cc(ccc1N)C 34a_100000211527_100015514636 [0,2,0,0,0,0|1,0,1]=4 12528 B12R1.374 C=CCOc1cc(ccc1N)C 7a_100000211527_100015514636 [0,2,0,0,0,0|1,0,1]=4 12529 B12R1.374 C=CCOc1cc(ccc1N)Cl 34a_100000185728_100015514636 [0,2,0,0,0,0|1,0,1]=4 12530 B12R1.374 C=CCOc1cc(ccc1N)Cl 7a_100000185728_100015514636 [0,2,0,0,0,0|1,0,1]=4 12531 B12R1.374 C=CCOc1cc(ccc1N)F 34a_100000753323_100015514636 [0,2,0,0,0,0|1,0,1]=4 12532 B12R1.374 C=CCOc1cc(ccc1N)F 7a_100000753323_100015514636 [0,2,0,0,0,0|1,0,1]=4 12533 B12R1.374 C=CCOc1cc(ccc1N)I 34a_100000057187_100015514636 [0,2,0,0,0,0|1,0,1]=4 12534 B12R1.374 C=CCOc1cc(ccc1N)I 7a_100000057187_100015514636 [0,2,0,0,0,0|1,0,1]=4 12535 B12R1.374 C=CCOc1cc(ccc1N)N 34a_100025717382_100015514636 [0,2,0,0,0,0|1,0,1]=4 12536 B12R1.374 CCCCc1cc(ccc1Br)Br 271570a_100020621405_100011483371 [0,2,0,0,0,0|2,0,0]=4 12537 B12R1.374 CCCCc1cc(ccc1Br)C 271570a_100020621405_100012353751 [0,2,0,0,0,0|2,0,0]=4 12538 B12R1.374 CCCCc1cc(ccc1Br)Cl 271570a_100020621405_100012339723 [0,2,0,0,0,0|2,0,0]=4 12539 B12R1.374 CCCCc1cc(ccc1Br)F 271570a_100020621405_100011217576 [0,2,0,0,0,0|2,0,0]=4 12540 B12R1.374 CCCCc1cc(ccc1Br)N 271570a_100020621405_100000750459 [0,2,0,0,0,0|2,0,0]=4 12541 B12R1.374 CCCCc1cc(ccc1Br)O 271570a_100020621405_100012339312 [0,2,0,0,0,0|2,0,0]=4 12542 B12R1.374 CCCCc1cc(ccc1C)Br 271570a_100020621405_100011344865 [0,2,0,0,0,0|2,0,0]=4 12543 B12R1.374 CCCCc1cc(ccc1C)C 271570a_100020621405_100000210833 [0,2,0,0,0,0|2,0,0]=4 12544 B12R1.374 CCCCc1cc(ccc1C)Cl 271570a_100020621405_100011263213 [0,2,0,0,0,0|2,0,0]=4 12545 B12R1.374 CCCCc1cc(ccc1C)F 271570a_100020621405_100011218078 [0,2,0,0,0,0|2,0,0]=4 12546 B12R1.374 CCCCc1cc(ccc1C)N 271570a_100020621405_100000736455 [0,2,0,0,0,0|2,0,0]=4 12547 B12R1.374 CCCCc1cc(ccc1C)O 271570a_100020621405_100011380479 [0,2,0,0,0,0|2,0,0]=4 12548 B12R1.374 CCCCc1cc(ccc1Cl)Br 271570a_100020621405_100011772130 [0,2,0,0,0,0|2,0,0]=4 12549 B12R1.374 CCCCc1cc(ccc1Cl)C 271570a_100020621405_100012356289 [0,2,0,0,0,0|2,0,0]=4 12550 B12R1.374 CCCCc1cc(ccc1Cl)Cl 271570a_100020621405_100000707729 [0,2,0,0,0,0|2,0,0]=4 12551 B12R1.374 CCCCc1cc(ccc1Cl)F 271570a_100020621405_100011217299 [0,2,0,0,0,0|2,0,0]=4 12552 B12R1.374 CCCCc1cc(ccc1Cl)N 271570a_100020621405_100012360549 [0,2,0,0,0,0|2,0,0]=4 12553 B12R1.374 CCCCc1cc(ccc1Cl)O 271570a_100020621405_100000049588 [0,2,0,0,0,0|2,0,0]=4 12554 B12R1.374 CCCCc1cc(ccc1F)Br 271570a_100020621405_100011217312 [0,2,0,0,0,0|2,0,0]=4 12555 B12R1.374 CCCCc1cc(ccc1F)C 271570a_100020621405_100000736223 [0,2,0,0,0,0|2,0,0]=4 12556 B12R1.374 CCCCc1cc(ccc1F)Cl 271570a_100020621405_100011218116 [0,2,0,0,0,0|2,0,0]=4 12557 B12R1.374 CCCCc1cc(ccc1F)F 271570a_100020621405_100000750033 [0,2,0,0,0,0|2,0,0]=4 12558 B12R1.374 CCCCc1cc(ccc1F)N 271570a_100020621405_100000760356 [0,2,0,0,0,0|2,0,0]=4 12559 B12R1.374 CCCCc1cc(ccc1F)O 271570a_100020621405_100000693481 [0,2,0,0,0,0|2,0,0]=4 12560 B12R1.374 CCCCc1cc(ccc1N)Br 271570a_100020621405_100000187925 [0,2,0,0,0,0|2,0,0]=4 12561 B12R1.374 CCCCc1cc(ccc1N)C 271570a_100020621405_100000210942 [0,2,0,0,0,0|2,0,0]=4 12562 B12R1.374 CCCCc1cc(ccc1N)Cl 271570a_100020621405_100000761889 [0,2,0,0,0,0|2,0,0]=4 12563 B12R1.374 CCCCc1cc(ccc1N)F 271570a_100020621405_100000760547 [0,2,0,0,0,0|2,0,0]=4 12564 B12R1.374 CCCCc1cc(ccc1N)N 271570a_100020621405_100011534242 [0,2,0,0,0,0|2,0,0]=4 12565 B12R1.374 CCCCc1cc(ccc1N)O 271570a_100020621405_100012001276 [0,2,0,0,0,0|2,0,0]=4 12566 B12R1.374 CCCCc1cc(ccc1O)Br 271570a_100020621405_100012355227 [0,2,0,0,0,0|2,0,0]=4 12567 B12R1.374 CCCCc1cc(ccc1O)C 271570a_100020621405_100000765521 [0,2,0,0,0,0|2,0,0]=4 12568 B12R1.374 CCCCc1cc(ccc1O)Cl 271570a_100020621405_100011356953 [0,2,0,0,0,0|2,0,0]=4 12569 B12R1.374 CCCCc1cc(ccc1O)F 271570a_100020621405_100000211999 [0,2,0,0,0,0|2,0,0]=4 12570 B12R1.374 CCCCc1cc(ccc1O)N 271570a_100020621405_100011534360 [0,2,0,0,0,0|2,0,0]=4 12571 B12R1.374 CCCCc1cc(ccc1O)O 271570a_100020621405_100009813629 [0,2,0,0,0,0|2,0,0]=4 12572 B12R1.374 CCCNc1cc(ccc1Br)Br 34a_100000737762_100000210303 [0,2,0,0,0,0|2,0,0]=4 12573 B12R1.374 CCCNc1cc(ccc1Br)C 34a_100000745044_100000210303 [0,2,0,0,0,0|2,0,0]=4 12574 B12R1.374 CCCNc1cc(ccc1Br)Cl 34a_100000687073_100000210303 [0,2,0,0,0,0|2,0,0]=4 12575 B12R1.374 CCCNc1cc(ccc1Br)F 34a_100000687223_100000210303 [0,2,0,0,0,0|2,0,0]=4 12576 B12R1.374 CCCNc1cc(ccc1Br)O 34a_100011999798_100000210303 [0,2,0,0,0,0|2,0,0]=4 12577 B12R1.374 CCCNc1cc(ccc1C)Br 34a_100000741167_100000210303 [0,2,0,0,0,0|2,0,0]=4 12578 B12R1.374 CCCNc1cc(ccc1C)Br 7a_100000741167_100000210303 [0,2,0,0,0,0|2,0,0]=4 12579 B12R1.374 CCCNc1cc(ccc1C)C 2230a_100000185781_100000210303 [0,2,0,0,0,0|2,0,0]=4 12580 B12R1.374 CCCNc1cc(ccc1C)C 34a_100000185781_100000210303 [0,2,0,0,0,0|2,0,0]=4 12581 B12R1.374 CCCNc1cc(ccc1C)C 7a_100000185781_100000210303 [0,2,0,0,0,0|2,0,0]=4 12582 B12R1.374 CCCNc1cc(ccc1C)Cl 34a_100000211374_100000210303 [0,2,0,0,0,0|2,0,0]=4 12583 B12R1.374 CCCNc1cc(ccc1C)Cl 7a_100000211374_100000210303 [0,2,0,0,0,0|2,0,0]=4 12584 B12R1.374 CCCNc1cc(ccc1C)F 34a_100000211107_100000210303 [0,2,0,0,0,0|2,0,0]=4 12585 B12R1.374 CCCNc1cc(ccc1C)F 7a_100000211107_100000210303 [0,2,0,0,0,0|2,0,0]=4 12586 B12R1.374 CCCNc1cc(ccc1C)I 7a_100000761890_100000210303 [0,2,0,0,0,0|2,0,0]=4 12587 B12R1.374 CCCNc1cc(ccc1C)O 34a_100011216113_100000210303 [0,2,0,0,0,0|2,0,0]=4 12588 B12R1.374 CCCNc1cc(ccc1Cl)Br 34a_100000750497_100000210303 [0,2,0,0,0,0|2,0,0]=4 12589 B12R1.374 CCCNc1cc(ccc1Cl)C 34a_100011215360_100000210303 [0,2,0,0,0,0|2,0,0]=4 12590 B12R1.374 CCCNc1cc(ccc1Cl)Cl 34a_100000184485_100000210303 [0,2,0,0,0,0|2,0,0]=4 12591 B12R1.374 CCCNc1cc(ccc1Cl)F 34a_100000751338_100000210303 [0,2,0,0,0,0|2,0,0]=4 12592 B12R1.374 CCCNc1cc(ccc1Cl)I 34a_200000761891_100000210303 [0,2,0,0,0,0|2,0,0]=4 12593 B12R1.374 CCCNc1cc(ccc1Cl)O 34a_100011934297_100000210303 [0,2,0,0,0,0|2,0,0]=4 12594 B12R1.374 CCCNc1cc(ccc1F)Br 34a_100000740924_100000210303 [0,2,0,0,0,0|2,0,0]=4 12595 B12R1.374 CCCNc1cc(ccc1F)C 34a_100000211285_100000210303 [0,2,0,0,0,0|2,0,0]=4 12596 B12R1.374 CCCNc1cc(ccc1F)Cl 34a_100000212115_100000210303 [0,2,0,0,0,0|2,0,0]=4 12597 B12R1.374 CCCNc1cc(ccc1F)F 34a_100000210742_100000210303 [0,2,0,0,0,0|2,0,0]=4 12598 B12R1.374 CCCNc1cc(ccc1F)I 34a_100011464823_100000210303 [0,2,0,0,0,0|2,0,0]=4 12599 B12R1.374 CCCNc1cc(ccc1F)O 34a_100012017239_100000210303 [0,2,0,0,0,0|2,0,0]=4 12600 B12R1.374 CCCNc1cc(ccc1I)Br 34a_100000743836_100000210303 [0,2,0,0,0,0|2,0,0]=4 12601 B12R1.374 CCCNc1cc(ccc1I)C 34a_100011216686_100000210303 [0,2,0,0,0,0|2,0,0]=4 12602 B12R1.374 CCCNc1cc(ccc1I)Cl 34a_100000761886_100000210303 [0,2,0,0,0,0|2,0,0]=4 12603 B12R1.374 CCCNc1cc(ccc1I)F 34a_100011218093_100000210303 [0,2,0,0,0,0|2,0,0]=4 12604 B12R1.374 CCCNc1cc(ccc1O)Br 34a_100000752626_100000210303 [0,2,0,0,0,0|2,0,0]=4 12605 B12R1.374 CCCNc1cc(ccc1O)C 34a_100011215204_100000210303 [0,2,0,0,0,0|2,0,0]=4 12606 B12R1.374 CCCNc1cc(ccc1O)Cl 34a_100000210500_100000210303 [0,2,0,0,0,0|2,0,0]=4 12607 B12R1.374 CCCNc1cc(ccc1O)F 34a_100000759472_100000210303 [0,2,0,0,0,0|2,0,0]=4 12608 B12R1.374 CCCOc1cc(=O)[nH]cc1Cl 34a_100000069390_100000210303 [0,2,0,0,0,0|2,0,0]=4 12609 B12R1.374 CCCOc1cc(ccc1Br)Br 34a_100011220040_100000210303 [0,2,0,0,0,0|1,0,0]=3 12610 B12R1.374 CCCOc1cc(ccc1Br)Br 7a_100011220040_100000210303 [0,2,0,0,0,0|1,0,0]=3 12611 B12R1.374 CCCOc1cc(ccc1Br)C 34a_100012002257_100000210303 [0,2,0,0,0,0|1,0,0]=3 12612 B12R1.374 CCCOc1cc(ccc1Br)C 7a_100012002257_100000210303 [0,2,0,0,0,0|1,0,0]=3 12613 B12R1.374 CCCOc1cc(ccc1Br)Cl 34a_100012339455_100000210303 [0,2,0,0,0,0|1,0,0]=3 12614 B12R1.374 CCCOc1cc(ccc1Br)Cl 7a_100012339455_100000210303 [0,2,0,0,0,0|1,0,0]=3 12615 B12R1.374 CCCOc1cc(ccc1Br)F 34a_100000690578_100000210303 [0,2,0,0,0,0|1,0,0]=3 12616 B12R1.374 CCCOc1cc(ccc1Br)F 7a_100000690578_100000210303 [0,2,0,0,0,0|1,0,0]=3 12617 B12R1.374 CCCOc1cc(ccc1Br)I 34a_100012356990_100000210303 [0,2,0,0,0,0|1,0,0]=3 12618 B12R1.374 CCCOc1cc(ccc1Br)I 7a_100012356990_100000210303 [0,2,0,0,0,0|1,0,0]=3 12619 B12R1.374 CCCOc1cc(ccc1C)Br 34a_100000685420_100000210303 [0,2,0,0,0,0|1,0,0]=3 12620 B12R1.374 CCCOc1cc(ccc1C)Br 7a_100000685420_100000210303 [0,2,0,0,0,0|1,0,0]=3 12621 B12R1.374 CCCOc1cc(ccc1C)C 34a_100000210931_100000210303 [0,2,0,0,0,0|1,0,0]=3 12622 B12R1.374 CCCOc1cc(ccc1C)C 7a_100000210931_100000210303 [0,2,0,0,0,0|1,0,0]=3 12623 B12R1.374 CCCOc1cc(ccc1C)Cl 34a_100000756515_100000210303 [0,2,0,0,0,0|1,0,0]=3 12624 B12R1.374 CCCOc1cc(ccc1C)Cl 7a_100000756515_100000210303 [0,2,0,0,0,0|1,0,0]=3 12625 B12R1.374 CCCOc1cc(ccc1C)F 34a_100000690566_100000210303 [0,2,0,0,0,0|1,0,0]=3 12626 B12R1.374 CCCOc1cc(ccc1C)F 7a_100000690566_100000210303 [0,2,0,0,0,0|1,0,0]=3 12627 B12R1.374 CCCOc1cc(ccc1C)I 7a_100000766334_100000210303 [0,2,0,0,0,0|1,0,0]=3 12628 B12R1.374 CCCOc1cc(ccc1C)N 34a_100000759471_100000210303 [0,2,0,0,0,0|1,0,0]=3 12629 B12R1.374 CCCOc1cc(ccc1C)N 7a_100000759471_100000210303 [0,2,0,0,0,0|1,0,0]=3 12630 B12R1.374 CCCOc1cc(ccc1Cl)Br 34a_100000738945_100000210303 [0,2,0,0,0,0|1,0,0]=3 12631 B12R1.374 CCCOc1cc(ccc1Cl)Br 7a_100000738945_100000210303 [0,2,0,0,0,0|1,0,0]=3 12632 B12R1.374 CCCOc1cc(ccc1Cl)C 34a_100000211493_100000210303 [0,2,0,0,0,0|1,0,0]=3 12633 B12R1.374 CCCOc1cc(ccc1Cl)C 7a_100000211493_100000210303 [0,2,0,0,0,0|1,0,0]=3 12634 B12R1.374 CCCOc1cc(ccc1Cl)Cl 34a_100000211422_100000210303 [0,2,0,0,0,0|1,0,0]=3 12635 B12R1.374 CCCOc1cc(ccc1Cl)Cl 7a_100000211422_100000210303 [0,2,0,0,0,0|1,0,0]=3 12636 B12R1.374 CCCOc1cc(ccc1Cl)F 34a_100000692107_100000210303 [0,2,0,0,0,0|1,0,0]=3 12637 B12R1.374 CCCOc1cc(ccc1Cl)F 7a_100000692107_100000210303 [0,2,0,0,0,0|1,0,0]=3 12638 B12R1.374 CCCOc1cc(ccc1Cl)I 34a_100011356854_100000210303 [0,2,0,0,0,0|1,0,0]=3 12639 B12R1.374 CCCOc1cc(ccc1Cl)I 7a_100011356854_100000210303 [0,2,0,0,0,0|1,0,0]=3 12640 B12R1.374 CCCOc1cc(ccc1Cl)N 34a_100011934209_100000210303 [0,2,0,0,0,0|1,0,0]=3 12641 B12R1.374 CCCOc1cc(ccc1F)Br 34a_100000686035_100000210303 [0,2,0,0,0,0|1,0,0]=3 12642 B12R1.374 CCCOc1cc(ccc1F)Br 7a_100000686035_100000210303 [0,2,0,0,0,0|1,0,0]=3 12643 B12R1.374 CCCOc1cc(ccc1F)C 34a_100000759540_100000210303 [0,2,0,0,0,0|1,0,0]=3 12644 B12R1.374 CCCOc1cc(ccc1F)C 7a_100000759540_100000210303 [0,2,0,0,0,0|1,0,0]=3 12645 B12R1.374 CCCOc1cc(ccc1F)Cl 34a_100000757397_100000210303 [0,2,0,0,0,0|1,0,0]=3 12646 B12R1.374 CCCOc1cc(ccc1F)Cl 7a_100000757397_100000210303 [0,2,0,0,0,0|1,0,0]=3 12647 B12R1.374 CCCOc1cc(ccc1F)F 34a_100000752141_100000210303 [0,2,0,0,0,0|1,0,0]=3 12648 B12R1.374 CCCOc1cc(ccc1F)F 7a_100000752141_100000210303 [0,2,0,0,0,0|1,0,0]=3 12649 B12R1.374 CCCOc1cc(ccc1F)I 34a_100009958187_100000210303 [0,2,0,0,0,0|1,0,0]=3 12650 B12R1.374 CCCOc1cc(ccc1F)I 7a_100009958187_100000210303 [0,2,0,0,0,0|1,0,0]=3 12651 B12R1.374 CCCOc1cc(ccc1F)N 34a_100012017398_100000210303 [0,2,0,0,0,0|1,0,0]=3 12652 B12R1.374 CCCOc1cc(ccc1F)N 7a_100012017398_100000210303 [0,2,0,0,0,0|1,0,0]=3 12653 B12R1.374 CCCOc1cc(ccc1I)Br 34a_100012344904_100000210303 [0,2,0,0,0,0|1,0,0]=3 12654 B12R1.374 CCCOc1cc(ccc1I)Br 7a_100012344904_100000210303 [0,2,0,0,0,0|1,0,0]=3 12655 B12R1.374 CCCOc1cc(ccc1I)Cl 34a_100000050036_100000210303 [0,2,0,0,0,0|1,0,0]=3 12656 B12R1.374 CCCOc1cc(ccc1I)Cl 7a_100000050036_100000210303 [0,2,0,0,0,0|1,0,0]=3 12657 B12R1.374 CCCOc1cc(ccc1I)F 34a_100010084537_100000210303 [0,2,0,0,0,0|1,0,0]=3 12658 B12R1.374 CCCOc1cc(ccc1I)F 7a_100010084537_100000210303 [0,2,0,0,0,0|1,0,0]=3 12659 B12R1.374 CCCOc1cc(ccc1N)Br 34a_100000739049_100000210303 [0,2,0,0,0,0|1,0,0]=3 12660 B12R1.374 CCCOc1cc(ccc1N)Br 7a_100000739049_100000210303 [0,2,0,0,0,0|1,0,0]=3 12661 B12R1.374 CCCOc1cc(ccc1N)C 34a_100000211527_100000210303 [0,2,0,0,0,0|1,0,0]=3 12662 B12R1.374 CCCOc1cc(ccc1N)C 7a_100000211527_100000210303 [0,2,0,0,0,0|1,0,0]=3 12663 B12R1.374 CCCOc1cc(ccc1N)Cl 34a_100000185728_100000210303 [0,2,0,0,0,0|1,0,0]=3 12664 B12R1.374 CCCOc1cc(ccc1N)Cl 7a_100000185728_100000210303 [0,2,0,0,0,0|1,0,0]=3 12665 B12R1.374 CCCOc1cc(ccc1N)F 34a_100000753323_100000210303 [0,2,0,0,0,0|1,0,0]=3 12666 B12R1.374 CCCOc1cc(ccc1N)F 7a_100000753323_100000210303 [0,2,0,0,0,0|1,0,0]=3 12667 B12R1.374 CCCOc1cc(ccc1N)I 34a_100000057187_100000210303 [0,2,0,0,0,0|1,0,0]=3 12668 B12R1.374 CCCOc1cc(ccc1N)I 7a_100000057187_100000210303 [0,2,0,0,0,0|1,0,0]=3 12669 B12R1.374 CCCOc1cc(ccc1N)N 34a_100025717382_100000210303 [0,2,0,0,0,0|1,0,0]=3 12670 B12R1.374 CCCOc1cc(ccc1O)F 271570a_203496583355_200012344540 [0,2,0,0,0,0|1,0,0]=3 12671 B12R1.374 CCCOc1cc(cnc1Br)Cl 34a_100000697010_100000210303 [0,2,0,0,0,0|2,0,0]=4 12672 B12R1.374 CCCOc1cc(cnc1Br)Cl 7a_100000697010_100000210303 [0,2,0,0,0,0|2,0,0]=4 12673 B12R1.374 CCCOc1cc(cnc1Br)F 34a_100009820119_100000210303 [0,2,0,0,0,0|2,0,0]=4 12674 B12R1.374 CCCOc1cc(cnc1Br)F 7a_100009820119_100000210303 [0,2,0,0,0,0|2,0,0]=4 12675 B12R1.374 CCCOc1cc(cnc1C)Br 34a_100009864810_100000210303 [0,2,0,0,0,0|2,0,0]=4 12676 B12R1.374 CCCOc1cc(cnc1C)Br 7a_100009864810_100000210303 [0,2,0,0,0,0|2,0,0]=4 12677 B12R1.374 CCCOc1cc(cnc1Cl)Br 34a_100012354860_100000210303 [0,2,0,0,0,0|2,0,0]=4 12678 B12R1.374 CCCOc1cc(cnc1Cl)Br 7a_100012354860_100000210303 [0,2,0,0,0,0|2,0,0]=4 12679 B12R1.374 CCCOc1cc(cnc1Cl)C 34a_100012000487_100000210303 [0,2,0,0,0,0|2,0,0]=4 12680 B12R1.374 CCCOc1cc(cnc1Cl)C 7a_100012000487_100000210303 [0,2,0,0,0,0|2,0,0]=4 12681 B12R1.374 CCCOc1cc(cnc1Cl)F 34a_100000079967_100000210303 [0,2,0,0,0,0|2,0,0]=4 12682 B12R1.374 CCCOc1cc(cnc1Cl)F 7a_100000079967_100000210303 [0,2,0,0,0,0|2,0,0]=4 12683 B12R1.374 CCCOc1cc(cnc1F)Br 34a_100009819871_100000210303 [0,2,0,0,0,0|2,0,0]=4 12684 B12R1.374 CCCOc1cc(cnc1F)Br 7a_100009819871_100000210303 [0,2,0,0,0,0|2,0,0]=4 12685 B12R1.374 CCCOc1cc(cnc1F)C 34a_100009849810_100000210303 [0,2,0,0,0,0|2,0,0]=4 12686 B12R1.374 CCCOc1cc(cnc1F)C 7a_100009849810_100000210303 [0,2,0,0,0,0|2,0,0]=4 12687 B12R1.374 CCCOc1cc(cnc1F)Cl 34a_100000094372_100000210303 [0,2,0,0,0,0|2,0,0]=4 12688 B12R1.374 CCCOc1cc(cnc1F)Cl 7a_100000094372_100000210303 [0,2,0,0,0,0|2,0,0]=4 12689 B12R1.374 CCCOc1cc(cnc1I)Br 34a_100010210634_100000210303 [0,2,0,0,0,0|2,0,0]=4 12690 B12R1.374 CCCOc1cc(cnc1I)Br 7a_100010210634_100000210303 [0,2,0,0,0,0|2,0,0]=4 12691 B12R1.374 CCCOc1cc(cnc1I)Cl 34a_100010233512_100000210303 [0,2,0,0,0,0|2,0,0]=4 12692 B12R1.374 CCCOc1cc(cnc1I)Cl 7a_100010233512_100000210303 [0,2,0,0,0,0|2,0,0]=4 12693 B12R1.374 CCCOc1cc(cnc1I)F 34a_100015624800_100000210303 [0,2,0,0,0,0|2,0,0]=4 12694 B12R1.374 CCCOc1cc(cnc1I)F 7a_100015624800_100000210303 [0,2,0,0,0,0|2,0,0]=4 12695 B12R1.374 CCCOc1cc(cnc1N)Br 34a_100009819042_100000210303 [0,2,0,0,0,0|2,0,0]=4 12696 B12R1.374 CCCOc1cc(cnc1N)Br 7a_100009819042_100000210303 [0,2,0,0,0,0|2,0,0]=4 12697 B12R1.374 CCCOc1cc(cnc1N)Cl 34a_100000123674_100000210303 [0,2,0,0,0,0|2,0,0]=4 12698 B12R1.374 CCCOc1cc(cnc1N)Cl 7a_100000123674_100000210303 [0,2,0,0,0,0|2,0,0]=4 12699 B12R1.374 CCCOc1cc(cnc1N)F 34a_100000094369_100000210303 [0,2,0,0,0,0|2,0,0]=4 12700 B12R1.374 CCCOc1cc(cnc1N)F 7a_100000094369_100000210303 [0,2,0,0,0,0|2,0,0]=4 12701 B12R1.374 CCCOc1cc(ncc1Br)Br 34a_100010235016_100000210303 [0,2,0,0,0,0|2,0,0]=4 12702 B12R1.374 CCCOc1cc(ncc1Br)C 34a_100011016184_100000210303 [0,2,0,0,0,0|2,0,0]=4 12703 B12R1.374 CCCOc1cc(ncc1Br)Cl 34a_100010173860_100000210303 [0,2,0,0,0,0|2,0,0]=4 12704 B12R1.374 CCCOc1cc(ncc1C)Br 34a_100000704368_100000210303 [0,2,0,0,0,0|2,0,0]=4 12705 B12R1.374 CCCOc1cc(ncc1C)Br 7a_100000704368_100000210303 [0,2,0,0,0,0|2,0,0]=4 12706 B12R1.374 CCCOc1cc(ncc1Cl)Br 34a_100010173861_100000210303 [0,2,0,0,0,0|2,0,0]=4 12707 B12R1.374 CCCOc1cc(ncc1F)Br 34a_100009854642_100000210303 [0,2,0,0,0,0|2,0,0]=4 12708 B12R1.374 CCCOc1cc(ncc1F)Cl 34a_100009851168_100000210303 [0,2,0,0,0,0|2,0,0]=4 12709 B12R1.374 CCCOc1nc(ccc1Br)C 34a_100009817604_100000210303 [0,2,0,0,0,0|2,0,0]=4 12710 B12R1.374 CCCOc1nc(ccc1F)Cl 34a_100010729010_100000210303 [0,2,0,0,0,0|2,0,0]=4 12711 B12R1.374 CCCOc1nc(ccc1N)C 34a_100000687486_100000210303 [0,2,0,0,0,0|2,0,0]=4 12712 B12R1.374 CCCSc1cc(ccc1Br)Br 62a_100000210303_100011483371 [0,2,0,0,0,0|1,1,0]=4 12713 B12R1.374 CCCSc1cc(ccc1Br)Br 62a_100011483371_100000210303 [0,2,0,0,0,0|1,1,0]=4 12714 B12R1.374 CCCSc1cc(ccc1Br)C 62a_100000210303_100012353751 [0,2,0,0,0,0|1,1,0]=4 12715 B12R1.374 CCCSc1cc(ccc1Br)C 62a_100012353751_100000210303 [0,2,0,0,0,0|1,1,0]=4 12716 B12R1.374 CCCSc1cc(ccc1Br)Cl 62a_100000210303_100012339723 [0,2,0,0,0,0|1,1,0]=4 12717 B12R1.374 CCCSc1cc(ccc1Br)Cl 62a_100012339723_100000210303 [0,2,0,0,0,0|1,1,0]=4 12718 B12R1.374 CCCSc1cc(ccc1Br)F 62a_100000210303_100011217576 [0,2,0,0,0,0|1,1,0]=4 12719 B12R1.374 CCCSc1cc(ccc1Br)F 62a_100011217576_100000210303 [0,2,0,0,0,0|1,1,0]=4 12720 B12R1.374 CCCSc1cc(ccc1Br)N 62a_100000210303_100000750459 [0,2,0,0,0,0|1,1,0]=4 12721 B12R1.374 CCCSc1cc(ccc1Br)N 62a_100000750459_100000210303 [0,2,0,0,0,0|1,1,0]=4 12722 B12R1.374 CCCSc1cc(ccc1Br)O 62a_100000210303_100012339312 [0,2,0,0,0,0|1,1,0]=4 12723 B12R1.374 CCCSc1cc(ccc1Br)O 62a_100012339312_100000210303 [0,2,0,0,0,0|1,1,0]=4 12724 B12R1.374 CCCSc1cc(ccc1C)Br 62a_100000210303_100011344865 [0,2,0,0,0,0|1,1,0]=4 12725 B12R1.374 CCCSc1cc(ccc1C)Br 62a_100011344865_100000210303 [0,2,0,0,0,0|1,1,0]=4 12726 B12R1.374 CCCSc1cc(ccc1C)C 62a_100000210303_100000210833 [0,2,0,0,0,0|1,1,0]=4 12727 B12R1.374 CCCSc1cc(ccc1C)C 62a_100000210833_100000210303 [0,2,0,0,0,0|1,1,0]=4 12728 B12R1.374 CCCSc1cc(ccc1C)Cl 62a_100000210303_100011263213 [0,2,0,0,0,0|1,1,0]=4 12729 B12R1.374 CCCSc1cc(ccc1C)Cl 62a_100011263213_100000210303 [0,2,0,0,0,0|1,1,0]=4 12730 B12R1.374 CCCSc1cc(ccc1C)F 62a_100000210303_100011218078 [0,2,0,0,0,0|1,1,0]=4 12731 B12R1.374 CCCSc1cc(ccc1C)F 62a_100011218078_100000210303 [0,2,0,0,0,0|1,1,0]=4 12732 B12R1.374 CCCSc1cc(ccc1C)N 62a_100000210303_100000736455 [0,2,0,0,0,0|1,1,0]=4 12733 B12R1.374 CCCSc1cc(ccc1C)N 62a_100000736455_100000210303 [0,2,0,0,0,0|1,1,0]=4 12734 B12R1.374 CCCSc1cc(ccc1C)O 62a_100000210303_100011380479 [0,2,0,0,0,0|1,1,0]=4 12735 B12R1.374 CCCSc1cc(ccc1C)O 62a_100011380479_100000210303 [0,2,0,0,0,0|1,1,0]=4 12736 B12R1.374 CCCSc1cc(ccc1Cl)Br 62a_100000210303_100011772130 [0,2,0,0,0,0|1,1,0]=4 12737 B12R1.374 CCCSc1cc(ccc1Cl)Br 62a_100011772130_100000210303 [0,2,0,0,0,0|1,1,0]=4 12738 B12R1.374 CCCSc1cc(ccc1Cl)C 62a_100000210303_100012356289 [0,2,0,0,0,0|1,1,0]=4 12739 B12R1.374 CCCSc1cc(ccc1Cl)C 62a_100012356289_100000210303 [0,2,0,0,0,0|1,1,0]=4 12740 B12R1.374 CCCSc1cc(ccc1Cl)Cl 62a_100000210303_100000707729 [0,2,0,0,0,0|1,1,0]=4 12741 B12R1.374 CCCSc1cc(ccc1Cl)Cl 62a_100000707729_100000210303 [0,2,0,0,0,0|1,1,0]=4 12742 B12R1.374 CCCSc1cc(ccc1Cl)F 62a_100000210303_100011217299 [0,2,0,0,0,0|1,1,0]=4 12743 B12R1.374 CCCSc1cc(ccc1Cl)F 62a_100011217299_100000210303 [0,2,0,0,0,0|1,1,0]=4 12744 B12R1.374 CCCSc1cc(ccc1Cl)N 62a_100000210303_100012360549 [0,2,0,0,0,0|1,1,0]=4 12745 B12R1.374 CCCSc1cc(ccc1Cl)N 62a_100012360549_100000210303 [0,2,0,0,0,0|1,1,0]=4 12746 B12R1.374 CCCSc1cc(ccc1Cl)O 62a_100000049588_100000210303 [0,2,0,0,0,0|1,1,0]=4 12747 B12R1.374 CCCSc1cc(ccc1Cl)O 62a_100000210303_100000049588 [0,2,0,0,0,0|1,1,0]=4 12748 B12R1.374 CCCSc1cc(ccc1F)Br 62a_100000210303_100011217312 [0,2,0,0,0,0|1,1,0]=4 12749 B12R1.374 CCCSc1cc(ccc1F)Br 62a_100011217312_100000210303 [0,2,0,0,0,0|1,1,0]=4 12750 B12R1.374 CCCSc1cc(ccc1F)C 62a_100000210303_100000736223 [0,2,0,0,0,0|1,1,0]=4 12751 B12R1.374 CCCSc1cc(ccc1F)C 62a_100000736223_100000210303 [0,2,0,0,0,0|1,1,0]=4 12752 B12R1.374 CCCSc1cc(ccc1F)Cl 62a_100000210303_100011218116 [0,2,0,0,0,0|1,1,0]=4 12753 B12R1.374 CCCSc1cc(ccc1F)Cl 62a_100011218116_100000210303 [0,2,0,0,0,0|1,1,0]=4 12754 B12R1.374 CCCSc1cc(ccc1F)F 62a_100000210303_100011219198 [0,2,0,0,0,0|1,1,0]=4 12755 B12R1.374 CCCSc1cc(ccc1F)F 62a_100011219198_100000210303 [0,2,0,0,0,0|1,1,0]=4 12756 B12R1.374 CCCSc1cc(ccc1F)N 62a_100000210303_100000760356 [0,2,0,0,0,0|1,1,0]=4 12757 B12R1.374 CCCSc1cc(ccc1F)N 62a_100000760356_100000210303 [0,2,0,0,0,0|1,1,0]=4 12758 B12R1.374 CCCSc1cc(ccc1F)O 62a_100000210303_100000693481 [0,2,0,0,0,0|1,1,0]=4 12759 B12R1.374 CCCSc1cc(ccc1F)O 62a_100000693481_100000210303 [0,2,0,0,0,0|1,1,0]=4 12760 B12R1.374 CCCSc1cc(ccc1N)Br 62a_100000187925_100000210303 [0,2,0,0,0,0|1,1,0]=4 12761 B12R1.374 CCCSc1cc(ccc1N)Br 62a_100000210303_100000187925 [0,2,0,0,0,0|1,1,0]=4 12762 B12R1.374 CCCSc1cc(ccc1N)C 62a_100000210303_100011356834 [0,2,0,0,0,0|1,1,0]=4 12763 B12R1.374 CCCSc1cc(ccc1N)C 62a_100011356834_100000210303 [0,2,0,0,0,0|1,1,0]=4 12764 B12R1.374 CCCSc1cc(ccc1N)Cl 62a_100000210303_100000761889 [0,2,0,0,0,0|1,1,0]=4 12765 B12R1.374 CCCSc1cc(ccc1N)Cl 62a_100000761889_100000210303 [0,2,0,0,0,0|1,1,0]=4 12766 B12R1.374 CCCSc1cc(ccc1N)F 62a_100000210303_100000760547 [0,2,0,0,0,0|1,1,0]=4 12767 B12R1.374 CCCSc1cc(ccc1N)F 62a_100000760547_100000210303 [0,2,0,0,0,0|1,1,0]=4 12768 B12R1.374 CCCSc1cc(ccc1N)N 62a_100000210303_100011534242 [0,2,0,0,0,0|1,1,0]=4 12769 B12R1.374 CCCSc1cc(ccc1N)N 62a_100011534242_100000210303 [0,2,0,0,0,0|1,1,0]=4 12770 B12R1.374 CCCSc1cc(ccc1N)O 62a_100000210303_100012001276 [0,2,0,0,0,0|1,1,0]=4 12771 B12R1.374 CCCSc1cc(ccc1N)O 62a_100012001276_100000210303 [0,2,0,0,0,0|1,1,0]=4 12772 B12R1.374 CCCSc1cc(ccc1O)Br 62a_100000210303_100012355227 [0,2,0,0,0,0|1,1,0]=4 12773 B12R1.374 CCCSc1cc(ccc1O)Br 62a_100012355227_100000210303 [0,2,0,0,0,0|1,1,0]=4 12774 B12R1.374 CCCSc1cc(ccc1O)C 62a_100000210303_100000765521 [0,2,0,0,0,0|1,1,0]=4 12775 B12R1.374 CCCSc1cc(ccc1O)C 62a_100000765521_100000210303 [0,2,0,0,0,0|1,1,0]=4 12776 B12R1.374 CCCSc1cc(ccc1O)Cl 62a_100000210303_100011356953 [0,2,0,0,0,0|1,1,0]=4 12777 B12R1.374 CCCSc1cc(ccc1O)Cl 62a_100011356953_100000210303 [0,2,0,0,0,0|1,1,0]=4 12778 B12R1.374 CCCSc1cc(ccc1O)F 62a_100000210303_100000211999 [0,2,0,0,0,0|1,1,0]=4 12779 B12R1.374 CCCSc1cc(ccc1O)F 62a_100000211999_100000210303 [0,2,0,0,0,0|1,1,0]=4 12780 B12R1.374 CCCSc1cc(ccc1O)N 62a_100000210303_100011534360 [0,2,0,0,0,0|1,1,0]=4 12781 B12R1.374 CCCSc1cc(ccc1O)N 62a_100011534360_100000210303 [0,2,0,0,0,0|1,1,0]=4 12782 B12R1.374 CCCSc1cc(ccc1O)O 62a_100000210303_100009813629 [0,2,0,0,0,0|1,1,0]=4 12783 B12R1.374 COCOc1cc(ccc1O)C 271570a_203496583355_200023989289 [0,2,0,0,0,0|2,0,0]=4 12784 B12R1.374 COCOc1cc(ccc1O)F 271570a_203496583355_200012568746 [0,2,0,0,0,0|2,0,0]=4 12785 B12R1.374 CSCOc1cc(ccc1Br)Br 34a_100011220040_100011218213 [0,2,0,0,0,0|2,0,0]=4 12786 B12R1.374 CSCOc1cc(ccc1Br)C 34a_100012002257_100011218213 [0,2,0,0,0,0|2,0,0]=4 12787 B12R1.374 CSCOc1cc(ccc1Br)Cl 34a_100012339455_100011218213 [0,2,0,0,0,0|2,0,0]=4 12788 B12R1.374 CSCOc1cc(ccc1Br)F 34a_100000690578_100011218213 [0,2,0,0,0,0|2,0,0]=4 12789 B12R1.374 CSCOc1cc(ccc1Br)I 34a_100012356990_100011218213 [0,2,0,0,0,0|2,0,0]=4 12790 B12R1.374 CSCOc1cc(ccc1C)Br 34a_100000685420_100011218213 [0,2,0,0,0,0|2,0,0]=4 12791 B12R1.374 CSCOc1cc(ccc1C)C 34a_100000210931_100011218213 [0,2,0,0,0,0|2,0,0]=4 12792 B12R1.374 CSCOc1cc(ccc1C)Cl 34a_100000756515_100011218213 [0,2,0,0,0,0|2,0,0]=4 12793 B12R1.374 CSCOc1cc(ccc1C)F 34a_100000690566_100011218213 [0,2,0,0,0,0|2,0,0]=4 12794 B12R1.374 CSCOc1cc(ccc1C)N 34a_100000759471_100011218213 [0,2,0,0,0,0|2,0,0]=4 12795 B12R1.374 CSCOc1cc(ccc1Cl)Br 34a_100000738945_100011218213 [0,2,0,0,0,0|2,0,0]=4 12796 B12R1.374 CSCOc1cc(ccc1Cl)C 34a_100000211493_100011218213 [0,2,0,0,0,0|2,0,0]=4 12797 B12R1.374 CSCOc1cc(ccc1Cl)Cl 34a_100000211422_100011218213 [0,2,0,0,0,0|2,0,0]=4 12798 B12R1.374 CSCOc1cc(ccc1Cl)F 34a_100000692107_100011218213 [0,2,0,0,0,0|2,0,0]=4 12799 B12R1.374 CSCOc1cc(ccc1Cl)I 34a_100011356854_100011218213 [0,2,0,0,0,0|2,0,0]=4 12800 B12R1.374 CSCOc1cc(ccc1Cl)N 34a_100011934209_100011218213 [0,2,0,0,0,0|2,0,0]=4 12801 B12R1.374 CSCOc1cc(ccc1F)Br 34a_100000686035_100011218213 [0,2,0,0,0,0|2,0,0]=4 12802 B12R1.374 CSCOc1cc(ccc1F)C 34a_100000759540_100011218213 [0,2,0,0,0,0|2,0,0]=4 12803 B12R1.374 CSCOc1cc(ccc1F)Cl 34a_100000757397_100011218213 [0,2,0,0,0,0|2,0,0]=4 12804 B12R1.374 CSCOc1cc(ccc1F)F 34a_100000752141_100011218213 [0,2,0,0,0,0|2,0,0]=4 12805 B12R1.374 CSCOc1cc(ccc1F)I 34a_100009958187_100011218213 [0,2,0,0,0,0|2,0,0]=4 12806 B12R1.374 CSCOc1cc(ccc1F)N 34a_100012017398_100011218213 [0,2,0,0,0,0|2,0,0]=4 12807 B12R1.374 CSCOc1cc(ccc1I)Br 34a_100012344904_100011218213 [0,2,0,0,0,0|2,0,0]=4 12808 B12R1.374 CSCOc1cc(ccc1I)Cl 34a_100000050036_100011218213 [0,2,0,0,0,0|2,0,0]=4 12809 B12R1.374 CSCOc1cc(ccc1I)F 34a_100010084537_100011218213 [0,2,0,0,0,0|2,0,0]=4 12810 B12R1.374 CSCOc1cc(ccc1N)Br 34a_100000739049_100011218213 [0,2,0,0,0,0|2,0,0]=4 12811 B12R1.374 CSCOc1cc(ccc1N)C 34a_100000211527_100011218213 [0,2,0,0,0,0|2,0,0]=4 12812 B12R1.374 CSCOc1cc(ccc1N)Cl 34a_100000185728_100011218213 [0,2,0,0,0,0|2,0,0]=4 12813 B12R1.374 CSCOc1cc(ccc1N)F 34a_100000753323_100011218213 [0,2,0,0,0,0|2,0,0]=4 12814 B12R1.374 CSCOc1cc(ccc1N)I 34a_100000057187_100011218213 [0,2,0,0,0,0|2,0,0]=4 12815 B12R1.374 CSCOc1cc(ccc1N)N 34a_100025717382_100011218213 [0,2,0,0,0,0|2,0,0]=4 12816 B12R1.374 Cc1cc(c(cn1)Br)OCCF 34a_100011016184_100011217306 [0,2,0,0,0,0|2,0,0]=4 12817 B12R1.374 Cc1cc(c(cn1)Br)OCCO 34a_100011016184_100000211926 [0,2,0,0,0,0|1,0,0]=3 12818 B12R1.374 Cc1cc(c(cn1)C)SCCO 62a_100000211926_100009862788 [0,2,0,0,0,0|1,1,0]=4 12819 B12R1.374 Cc1cc(c(cn1)C)SCCO 62a_100009862788_100000211926 [0,2,0,0,0,0|1,1,0]=4 12820 B12R1.374 Cc1cc(c(cn1)F)NCCO 27a_100000210304_100009867690 [0,2,0,0,0,0|2,0,0]=4 12821 B12R1.374 Cc1cc(c(cn1)F)SCCO 62a_100000211926_100009867690 [0,2,0,0,0,0|1,1,0]=4 12822 B12R1.374 Cc1cc(c(cn1)F)SCCO 62a_100009867690_100000211926 [0,2,0,0,0,0|1,1,0]=4 12823 B12R1.374 Cc1cc(c(cn1)O)SCCO 62a_100000211926_100009843476 [0,2,0,0,0,0|1,1,0]=4 12824 B12R1.374 Cc1cc(c(cn1)O)SCCO 62a_100009843476_100000211926 [0,2,0,0,0,0|1,1,0]=4 12825 B12R1.374 Cc1ccc(c(c1)NCCF)Br 34a_100000745044_100011217306 [0,2,0,0,0,0|2,0,0]=4 12826 B12R1.374 Cc1ccc(c(c1)NCCF)C 2230a_100000185781_100011217306 [0,2,0,0,0,0|2,0,0]=4 12827 B12R1.374 Cc1ccc(c(c1)NCCF)C 34a_100000185781_100011217306 [0,2,0,0,0,0|2,0,0]=4 12828 B12R1.374 Cc1ccc(c(c1)NCCF)C 7a_100000185781_100011217306 [0,2,0,0,0,0|2,0,0]=4 12829 B12R1.374 Cc1ccc(c(c1)NCCF)Cl 34a_100011215360_100011217306 [0,2,0,0,0,0|2,0,0]=4 12830 B12R1.374 Cc1ccc(c(c1)NCCF)F 34a_100000211285_100011217306 [0,2,0,0,0,0|2,0,0]=4 12831 B12R1.374 Cc1ccc(c(c1)NCCF)I 34a_100011216686_100011217306 [0,2,0,0,0,0|2,0,0]=4 12832 B12R1.374 Cc1ccc(c(c1)NCCF)O 34a_100011215204_100011217306 [0,2,0,0,0,0|2,0,0]=4 12833 B12R1.374 Cc1ccc(c(c1)NCCO)Br 34a_100000745044_100000211926 [0,2,0,0,0,0|1,0,0]=3 12834 B12R1.374 Cc1ccc(c(c1)NCCO)C 2230a_100000185781_100000211926 [0,2,0,0,0,0|1,0,0]=3 12835 B12R1.374 Cc1ccc(c(c1)NCCO)C 34a_100000185781_100000211926 [0,2,0,0,0,0|1,0,0]=3 12836 B12R1.374 Cc1ccc(c(c1)NCCO)C 7a_100000185781_100000211926 [0,2,0,0,0,0|1,0,0]=3 12837 B12R1.374 Cc1ccc(c(c1)NCCO)Cl 34a_100011215360_100000211926 [0,2,0,0,0,0|1,0,0]=3 12838 B12R1.374 Cc1ccc(c(c1)NCCO)F 34a_100000211285_100000211926 [0,2,0,0,0,0|1,0,0]=3 12839 B12R1.374 Cc1ccc(c(c1)NCCO)I 34a_100011216686_100000211926 [0,2,0,0,0,0|1,0,0]=3 12840 B12R1.374 Cc1ccc(c(c1)NCCO)O 34a_100011215204_100000211926 [0,2,0,0,0,0|1,0,0]=3 12841 B12R1.374 Cc1ccc(c(c1)OCC#N)Br 7a_100012002257_100011215382 [0,2,0,0,0,0|1,0,1]=4 12842 B12R1.374 Cc1ccc(c(c1)OCC#N)C 7a_100000210931_100011215382 [0,2,0,0,0,0|1,0,1]=4 12843 B12R1.374 Cc1ccc(c(c1)OCC#N)Cl 7a_100000211493_100011215382 [0,2,0,0,0,0|1,0,1]=4 12844 B12R1.374 Cc1ccc(c(c1)OCC#N)F 7a_100000759540_100011215382 [0,2,0,0,0,0|1,0,1]=4 12845 B12R1.374 Cc1ccc(c(c1)OCC#N)N 7a_100000211527_100011215382 [0,2,0,0,0,0|1,0,1]=4 12846 B12R1.374 Cc1ccc(c(c1)OCC=O)Br 34a_100012002257_200009817547 [0,2,0,0,0,0|0,0,2]=4 12847 B12R1.374 Cc1ccc(c(c1)OCC=O)Br 7a_100012002257_200015260668 [0,2,0,0,0,0|0,0,2]=4 12848 B12R1.374 Cc1ccc(c(c1)OCC=O)C 34a_100000210931_200009817547 [0,2,0,0,0,0|0,0,2]=4 12849 B12R1.374 Cc1ccc(c(c1)OCC=O)C 7a_100000210931_200015260668 [0,2,0,0,0,0|0,0,2]=4 12850 B12R1.374 Cc1ccc(c(c1)OCC=O)Cl 34a_100000211493_200009817547 [0,2,0,0,0,0|0,0,2]=4 12851 B12R1.374 Cc1ccc(c(c1)OCC=O)Cl 7a_100000211493_200015260668 [0,2,0,0,0,0|0,0,2]=4 12852 B12R1.374 Cc1ccc(c(c1)OCC=O)F 34a_100000759540_200009817547 [0,2,0,0,0,0|0,0,2]=4 12853 B12R1.374 Cc1ccc(c(c1)OCC=O)F 7a_100000759540_200015260668 [0,2,0,0,0,0|0,0,2]=4 12854 B12R1.374 Cc1ccc(c(c1)OCC=O)N 34a_100000211527_200009817547 [0,2,0,0,0,0|0,0,2]=4 12855 B12R1.374 Cc1ccc(c(c1)OCC=O)N 7a_100000211527_200015260668 [0,2,0,0,0,0|0,0,2]=4 12856 B12R1.374 Cc1ccc(c(c1)OCCF)Br 34a_100012002257_100011217306 [0,2,0,0,0,0|1,0,0]=3 12857 B12R1.374 Cc1ccc(c(c1)OCCF)Br 7a_100012002257_100011217306 [0,2,0,0,0,0|1,0,0]=3 12858 B12R1.374 Cc1ccc(c(c1)OCCF)C 34a_100000210931_100011217306 [0,2,0,0,0,0|1,0,0]=3 12859 B12R1.374 Cc1ccc(c(c1)OCCF)C 7a_100000210931_100011217306 [0,2,0,0,0,0|1,0,0]=3 12860 B12R1.374 Cc1ccc(c(c1)OCCF)Cl 34a_100000211493_100011217306 [0,2,0,0,0,0|1,0,0]=3 12861 B12R1.374 Cc1ccc(c(c1)OCCF)Cl 7a_100000211493_100011217306 [0,2,0,0,0,0|1,0,0]=3 12862 B12R1.374 Cc1ccc(c(c1)OCCF)F 34a_100000759540_100011217306 [0,2,0,0,0,0|1,0,0]=3 12863 B12R1.374 Cc1ccc(c(c1)OCCF)F 7a_100000759540_100011217306 [0,2,0,0,0,0|1,0,0]=3 12864 B12R1.374 Cc1ccc(c(c1)OCCF)N 34a_100000211527_100011217306 [0,2,0,0,0,0|1,0,0]=3 12865 B12R1.374 Cc1ccc(c(c1)OCCF)N 7a_100000211527_100011217306 [0,2,0,0,0,0|1,0,0]=3 12866 B12R1.374 Cc1ccc(c(c1)OCCO)Br 34a_100012002257_100000211926 [0,2,0,0,0,0|0,0,0]=2 12867 B12R1.374 Cc1ccc(c(c1)OCCO)Br 7a_100012002257_100000211926 [0,2,0,0,0,0|0,0,0]=2 12868 B12R1.374 Cc1ccc(c(c1)OCCO)C 34a_100000210931_100000211926 [0,2,0,0,0,0|0,0,0]=2 12869 B12R1.374 Cc1ccc(c(c1)OCCO)C 7a_100000210931_100000211926 [0,2,0,0,0,0|0,0,0]=2 12870 B12R1.374 Cc1ccc(c(c1)OCCO)Cl 34a_100000211493_100000211926 [0,2,0,0,0,0|0,0,0]=2 12871 B12R1.374 Cc1ccc(c(c1)OCCO)Cl 7a_100000211493_100000211926 [0,2,0,0,0,0|0,0,0]=2 12872 B12R1.374 Cc1ccc(c(c1)OCCO)F 34a_100000759540_100000211926 [0,2,0,0,0,0|0,0,0]=2 12873 B12R1.374 Cc1ccc(c(c1)OCCO)F 7a_100000759540_100000211926 [0,2,0,0,0,0|0,0,0]=2 12874 B12R1.374 Cc1ccc(c(c1)OCCO)N 34a_100000211527_100000211926 [0,2,0,0,0,0|0,0,0]=2 12875 B12R1.374 Cc1ccc(c(c1)OCCO)N 7a_100000211527_100000211926 [0,2,0,0,0,0|0,0,0]=2 12876 B12R1.374 Cc1ccc(c(c1)SCCF)Br 62a_100011217306_100012353751 [0,2,0,0,0,0|1,1,0]=4 12877 B12R1.374 Cc1ccc(c(c1)SCCF)Br 62a_100012353751_100011217306 [0,2,0,0,0,0|1,1,0]=4 12878 B12R1.374 Cc1ccc(c(c1)SCCF)C 62a_100000210833_100011217306 [0,2,0,0,0,0|1,1,0]=4 12879 B12R1.374 Cc1ccc(c(c1)SCCF)C 62a_100011217306_100000210833 [0,2,0,0,0,0|1,1,0]=4 12880 B12R1.374 Cc1ccc(c(c1)SCCF)Cl 62a_100011217306_100012356289 [0,2,0,0,0,0|1,1,0]=4 12881 B12R1.374 Cc1ccc(c(c1)SCCF)Cl 62a_100012356289_100011217306 [0,2,0,0,0,0|1,1,0]=4 12882 B12R1.374 Cc1ccc(c(c1)SCCF)F 62a_100000736223_100011217306 [0,2,0,0,0,0|1,1,0]=4 12883 B12R1.374 Cc1ccc(c(c1)SCCF)F 62a_100011217306_100000736223 [0,2,0,0,0,0|1,1,0]=4 12884 B12R1.374 Cc1ccc(c(c1)SCCF)N 62a_100011217306_100011356834 [0,2,0,0,0,0|1,1,0]=4 12885 B12R1.374 Cc1ccc(c(c1)SCCF)N 62a_100011356834_100011217306 [0,2,0,0,0,0|1,1,0]=4 12886 B12R1.374 Cc1ccc(c(c1)SCCF)O 62a_100000765521_100011217306 [0,2,0,0,0,0|1,1,0]=4 12887 B12R1.374 Cc1ccc(c(c1)SCCF)O 62a_100011217306_100000765521 [0,2,0,0,0,0|1,1,0]=4 12888 B12R1.374 Cc1ccc(c(c1)SCCO)Br 62a_100000211926_100012353751 [0,2,0,0,0,0|0,1,0]=3 12889 B12R1.374 Cc1ccc(c(c1)SCCO)Br 62a_100012353751_100000211926 [0,2,0,0,0,0|0,1,0]=3 12890 B12R1.374 Cc1ccc(c(c1)SCCO)C 62a_100000210833_100000211926 [0,2,0,0,0,0|0,1,0]=3 12891 B12R1.374 Cc1ccc(c(c1)SCCO)C 62a_100000211926_100000210833 [0,2,0,0,0,0|0,1,0]=3 12892 B12R1.374 Cc1ccc(c(c1)SCCO)Cl 62a_100000211926_100012356289 [0,2,0,0,0,0|0,1,0]=3 12893 B12R1.374 Cc1ccc(c(c1)SCCO)Cl 62a_100012356289_100000211926 [0,2,0,0,0,0|0,1,0]=3 12894 B12R1.374 Cc1ccc(c(c1)SCCO)F 62a_100000211926_100000736223 [0,2,0,0,0,0|0,1,0]=3 12895 B12R1.374 Cc1ccc(c(c1)SCCO)F 62a_100000736223_100000211926 [0,2,0,0,0,0|0,1,0]=3 12896 B12R1.374 Cc1ccc(c(c1)SCCO)N 62a_100000211926_100011356834 [0,2,0,0,0,0|0,1,0]=3 12897 B12R1.374 Cc1ccc(c(c1)SCCO)N 62a_100011356834_100000211926 [0,2,0,0,0,0|0,1,0]=3 12898 B12R1.374 Cc1ccc(c(c1)SCCO)O 62a_100000211926_100000765521 [0,2,0,0,0,0|0,1,0]=3 12899 B12R1.374 Cc1ccc(c(c1)SCCO)O 62a_100000765521_100000211926 [0,2,0,0,0,0|0,1,0]=3 12900 B12R1.374 Cc1ccc(c(n1)OCCF)Br 34a_100009817604_100011217306 [0,2,0,0,0,0|2,0,0]=4 12901 B12R1.374 Cc1ccc(c(n1)OCCF)N 34a_100000687486_100011217306 [0,2,0,0,0,0|2,0,0]=4 12902 B12R1.374 Cc1ccc(c(n1)OCCO)Br 34a_100009817604_100000211926 [0,2,0,0,0,0|1,0,0]=3 12903 B12R1.374 Cc1ccc(c(n1)OCCO)N 34a_100000687486_100000211926 [0,2,0,0,0,0|1,0,0]=3 12904 B12R1.374 Cc1ccc(c(n1)SCCO)C 62a_100000211926_100009854376 [0,2,0,0,0,0|1,1,0]=4 12905 B12R1.374 Cc1ccc(c(n1)SCCO)C 62a_100009854376_100000211926 [0,2,0,0,0,0|1,1,0]=4 12906 B12R1.374 Cc1ccc(c(n1)SCCO)F 62a_100000211926_100009817602 [0,2,0,0,0,0|1,1,0]=4 12907 B12R1.374 Cc1ccc(c(n1)SCCO)F 62a_100009817602_100000211926 [0,2,0,0,0,0|1,1,0]=4 12908 B12R1.374 Cc1ccc(c(n1)SCCO)N 62a_100000211926_100000685570 [0,2,0,0,0,0|1,1,0]=4 12909 B12R1.374 Cc1ccc(c(n1)SCCO)N 62a_100000685570_100000211926 [0,2,0,0,0,0|1,1,0]=4 12910 B12R1.374 Cc1ccc(c(n1)SCCO)O 62a_100000211926_100000702858 [0,2,0,0,0,0|1,1,0]=4 12911 B12R1.374 Cc1ccc(c(n1)SCCO)O 62a_100000702858_100000211926 [0,2,0,0,0,0|1,1,0]=4 12912 B12R1.374 Cc1ccc(cc1NCCF)Br 34a_100000741167_100011217306 [0,2,0,0,0,0|2,0,0]=4 12913 B12R1.374 Cc1ccc(cc1NCCF)Br 7a_100000741167_100011217306 [0,2,0,0,0,0|2,0,0]=4 12914 B12R1.374 Cc1ccc(cc1NCCF)Cl 34a_100000211374_100011217306 [0,2,0,0,0,0|2,0,0]=4 12915 B12R1.374 Cc1ccc(cc1NCCF)Cl 7a_100000211374_100011217306 [0,2,0,0,0,0|2,0,0]=4 12916 B12R1.374 Cc1ccc(cc1NCCF)F 34a_100000211107_100011217306 [0,2,0,0,0,0|2,0,0]=4 12917 B12R1.374 Cc1ccc(cc1NCCF)F 7a_100000211107_100011217306 [0,2,0,0,0,0|2,0,0]=4 12918 B12R1.374 Cc1ccc(cc1NCCF)I 7a_100000761890_100011217306 [0,2,0,0,0,0|2,0,0]=4 12919 B12R1.374 Cc1ccc(cc1NCCF)O 34a_100011216113_100011217306 [0,2,0,0,0,0|2,0,0]=4 12920 B12R1.374 Cc1ccc(cc1NCCO)Br 34a_100000741167_100000211926 [0,2,0,0,0,0|1,0,0]=3 12921 B12R1.374 Cc1ccc(cc1NCCO)Br 7a_100000741167_100000211926 [0,2,0,0,0,0|1,0,0]=3 12922 B12R1.374 Cc1ccc(cc1NCCO)Cl 34a_100000211374_100000211926 [0,2,0,0,0,0|1,0,0]=3 12923 B12R1.374 Cc1ccc(cc1NCCO)Cl 7a_100000211374_100000211926 [0,2,0,0,0,0|1,0,0]=3 12924 B12R1.374 Cc1ccc(cc1NCCO)F 34a_100000211107_100000211926 [0,2,0,0,0,0|1,0,0]=3 12925 B12R1.374 Cc1ccc(cc1NCCO)F 7a_100000211107_100000211926 [0,2,0,0,0,0|1,0,0]=3 12926 B12R1.374 Cc1ccc(cc1NCCO)I 7a_100000761890_100000211926 [0,2,0,0,0,0|1,0,0]=3 12927 B12R1.374 Cc1ccc(cc1NCCO)O 34a_100011216113_100000211926 [0,2,0,0,0,0|1,0,0]=3 12928 B12R1.374 Cc1ccc(cc1OCC#N)Br 7a_100000685420_100011215382 [0,2,0,0,0,0|1,0,1]=4 12929 B12R1.374 Cc1ccc(cc1OCC#N)Cl 7a_100000756515_100011215382 [0,2,0,0,0,0|1,0,1]=4 12930 B12R1.374 Cc1ccc(cc1OCC#N)F 7a_100000690566_100011215382 [0,2,0,0,0,0|1,0,1]=4 12931 B12R1.374 Cc1ccc(cc1OCC#N)I 7a_100000766334_100011215382 [0,2,0,0,0,0|1,0,1]=4 12932 B12R1.374 Cc1ccc(cc1OCC#N)N 7a_100000759471_100011215382 [0,2,0,0,0,0|1,0,1]=4 12933 B12R1.374 Cc1ccc(cc1OCC=O)Br 34a_100000685420_200009817547 [0,2,0,0,0,0|0,0,2]=4 12934 B12R1.374 Cc1ccc(cc1OCC=O)Br 7a_100000685420_200015260668 [0,2,0,0,0,0|0,0,2]=4 12935 B12R1.374 Cc1ccc(cc1OCC=O)Cl 34a_100000756515_200009817547 [0,2,0,0,0,0|0,0,2]=4 12936 B12R1.374 Cc1ccc(cc1OCC=O)Cl 7a_100000756515_200015260668 [0,2,0,0,0,0|0,0,2]=4 12937 B12R1.374 Cc1ccc(cc1OCC=O)F 34a_100000690566_200009817547 [0,2,0,0,0,0|0,0,2]=4 12938 B12R1.374 Cc1ccc(cc1OCC=O)F 7a_100000690566_200015260668 [0,2,0,0,0,0|0,0,2]=4 12939 B12R1.374 Cc1ccc(cc1OCC=O)I 7a_100000766334_200015260668 [0,2,0,0,0,0|0,0,2]=4 12940 B12R1.374 Cc1ccc(cc1OCC=O)N 34a_100000759471_200009817547 [0,2,0,0,0,0|0,0,2]=4 12941 B12R1.374 Cc1ccc(cc1OCC=O)N 7a_100000759471_200015260668 [0,2,0,0,0,0|0,0,2]=4 12942 B12R1.374 Cc1ccc(cc1OCCF)Br 34a_100000685420_100011217306 [0,2,0,0,0,0|1,0,0]=3 12943 B12R1.374 Cc1ccc(cc1OCCF)Br 7a_100000685420_100011217306 [0,2,0,0,0,0|1,0,0]=3 12944 B12R1.374 Cc1ccc(cc1OCCF)Cl 34a_100000756515_100011217306 [0,2,0,0,0,0|1,0,0]=3 12945 B12R1.374 Cc1ccc(cc1OCCF)Cl 7a_100000756515_100011217306 [0,2,0,0,0,0|1,0,0]=3 12946 B12R1.374 Cc1ccc(cc1OCCF)F 34a_100000690566_100011217306 [0,2,0,0,0,0|1,0,0]=3 12947 B12R1.374 Cc1ccc(cc1OCCF)F 7a_100000690566_100011217306 [0,2,0,0,0,0|1,0,0]=3 12948 B12R1.374 Cc1ccc(cc1OCCF)I 7a_100000766334_100011217306 [0,2,0,0,0,0|1,0,0]=3 12949 B12R1.374 Cc1ccc(cc1OCCF)N 34a_100000759471_100011217306 [0,2,0,0,0,0|1,0,0]=3 12950 B12R1.374 Cc1ccc(cc1OCCF)N 7a_100000759471_100011217306 [0,2,0,0,0,0|1,0,0]=3 12951 B12R1.374 Cc1ccc(cc1OCCO)Br 34a_100000685420_100000211926 [0,2,0,0,0,0|0,0,0]=2 12952 B12R1.374 Cc1ccc(cc1OCCO)Br 7a_100000685420_100000211926 [0,2,0,0,0,0|0,0,0]=2 12953 B12R1.374 Cc1ccc(cc1OCCO)Cl 34a_100000756515_100000211926 [0,2,0,0,0,0|0,0,0]=2 12954 B12R1.374 Cc1ccc(cc1OCCO)Cl 7a_100000756515_100000211926 [0,2,0,0,0,0|0,0,0]=2 12955 B12R1.374 Cc1ccc(cc1OCCO)F 34a_100000690566_100000211926 [0,2,0,0,0,0|0,0,0]=2 12956 B12R1.374 Cc1ccc(cc1OCCO)F 7a_100000690566_100000211926 [0,2,0,0,0,0|0,0,0]=2 12957 B12R1.374 Cc1ccc(cc1OCCO)I 7a_100000766334_100000211926 [0,2,0,0,0,0|0,0,0]=2 12958 B12R1.374 Cc1ccc(cc1OCCO)N 34a_100000759471_100000211926 [0,2,0,0,0,0|0,0,0]=2 12959 B12R1.374 Cc1ccc(cc1OCCO)N 7a_100000759471_100000211926 [0,2,0,0,0,0|0,0,0]=2 12960 B12R1.374 Cc1ccc(cc1SCCF)Br 62a_100011217306_100011344865 [0,2,0,0,0,0|1,1,0]=4 12961 B12R1.374 Cc1ccc(cc1SCCF)Br 62a_100011344865_100011217306 [0,2,0,0,0,0|1,1,0]=4 12962 B12R1.374 Cc1ccc(cc1SCCF)Cl 62a_100011217306_100011263213 [0,2,0,0,0,0|1,1,0]=4 12963 B12R1.374 Cc1ccc(cc1SCCF)Cl 62a_100011263213_100011217306 [0,2,0,0,0,0|1,1,0]=4 12964 B12R1.374 Cc1ccc(cc1SCCF)F 62a_100011217306_100011218078 [0,2,0,0,0,0|1,1,0]=4 12965 B12R1.374 Cc1ccc(cc1SCCF)F 62a_100011218078_100011217306 [0,2,0,0,0,0|1,1,0]=4 12966 B12R1.374 Cc1ccc(cc1SCCF)N 62a_100000736455_100011217306 [0,2,0,0,0,0|1,1,0]=4 12967 B12R1.374 Cc1ccc(cc1SCCF)N 62a_100011217306_100000736455 [0,2,0,0,0,0|1,1,0]=4 12968 B12R1.374 Cc1ccc(cc1SCCF)O 62a_100011217306_100011380479 [0,2,0,0,0,0|1,1,0]=4 12969 B12R1.374 Cc1ccc(cc1SCCF)O 62a_100011380479_100011217306 [0,2,0,0,0,0|1,1,0]=4 12970 B12R1.374 Cc1ccc(cc1SCCO)Br 62a_100000211926_100011344865 [0,2,0,0,0,0|0,1,0]=3 12971 B12R1.374 Cc1ccc(cc1SCCO)Br 62a_100011344865_100000211926 [0,2,0,0,0,0|0,1,0]=3 12972 B12R1.374 Cc1ccc(cc1SCCO)Cl 62a_100000211926_100011263213 [0,2,0,0,0,0|0,1,0]=3 12973 B12R1.374 Cc1ccc(cc1SCCO)Cl 62a_100011263213_100000211926 [0,2,0,0,0,0|0,1,0]=3 12974 B12R1.374 Cc1ccc(cc1SCCO)F 62a_100000211926_100011218078 [0,2,0,0,0,0|0,1,0]=3 12975 B12R1.374 Cc1ccc(cc1SCCO)F 62a_100011218078_100000211926 [0,2,0,0,0,0|0,1,0]=3 12976 B12R1.374 Cc1ccc(cc1SCCO)N 62a_100000211926_100000736455 [0,2,0,0,0,0|0,1,0]=3 12977 B12R1.374 Cc1ccc(cc1SCCO)N 62a_100000736455_100000211926 [0,2,0,0,0,0|0,1,0]=3 12978 B12R1.374 Cc1ccc(cc1SCCO)O 62a_100000211926_100011380479 [0,2,0,0,0,0|0,1,0]=3 12979 B12R1.374 Cc1ccc(cc1SCCO)O 62a_100011380479_100000211926 [0,2,0,0,0,0|0,1,0]=3 12980 B12R1.374 Cc1ccc(nc1SCCO)N 62a_100000126722_100000211926 [0,2,0,0,0,0|1,1,0]=4 12981 B12R1.374 Cc1ccc(nc1SCCO)N 62a_100000211926_100000126722 [0,2,0,0,0,0|1,1,0]=4 12982 B12R1.374 Cc1cnc(c(c1)NCCO)F 27a_100000210304_100009820679 [0,2,0,0,0,0|2,0,0]=4 12983 B12R1.374 Cc1cnc(c(c1)OCCF)Cl 34a_100012000487_100011217306 [0,2,0,0,0,0|2,0,0]=4 12984 B12R1.374 Cc1cnc(c(c1)OCCF)Cl 7a_100012000487_100011217306 [0,2,0,0,0,0|2,0,0]=4 12985 B12R1.374 Cc1cnc(c(c1)OCCF)F 34a_100009849810_100011217306 [0,2,0,0,0,0|2,0,0]=4 12986 B12R1.374 Cc1cnc(c(c1)OCCF)F 7a_100009849810_100011217306 [0,2,0,0,0,0|2,0,0]=4 12987 B12R1.374 Cc1cnc(c(c1)OCCO)Cl 34a_100012000487_100000211926 [0,2,0,0,0,0|1,0,0]=3 12988 B12R1.374 Cc1cnc(c(c1)OCCO)Cl 7a_100012000487_100000211926 [0,2,0,0,0,0|1,0,0]=3 12989 B12R1.374 Cc1cnc(c(c1)OCCO)F 34a_100009849810_100000211926 [0,2,0,0,0,0|1,0,0]=3 12990 B12R1.374 Cc1cnc(c(c1)OCCO)F 7a_100009849810_100000211926 [0,2,0,0,0,0|1,0,0]=3 12991 B12R1.374 Cc1cnc(c(c1)SCCO)C 62a_100000211926_100009817436 [0,2,0,0,0,0|1,1,0]=4 12992 B12R1.374 Cc1cnc(c(c1)SCCO)C 62a_100009817436_100000211926 [0,2,0,0,0,0|1,1,0]=4 12993 B12R1.374 Cc1cnc(c(c1)SCCO)Cl 62a_100000211926_100010210167 [0,2,0,0,0,0|1,1,0]=4 12994 B12R1.374 Cc1cnc(c(c1)SCCO)Cl 62a_100010210167_100000211926 [0,2,0,0,0,0|1,1,0]=4 12995 B12R1.374 Cc1cnc(c(c1)SCCO)F 62a_100000049784_100000211926 [0,2,0,0,0,0|1,1,0]=4 12996 B12R1.374 Cc1cnc(c(c1)SCCO)F 62a_100000211926_100000049784 [0,2,0,0,0,0|1,1,0]=4 12997 B12R1.374 Cc1cnc(c(c1)SCCO)N 62a_100000049664_100000211926 [0,2,0,0,0,0|1,1,0]=4 12998 B12R1.374 Cc1cnc(c(c1)SCCO)N 62a_100000211926_100000049664 [0,2,0,0,0,0|1,1,0]=4 12999 B12R1.374 Cc1cnc(c(c1)SCCO)O 62a_100000211926_100000719714 [0,2,0,0,0,0|1,1,0]=4 13000 B12R1.374 Cc1cnc(c(c1)SCCO)O 62a_100000719714_100000211926 [0,2,0,0,0,0|1,1,0]=4 13001 B12R1.374 Cc1cnc(cc1NCCO)F 27a_100000210304_100000049870 [0,2,0,0,0,0|2,0,0]=4 13002 B12R1.374 Cc1cnc(cc1OCCF)Br 34a_100000704368_100011217306 [0,2,0,0,0,0|2,0,0]=4 13003 B12R1.374 Cc1cnc(cc1OCCF)Br 7a_100000704368_100011217306 [0,2,0,0,0,0|2,0,0]=4 13004 B12R1.374 Cc1cnc(cc1OCCO)Br 34a_100000704368_100000211926 [0,2,0,0,0,0|1,0,0]=3 13005 B12R1.374 Cc1cnc(cc1OCCO)Br 7a_100000704368_100000211926 [0,2,0,0,0,0|1,0,0]=3 13006 B12R1.374 Cc1cnc(cc1SCCO)Br 62a_100000211926_100010067628 [0,2,0,0,0,0|1,1,0]=4 13007 B12R1.374 Cc1cnc(cc1SCCO)Br 62a_100010067628_100000211926 [0,2,0,0,0,0|1,1,0]=4 13008 B12R1.374 Cc1cnc(cc1SCCO)Cl 62a_100000211926_100010068021 [0,2,0,0,0,0|1,1,0]=4 13009 B12R1.374 Cc1cnc(cc1SCCO)Cl 62a_100010068021_100000211926 [0,2,0,0,0,0|1,1,0]=4 13010 B12R1.374 Cc1cnc(cc1SCCO)F 62a_100000049870_100000211926 [0,2,0,0,0,0|1,1,0]=4 13011 B12R1.374 Cc1cnc(cc1SCCO)F 62a_100000211926_100000049870 [0,2,0,0,0,0|1,1,0]=4 13012 B12R1.374 Cc1cnc(cc1SCCO)N 62a_100000211926_100009819938 [0,2,0,0,0,0|1,1,0]=4 13013 B12R1.374 Cc1cnc(cc1SCCO)N 62a_100009819938_100000211926 [0,2,0,0,0,0|1,1,0]=4 13014 B12R1.374 Cc1cnc(cc1SCCO)O 62a_100000211926_100009831917 [0,2,0,0,0,0|1,1,0]=4 13015 B12R1.374 Cc1cnc(cc1SCCO)O 62a_100009831917_100000211926 [0,2,0,0,0,0|1,1,0]=4 13016 B12R1.374 Cc1ncc(cc1OCCF)Br 34a_100009864810_100011217306 [0,2,0,0,0,0|2,0,0]=4 13017 B12R1.374 Cc1ncc(cc1OCCF)Br 7a_100009864810_100011217306 [0,2,0,0,0,0|2,0,0]=4 13018 B12R1.374 Cc1ncc(cc1OCCO)Br 34a_100009864810_100000211926 [0,2,0,0,0,0|1,0,0]=3 13019 B12R1.374 Cc1ncc(cc1OCCO)Br 7a_100009864810_100000211926 [0,2,0,0,0,0|1,0,0]=3 13020 B12R1.374 Cc1ncc(cc1SCCO)Br 62a_100000211926_200010090566 [0,2,0,0,0,0|1,1,0]=4 13021 B12R1.374 Cc1ncc(cc1SCCO)Br 62a_200010090566_100000211926 [0,2,0,0,0,0|1,1,0]=4 13022 B12R1.374 Cc1ncc(cc1SCCO)F 62a_100000211926_100009860710 [0,2,0,0,0,0|1,1,0]=4 13023 B12R1.374 Cc1ncc(cc1SCCO)F 62a_100009860710_100000211926 [0,2,0,0,0,0|1,1,0]=4 13024 B12R1.374 Cc1ncc(cc1SCCO)N 62a_100000211926_100011998591 [0,2,0,0,0,0|1,1,0]=4 13025 B12R1.374 Cc1ncc(cc1SCCO)N 62a_100011998591_100000211926 [0,2,0,0,0,0|1,1,0]=4 13026 B12R1.374 Cc1ncc(cc1SCCO)O 62a_100000211926_100009819603 [0,2,0,0,0,0|1,1,0]=4 13027 B12R1.374 Cc1ncc(cc1SCCO)O 62a_100009819603_100000211926 [0,2,0,0,0,0|1,1,0]=4 13028 B12R1.374 Cn1ccc(=O)c(c1)SCCO 62a_100000211926_100010750718 [0,2,0,0,0,0|1,1,0]=4 13029 B12R1.374 Cn1ccc(=O)c(c1)SCCO 62a_100010750718_100000211926 [0,2,0,0,0,0|1,1,0]=4 13030 B12R1.374 FCCNc1cc(ccc1Br)Br 34a_100000737762_100011217306 [0,2,0,0,0,0|2,0,0]=4 13031 B12R1.374 FCCNc1cc(ccc1Br)Cl 34a_100000687073_100011217306 [0,2,0,0,0,0|2,0,0]=4 13032 B12R1.374 FCCNc1cc(ccc1Br)F 34a_100000687223_100011217306 [0,2,0,0,0,0|2,0,0]=4 13033 B12R1.374 FCCNc1cc(ccc1Cl)Br 34a_100000750497_100011217306 [0,2,0,0,0,0|2,0,0]=4 13034 B12R1.374 FCCNc1cc(ccc1Cl)Cl 34a_100000184485_100011217306 [0,2,0,0,0,0|2,0,0]=4 13035 B12R1.374 FCCNc1cc(ccc1Cl)F 34a_100000751338_100011217306 [0,2,0,0,0,0|2,0,0]=4 13036 B12R1.374 FCCNc1cc(ccc1Cl)I 34a_200000761891_100011217306 [0,2,0,0,0,0|2,0,0]=4 13037 B12R1.374 FCCNc1cc(ccc1F)Br 34a_100000740924_100011217306 [0,2,0,0,0,0|2,0,0]=4 13038 B12R1.374 FCCNc1cc(ccc1F)Cl 34a_100000212115_100011217306 [0,2,0,0,0,0|2,0,0]=4 13039 B12R1.374 FCCNc1cc(ccc1F)F 34a_100000210742_100011217306 [0,2,0,0,0,0|2,0,0]=4 13040 B12R1.374 FCCNc1cc(ccc1F)I 34a_100011464823_100011217306 [0,2,0,0,0,0|2,0,0]=4 13041 B12R1.374 FCCNc1cc(ccc1I)Br 34a_100000743836_100011217306 [0,2,0,0,0,0|2,0,0]=4 13042 B12R1.374 FCCNc1cc(ccc1I)Cl 34a_100000761886_100011217306 [0,2,0,0,0,0|2,0,0]=4 13043 B12R1.374 FCCNc1cc(ccc1I)F 34a_100011218093_100011217306 [0,2,0,0,0,0|2,0,0]=4 13044 B12R1.374 FCCOc1cc(ccc1Br)Br 34a_100011220040_100011217306 [0,2,0,0,0,0|1,0,0]=3 13045 B12R1.374 FCCOc1cc(ccc1Br)Br 7a_100011220040_100011217306 [0,2,0,0,0,0|1,0,0]=3 13046 B12R1.374 FCCOc1cc(ccc1Br)Cl 34a_100012339455_100011217306 [0,2,0,0,0,0|1,0,0]=3 13047 B12R1.374 FCCOc1cc(ccc1Br)Cl 7a_100012339455_100011217306 [0,2,0,0,0,0|1,0,0]=3 13048 B12R1.374 FCCOc1cc(ccc1Br)F 34a_100000690578_100011217306 [0,2,0,0,0,0|1,0,0]=3 13049 B12R1.374 FCCOc1cc(ccc1Br)F 7a_100000690578_100011217306 [0,2,0,0,0,0|1,0,0]=3 13050 B12R1.374 FCCOc1cc(ccc1Br)I 34a_100012356990_100011217306 [0,2,0,0,0,0|1,0,0]=3 13051 B12R1.374 FCCOc1cc(ccc1Br)I 7a_100012356990_100011217306 [0,2,0,0,0,0|1,0,0]=3 13052 B12R1.374 FCCOc1cc(ccc1Cl)Br 34a_100000738945_100011217306 [0,2,0,0,0,0|1,0,0]=3 13053 B12R1.374 FCCOc1cc(ccc1Cl)Br 7a_100000738945_100011217306 [0,2,0,0,0,0|1,0,0]=3 13054 B12R1.374 FCCOc1cc(ccc1Cl)Cl 34a_100000211422_100011217306 [0,2,0,0,0,0|1,0,0]=3 13055 B12R1.374 FCCOc1cc(ccc1Cl)Cl 7a_100000211422_100011217306 [0,2,0,0,0,0|1,0,0]=3 13056 B12R1.374 FCCOc1cc(ccc1Cl)F 34a_100000692107_100011217306 [0,2,0,0,0,0|1,0,0]=3 13057 B12R1.374 FCCOc1cc(ccc1Cl)F 7a_100000692107_100011217306 [0,2,0,0,0,0|1,0,0]=3 13058 B12R1.374 FCCOc1cc(ccc1Cl)I 34a_100011356854_100011217306 [0,2,0,0,0,0|1,0,0]=3 13059 B12R1.374 FCCOc1cc(ccc1Cl)I 7a_100011356854_100011217306 [0,2,0,0,0,0|1,0,0]=3 13060 B12R1.374 FCCOc1cc(ccc1F)Br 34a_100000686035_100011217306 [0,2,0,0,0,0|1,0,0]=3 13061 B12R1.374 FCCOc1cc(ccc1F)Br 7a_100000686035_100011217306 [0,2,0,0,0,0|1,0,0]=3 13062 B12R1.374 FCCOc1cc(ccc1F)Cl 34a_100000757397_100011217306 [0,2,0,0,0,0|1,0,0]=3 13063 B12R1.374 FCCOc1cc(ccc1F)Cl 7a_100000757397_100011217306 [0,2,0,0,0,0|1,0,0]=3 13064 B12R1.374 FCCOc1cc(ccc1F)F 34a_100000752141_100011217306 [0,2,0,0,0,0|1,0,0]=3 13065 B12R1.374 FCCOc1cc(ccc1F)F 7a_100000752141_100011217306 [0,2,0,0,0,0|1,0,0]=3 13066 B12R1.374 FCCOc1cc(ccc1F)I 34a_100009958187_100011217306 [0,2,0,0,0,0|1,0,0]=3 13067 B12R1.374 FCCOc1cc(ccc1F)I 7a_100009958187_100011217306 [0,2,0,0,0,0|1,0,0]=3 13068 B12R1.374 FCCOc1cc(ccc1I)Br 34a_100012344904_100011217306 [0,2,0,0,0,0|1,0,0]=3 13069 B12R1.374 FCCOc1cc(ccc1I)Br 7a_100012344904_100011217306 [0,2,0,0,0,0|1,0,0]=3 13070 B12R1.374 FCCOc1cc(ccc1I)Cl 34a_100000050036_100011217306 [0,2,0,0,0,0|1,0,0]=3 13071 B12R1.374 FCCOc1cc(ccc1I)Cl 7a_100000050036_100011217306 [0,2,0,0,0,0|1,0,0]=3 13072 B12R1.374 FCCOc1cc(ccc1I)F 34a_100010084537_100011217306 [0,2,0,0,0,0|1,0,0]=3 13073 B12R1.374 FCCOc1cc(ccc1I)F 7a_100010084537_100011217306 [0,2,0,0,0,0|1,0,0]=3 13074 B12R1.374 FCCOc1cc(cnc1Br)Cl 34a_100000697010_100011217306 [0,2,0,0,0,0|2,0,0]=4 13075 B12R1.374 FCCOc1cc(cnc1Br)Cl 7a_100000697010_100011217306 [0,2,0,0,0,0|2,0,0]=4 13076 B12R1.374 FCCOc1cc(cnc1Br)F 34a_100009820119_100011217306 [0,2,0,0,0,0|2,0,0]=4 13077 B12R1.374 FCCOc1cc(cnc1Br)F 7a_100009820119_100011217306 [0,2,0,0,0,0|2,0,0]=4 13078 B12R1.374 FCCOc1cc(cnc1Cl)Br 34a_100012354860_100011217306 [0,2,0,0,0,0|2,0,0]=4 13079 B12R1.374 FCCOc1cc(cnc1Cl)Br 7a_100012354860_100011217306 [0,2,0,0,0,0|2,0,0]=4 13080 B12R1.374 FCCOc1cc(cnc1Cl)F 34a_100000079967_100011217306 [0,2,0,0,0,0|2,0,0]=4 13081 B12R1.374 FCCOc1cc(cnc1Cl)F 7a_100000079967_100011217306 [0,2,0,0,0,0|2,0,0]=4 13082 B12R1.374 FCCOc1cc(cnc1F)Br 34a_100009819871_100011217306 [0,2,0,0,0,0|2,0,0]=4 13083 B12R1.374 FCCOc1cc(cnc1F)Br 7a_100009819871_100011217306 [0,2,0,0,0,0|2,0,0]=4 13084 B12R1.374 FCCOc1cc(cnc1F)Cl 34a_100000094372_100011217306 [0,2,0,0,0,0|2,0,0]=4 13085 B12R1.374 FCCOc1cc(cnc1F)Cl 7a_100000094372_100011217306 [0,2,0,0,0,0|2,0,0]=4 13086 B12R1.374 FCCOc1cc(cnc1I)Br 34a_100010210634_100011217306 [0,2,0,0,0,0|2,0,0]=4 13087 B12R1.374 FCCOc1cc(cnc1I)Br 7a_100010210634_100011217306 [0,2,0,0,0,0|2,0,0]=4 13088 B12R1.374 FCCOc1cc(cnc1I)Cl 34a_100010233512_100011217306 [0,2,0,0,0,0|2,0,0]=4 13089 B12R1.374 FCCOc1cc(cnc1I)Cl 7a_100010233512_100011217306 [0,2,0,0,0,0|2,0,0]=4 13090 B12R1.374 FCCOc1cc(cnc1I)F 34a_100015624800_100011217306 [0,2,0,0,0,0|2,0,0]=4 13091 B12R1.374 FCCOc1cc(cnc1I)F 7a_100015624800_100011217306 [0,2,0,0,0,0|2,0,0]=4 13092 B12R1.374 FCCOc1cc(ncc1Br)Br 34a_100010235016_100011217306 [0,2,0,0,0,0|2,0,0]=4 13093 B12R1.374 FCCOc1cc(ncc1Br)Cl 34a_100010173860_100011217306 [0,2,0,0,0,0|2,0,0]=4 13094 B12R1.374 FCCOc1cc(ncc1Cl)Br 34a_100010173861_100011217306 [0,2,0,0,0,0|2,0,0]=4 13095 B12R1.374 FCCOc1cc(ncc1F)Br 34a_100009854642_100011217306 [0,2,0,0,0,0|2,0,0]=4 13096 B12R1.374 FCCOc1cc(ncc1F)Cl 34a_100009851168_100011217306 [0,2,0,0,0,0|2,0,0]=4 13097 B12R1.374 FCCOc1nc(ccc1F)Cl 34a_100010729010_100011217306 [0,2,0,0,0,0|2,0,0]=4 13098 B12R1.374 FCCSc1cc(ccc1Br)Br 62a_100011217306_100011483371 [0,2,0,0,0,0|1,1,0]=4 13099 B12R1.374 FCCSc1cc(ccc1Br)Br 62a_100011483371_100011217306 [0,2,0,0,0,0|1,1,0]=4 13100 B12R1.374 FCCSc1cc(ccc1Br)Cl 62a_100011217306_100012339723 [0,2,0,0,0,0|1,1,0]=4 13101 B12R1.374 FCCSc1cc(ccc1Br)Cl 62a_100012339723_100011217306 [0,2,0,0,0,0|1,1,0]=4 13102 B12R1.374 FCCSc1cc(ccc1Br)F 62a_100011217306_100011217576 [0,2,0,0,0,0|1,1,0]=4 13103 B12R1.374 FCCSc1cc(ccc1Br)F 62a_100011217576_100011217306 [0,2,0,0,0,0|1,1,0]=4 13104 B12R1.374 FCCSc1cc(ccc1Cl)Br 62a_100011217306_100011772130 [0,2,0,0,0,0|1,1,0]=4 13105 B12R1.374 FCCSc1cc(ccc1Cl)Br 62a_100011772130_100011217306 [0,2,0,0,0,0|1,1,0]=4 13106 B12R1.374 FCCSc1cc(ccc1Cl)Cl 62a_100000707729_100011217306 [0,2,0,0,0,0|1,1,0]=4 13107 B12R1.374 FCCSc1cc(ccc1Cl)Cl 62a_100011217306_100000707729 [0,2,0,0,0,0|1,1,0]=4 13108 B12R1.374 FCCSc1cc(ccc1Cl)F 62a_100011217299_100011217306 [0,2,0,0,0,0|1,1,0]=4 13109 B12R1.374 FCCSc1cc(ccc1Cl)F 62a_100011217306_100011217299 [0,2,0,0,0,0|1,1,0]=4 13110 B12R1.374 FCCSc1cc(ccc1F)Br 62a_100011217306_100011217312 [0,2,0,0,0,0|1,1,0]=4 13111 B12R1.374 FCCSc1cc(ccc1F)Br 62a_100011217312_100011217306 [0,2,0,0,0,0|1,1,0]=4 13112 B12R1.374 FCCSc1cc(ccc1F)Cl 62a_100011217306_100011218116 [0,2,0,0,0,0|1,1,0]=4 13113 B12R1.374 FCCSc1cc(ccc1F)Cl 62a_100011218116_100011217306 [0,2,0,0,0,0|1,1,0]=4 13114 B12R1.374 FCCSc1cc(ccc1F)F 62a_100011217306_100011219198 [0,2,0,0,0,0|1,1,0]=4 13115 B12R1.374 FCCSc1cc(ccc1F)F 62a_100011219198_100011217306 [0,2,0,0,0,0|1,1,0]=4 13116 B12R1.374 N#CCOc1cc(ccc1Br)Br 7a_100011220040_100011215382 [0,2,0,0,0,0|1,0,1]=4 13117 B12R1.374 N#CCOc1cc(ccc1Br)Cl 7a_100012339455_100011215382 [0,2,0,0,0,0|1,0,1]=4 13118 B12R1.374 N#CCOc1cc(ccc1Br)F 7a_100000690578_100011215382 [0,2,0,0,0,0|1,0,1]=4 13119 B12R1.374 N#CCOc1cc(ccc1Br)I 7a_100012356990_100011215382 [0,2,0,0,0,0|1,0,1]=4 13120 B12R1.374 N#CCOc1cc(ccc1Cl)Br 7a_100000738945_100011215382 [0,2,0,0,0,0|1,0,1]=4 13121 B12R1.374 N#CCOc1cc(ccc1Cl)Cl 7a_100000211422_100011215382 [0,2,0,0,0,0|1,0,1]=4 13122 B12R1.374 N#CCOc1cc(ccc1Cl)F 7a_100000692107_100011215382 [0,2,0,0,0,0|1,0,1]=4 13123 B12R1.374 N#CCOc1cc(ccc1Cl)I 7a_100011356854_100011215382 [0,2,0,0,0,0|1,0,1]=4 13124 B12R1.374 N#CCOc1cc(ccc1F)Br 7a_100000686035_100011215382 [0,2,0,0,0,0|1,0,1]=4 13125 B12R1.374 N#CCOc1cc(ccc1F)Cl 7a_100000757397_100011215382 [0,2,0,0,0,0|1,0,1]=4 13126 B12R1.374 N#CCOc1cc(ccc1F)F 7a_100000752141_100011215382 [0,2,0,0,0,0|1,0,1]=4 13127 B12R1.374 N#CCOc1cc(ccc1F)I 7a_100009958187_100011215382 [0,2,0,0,0,0|1,0,1]=4 13128 B12R1.374 N#CCOc1cc(ccc1F)N 7a_100012017398_100011215382 [0,2,0,0,0,0|1,0,1]=4 13129 B12R1.374 N#CCOc1cc(ccc1I)Br 7a_100012344904_100011215382 [0,2,0,0,0,0|1,0,1]=4 13130 B12R1.374 N#CCOc1cc(ccc1I)Cl 7a_100000050036_100011215382 [0,2,0,0,0,0|1,0,1]=4 13131 B12R1.374 N#CCOc1cc(ccc1I)F 7a_100010084537_100011215382 [0,2,0,0,0,0|1,0,1]=4 13132 B12R1.374 N#CCOc1cc(ccc1N)Br 7a_100000739049_100011215382 [0,2,0,0,0,0|1,0,1]=4 13133 B12R1.374 N#CCOc1cc(ccc1N)Cl 7a_100000185728_100011215382 [0,2,0,0,0,0|1,0,1]=4 13134 B12R1.374 N#CCOc1cc(ccc1N)F 7a_100000753323_100011215382 [0,2,0,0,0,0|1,0,1]=4 13135 B12R1.374 N#CCOc1cc(ccc1N)I 7a_100000057187_100011215382 [0,2,0,0,0,0|1,0,1]=4 13136 B12R1.374 Nc1cc(c(cn1)Cl)SCCO 62a_100000211926_100010134119 [0,2,0,0,0,0|1,1,0]=4 13137 B12R1.374 Nc1cc(c(cn1)Cl)SCCO 62a_100010134119_100000211926 [0,2,0,0,0,0|1,1,0]=4 13138 B12R1.374 Nc1cc(c(cn1)F)SCCO 62a_100000211926_100015713587 [0,2,0,0,0,0|1,1,0]=4 13139 B12R1.374 Nc1cc(c(cn1)F)SCCO 62a_100015713587_100000211926 [0,2,0,0,0,0|1,1,0]=4 13140 B12R1.374 Nc1ccc(c(c1)OCC=O)Cl 34a_100011934209_200009817547 [0,2,0,0,0,0|0,0,2]=4 13141 B12R1.374 Nc1ccc(c(c1)OCC=O)F 34a_100012017398_200009817547 [0,2,0,0,0,0|0,0,2]=4 13142 B12R1.374 Nc1ccc(c(c1)OCC=O)F 7a_100012017398_200015260668 [0,2,0,0,0,0|0,0,2]=4 13143 B12R1.374 Nc1ccc(c(c1)OCC=O)N 34a_100025717382_200009817547 [0,2,0,0,0,0|0,0,2]=4 13144 B12R1.374 Nc1ccc(c(c1)OCCF)Cl 34a_100011934209_100011217306 [0,2,0,0,0,0|1,0,0]=3 13145 B12R1.374 Nc1ccc(c(c1)OCCF)F 34a_100012017398_100011217306 [0,2,0,0,0,0|1,0,0]=3 13146 B12R1.374 Nc1ccc(c(c1)OCCF)F 7a_100012017398_100011217306 [0,2,0,0,0,0|1,0,0]=3 13147 B12R1.374 Nc1ccc(c(c1)OCCF)N 34a_100025717382_100011217306 [0,2,0,0,0,0|1,0,0]=3 13148 B12R1.374 Nc1ccc(c(c1)OCCO)Cl 34a_100011934209_100000211926 [0,2,0,0,0,0|0,0,0]=2 13149 B12R1.374 Nc1ccc(c(c1)OCCO)F 34a_100012017398_100000211926 [0,2,0,0,0,0|0,0,0]=2 13150 B12R1.374 Nc1ccc(c(c1)OCCO)F 7a_100012017398_100000211926 [0,2,0,0,0,0|0,0,0]=2 13151 B12R1.374 Nc1ccc(c(c1)OCCO)N 34a_100025717382_100000211926 [0,2,0,0,0,0|0,0,0]=2 13152 B12R1.374 Nc1ccc(c(c1)SCCF)Br 62a_100000750459_100011217306 [0,2,0,0,0,0|1,1,0]=4 13153 B12R1.374 Nc1ccc(c(c1)SCCF)Br 62a_100011217306_100000750459 [0,2,0,0,0,0|1,1,0]=4 13154 B12R1.374 Nc1ccc(c(c1)SCCF)Cl 62a_100011217306_100012360549 [0,2,0,0,0,0|1,1,0]=4 13155 B12R1.374 Nc1ccc(c(c1)SCCF)Cl 62a_100012360549_100011217306 [0,2,0,0,0,0|1,1,0]=4 13156 B12R1.374 Nc1ccc(c(c1)SCCF)F 62a_100000760356_100011217306 [0,2,0,0,0,0|1,1,0]=4 13157 B12R1.374 Nc1ccc(c(c1)SCCF)F 62a_100011217306_100000760356 [0,2,0,0,0,0|1,1,0]=4 13158 B12R1.374 Nc1ccc(c(c1)SCCF)N 62a_100011217306_100011534242 [0,2,0,0,0,0|1,1,0]=4 13159 B12R1.374 Nc1ccc(c(c1)SCCF)N 62a_100011534242_100011217306 [0,2,0,0,0,0|1,1,0]=4 13160 B12R1.374 Nc1ccc(c(c1)SCCF)O 62a_100011217306_100011534360 [0,2,0,0,0,0|1,1,0]=4 13161 B12R1.374 Nc1ccc(c(c1)SCCF)O 62a_100011534360_100011217306 [0,2,0,0,0,0|1,1,0]=4 13162 B12R1.374 Nc1ccc(c(c1)SCCO)Br 62a_100000211926_100000750459 [0,2,0,0,0,0|0,1,0]=3 13163 B12R1.374 Nc1ccc(c(c1)SCCO)Br 62a_100000750459_100000211926 [0,2,0,0,0,0|0,1,0]=3 13164 B12R1.374 Nc1ccc(c(c1)SCCO)Cl 62a_100000211926_100012360549 [0,2,0,0,0,0|0,1,0]=3 13165 B12R1.374 Nc1ccc(c(c1)SCCO)Cl 62a_100012360549_100000211926 [0,2,0,0,0,0|0,1,0]=3 13166 B12R1.374 Nc1ccc(c(c1)SCCO)F 62a_100000211926_100000760356 [0,2,0,0,0,0|0,1,0]=3 13167 B12R1.374 Nc1ccc(c(c1)SCCO)F 62a_100000760356_100000211926 [0,2,0,0,0,0|0,1,0]=3 13168 B12R1.374 Nc1ccc(c(c1)SCCO)N 62a_100000211926_100011534242 [0,2,0,0,0,0|0,1,0]=3 13169 B12R1.374 Nc1ccc(c(c1)SCCO)N 62a_100011534242_100000211926 [0,2,0,0,0,0|0,1,0]=3 13170 B12R1.374 Nc1ccc(c(c1)SCCO)O 62a_100000211926_100011534360 [0,2,0,0,0,0|0,1,0]=3 13171 B12R1.374 Nc1ccc(c(c1)SCCO)O 62a_100011534360_100000211926 [0,2,0,0,0,0|0,1,0]=3 13172 B12R1.374 Nc1ccc(c(n1)SCCO)Br 62a_100000211926_100010192275 [0,2,0,0,0,0|1,1,0]=4 13173 B12R1.374 Nc1ccc(c(n1)SCCO)Br 62a_100010192275_100000211926 [0,2,0,0,0,0|1,1,0]=4 13174 B12R1.374 Nc1ccc(c(n1)SCCO)F 62a_100000211926_100010892222 [0,2,0,0,0,0|1,1,0]=4 13175 B12R1.374 Nc1ccc(c(n1)SCCO)F 62a_100010892222_100000211926 [0,2,0,0,0,0|1,1,0]=4 13176 B12R1.374 Nc1ccc(c(n1)SCCO)N 62a_100000211926_200009884323 [0,2,0,0,0,0|1,1,0]=4 13177 B12R1.374 Nc1ccc(c(n1)SCCO)N 62a_200009884323_100000211926 [0,2,0,0,0,0|1,1,0]=4 13178 B12R1.374 Nc1ccc(cc1OCC=O)Br 34a_100000739049_200009817547 [0,2,0,0,0,0|0,0,2]=4 13179 B12R1.374 Nc1ccc(cc1OCC=O)Br 7a_100000739049_200015260668 [0,2,0,0,0,0|0,0,2]=4 13180 B12R1.374 Nc1ccc(cc1OCC=O)Cl 34a_100000185728_200009817547 [0,2,0,0,0,0|0,0,2]=4 13181 B12R1.374 Nc1ccc(cc1OCC=O)Cl 7a_100000185728_200015260668 [0,2,0,0,0,0|0,0,2]=4 13182 B12R1.374 Nc1ccc(cc1OCC=O)F 34a_100000753323_200009817547 [0,2,0,0,0,0|0,0,2]=4 13183 B12R1.374 Nc1ccc(cc1OCC=O)F 7a_100000753323_200015260668 [0,2,0,0,0,0|0,0,2]=4 13184 B12R1.374 Nc1ccc(cc1OCC=O)I 34a_100000057187_200009817547 [0,2,0,0,0,0|0,0,2]=4 13185 B12R1.374 Nc1ccc(cc1OCC=O)I 7a_100000057187_200015260668 [0,2,0,0,0,0|0,0,2]=4 13186 B12R1.374 Nc1ccc(cc1OCCF)Br 34a_100000739049_100011217306 [0,2,0,0,0,0|1,0,0]=3 13187 B12R1.374 Nc1ccc(cc1OCCF)Br 7a_100000739049_100011217306 [0,2,0,0,0,0|1,0,0]=3 13188 B12R1.374 Nc1ccc(cc1OCCF)Cl 34a_100000185728_100011217306 [0,2,0,0,0,0|1,0,0]=3 13189 B12R1.374 Nc1ccc(cc1OCCF)Cl 7a_100000185728_100011217306 [0,2,0,0,0,0|1,0,0]=3 13190 B12R1.374 Nc1ccc(cc1OCCF)F 34a_100000753323_100011217306 [0,2,0,0,0,0|1,0,0]=3 13191 B12R1.374 Nc1ccc(cc1OCCF)F 7a_100000753323_100011217306 [0,2,0,0,0,0|1,0,0]=3 13192 B12R1.374 Nc1ccc(cc1OCCF)I 34a_100000057187_100011217306 [0,2,0,0,0,0|1,0,0]=3 13193 B12R1.374 Nc1ccc(cc1OCCF)I 7a_100000057187_100011217306 [0,2,0,0,0,0|1,0,0]=3 13194 B12R1.374 Nc1ccc(cc1OCCO)Br 34a_100000739049_100000211926 [0,2,0,0,0,0|0,0,0]=2 13195 B12R1.374 Nc1ccc(cc1OCCO)Br 7a_100000739049_100000211926 [0,2,0,0,0,0|0,0,0]=2 13196 B12R1.374 Nc1ccc(cc1OCCO)Cl 34a_100000185728_100000211926 [0,2,0,0,0,0|0,0,0]=2 13197 B12R1.374 Nc1ccc(cc1OCCO)Cl 7a_100000185728_100000211926 [0,2,0,0,0,0|0,0,0]=2 13198 B12R1.374 Nc1ccc(cc1OCCO)F 34a_100000753323_100000211926 [0,2,0,0,0,0|0,0,0]=2 13199 B12R1.374 Nc1ccc(cc1OCCO)F 7a_100000753323_100000211926 [0,2,0,0,0,0|0,0,0]=2 13200 B12R1.374 Nc1ccc(cc1OCCO)I 34a_100000057187_100000211926 [0,2,0,0,0,0|0,0,0]=2 13201 B12R1.374 Nc1ccc(cc1OCCO)I 7a_100000057187_100000211926 [0,2,0,0,0,0|0,0,0]=2 13202 B12R1.374 Nc1ccc(cc1SCCF)Br 62a_100000187925_100011217306 [0,2,0,0,0,0|1,1,0]=4 13203 B12R1.374 Nc1ccc(cc1SCCF)Br 62a_100011217306_100000187925 [0,2,0,0,0,0|1,1,0]=4 13204 B12R1.374 Nc1ccc(cc1SCCF)Cl 62a_100000761889_100011217306 [0,2,0,0,0,0|1,1,0]=4 13205 B12R1.374 Nc1ccc(cc1SCCF)Cl 62a_100011217306_100000761889 [0,2,0,0,0,0|1,1,0]=4 13206 B12R1.374 Nc1ccc(cc1SCCF)F 62a_100000760547_100011217306 [0,2,0,0,0,0|1,1,0]=4 13207 B12R1.374 Nc1ccc(cc1SCCF)F 62a_100011217306_100000760547 [0,2,0,0,0,0|1,1,0]=4 13208 B12R1.374 Nc1ccc(cc1SCCF)O 62a_100011217306_100012001276 [0,2,0,0,0,0|1,1,0]=4 13209 B12R1.374 Nc1ccc(cc1SCCF)O 62a_100012001276_100011217306 [0,2,0,0,0,0|1,1,0]=4 13210 B12R1.374 Nc1ccc(cc1SCCO)Br 62a_100000187925_100000211926 [0,2,0,0,0,0|0,1,0]=3 13211 B12R1.374 Nc1ccc(cc1SCCO)Br 62a_100000211926_100000187925 [0,2,0,0,0,0|0,1,0]=3 13212 B12R1.374 Nc1ccc(cc1SCCO)Cl 62a_100000211926_100000761889 [0,2,0,0,0,0|0,1,0]=3 13213 B12R1.374 Nc1ccc(cc1SCCO)Cl 62a_100000761889_100000211926 [0,2,0,0,0,0|0,1,0]=3 13214 B12R1.374 Nc1ccc(cc1SCCO)F 62a_100000211926_100000760547 [0,2,0,0,0,0|0,1,0]=3 13215 B12R1.374 Nc1ccc(cc1SCCO)F 62a_100000760547_100000211926 [0,2,0,0,0,0|0,1,0]=3 13216 B12R1.374 Nc1ccc(cc1SCCO)O 62a_100000211926_100012001276 [0,2,0,0,0,0|0,1,0]=3 13217 B12R1.374 Nc1ccc(cc1SCCO)O 62a_100012001276_100000211926 [0,2,0,0,0,0|0,1,0]=3 13218 B12R1.374 Nc1ccc(nc1NCCO)F 27a_100000210304_100009879877 [0,2,0,0,0,0|2,0,0]=4 13219 B12R1.374 Nc1ccc(nc1SCCO)Br 62a_100000211926_100010168765 [0,2,0,0,0,0|1,1,0]=4 13220 B12R1.374 Nc1ccc(nc1SCCO)Br 62a_100010168765_100000211926 [0,2,0,0,0,0|1,1,0]=4 13221 B12R1.374 Nc1ccc(nc1SCCO)Cl 62a_100000211926_100010233647 [0,2,0,0,0,0|1,1,0]=4 13222 B12R1.374 Nc1ccc(nc1SCCO)Cl 62a_100010233647_100000211926 [0,2,0,0,0,0|1,1,0]=4 13223 B12R1.374 Nc1ccc(nc1SCCO)F 62a_100000211926_100009879877 [0,2,0,0,0,0|1,1,0]=4 13224 B12R1.374 Nc1ccc(nc1SCCO)F 62a_100009879877_100000211926 [0,2,0,0,0,0|1,1,0]=4 13225 B12R1.374 Nc1cnc(c(c1)SCCO)Br 62a_100000211926_100010201102 [0,2,0,0,0,0|1,1,0]=4 13226 B12R1.374 Nc1cnc(c(c1)SCCO)Br 62a_100010201102_100000211926 [0,2,0,0,0,0|1,1,0]=4 13227 B12R1.374 Nc1cnc(c(c1)SCCO)Cl 62a_100000211926_100010253917 [0,2,0,0,0,0|1,1,0]=4 13228 B12R1.374 Nc1cnc(c(c1)SCCO)Cl 62a_100010253917_100000211926 [0,2,0,0,0,0|1,1,0]=4 13229 B12R1.374 Nc1cnc(c(c1)SCCO)F 62a_100000211926_100009840397 [0,2,0,0,0,0|1,1,0]=4 13230 B12R1.374 Nc1cnc(c(c1)SCCO)F 62a_100009840397_100000211926 [0,2,0,0,0,0|1,1,0]=4 13231 B12R1.374 Nc1cnc(c(c1)SCCO)N 62a_100000211926_200011934315 [0,2,0,0,0,0|1,1,0]=4 13232 B12R1.374 Nc1cnc(c(c1)SCCO)N 62a_200011934315_100000211926 [0,2,0,0,0,0|1,1,0]=4 13233 B12R1.374 Nc1cnc(cc1SCCO)Cl 62a_100000050123_100000211926 [0,2,0,0,0,0|1,1,0]=4 13234 B12R1.374 Nc1cnc(cc1SCCO)Cl 62a_100000211926_100000050123 [0,2,0,0,0,0|1,1,0]=4 13235 B12R1.374 Nc1ncc(cc1OCCF)Br 34a_100009819042_100011217306 [0,2,0,0,0,0|2,0,0]=4 13236 B12R1.374 Nc1ncc(cc1OCCF)Br 7a_100009819042_100011217306 [0,2,0,0,0,0|2,0,0]=4 13237 B12R1.374 Nc1ncc(cc1OCCF)Cl 34a_100000123674_100011217306 [0,2,0,0,0,0|2,0,0]=4 13238 B12R1.374 Nc1ncc(cc1OCCF)Cl 7a_100000123674_100011217306 [0,2,0,0,0,0|2,0,0]=4 13239 B12R1.374 Nc1ncc(cc1OCCF)F 34a_100000094369_100011217306 [0,2,0,0,0,0|2,0,0]=4 13240 B12R1.374 Nc1ncc(cc1OCCF)F 7a_100000094369_100011217306 [0,2,0,0,0,0|2,0,0]=4 13241 B12R1.374 Nc1ncc(cc1OCCO)Br 34a_100009819042_100000211926 [0,2,0,0,0,0|1,0,0]=3 13242 B12R1.374 Nc1ncc(cc1OCCO)Br 7a_100009819042_100000211926 [0,2,0,0,0,0|1,0,0]=3 13243 B12R1.374 Nc1ncc(cc1OCCO)Cl 34a_100000123674_100000211926 [0,2,0,0,0,0|1,0,0]=3 13244 B12R1.374 Nc1ncc(cc1OCCO)Cl 7a_100000123674_100000211926 [0,2,0,0,0,0|1,0,0]=3 13245 B12R1.374 Nc1ncc(cc1OCCO)F 34a_100000094369_100000211926 [0,2,0,0,0,0|1,0,0]=3 13246 B12R1.374 Nc1ncc(cc1OCCO)F 7a_100000094369_100000211926 [0,2,0,0,0,0|1,0,0]=3 13247 B12R1.374 Nc1ncc(cc1SCCO)Br 62a_100000211926_100000760472 [0,2,0,0,0,0|1,1,0]=4 13248 B12R1.374 Nc1ncc(cc1SCCO)Br 62a_100000760472_100000211926 [0,2,0,0,0,0|1,1,0]=4 13249 B12R1.374 Nc1ncc(cc1SCCO)Cl 62a_100000050159_100000211926 [0,2,0,0,0,0|1,1,0]=4 13250 B12R1.374 Nc1ncc(cc1SCCO)Cl 62a_100000211926_100000050159 [0,2,0,0,0,0|1,1,0]=4 13251 B12R1.374 Nc1ncc(cc1SCCO)F 62a_100000211926_100009814671 [0,2,0,0,0,0|1,1,0]=4 13252 B12R1.374 Nc1ncc(cc1SCCO)F 62a_100009814671_100000211926 [0,2,0,0,0,0|1,1,0]=4 13253 B12R1.374 O=CCOc1cc(ccc1Br)Br 34a_100011220040_200009817547 [0,2,0,0,0,0|0,0,2]=4 13254 B12R1.374 O=CCOc1cc(ccc1Br)Br 7a_100011220040_200015260668 [0,2,0,0,0,0|0,0,2]=4 13255 B12R1.374 O=CCOc1cc(ccc1Br)Cl 34a_100012339455_200009817547 [0,2,0,0,0,0|0,0,2]=4 13256 B12R1.374 O=CCOc1cc(ccc1Br)Cl 7a_100012339455_200015260668 [0,2,0,0,0,0|0,0,2]=4 13257 B12R1.374 O=CCOc1cc(ccc1Br)F 34a_100000690578_200009817547 [0,2,0,0,0,0|0,0,2]=4 13258 B12R1.374 O=CCOc1cc(ccc1Br)F 7a_100000690578_200015260668 [0,2,0,0,0,0|0,0,2]=4 13259 B12R1.374 O=CCOc1cc(ccc1Br)I 34a_100012356990_200009817547 [0,2,0,0,0,0|0,0,2]=4 13260 B12R1.374 O=CCOc1cc(ccc1Br)I 7a_100012356990_200015260668 [0,2,0,0,0,0|0,0,2]=4 13261 B12R1.374 O=CCOc1cc(ccc1Cl)Br 34a_100000738945_200009817547 [0,2,0,0,0,0|0,0,2]=4 13262 B12R1.374 O=CCOc1cc(ccc1Cl)Br 7a_100000738945_200015260668 [0,2,0,0,0,0|0,0,2]=4 13263 B12R1.374 O=CCOc1cc(ccc1Cl)Cl 34a_100000211422_200009817547 [0,2,0,0,0,0|0,0,2]=4 13264 B12R1.374 O=CCOc1cc(ccc1Cl)Cl 7a_100000211422_200015260668 [0,2,0,0,0,0|0,0,2]=4 13265 B12R1.374 O=CCOc1cc(ccc1Cl)F 34a_100000692107_200009817547 [0,2,0,0,0,0|0,0,2]=4 13266 B12R1.374 O=CCOc1cc(ccc1Cl)F 7a_100000692107_200015260668 [0,2,0,0,0,0|0,0,2]=4 13267 B12R1.374 O=CCOc1cc(ccc1Cl)I 34a_100011356854_200009817547 [0,2,0,0,0,0|0,0,2]=4 13268 B12R1.374 O=CCOc1cc(ccc1Cl)I 7a_100011356854_200015260668 [0,2,0,0,0,0|0,0,2]=4 13269 B12R1.374 O=CCOc1cc(ccc1F)Br 34a_100000686035_200009817547 [0,2,0,0,0,0|0,0,2]=4 13270 B12R1.374 O=CCOc1cc(ccc1F)Br 7a_100000686035_200015260668 [0,2,0,0,0,0|0,0,2]=4 13271 B12R1.374 O=CCOc1cc(ccc1F)Cl 34a_100000757397_200009817547 [0,2,0,0,0,0|0,0,2]=4 13272 B12R1.374 O=CCOc1cc(ccc1F)Cl 7a_100000757397_200015260668 [0,2,0,0,0,0|0,0,2]=4 13273 B12R1.374 O=CCOc1cc(ccc1F)F 34a_100000752141_200009817547 [0,2,0,0,0,0|0,0,2]=4 13274 B12R1.374 O=CCOc1cc(ccc1F)F 7a_100000752141_200015260668 [0,2,0,0,0,0|0,0,2]=4 13275 B12R1.374 O=CCOc1cc(ccc1F)I 34a_100009958187_200009817547 [0,2,0,0,0,0|0,0,2]=4 13276 B12R1.374 O=CCOc1cc(ccc1F)I 7a_100009958187_200015260668 [0,2,0,0,0,0|0,0,2]=4 13277 B12R1.374 O=CCOc1cc(ccc1I)Br 34a_100012344904_200009817547 [0,2,0,0,0,0|0,0,2]=4 13278 B12R1.374 O=CCOc1cc(ccc1I)Br 7a_100012344904_200015260668 [0,2,0,0,0,0|0,0,2]=4 13279 B12R1.374 O=CCOc1cc(ccc1I)Cl 34a_100000050036_200009817547 [0,2,0,0,0,0|0,0,2]=4 13280 B12R1.374 O=CCOc1cc(ccc1I)Cl 7a_100000050036_200015260668 [0,2,0,0,0,0|0,0,2]=4 13281 B12R1.374 O=CCOc1cc(ccc1I)F 34a_100010084537_200009817547 [0,2,0,0,0,0|0,0,2]=4 13282 B12R1.374 O=CCOc1cc(ccc1I)F 7a_100010084537_200015260668 [0,2,0,0,0,0|0,0,2]=4 13283 B12R1.374 O=c1[nH]cc(cc1SCCO)F 62a_100000211926_100009817720 [0,2,0,0,0,0|1,1,0]=4 13284 B12R1.374 O=c1[nH]cc(cc1SCCO)F 62a_100009817720_100000211926 [0,2,0,0,0,0|1,1,0]=4 13285 B12R1.374 O=c1cc(c(c[nH]1)Cl)OCCF 34a_100000069390_100011217306 [0,2,0,0,0,0|2,0,0]=4 13286 B12R1.374 O=c1cc(c(c[nH]1)Cl)OCCO 34a_100000069390_100000211926 [0,2,0,0,0,0|1,0,0]=3 13287 B12R1.374 O=c1cc(c(c[nH]1)F)SCCO 62a_100000211926_100009817642 [0,2,0,0,0,0|1,1,0]=4 13288 B12R1.374 O=c1cc(c(c[nH]1)F)SCCO 62a_100009817642_100000211926 [0,2,0,0,0,0|1,1,0]=4 13289 B12R1.374 OCCNc1cc(ccc1Br)Br 34a_100000737762_100000211926 [0,2,0,0,0,0|1,0,0]=3 13290 B12R1.374 OCCNc1cc(ccc1Br)Cl 34a_100000687073_100000211926 [0,2,0,0,0,0|1,0,0]=3 13291 B12R1.374 OCCNc1cc(ccc1Br)F 34a_100000687223_100000211926 [0,2,0,0,0,0|1,0,0]=3 13292 B12R1.374 OCCNc1cc(ccc1Br)O 34a_100011999798_100000211926 [0,2,0,0,0,0|1,0,0]=3 13293 B12R1.374 OCCNc1cc(ccc1Cl)Br 34a_100000750497_100000211926 [0,2,0,0,0,0|1,0,0]=3 13294 B12R1.374 OCCNc1cc(ccc1Cl)Cl 34a_100000184485_100000211926 [0,2,0,0,0,0|1,0,0]=3 13295 B12R1.374 OCCNc1cc(ccc1Cl)F 34a_100000751338_100000211926 [0,2,0,0,0,0|1,0,0]=3 13296 B12R1.374 OCCNc1cc(ccc1Cl)I 34a_200000761891_100000211926 [0,2,0,0,0,0|1,0,0]=3 13297 B12R1.374 OCCNc1cc(ccc1Cl)O 34a_100011934297_100000211926 [0,2,0,0,0,0|1,0,0]=3 13298 B12R1.374 OCCNc1cc(ccc1F)Br 34a_100000740924_100000211926 [0,2,0,0,0,0|1,0,0]=3 13299 B12R1.374 OCCNc1cc(ccc1F)Cl 34a_100000212115_100000211926 [0,2,0,0,0,0|1,0,0]=3 13300 B12R1.374 OCCNc1cc(ccc1F)F 34a_100000210742_100000211926 [0,2,0,0,0,0|1,0,0]=3 13301 B12R1.374 OCCNc1cc(ccc1F)I 34a_100011464823_100000211926 [0,2,0,0,0,0|1,0,0]=3 13302 B12R1.374 OCCNc1cc(ccc1F)O 34a_100012017239_100000211926 [0,2,0,0,0,0|1,0,0]=3 13303 B12R1.374 OCCNc1cc(ccc1I)Br 34a_100000743836_100000211926 [0,2,0,0,0,0|1,0,0]=3 13304 B12R1.374 OCCNc1cc(ccc1I)Cl 34a_100000761886_100000211926 [0,2,0,0,0,0|1,0,0]=3 13305 B12R1.374 OCCNc1cc(ccc1I)F 34a_100011218093_100000211926 [0,2,0,0,0,0|1,0,0]=3 13306 B12R1.374 OCCNc1cc(ccc1O)Br 34a_100000752626_100000211926 [0,2,0,0,0,0|1,0,0]=3 13307 B12R1.374 OCCNc1cc(ccc1O)Cl 34a_100000210500_100000211926 [0,2,0,0,0,0|1,0,0]=3 13308 B12R1.374 OCCNc1cc(ccc1O)F 34a_100000759472_100000211926 [0,2,0,0,0,0|1,0,0]=3 13309 B12R1.374 OCCNc1cc(cnc1F)Br 27a_100000210304_100010172738 [0,2,0,0,0,0|2,0,0]=4 13310 B12R1.374 OCCNc1cc(cnc1F)Cl 27a_100000210304_100010188783 [0,2,0,0,0,0|2,0,0]=4 13311 B12R1.374 OCCNc1cc(ncc1Br)Br 27a_100000210304_100010171693 [0,2,0,0,0,0|2,0,0]=4 13312 B12R1.374 OCCNc1cc(ncc1Cl)F 27a_100000210304_100009892587 [0,2,0,0,0,0|2,0,0]=4 13313 B12R1.374 OCCNc1cc(ncc1F)F 27a_100000210304_100010233071 [0,2,0,0,0,0|2,0,0]=4 13314 B12R1.374 OCCNc1nc(ccc1F)F 27a_100000210304_100010997973 [0,2,0,0,0,0|2,0,0]=4 13315 B12R1.374 OCCOc1cc(ccc1Br)Br 34a_100011220040_100000211926 [0,2,0,0,0,0|0,0,0]=2 13316 B12R1.374 OCCOc1cc(ccc1Br)Br 7a_100011220040_100000211926 [0,2,0,0,0,0|0,0,0]=2 13317 B12R1.374 OCCOc1cc(ccc1Br)Cl 34a_100012339455_100000211926 [0,2,0,0,0,0|0,0,0]=2 13318 B12R1.374 OCCOc1cc(ccc1Br)Cl 7a_100012339455_100000211926 [0,2,0,0,0,0|0,0,0]=2 13319 B12R1.374 OCCOc1cc(ccc1Br)F 34a_100000690578_100000211926 [0,2,0,0,0,0|0,0,0]=2 13320 B12R1.374 OCCOc1cc(ccc1Br)F 7a_100000690578_100000211926 [0,2,0,0,0,0|0,0,0]=2 13321 B12R1.374 OCCOc1cc(ccc1Br)I 34a_100012356990_100000211926 [0,2,0,0,0,0|0,0,0]=2 13322 B12R1.374 OCCOc1cc(ccc1Br)I 7a_100012356990_100000211926 [0,2,0,0,0,0|0,0,0]=2 13323 B12R1.374 OCCOc1cc(ccc1Cl)Br 34a_100000738945_100000211926 [0,2,0,0,0,0|0,0,0]=2 13324 B12R1.374 OCCOc1cc(ccc1Cl)Br 7a_100000738945_100000211926 [0,2,0,0,0,0|0,0,0]=2 13325 B12R1.374 OCCOc1cc(ccc1Cl)Cl 34a_100000211422_100000211926 [0,2,0,0,0,0|0,0,0]=2 13326 B12R1.374 OCCOc1cc(ccc1Cl)Cl 7a_100000211422_100000211926 [0,2,0,0,0,0|0,0,0]=2 13327 B12R1.374 OCCOc1cc(ccc1Cl)F 34a_100000692107_100000211926 [0,2,0,0,0,0|0,0,0]=2 13328 B12R1.374 OCCOc1cc(ccc1Cl)F 7a_100000692107_100000211926 [0,2,0,0,0,0|0,0,0]=2 13329 B12R1.374 OCCOc1cc(ccc1Cl)I 34a_100011356854_100000211926 [0,2,0,0,0,0|0,0,0]=2 13330 B12R1.374 OCCOc1cc(ccc1Cl)I 7a_100011356854_100000211926 [0,2,0,0,0,0|0,0,0]=2 13331 B12R1.374 OCCOc1cc(ccc1F)Br 34a_100000686035_100000211926 [0,2,0,0,0,0|0,0,0]=2 13332 B12R1.374 OCCOc1cc(ccc1F)Br 7a_100000686035_100000211926 [0,2,0,0,0,0|0,0,0]=2 13333 B12R1.374 OCCOc1cc(ccc1F)Cl 34a_100000757397_100000211926 [0,2,0,0,0,0|0,0,0]=2 13334 B12R1.374 OCCOc1cc(ccc1F)Cl 7a_100000757397_100000211926 [0,2,0,0,0,0|0,0,0]=2 13335 B12R1.374 OCCOc1cc(ccc1F)F 34a_100000752141_100000211926 [0,2,0,0,0,0|0,0,0]=2 13336 B12R1.374 OCCOc1cc(ccc1F)F 7a_100000752141_100000211926 [0,2,0,0,0,0|0,0,0]=2 13337 B12R1.374 OCCOc1cc(ccc1F)I 34a_100009958187_100000211926 [0,2,0,0,0,0|0,0,0]=2 13338 B12R1.374 OCCOc1cc(ccc1F)I 7a_100009958187_100000211926 [0,2,0,0,0,0|0,0,0]=2 13339 B12R1.374 OCCOc1cc(ccc1I)Br 34a_100012344904_100000211926 [0,2,0,0,0,0|0,0,0]=2 13340 B12R1.374 OCCOc1cc(ccc1I)Br 7a_100012344904_100000211926 [0,2,0,0,0,0|0,0,0]=2 13341 B12R1.374 OCCOc1cc(ccc1I)Cl 34a_100000050036_100000211926 [0,2,0,0,0,0|0,0,0]=2 13342 B12R1.374 OCCOc1cc(ccc1I)Cl 7a_100000050036_100000211926 [0,2,0,0,0,0|0,0,0]=2 13343 B12R1.374 OCCOc1cc(ccc1I)F 34a_100010084537_100000211926 [0,2,0,0,0,0|0,0,0]=2 13344 B12R1.374 OCCOc1cc(ccc1I)F 7a_100010084537_100000211926 [0,2,0,0,0,0|0,0,0]=2 13345 B12R1.374 OCCOc1cc(cnc1Br)Cl 34a_100000697010_100000211926 [0,2,0,0,0,0|1,0,0]=3 13346 B12R1.374 OCCOc1cc(cnc1Br)Cl 7a_100000697010_100000211926 [0,2,0,0,0,0|1,0,0]=3 13347 B12R1.374 OCCOc1cc(cnc1Br)F 34a_100009820119_100000211926 [0,2,0,0,0,0|1,0,0]=3 13348 B12R1.374 OCCOc1cc(cnc1Br)F 7a_100009820119_100000211926 [0,2,0,0,0,0|1,0,0]=3 13349 B12R1.374 OCCOc1cc(cnc1Cl)Br 34a_100012354860_100000211926 [0,2,0,0,0,0|1,0,0]=3 13350 B12R1.374 OCCOc1cc(cnc1Cl)Br 7a_100012354860_100000211926 [0,2,0,0,0,0|1,0,0]=3 13351 B12R1.374 OCCOc1cc(cnc1Cl)F 34a_100000079967_100000211926 [0,2,0,0,0,0|1,0,0]=3 13352 B12R1.374 OCCOc1cc(cnc1Cl)F 7a_100000079967_100000211926 [0,2,0,0,0,0|1,0,0]=3 13353 B12R1.374 OCCOc1cc(cnc1F)Br 34a_100009819871_100000211926 [0,2,0,0,0,0|1,0,0]=3 13354 B12R1.374 OCCOc1cc(cnc1F)Br 7a_100009819871_100000211926 [0,2,0,0,0,0|1,0,0]=3 13355 B12R1.374 OCCOc1cc(cnc1F)Cl 34a_100000094372_100000211926 [0,2,0,0,0,0|1,0,0]=3 13356 B12R1.374 OCCOc1cc(cnc1F)Cl 7a_100000094372_100000211926 [0,2,0,0,0,0|1,0,0]=3 13357 B12R1.374 OCCOc1cc(cnc1I)Br 34a_100010210634_100000211926 [0,2,0,0,0,0|1,0,0]=3 13358 B12R1.374 OCCOc1cc(cnc1I)Br 7a_100010210634_100000211926 [0,2,0,0,0,0|1,0,0]=3 13359 B12R1.374 OCCOc1cc(cnc1I)Cl 34a_100010233512_100000211926 [0,2,0,0,0,0|1,0,0]=3 13360 B12R1.374 OCCOc1cc(cnc1I)Cl 7a_100010233512_100000211926 [0,2,0,0,0,0|1,0,0]=3 13361 B12R1.374 OCCOc1cc(cnc1I)F 34a_100015624800_100000211926 [0,2,0,0,0,0|1,0,0]=3 13362 B12R1.374 OCCOc1cc(cnc1I)F 7a_100015624800_100000211926 [0,2,0,0,0,0|1,0,0]=3 13363 B12R1.374 OCCOc1cc(ncc1Br)Br 34a_100010235016_100000211926 [0,2,0,0,0,0|1,0,0]=3 13364 B12R1.374 OCCOc1cc(ncc1Br)Cl 34a_100010173860_100000211926 [0,2,0,0,0,0|1,0,0]=3 13365 B12R1.374 OCCOc1cc(ncc1Cl)Br 34a_100010173861_100000211926 [0,2,0,0,0,0|1,0,0]=3 13366 B12R1.374 OCCOc1cc(ncc1F)Br 34a_100009854642_100000211926 [0,2,0,0,0,0|1,0,0]=3 13367 B12R1.374 OCCOc1cc(ncc1F)Cl 34a_100009851168_100000211926 [0,2,0,0,0,0|1,0,0]=3 13368 B12R1.374 OCCOc1cc(nnc1Cl)Cl 34a_100011997201_100000211926 [0,2,0,0,0,0|2,0,0]=4 13369 B12R1.374 OCCOc1nc(ccc1F)Cl 34a_100010729010_100000211926 [0,2,0,0,0,0|1,0,0]=3 13370 B12R1.374 OCCOc1nc(ncc1F)Cl 34a_100011995740_100000211926 [0,2,0,0,0,0|2,0,0]=4 13371 B12R1.374 OCCSc1cc(ccc1Br)Br 62a_100000211926_100011483371 [0,2,0,0,0,0|0,1,0]=3 13372 B12R1.374 OCCSc1cc(ccc1Br)Br 62a_100011483371_100000211926 [0,2,0,0,0,0|0,1,0]=3 13373 B12R1.374 OCCSc1cc(ccc1Br)Cl 62a_100000211926_100012339723 [0,2,0,0,0,0|0,1,0]=3 13374 B12R1.374 OCCSc1cc(ccc1Br)Cl 62a_100012339723_100000211926 [0,2,0,0,0,0|0,1,0]=3 13375 B12R1.374 OCCSc1cc(ccc1Br)F 62a_100000211926_100011217576 [0,2,0,0,0,0|0,1,0]=3 13376 B12R1.374 OCCSc1cc(ccc1Br)F 62a_100011217576_100000211926 [0,2,0,0,0,0|0,1,0]=3 13377 B12R1.374 OCCSc1cc(ccc1Br)O 62a_100000211926_100012339312 [0,2,0,0,0,0|0,1,0]=3 13378 B12R1.374 OCCSc1cc(ccc1Br)O 62a_100012339312_100000211926 [0,2,0,0,0,0|0,1,0]=3 13379 B12R1.374 OCCSc1cc(ccc1Cl)Br 62a_100000211926_100011772130 [0,2,0,0,0,0|0,1,0]=3 13380 B12R1.374 OCCSc1cc(ccc1Cl)Br 62a_100011772130_100000211926 [0,2,0,0,0,0|0,1,0]=3 13381 B12R1.374 OCCSc1cc(ccc1Cl)Cl 62a_100000211926_100000707729 [0,2,0,0,0,0|0,1,0]=3 13382 B12R1.374 OCCSc1cc(ccc1Cl)Cl 62a_100000707729_100000211926 [0,2,0,0,0,0|0,1,0]=3 13383 B12R1.374 OCCSc1cc(ccc1Cl)F 62a_100000211926_100011217299 [0,2,0,0,0,0|0,1,0]=3 13384 B12R1.374 OCCSc1cc(ccc1Cl)F 62a_100011217299_100000211926 [0,2,0,0,0,0|0,1,0]=3 13385 B12R1.374 OCCSc1cc(ccc1Cl)O 62a_100000049588_100000211926 [0,2,0,0,0,0|0,1,0]=3 13386 B12R1.374 OCCSc1cc(ccc1Cl)O 62a_100000211926_100000049588 [0,2,0,0,0,0|0,1,0]=3 13387 B12R1.374 OCCSc1cc(ccc1F)Br 62a_100000211926_100011217312 [0,2,0,0,0,0|0,1,0]=3 13388 B12R1.374 OCCSc1cc(ccc1F)Br 62a_100011217312_100000211926 [0,2,0,0,0,0|0,1,0]=3 13389 B12R1.374 OCCSc1cc(ccc1F)Cl 62a_100000211926_100011218116 [0,2,0,0,0,0|0,1,0]=3 13390 B12R1.374 OCCSc1cc(ccc1F)Cl 62a_100011218116_100000211926 [0,2,0,0,0,0|0,1,0]=3 13391 B12R1.374 OCCSc1cc(ccc1F)F 62a_100000211926_100011219198 [0,2,0,0,0,0|0,1,0]=3 13392 B12R1.374 OCCSc1cc(ccc1F)F 62a_100011219198_100000211926 [0,2,0,0,0,0|0,1,0]=3 13393 B12R1.374 OCCSc1cc(ccc1F)O 62a_100000211926_100000693481 [0,2,0,0,0,0|0,1,0]=3 13394 B12R1.374 OCCSc1cc(ccc1F)O 62a_100000693481_100000211926 [0,2,0,0,0,0|0,1,0]=3 13395 B12R1.374 OCCSc1cc(ccc1O)Br 62a_100000211926_100012355227 [0,2,0,0,0,0|0,1,0]=3 13396 B12R1.374 OCCSc1cc(ccc1O)Br 62a_100012355227_100000211926 [0,2,0,0,0,0|0,1,0]=3 13397 B12R1.374 OCCSc1cc(ccc1O)Cl 62a_100000211926_100011356953 [0,2,0,0,0,0|0,1,0]=3 13398 B12R1.374 OCCSc1cc(ccc1O)Cl 62a_100011356953_100000211926 [0,2,0,0,0,0|0,1,0]=3 13399 B12R1.374 OCCSc1cc(ccc1O)F 62a_100000211926_100000211999 [0,2,0,0,0,0|0,1,0]=3 13400 B12R1.374 OCCSc1cc(ccc1O)F 62a_100000211999_100000211926 [0,2,0,0,0,0|0,1,0]=3 13401 B12R1.374 OCCSc1cc(ccc1O)O 62a_100000211926_100009813629 [0,2,0,0,0,0|0,1,0]=3 13402 B12R1.374 OCCSc1cc(cnc1Cl)Br 62a_100000211926_100009814771 [0,2,0,0,0,0|1,1,0]=4 13403 B12R1.374 OCCSc1cc(cnc1Cl)Br 62a_100009814771_100000211926 [0,2,0,0,0,0|1,1,0]=4 13404 B12R1.374 OCCSc1cc(cnc1Cl)Cl 62a_100000211926_200000062399 [0,2,0,0,0,0|1,1,0]=4 13405 B12R1.374 OCCSc1cc(cnc1Cl)Cl 62a_200000062399_100000211926 [0,2,0,0,0,0|1,1,0]=4 13406 B12R1.374 OCCSc1cc(cnc1F)Br 62a_100000211926_100010172738 [0,2,0,0,0,0|1,1,0]=4 13407 B12R1.374 OCCSc1cc(cnc1F)Br 62a_100010172738_100000211926 [0,2,0,0,0,0|1,1,0]=4 13408 B12R1.374 OCCSc1cc(cnc1F)Cl 62a_100000211926_100010188783 [0,2,0,0,0,0|1,1,0]=4 13409 B12R1.374 OCCSc1cc(cnc1F)Cl 62a_100010188783_100000211926 [0,2,0,0,0,0|1,1,0]=4 13410 B12R1.374 OCCSc1cc(cnc1F)F 62a_100000211926_100009820768 [0,2,0,0,0,0|1,1,0]=4 13411 B12R1.374 OCCSc1cc(cnc1F)F 62a_100009820768_100000211926 [0,2,0,0,0,0|1,1,0]=4 13412 B12R1.374 OCCSc1cc(cnc1F)O 62a_100000211926_100009817267 [0,2,0,0,0,0|1,1,0]=4 13413 B12R1.374 OCCSc1cc(cnc1F)O 62a_100009817267_100000211926 [0,2,0,0,0,0|1,1,0]=4 13414 B12R1.374 OCCSc1cc(cnc1O)Br 62a_100000211926_100010197142 [0,2,0,0,0,0|1,1,0]=4 13415 B12R1.374 OCCSc1cc(cnc1O)Br 62a_100010197142_100000211926 [0,2,0,0,0,0|1,1,0]=4 13416 B12R1.374 OCCSc1cc(cnc1O)Cl 62a_100000211926_100010188700 [0,2,0,0,0,0|1,1,0]=4 13417 B12R1.374 OCCSc1cc(cnc1O)Cl 62a_100010188700_100000211926 [0,2,0,0,0,0|1,1,0]=4 13418 B12R1.374 OCCSc1cc(ncc1Br)Br 62a_100000211926_100010171693 [0,2,0,0,0,0|1,1,0]=4 13419 B12R1.374 OCCSc1cc(ncc1Br)Br 62a_100010171693_100000211926 [0,2,0,0,0,0|1,1,0]=4 13420 B12R1.374 OCCSc1cc(ncc1Br)Cl 62a_100000211926_100009815598 [0,2,0,0,0,0|1,1,0]=4 13421 B12R1.374 OCCSc1cc(ncc1Br)Cl 62a_100009815598_100000211926 [0,2,0,0,0,0|1,1,0]=4 13422 B12R1.374 OCCSc1cc(ncc1Cl)Br 62a_100000211926_100010223331 [0,2,0,0,0,0|1,1,0]=4 13423 B12R1.374 OCCSc1cc(ncc1Cl)Br 62a_100010223331_100000211926 [0,2,0,0,0,0|1,1,0]=4 13424 B12R1.374 OCCSc1cc(ncc1Cl)Cl 62a_100000211926_100010172835 [0,2,0,0,0,0|1,1,0]=4 13425 B12R1.374 OCCSc1cc(ncc1Cl)Cl 62a_100010172835_100000211926 [0,2,0,0,0,0|1,1,0]=4 13426 B12R1.374 OCCSc1cc(ncc1Cl)F 62a_100000211926_100009892587 [0,2,0,0,0,0|1,1,0]=4 13427 B12R1.374 OCCSc1cc(ncc1Cl)F 62a_100009892587_100000211926 [0,2,0,0,0,0|1,1,0]=4 13428 B12R1.374 OCCSc1cc(ncc1F)Br 62a_100000211926_100010193852 [0,2,0,0,0,0|1,1,0]=4 13429 B12R1.374 OCCSc1cc(ncc1F)Br 62a_100010193852_100000211926 [0,2,0,0,0,0|1,1,0]=4 13430 B12R1.374 OCCSc1cc(ncc1F)Cl 62a_100000211926_100000708277 [0,2,0,0,0,0|1,1,0]=4 13431 B12R1.374 OCCSc1cc(ncc1F)Cl 62a_100000708277_100000211926 [0,2,0,0,0,0|1,1,0]=4 13432 B12R1.374 OCCSc1cc(ncc1F)F 62a_100000211926_100010233071 [0,2,0,0,0,0|1,1,0]=4 13433 B12R1.374 OCCSc1cc(ncc1F)F 62a_100010233071_100000211926 [0,2,0,0,0,0|1,1,0]=4 13434 B12R1.374 OCCSc1cc(ncc1O)Cl 62a_100000211926_100000698892 [0,2,0,0,0,0|1,1,0]=4 13435 B12R1.374 OCCSc1cc(ncc1O)Cl 62a_100000698892_100000211926 [0,2,0,0,0,0|1,1,0]=4 13436 B12R1.374 OCCSc1nc(ccc1F)Cl 62a_100000211926_100010136221 [0,2,0,0,0,0|1,1,0]=4 13437 B12R1.374 OCCSc1nc(ccc1F)Cl 62a_100010136221_100000211926 [0,2,0,0,0,0|1,1,0]=4 13438 B12R1.374 OCCSc1nc(ccc1F)F 62a_100000211926_100010997973 [0,2,0,0,0,0|1,1,0]=4 13439 B12R1.374 OCCSc1nc(ccc1F)F 62a_100010997973_100000211926 [0,2,0,0,0,0|1,1,0]=4 13440 B12R1.374 OCCSc1nc(ccc1O)Br 62a_100000211926_100010253912 [0,2,0,0,0,0|1,1,0]=4 13441 B12R1.374 OCCSc1nc(ccc1O)Br 62a_100010253912_100000211926 [0,2,0,0,0,0|1,1,0]=4 13442 B12R1.374 OCCSc1nc(ccc1O)Cl 62a_100000211926_100000696390 [0,2,0,0,0,0|1,1,0]=4 13443 B12R1.374 OCCSc1nc(ccc1O)F 62a_100000211926_100010382442 [0,2,0,0,0,0|1,1,0]=4 13444 B12R1.374 OCCSc1nc(ccc1O)F 62a_100010382442_100000211926 [0,2,0,0,0,0|1,1,0]=4 13445 B12R1.374 Oc1ccc(c(c1)NCCF)Br 34a_100011999798_100011217306 [0,2,0,0,0,0|2,0,0]=4 13446 B12R1.374 Oc1ccc(c(c1)NCCF)Cl 34a_100011934297_100011217306 [0,2,0,0,0,0|2,0,0]=4 13447 B12R1.374 Oc1ccc(c(c1)NCCF)F 34a_100012017239_100011217306 [0,2,0,0,0,0|2,0,0]=4 13448 B12R1.374 Oc1ccc(c(c1)SCCF)Br 62a_100011217306_100012339312 [0,2,0,0,0,0|1,1,0]=4 13449 B12R1.374 Oc1ccc(c(c1)SCCF)Br 62a_100012339312_100011217306 [0,2,0,0,0,0|1,1,0]=4 13450 B12R1.374 Oc1ccc(c(c1)SCCF)Cl 62a_100000049588_100011217306 [0,2,0,0,0,0|1,1,0]=4 13451 B12R1.374 Oc1ccc(c(c1)SCCF)Cl 62a_100011217306_100000049588 [0,2,0,0,0,0|1,1,0]=4 13452 B12R1.374 Oc1ccc(c(c1)SCCF)F 62a_100000693481_100011217306 [0,2,0,0,0,0|1,1,0]=4 13453 B12R1.374 Oc1ccc(c(c1)SCCF)F 62a_100011217306_100000693481 [0,2,0,0,0,0|1,1,0]=4 13454 B12R1.374 Oc1ccc(c(c1)SCCF)O 62a_100011217306_100009813629 [0,2,0,0,0,0|1,1,0]=4 13455 B12R1.374 Oc1ccc(cc1NCCF)Br 34a_100000752626_100011217306 [0,2,0,0,0,0|2,0,0]=4 13456 B12R1.374 Oc1ccc(cc1NCCF)Cl 34a_100000210500_100011217306 [0,2,0,0,0,0|2,0,0]=4 13457 B12R1.374 Oc1ccc(cc1NCCF)F 34a_100000759472_100011217306 [0,2,0,0,0,0|2,0,0]=4 13458 B12R1.374 Oc1ccc(cc1SCCF)Br 62a_100011217306_100012355227 [0,2,0,0,0,0|1,1,0]=4 13459 B12R1.374 Oc1ccc(cc1SCCF)Br 62a_100012355227_100011217306 [0,2,0,0,0,0|1,1,0]=4 13460 B12R1.374 Oc1ccc(cc1SCCF)Cl 62a_100011217306_100011356953 [0,2,0,0,0,0|1,1,0]=4 13461 B12R1.374 Oc1ccc(cc1SCCF)Cl 62a_100011356953_100011217306 [0,2,0,0,0,0|1,1,0]=4 13462 B12R1.374 Oc1ccc(cc1SCCF)F 62a_100000211999_100011217306 [0,2,0,0,0,0|1,1,0]=4 13463 B12R1.374 Oc1ccc(cc1SCCF)F 62a_100011217306_100000211999 [0,2,0,0,0,0|1,1,0]=4 13464 B12R1.1631 C#CCOc1c(cccc1Br)Br 34a_100000736428_100000184674 [0,2,0,0,0,0|1,0,1]=4 13465 B12R1.1631 C#CCOc1c(cccc1Br)Br 7a_100000736428_100000038162 [0,2,0,0,0,0|1,0,1]=4 13466 B12R1.1631 C#CCOc1c(cccc1Br)C 34a_100009817157_100000184674 [0,2,0,0,0,0|1,0,1]=4 13467 B12R1.1631 C#CCOc1c(cccc1Br)C 7a_100009817157_100000038162 [0,2,0,0,0,0|1,0,1]=4 13468 B12R1.1631 C#CCOc1c(cccc1Br)Cl 34a_100010214474_100000184674 [0,2,0,0,0,0|1,0,1]=4 13469 B12R1.1631 C#CCOc1c(cccc1Br)Cl 7a_100010214474_100000038162 [0,2,0,0,0,0|1,0,1]=4 13470 B12R1.1631 C#CCOc1c(cccc1Br)F 34a_100009813666_100000184674 [0,2,0,0,0,0|1,0,1]=4 13471 B12R1.1631 C#CCOc1c(cccc1Br)F 7a_100009813666_100000038162 [0,2,0,0,0,0|1,0,1]=4 13472 B12R1.1631 C#CCOc1c(cccc1Br)N 34a_100011934915_100000184674 [0,2,0,0,0,0|1,0,1]=4 13473 B12R1.1631 C#CCOc1c(cccc1C)C 34a_100000210341_100000184674 [0,2,0,0,0,0|1,0,1]=4 13474 B12R1.1631 C#CCOc1c(cccc1C)C 7a_100000210341_100000038162 [0,2,0,0,0,0|1,0,1]=4 13475 B12R1.1631 C#CCOc1c(cccc1Cl)C 34a_100000033731_100000184674 [0,2,0,0,0,0|1,0,1]=4 13476 B12R1.1631 C#CCOc1c(cccc1Cl)C 7a_100000033731_100000038162 [0,2,0,0,0,0|1,0,1]=4 13477 B12R1.1631 C#CCOc1c(cccc1Cl)Cl 34a_100000211709_100000184674 [0,2,0,0,0,0|1,0,1]=4 13478 B12R1.1631 C#CCOc1c(cccc1Cl)Cl 7a_100000211709_100000038162 [0,2,0,0,0,0|1,0,1]=4 13479 B12R1.1631 C#CCOc1c(cccc1Cl)F 34a_100000694953_100000184674 [0,2,0,0,0,0|1,0,1]=4 13480 B12R1.1631 C#CCOc1c(cccc1Cl)F 7a_100000694953_100000038162 [0,2,0,0,0,0|1,0,1]=4 13481 B12R1.1631 C#CCOc1c(cccc1Cl)N 34a_100000754742_100000184674 [0,2,0,0,0,0|1,0,1]=4 13482 B12R1.1631 C#CCOc1c(cccc1F)C 34a_100011659162_100000184674 [0,2,0,0,0,0|1,0,1]=4 13483 B12R1.1631 C#CCOc1c(cccc1F)C 7a_100011659162_100000038162 [0,2,0,0,0,0|1,0,1]=4 13484 B12R1.1631 C#CCOc1c(cccc1F)F 34a_100000230165_100000184674 [0,2,0,0,0,0|1,0,1]=4 13485 B12R1.1631 C#CCOc1c(cccc1F)F 7a_100000230165_100000038162 [0,2,0,0,0,0|1,0,1]=4 13486 B12R1.1631 C#CCOc1c(cccc1F)N 34a_100011934987_100000184674 [0,2,0,0,0,0|1,0,1]=4 13487 B12R1.1631 C#CCOc1c(cccc1I)Br 34a_100010084509_100000184674 [0,2,0,0,0,0|1,0,1]=4 13488 B12R1.1631 C#CCOc1c(cccc1I)Br 7a_100010084509_100000038162 [0,2,0,0,0,0|1,0,1]=4 13489 B12R1.1631 C#CCOc1c(cccc1I)Cl 34a_100010202889_100000184674 [0,2,0,0,0,0|1,0,1]=4 13490 B12R1.1631 C#CCOc1c(cccc1I)Cl 7a_100010202889_100000038162 [0,2,0,0,0,0|1,0,1]=4 13491 B12R1.1631 C#CCOc1c(cccc1I)F 34a_100010186298_100000184674 [0,2,0,0,0,0|1,0,1]=4 13492 B12R1.1631 C#CCOc1c(cccc1I)F 7a_100010186298_100000038162 [0,2,0,0,0,0|1,0,1]=4 13493 B12R1.1631 C#CCOc1c(cccc1I)N 34a_100010084371_100000184674 [0,2,0,0,0,0|1,0,1]=4 13494 B12R1.1631 C#CCOc1c(cccc1N)C 34a_100000756359_100000184674 [0,2,0,0,0,0|1,0,1]=4 13495 B12R1.1631 C#CCOc1c(cccc1N)C 7a_100000756359_100000038162 [0,2,0,0,0,0|1,0,1]=4 13496 B12R1.1631 C#CCOc1c(cccc1N)N 34a_200016994477_100000184674 [0,2,0,0,0,0|1,0,1]=4 13497 B12R1.1631 C=CCOc1c(cccc1Br)Br 34a_100000736428_100015514636 [0,2,0,0,0,0|1,0,1]=4 13498 B12R1.1631 C=CCOc1c(cccc1Br)Br 7a_100000736428_100015514636 [0,2,0,0,0,0|1,0,1]=4 13499 B12R1.1631 C=CCOc1c(cccc1Br)C 34a_100009817157_100015514636 [0,2,0,0,0,0|1,0,1]=4 13500 B12R1.1631 C=CCOc1c(cccc1Br)C 7a_100009817157_100015514636 [0,2,0,0,0,0|1,0,1]=4 13501 B12R1.1631 C=CCOc1c(cccc1Br)Cl 34a_100010214474_100015514636 [0,2,0,0,0,0|1,0,1]=4 13502 B12R1.1631 C=CCOc1c(cccc1Br)Cl 7a_100010214474_100015514636 [0,2,0,0,0,0|1,0,1]=4 13503 B12R1.1631 C=CCOc1c(cccc1Br)F 34a_100009813666_100015514636 [0,2,0,0,0,0|1,0,1]=4 13504 B12R1.1631 C=CCOc1c(cccc1Br)F 7a_100009813666_100015514636 [0,2,0,0,0,0|1,0,1]=4 13505 B12R1.1631 C=CCOc1c(cccc1Br)N 34a_100011934915_100015514636 [0,2,0,0,0,0|1,0,1]=4 13506 B12R1.1631 C=CCOc1c(cccc1C)C 34a_100000210341_100015514636 [0,2,0,0,0,0|1,0,1]=4 13507 B12R1.1631 C=CCOc1c(cccc1C)C 7a_100000210341_100015514636 [0,2,0,0,0,0|1,0,1]=4 13508 B12R1.1631 C=CCOc1c(cccc1Cl)C 34a_100000033731_100015514636 [0,2,0,0,0,0|1,0,1]=4 13509 B12R1.1631 C=CCOc1c(cccc1Cl)C 7a_100000033731_100015514636 [0,2,0,0,0,0|1,0,1]=4 13510 B12R1.1631 C=CCOc1c(cccc1Cl)Cl 34a_100000211709_100015514636 [0,2,0,0,0,0|1,0,1]=4 13511 B12R1.1631 C=CCOc1c(cccc1Cl)Cl 7a_100000211709_100015514636 [0,2,0,0,0,0|1,0,1]=4 13512 B12R1.1631 C=CCOc1c(cccc1Cl)F 34a_100000694953_100015514636 [0,2,0,0,0,0|1,0,1]=4 13513 B12R1.1631 C=CCOc1c(cccc1Cl)F 7a_100000694953_100015514636 [0,2,0,0,0,0|1,0,1]=4 13514 B12R1.1631 C=CCOc1c(cccc1Cl)N 34a_100000754742_100015514636 [0,2,0,0,0,0|1,0,1]=4 13515 B12R1.1631 C=CCOc1c(cccc1F)C 34a_100011659162_100015514636 [0,2,0,0,0,0|1,0,1]=4 13516 B12R1.1631 C=CCOc1c(cccc1F)C 7a_100011659162_100015514636 [0,2,0,0,0,0|1,0,1]=4 13517 B12R1.1631 C=CCOc1c(cccc1F)F 34a_100000230165_100015514636 [0,2,0,0,0,0|1,0,1]=4 13518 B12R1.1631 C=CCOc1c(cccc1F)F 7a_100000230165_100015514636 [0,2,0,0,0,0|1,0,1]=4 13519 B12R1.1631 C=CCOc1c(cccc1F)N 34a_100011934987_100015514636 [0,2,0,0,0,0|1,0,1]=4 13520 B12R1.1631 C=CCOc1c(cccc1I)Br 34a_100010084509_100015514636 [0,2,0,0,0,0|1,0,1]=4 13521 B12R1.1631 C=CCOc1c(cccc1I)Br 7a_100010084509_100015514636 [0,2,0,0,0,0|1,0,1]=4 13522 B12R1.1631 C=CCOc1c(cccc1I)Cl 34a_100010202889_100015514636 [0,2,0,0,0,0|1,0,1]=4 13523 B12R1.1631 C=CCOc1c(cccc1I)Cl 7a_100010202889_100015514636 [0,2,0,0,0,0|1,0,1]=4 13524 B12R1.1631 C=CCOc1c(cccc1I)F 34a_100010186298_100015514636 [0,2,0,0,0,0|1,0,1]=4 13525 B12R1.1631 C=CCOc1c(cccc1I)F 7a_100010186298_100015514636 [0,2,0,0,0,0|1,0,1]=4 13526 B12R1.1631 C=CCOc1c(cccc1I)N 34a_100010084371_100015514636 [0,2,0,0,0,0|1,0,1]=4 13527 B12R1.1631 C=CCOc1c(cccc1N)C 34a_100000756359_100015514636 [0,2,0,0,0,0|1,0,1]=4 13528 B12R1.1631 C=CCOc1c(cccc1N)C 7a_100000756359_100015514636 [0,2,0,0,0,0|1,0,1]=4 13529 B12R1.1631 C=CCOc1c(cccc1N)N 34a_200016994477_100015514636 [0,2,0,0,0,0|1,0,1]=4 13530 B12R1.1631 CCCCc1c(cccc1Br)Br 271570a_100020621405_100009994525 [0,2,0,0,0,0|2,0,0]=4 13531 B12R1.1631 CCCCc1c(cccc1Br)Cl 271570a_100020621405_100010214488 [0,2,0,0,0,0|2,0,0]=4 13532 B12R1.1631 CCCCc1c(cccc1Br)F 271570a_100020621405_100011219512 [0,2,0,0,0,0|2,0,0]=4 13533 B12R1.1631 CCCCc1c(cccc1Br)N 271570a_100020621405_100020590159 [0,2,0,0,0,0|2,0,0]=4 13534 B12R1.1631 CCCCc1c(cccc1Br)O 271570a_100020621405_100010187912 [0,2,0,0,0,0|2,0,0]=4 13535 B12R1.1631 CCCCc1c(cccc1C)C 271570a_100020621405_100000033847 [0,2,0,0,0,0|2,0,0]=4 13536 B12R1.1631 CCCCc1c(cccc1Cl)C 271570a_100020621405_100000043165 [0,2,0,0,0,0|2,0,0]=4 13537 B12R1.1631 CCCCc1c(cccc1Cl)Cl 271570a_100020621405_100000034237 [0,2,0,0,0,0|2,0,0]=4 13538 B12R1.1631 CCCCc1c(cccc1Cl)F 271570a_100020621405_100000050007 [0,2,0,0,0,0|2,0,0]=4 13539 B12R1.1631 CCCCc1c(cccc1Cl)N 271570a_100020621405_100000049713 [0,2,0,0,0,0|2,0,0]=4 13540 B12R1.1631 CCCCc1c(cccc1Cl)O 271570a_100020621405_100000050174 [0,2,0,0,0,0|2,0,0]=4 13541 B12R1.1631 CCCCc1c(cccc1F)C 271570a_100020621405_100012349962 [0,2,0,0,0,0|2,0,0]=4 13542 B12R1.1631 CCCCc1c(cccc1F)F 271570a_100020621405_100000693133 [0,2,0,0,0,0|2,0,0]=4 13543 B12R1.1631 CCCCc1c(cccc1F)N 271570a_100020621405_100011934729 [0,2,0,0,0,0|2,0,0]=4 13544 B12R1.1631 CCCCc1c(cccc1F)O 271570a_100020621405_100009820682 [0,2,0,0,0,0|2,0,0]=4 13545 B12R1.1631 CCCCc1c(cccc1N)C 271570a_100020621405_100000684715 [0,2,0,0,0,0|2,0,0]=4 13546 B12R1.1631 CCCCc1c(cccc1O)C 271570a_100020621405_100000686692 [0,2,0,0,0,0|2,0,0]=4 13547 B12R1.1631 CCCCc1c(cccc1O)N 271570a_100020621405_100012183704 [0,2,0,0,0,0|2,0,0]=4 13548 B12R1.1631 CCCCc1c(cccc1O)O 271570a_100020621405_100010205330 [0,2,0,0,0,0|2,0,0]=4 13549 B12R1.1631 CCCNc1c(cccc1Br)Br 34a_100000690995_100000210303 [0,2,0,0,0,0|2,0,0]=4 13550 B12R1.1631 CCCNc1c(cccc1Br)C 34a_100011834072_100000210303 [0,2,0,0,0,0|2,0,0]=4 13551 B12R1.1631 CCCNc1c(cccc1Br)Cl 34a_100102946385_100000210303 [0,2,0,0,0,0|2,0,0]=4 13552 B12R1.1631 CCCNc1c(cccc1Br)F 34a_100000684712_100000210303 [0,2,0,0,0,0|2,0,0]=4 13553 B12R1.1631 CCCNc1c(cccc1Br)O 34a_100011934926_100000210303 [0,2,0,0,0,0|2,0,0]=4 13554 B12R1.1631 CCCNc1c(cccc1C)C 34a_100000185769_100000210303 [0,2,0,0,0,0|2,0,0]=4 13555 B12R1.1631 CCCNc1c(cccc1Cl)C 34a_100000756524_100000210303 [0,2,0,0,0,0|2,0,0]=4 13556 B12R1.1631 CCCNc1c(cccc1Cl)Cl 34a_100000210028_100000210303 [0,2,0,0,0,0|2,0,0]=4 13557 B12R1.1631 CCCNc1c(cccc1Cl)F 34a_100000760031_100000210303 [0,2,0,0,0,0|2,0,0]=4 13558 B12R1.1631 CCCNc1c(cccc1Cl)O 34a_100012022510_100000210303 [0,2,0,0,0,0|2,0,0]=4 13559 B12R1.1631 CCCNc1c(cccc1F)C 34a_100000766463_100000210303 [0,2,0,0,0,0|2,0,0]=4 13560 B12R1.1631 CCCNc1c(cccc1F)F 2230a_100000210704_100000210303 [0,2,0,0,0,0|2,0,0]=4 13561 B12R1.1631 CCCNc1c(cccc1F)F 34a_100000210704_100000210303 [0,2,0,0,0,0|2,0,0]=4 13562 B12R1.1631 CCCNc1c(cccc1F)O 34a_100020591140_100000210303 [0,2,0,0,0,0|2,0,0]=4 13563 B12R1.1631 CCCNc1c(cccc1I)F 34a_100000042321_100000210303 [0,2,0,0,0,0|2,0,0]=4 13564 B12R1.1631 CCCNc1c(cccc1O)C 34a_100000743429_100000210303 [0,2,0,0,0,0|2,0,0]=4 13565 B12R1.1631 CCCOc1c(cccc1Br)Br 34a_100000736428_100000210303 [0,2,0,0,0,0|1,0,0]=3 13566 B12R1.1631 CCCOc1c(cccc1Br)Br 7a_100000736428_100000210303 [0,2,0,0,0,0|1,0,0]=3 13567 B12R1.1631 CCCOc1c(cccc1Br)C 34a_100009817157_100000210303 [0,2,0,0,0,0|1,0,0]=3 13568 B12R1.1631 CCCOc1c(cccc1Br)C 7a_100009817157_100000210303 [0,2,0,0,0,0|1,0,0]=3 13569 B12R1.1631 CCCOc1c(cccc1Br)Cl 34a_100010214474_100000210303 [0,2,0,0,0,0|1,0,0]=3 13570 B12R1.1631 CCCOc1c(cccc1Br)Cl 7a_100010214474_100000210303 [0,2,0,0,0,0|1,0,0]=3 13571 B12R1.1631 CCCOc1c(cccc1Br)F 34a_100009813666_100000210303 [0,2,0,0,0,0|1,0,0]=3 13572 B12R1.1631 CCCOc1c(cccc1Br)F 7a_100009813666_100000210303 [0,2,0,0,0,0|1,0,0]=3 13573 B12R1.1631 CCCOc1c(cccc1Br)N 34a_100011934915_100000210303 [0,2,0,0,0,0|1,0,0]=3 13574 B12R1.1631 CCCOc1c(cccc1C)C 34a_100000210341_100000210303 [0,2,0,0,0,0|1,0,0]=3 13575 B12R1.1631 CCCOc1c(cccc1C)C 7a_100000210341_100000210303 [0,2,0,0,0,0|1,0,0]=3 13576 B12R1.1631 CCCOc1c(cccc1Cl)C 34a_100000033731_100000210303 [0,2,0,0,0,0|1,0,0]=3 13577 B12R1.1631 CCCOc1c(cccc1Cl)C 7a_100000033731_100000210303 [0,2,0,0,0,0|1,0,0]=3 13578 B12R1.1631 CCCOc1c(cccc1Cl)Cl 34a_100000211709_100000210303 [0,2,0,0,0,0|1,0,0]=3 13579 B12R1.1631 CCCOc1c(cccc1Cl)Cl 7a_100000211709_100000210303 [0,2,0,0,0,0|1,0,0]=3 13580 B12R1.1631 CCCOc1c(cccc1Cl)F 34a_100000694953_100000210303 [0,2,0,0,0,0|1,0,0]=3 13581 B12R1.1631 CCCOc1c(cccc1Cl)F 7a_100000694953_100000210303 [0,2,0,0,0,0|1,0,0]=3 13582 B12R1.1631 CCCOc1c(cccc1Cl)N 34a_100000754742_100000210303 [0,2,0,0,0,0|1,0,0]=3 13583 B12R1.1631 CCCOc1c(cccc1F)C 34a_100011659162_100000210303 [0,2,0,0,0,0|1,0,0]=3 13584 B12R1.1631 CCCOc1c(cccc1F)C 7a_100011659162_100000210303 [0,2,0,0,0,0|1,0,0]=3 13585 B12R1.1631 CCCOc1c(cccc1F)F 34a_100000230165_100000210303 [0,2,0,0,0,0|1,0,0]=3 13586 B12R1.1631 CCCOc1c(cccc1F)F 7a_100000230165_100000210303 [0,2,0,0,0,0|1,0,0]=3 13587 B12R1.1631 CCCOc1c(cccc1F)N 34a_100011934987_100000210303 [0,2,0,0,0,0|1,0,0]=3 13588 B12R1.1631 CCCOc1c(cccc1I)Br 34a_100010084509_100000210303 [0,2,0,0,0,0|1,0,0]=3 13589 B12R1.1631 CCCOc1c(cccc1I)Br 7a_100010084509_100000210303 [0,2,0,0,0,0|1,0,0]=3 13590 B12R1.1631 CCCOc1c(cccc1I)Cl 34a_100010202889_100000210303 [0,2,0,0,0,0|1,0,0]=3 13591 B12R1.1631 CCCOc1c(cccc1I)Cl 7a_100010202889_100000210303 [0,2,0,0,0,0|1,0,0]=3 13592 B12R1.1631 CCCOc1c(cccc1I)F 34a_100010186298_100000210303 [0,2,0,0,0,0|1,0,0]=3 13593 B12R1.1631 CCCOc1c(cccc1I)F 7a_100010186298_100000210303 [0,2,0,0,0,0|1,0,0]=3 13594 B12R1.1631 CCCOc1c(cccc1I)N 34a_100010084371_100000210303 [0,2,0,0,0,0|1,0,0]=3 13595 B12R1.1631 CCCOc1c(cccc1N)C 34a_100000756359_100000210303 [0,2,0,0,0,0|1,0,0]=3 13596 B12R1.1631 CCCOc1c(cccc1N)C 7a_100000756359_100000210303 [0,2,0,0,0,0|1,0,0]=3 13597 B12R1.1631 CCCOc1c(cccc1N)N 34a_200016994477_100000210303 [0,2,0,0,0,0|1,0,0]=3 13598 B12R1.1631 CCCOc1c(ccnc1C)C 34a_100011934651_100000210303 [0,2,0,0,0,0|2,0,0]=4 13599 B12R1.1631 CCCOc1c(ccnc1C)C 7a_100011934651_100000210303 [0,2,0,0,0,0|2,0,0]=4 13600 B12R1.1631 CCCOc1c(ccnc1Cl)C 34a_100000696282_100000210303 [0,2,0,0,0,0|2,0,0]=4 13601 B12R1.1631 CCCOc1c(ccnc1Cl)C 7a_100000696282_100000210303 [0,2,0,0,0,0|2,0,0]=4 13602 B12R1.1631 CCCOc1c(ccnc1Cl)Cl 34a_100000118450_100000210303 [0,2,0,0,0,0|2,0,0]=4 13603 B12R1.1631 CCCOc1c(ccnc1Cl)Cl 7a_100000118450_100000210303 [0,2,0,0,0,0|2,0,0]=4 13604 B12R1.1631 CCCOc1c(ccnc1Cl)F 34a_100009867227_100000210303 [0,2,0,0,0,0|2,0,0]=4 13605 B12R1.1631 CCCOc1c(ccnc1Cl)F 7a_100009867227_100000210303 [0,2,0,0,0,0|2,0,0]=4 13606 B12R1.1631 CCCOc1c(ccnc1Cl)I 34a_100010067911_100000210303 [0,2,0,0,0,0|2,0,0]=4 13607 B12R1.1631 CCCOc1c(ccnc1Cl)I 7a_100010067911_100000210303 [0,2,0,0,0,0|2,0,0]=4 13608 B12R1.1631 CCCOc1c(ccnc1Cl)N 34a_100009844647_100000210303 [0,2,0,0,0,0|2,0,0]=4 13609 B12R1.1631 CCCOc1c(ccnc1Cl)N 7a_100009844647_100000210303 [0,2,0,0,0,0|2,0,0]=4 13610 B12R1.1631 CCCOc1c(occc1=O)C 34a_100000031901_100000210303 [0,2,0,0,0,0|2,0,0]=4 13611 B12R1.1631 CCCSc1c(cccc1Br)Br 62a_100000210303_100009994525 [0,2,0,0,0,0|1,1,0]=4 13612 B12R1.1631 CCCSc1c(cccc1Br)Br 62a_100009994525_100000210303 [0,2,0,0,0,0|1,1,0]=4 13613 B12R1.1631 CCCSc1c(cccc1Br)C 62a_100000210303_100010141302 [0,2,0,0,0,0|1,1,0]=4 13614 B12R1.1631 CCCSc1c(cccc1Br)C 62a_100010141302_100000210303 [0,2,0,0,0,0|1,1,0]=4 13615 B12R1.1631 CCCSc1c(cccc1Br)Cl 62a_100000210303_100010214488 [0,2,0,0,0,0|1,1,0]=4 13616 B12R1.1631 CCCSc1c(cccc1Br)Cl 62a_100010214488_100000210303 [0,2,0,0,0,0|1,1,0]=4 13617 B12R1.1631 CCCSc1c(cccc1Br)F 62a_100000210303_100011219512 [0,2,0,0,0,0|1,1,0]=4 13618 B12R1.1631 CCCSc1c(cccc1Br)F 62a_100011219512_100000210303 [0,2,0,0,0,0|1,1,0]=4 13619 B12R1.1631 CCCSc1c(cccc1Br)N 62a_100000210303_100020590159 [0,2,0,0,0,0|1,1,0]=4 13620 B12R1.1631 CCCSc1c(cccc1Br)N 62a_100020590159_100000210303 [0,2,0,0,0,0|1,1,0]=4 13621 B12R1.1631 CCCSc1c(cccc1Br)O 62a_100000210303_100010187912 [0,2,0,0,0,0|1,1,0]=4 13622 B12R1.1631 CCCSc1c(cccc1Br)O 62a_100010187912_100000210303 [0,2,0,0,0,0|1,1,0]=4 13623 B12R1.1631 CCCSc1c(cccc1C)C 62a_100000033847_100000210303 [0,2,0,0,0,0|1,1,0]=4 13624 B12R1.1631 CCCSc1c(cccc1C)C 62a_100000210303_100000033847 [0,2,0,0,0,0|1,1,0]=4 13625 B12R1.1631 CCCSc1c(cccc1Cl)C 62a_100000043165_100000210303 [0,2,0,0,0,0|1,1,0]=4 13626 B12R1.1631 CCCSc1c(cccc1Cl)C 62a_100000210303_100000043165 [0,2,0,0,0,0|1,1,0]=4 13627 B12R1.1631 CCCSc1c(cccc1Cl)Cl 62a_100000034237_100000210303 [0,2,0,0,0,0|1,1,0]=4 13628 B12R1.1631 CCCSc1c(cccc1Cl)Cl 62a_100000210303_100000034237 [0,2,0,0,0,0|1,1,0]=4 13629 B12R1.1631 CCCSc1c(cccc1Cl)F 62a_100000050007_100000210303 [0,2,0,0,0,0|1,1,0]=4 13630 B12R1.1631 CCCSc1c(cccc1Cl)F 62a_100000210303_100000050007 [0,2,0,0,0,0|1,1,0]=4 13631 B12R1.1631 CCCSc1c(cccc1Cl)N 62a_100000049713_100000210303 [0,2,0,0,0,0|1,1,0]=4 13632 B12R1.1631 CCCSc1c(cccc1Cl)N 62a_100000210303_100000049713 [0,2,0,0,0,0|1,1,0]=4 13633 B12R1.1631 CCCSc1c(cccc1Cl)O 62a_100000210303_100000050174 [0,2,0,0,0,0|1,1,0]=4 13634 B12R1.1631 CCCSc1c(cccc1F)C 62a_100000210303_100011218421 [0,2,0,0,0,0|1,1,0]=4 13635 B12R1.1631 CCCSc1c(cccc1F)C 62a_100011218421_100000210303 [0,2,0,0,0,0|1,1,0]=4 13636 B12R1.1631 CCCSc1c(cccc1F)F 62a_100000210303_100000693133 [0,2,0,0,0,0|1,1,0]=4 13637 B12R1.1631 CCCSc1c(cccc1F)F 62a_100000693133_100000210303 [0,2,0,0,0,0|1,1,0]=4 13638 B12R1.1631 CCCSc1c(cccc1F)N 62a_100000210303_100000690935 [0,2,0,0,0,0|1,1,0]=4 13639 B12R1.1631 CCCSc1c(cccc1F)N 62a_100000690935_100000210303 [0,2,0,0,0,0|1,1,0]=4 13640 B12R1.1631 CCCSc1c(cccc1F)O 62a_100000210303_100009820682 [0,2,0,0,0,0|1,1,0]=4 13641 B12R1.1631 CCCSc1c(cccc1F)O 62a_100009820682_100000210303 [0,2,0,0,0,0|1,1,0]=4 13642 B12R1.1631 CCCSc1c(cccc1N)C 62a_100000210303_100000684715 [0,2,0,0,0,0|1,1,0]=4 13643 B12R1.1631 CCCSc1c(cccc1N)C 62a_100000684715_100000210303 [0,2,0,0,0,0|1,1,0]=4 13644 B12R1.1631 CCCSc1c(cccc1O)C 62a_100000210303_100000686692 [0,2,0,0,0,0|1,1,0]=4 13645 B12R1.1631 CCCSc1c(cccc1O)C 62a_100000686692_100000210303 [0,2,0,0,0,0|1,1,0]=4 13646 B12R1.1631 CCCSc1c(cccc1O)N 62a_100000210303_100012183704 [0,2,0,0,0,0|1,1,0]=4 13647 B12R1.1631 CCCSc1c(cccc1O)N 62a_100012183704_100000210303 [0,2,0,0,0,0|1,1,0]=4 13648 B12R1.1631 CCCSc1c(cccc1O)O 62a_100000210303_100010205330 [0,2,0,0,0,0|1,1,0]=4 13649 B12R1.1631 CSCOc1c(cccc1Br)Br 34a_100000736428_100011218213 [0,2,0,0,0,0|2,0,0]=4 13650 B12R1.1631 CSCOc1c(cccc1Br)C 34a_100009817157_100011218213 [0,2,0,0,0,0|2,0,0]=4 13651 B12R1.1631 CSCOc1c(cccc1Br)Cl 34a_100010214474_100011218213 [0,2,0,0,0,0|2,0,0]=4 13652 B12R1.1631 CSCOc1c(cccc1Br)F 34a_100009813666_100011218213 [0,2,0,0,0,0|2,0,0]=4 13653 B12R1.1631 CSCOc1c(cccc1Br)N 34a_100011934915_100011218213 [0,2,0,0,0,0|2,0,0]=4 13654 B12R1.1631 CSCOc1c(cccc1C)C 34a_100000210341_100011218213 [0,2,0,0,0,0|2,0,0]=4 13655 B12R1.1631 CSCOc1c(cccc1Cl)C 34a_100000033731_100011218213 [0,2,0,0,0,0|2,0,0]=4 13656 B12R1.1631 CSCOc1c(cccc1Cl)Cl 34a_100000211709_100011218213 [0,2,0,0,0,0|2,0,0]=4 13657 B12R1.1631 CSCOc1c(cccc1Cl)F 34a_100000694953_100011218213 [0,2,0,0,0,0|2,0,0]=4 13658 B12R1.1631 CSCOc1c(cccc1Cl)N 34a_100000754742_100011218213 [0,2,0,0,0,0|2,0,0]=4 13659 B12R1.1631 CSCOc1c(cccc1F)C 34a_100011659162_100011218213 [0,2,0,0,0,0|2,0,0]=4 13660 B12R1.1631 CSCOc1c(cccc1F)F 34a_100000230165_100011218213 [0,2,0,0,0,0|2,0,0]=4 13661 B12R1.1631 CSCOc1c(cccc1F)N 34a_100011934987_100011218213 [0,2,0,0,0,0|2,0,0]=4 13662 B12R1.1631 CSCOc1c(cccc1I)Br 34a_100010084509_100011218213 [0,2,0,0,0,0|2,0,0]=4 13663 B12R1.1631 CSCOc1c(cccc1I)Cl 34a_100010202889_100011218213 [0,2,0,0,0,0|2,0,0]=4 13664 B12R1.1631 CSCOc1c(cccc1I)F 34a_100010186298_100011218213 [0,2,0,0,0,0|2,0,0]=4 13665 B12R1.1631 CSCOc1c(cccc1I)N 34a_100010084371_100011218213 [0,2,0,0,0,0|2,0,0]=4 13666 B12R1.1631 CSCOc1c(cccc1N)C 34a_100000756359_100011218213 [0,2,0,0,0,0|2,0,0]=4 13667 B12R1.1631 CSCOc1c(cccc1N)N 34a_200016994477_100011218213 [0,2,0,0,0,0|2,0,0]=4 13668 B12R1.1631 Cc1ccc[n+](c1SCCO)[O-] 62a_100000211926_100116209805 [0,2,0,0,0,0|1,1,0]=4 13669 B12R1.1631 Cc1cccc(c1NCCF)Br 34a_100011834072_100011217306 [0,2,0,0,0,0|2,0,0]=4 13670 B12R1.1631 Cc1cccc(c1NCCF)C 34a_100000185769_100011217306 [0,2,0,0,0,0|2,0,0]=4 13671 B12R1.1631 Cc1cccc(c1NCCF)Cl 34a_100000756524_100011217306 [0,2,0,0,0,0|2,0,0]=4 13672 B12R1.1631 Cc1cccc(c1NCCF)F 34a_100000766463_100011217306 [0,2,0,0,0,0|2,0,0]=4 13673 B12R1.1631 Cc1cccc(c1NCCF)O 34a_100000743429_100011217306 [0,2,0,0,0,0|2,0,0]=4 13674 B12R1.1631 Cc1cccc(c1NCCO)Br 34a_100011834072_100000211926 [0,2,0,0,0,0|1,0,0]=3 13675 B12R1.1631 Cc1cccc(c1NCCO)C 34a_100000185769_100000211926 [0,2,0,0,0,0|1,0,0]=3 13676 B12R1.1631 Cc1cccc(c1NCCO)Cl 34a_100000756524_100000211926 [0,2,0,0,0,0|1,0,0]=3 13677 B12R1.1631 Cc1cccc(c1NCCO)F 34a_100000766463_100000211926 [0,2,0,0,0,0|1,0,0]=3 13678 B12R1.1631 Cc1cccc(c1NCCO)O 34a_100000743429_100000211926 [0,2,0,0,0,0|1,0,0]=3 13679 B12R1.1631 Cc1cccc(c1OCC#N)Br 7a_100009817157_100011215382 [0,2,0,0,0,0|1,0,1]=4 13680 B12R1.1631 Cc1cccc(c1OCC#N)C 7a_100000210341_100011215382 [0,2,0,0,0,0|1,0,1]=4 13681 B12R1.1631 Cc1cccc(c1OCC#N)Cl 7a_100000033731_100011215382 [0,2,0,0,0,0|1,0,1]=4 13682 B12R1.1631 Cc1cccc(c1OCC#N)F 7a_100011659162_100011215382 [0,2,0,0,0,0|1,0,1]=4 13683 B12R1.1631 Cc1cccc(c1OCC#N)N 7a_100000756359_100011215382 [0,2,0,0,0,0|1,0,1]=4 13684 B12R1.1631 Cc1cccc(c1OCC=O)Br 34a_100009817157_200009817547 [0,2,0,0,0,0|0,0,2]=4 13685 B12R1.1631 Cc1cccc(c1OCC=O)Br 7a_100009817157_200015260668 [0,2,0,0,0,0|0,0,2]=4 13686 B12R1.1631 Cc1cccc(c1OCC=O)C 34a_100000210341_200009817547 [0,2,0,0,0,0|0,0,2]=4 13687 B12R1.1631 Cc1cccc(c1OCC=O)C 7a_100000210341_200015260668 [0,2,0,0,0,0|0,0,2]=4 13688 B12R1.1631 Cc1cccc(c1OCC=O)Cl 34a_100000033731_200009817547 [0,2,0,0,0,0|0,0,2]=4 13689 B12R1.1631 Cc1cccc(c1OCC=O)Cl 7a_100000033731_200015260668 [0,2,0,0,0,0|0,0,2]=4 13690 B12R1.1631 Cc1cccc(c1OCC=O)F 34a_100011659162_200009817547 [0,2,0,0,0,0|0,0,2]=4 13691 B12R1.1631 Cc1cccc(c1OCC=O)F 7a_100011659162_200015260668 [0,2,0,0,0,0|0,0,2]=4 13692 B12R1.1631 Cc1cccc(c1OCC=O)N 34a_100000756359_200009817547 [0,2,0,0,0,0|0,0,2]=4 13693 B12R1.1631 Cc1cccc(c1OCC=O)N 7a_100000756359_200015260668 [0,2,0,0,0,0|0,0,2]=4 13694 B12R1.1631 Cc1cccc(c1OCCF)Br 34a_100009817157_100011217306 [0,2,0,0,0,0|1,0,0]=3 13695 B12R1.1631 Cc1cccc(c1OCCF)Br 7a_100009817157_100011217306 [0,2,0,0,0,0|1,0,0]=3 13696 B12R1.1631 Cc1cccc(c1OCCF)C 34a_100000210341_100011217306 [0,2,0,0,0,0|1,0,0]=3 13697 B12R1.1631 Cc1cccc(c1OCCF)C 7a_100000210341_100011217306 [0,2,0,0,0,0|1,0,0]=3 13698 B12R1.1631 Cc1cccc(c1OCCF)Cl 34a_100000033731_100011217306 [0,2,0,0,0,0|1,0,0]=3 13699 B12R1.1631 Cc1cccc(c1OCCF)Cl 7a_100000033731_100011217306 [0,2,0,0,0,0|1,0,0]=3 13700 B12R1.1631 Cc1cccc(c1OCCF)F 34a_100011659162_100011217306 [0,2,0,0,0,0|1,0,0]=3 13701 B12R1.1631 Cc1cccc(c1OCCF)F 7a_100011659162_100011217306 [0,2,0,0,0,0|1,0,0]=3 13702 B12R1.1631 Cc1cccc(c1OCCF)N 34a_100000756359_100011217306 [0,2,0,0,0,0|1,0,0]=3 13703 B12R1.1631 Cc1cccc(c1OCCF)N 7a_100000756359_100011217306 [0,2,0,0,0,0|1,0,0]=3 13704 B12R1.1631 Cc1cccc(c1OCCO)Br 34a_100009817157_100000211926 [0,2,0,0,0,0|0,0,0]=2 13705 B12R1.1631 Cc1cccc(c1OCCO)Br 7a_100009817157_100000211926 [0,2,0,0,0,0|0,0,0]=2 13706 B12R1.1631 Cc1cccc(c1OCCO)C 34a_100000210341_100000211926 [0,2,0,0,0,0|0,0,0]=2 13707 B12R1.1631 Cc1cccc(c1OCCO)C 7a_100000210341_100000211926 [0,2,0,0,0,0|0,0,0]=2 13708 B12R1.1631 Cc1cccc(c1OCCO)Cl 34a_100000033731_100000211926 [0,2,0,0,0,0|0,0,0]=2 13709 B12R1.1631 Cc1cccc(c1OCCO)Cl 7a_100000033731_100000211926 [0,2,0,0,0,0|0,0,0]=2 13710 B12R1.1631 Cc1cccc(c1OCCO)F 34a_100011659162_100000211926 [0,2,0,0,0,0|0,0,0]=2 13711 B12R1.1631 Cc1cccc(c1OCCO)F 7a_100011659162_100000211926 [0,2,0,0,0,0|0,0,0]=2 13712 B12R1.1631 Cc1cccc(c1OCCO)N 34a_100000756359_100000211926 [0,2,0,0,0,0|0,0,0]=2 13713 B12R1.1631 Cc1cccc(c1OCCO)N 7a_100000756359_100000211926 [0,2,0,0,0,0|0,0,0]=2 13714 B12R1.1631 Cc1cccc(c1SCCF)Br 62a_100010141302_100011217306 [0,2,0,0,0,0|1,1,0]=4 13715 B12R1.1631 Cc1cccc(c1SCCF)Br 62a_100011217306_100010141302 [0,2,0,0,0,0|1,1,0]=4 13716 B12R1.1631 Cc1cccc(c1SCCF)C 62a_100000033847_100011217306 [0,2,0,0,0,0|1,1,0]=4 13717 B12R1.1631 Cc1cccc(c1SCCF)C 62a_100011217306_100000033847 [0,2,0,0,0,0|1,1,0]=4 13718 B12R1.1631 Cc1cccc(c1SCCF)Cl 62a_100000043165_100011217306 [0,2,0,0,0,0|1,1,0]=4 13719 B12R1.1631 Cc1cccc(c1SCCF)Cl 62a_100011217306_100000043165 [0,2,0,0,0,0|1,1,0]=4 13720 B12R1.1631 Cc1cccc(c1SCCF)F 62a_100011217306_100011218421 [0,2,0,0,0,0|1,1,0]=4 13721 B12R1.1631 Cc1cccc(c1SCCF)F 62a_100011218421_100011217306 [0,2,0,0,0,0|1,1,0]=4 13722 B12R1.1631 Cc1cccc(c1SCCF)N 62a_100000684715_100011217306 [0,2,0,0,0,0|1,1,0]=4 13723 B12R1.1631 Cc1cccc(c1SCCF)N 62a_100011217306_100000684715 [0,2,0,0,0,0|1,1,0]=4 13724 B12R1.1631 Cc1cccc(c1SCCF)O 62a_100000686692_100011217306 [0,2,0,0,0,0|1,1,0]=4 13725 B12R1.1631 Cc1cccc(c1SCCF)O 62a_100011217306_100000686692 [0,2,0,0,0,0|1,1,0]=4 13726 B12R1.1631 Cc1cccc(c1SCCO)Br 62a_100000211926_100010141302 [0,2,0,0,0,0|0,1,0]=3 13727 B12R1.1631 Cc1cccc(c1SCCO)Br 62a_100010141302_100000211926 [0,2,0,0,0,0|0,1,0]=3 13728 B12R1.1631 Cc1cccc(c1SCCO)C 62a_100000033847_100000211926 [0,2,0,0,0,0|0,1,0]=3 13729 B12R1.1631 Cc1cccc(c1SCCO)C 62a_100000211926_100000033847 [0,2,0,0,0,0|0,1,0]=3 13730 B12R1.1631 Cc1cccc(c1SCCO)Cl 62a_100000043165_100000211926 [0,2,0,0,0,0|0,1,0]=3 13731 B12R1.1631 Cc1cccc(c1SCCO)Cl 62a_100000211926_100000043165 [0,2,0,0,0,0|0,1,0]=3 13732 B12R1.1631 Cc1cccc(c1SCCO)F 62a_100000211926_100011218421 [0,2,0,0,0,0|0,1,0]=3 13733 B12R1.1631 Cc1cccc(c1SCCO)F 62a_100011218421_100000211926 [0,2,0,0,0,0|0,1,0]=3 13734 B12R1.1631 Cc1cccc(c1SCCO)N 62a_100000211926_100000684715 [0,2,0,0,0,0|0,1,0]=3 13735 B12R1.1631 Cc1cccc(c1SCCO)N 62a_100000684715_100000211926 [0,2,0,0,0,0|0,1,0]=3 13736 B12R1.1631 Cc1cccc(c1SCCO)O 62a_100000211926_100000686692 [0,2,0,0,0,0|0,1,0]=3 13737 B12R1.1631 Cc1cccc(c1SCCO)O 62a_100000686692_100000211926 [0,2,0,0,0,0|0,1,0]=3 13738 B12R1.1631 Cc1ccnc(c1NCCO)F 27a_100000210304_100009818256 [0,2,0,0,0,0|2,0,0]=4 13739 B12R1.1631 Cc1ccnc(c1OCCF)C 34a_100011934651_100011217306 [0,2,0,0,0,0|2,0,0]=4 13740 B12R1.1631 Cc1ccnc(c1OCCF)C 7a_100011934651_100011217306 [0,2,0,0,0,0|2,0,0]=4 13741 B12R1.1631 Cc1ccnc(c1OCCF)Cl 34a_100000696282_100011217306 [0,2,0,0,0,0|2,0,0]=4 13742 B12R1.1631 Cc1ccnc(c1OCCF)Cl 7a_100000696282_100011217306 [0,2,0,0,0,0|2,0,0]=4 13743 B12R1.1631 Cc1ccnc(c1OCCO)C 34a_100011934651_100000211926 [0,2,0,0,0,0|1,0,0]=3 13744 B12R1.1631 Cc1ccnc(c1OCCO)C 7a_100011934651_100000211926 [0,2,0,0,0,0|1,0,0]=3 13745 B12R1.1631 Cc1ccnc(c1OCCO)Cl 34a_100000696282_100000211926 [0,2,0,0,0,0|1,0,0]=3 13746 B12R1.1631 Cc1ccnc(c1OCCO)Cl 7a_100000696282_100000211926 [0,2,0,0,0,0|1,0,0]=3 13747 B12R1.1631 Cc1ccnc(c1SCCO)C 62a_100000211926_100012000501 [0,2,0,0,0,0|1,1,0]=4 13748 B12R1.1631 Cc1ccnc(c1SCCO)C 62a_100012000501_100000211926 [0,2,0,0,0,0|1,1,0]=4 13749 B12R1.1631 Cc1ccnc(c1SCCO)Cl 62a_100000211926_100010248874 [0,2,0,0,0,0|1,1,0]=4 13750 B12R1.1631 Cc1ccnc(c1SCCO)Cl 62a_100010248874_100000211926 [0,2,0,0,0,0|1,1,0]=4 13751 B12R1.1631 Cc1ccnc(c1SCCO)F 62a_100000211926_100009818256 [0,2,0,0,0,0|1,1,0]=4 13752 B12R1.1631 Cc1ccnc(c1SCCO)F 62a_100009818256_100000211926 [0,2,0,0,0,0|1,1,0]=4 13753 B12R1.1631 Cc1ccnc(c1SCCO)N 62a_100000211926_100011998619 [0,2,0,0,0,0|1,1,0]=4 13754 B12R1.1631 Cc1ccnc(c1SCCO)N 62a_100011998619_100000211926 [0,2,0,0,0,0|1,1,0]=4 13755 B12R1.1631 Cc1ccnc(c1SCCO)O 62a_100000211926_100012000493 [0,2,0,0,0,0|1,1,0]=4 13756 B12R1.1631 Cc1ccnc(c1SCCO)O 62a_100012000493_100000211926 [0,2,0,0,0,0|1,1,0]=4 13757 B12R1.1631 Cc1cncc(c1SCCO)C 62a_100000211926_100009817138 [0,2,0,0,0,0|1,1,0]=4 13758 B12R1.1631 Cc1cncc(c1SCCO)C 62a_100009817138_100000211926 [0,2,0,0,0,0|1,1,0]=4 13759 B12R1.1631 Cc1nccc(c1SCCO)N 62a_100000211926_100010243816 [0,2,0,0,0,0|1,1,0]=4 13760 B12R1.1631 Cc1nccc(c1SCCO)N 62a_100010243816_100000211926 [0,2,0,0,0,0|1,1,0]=4 13761 B12R1.1631 Cc1ncnc(c1OCCO)C 34a_100009878406_100000211926 [0,2,0,0,0,0|2,0,0]=4 13762 B12R1.1631 Cc1ncnc(c1OCCO)C 7a_100009878406_100000211926 [0,2,0,0,0,0|2,0,0]=4 13763 B12R1.1631 Cc1occc(=O)c1OCCF 34a_100000031901_100011217306 [0,2,0,0,0,0|2,0,0]=4 13764 B12R1.1631 Cc1occc(=O)c1OCCO 34a_100000031901_100000211926 [0,2,0,0,0,0|1,0,0]=3 13765 B12R1.1631 FCCNc1c(cccc1Br)Br 34a_100000690995_100011217306 [0,2,0,0,0,0|2,0,0]=4 13766 B12R1.1631 FCCNc1c(cccc1Br)Cl 34a_100102946385_100011217306 [0,2,0,0,0,0|2,0,0]=4 13767 B12R1.1631 FCCNc1c(cccc1Br)F 34a_100000684712_100011217306 [0,2,0,0,0,0|2,0,0]=4 13768 B12R1.1631 FCCNc1c(cccc1Cl)Cl 34a_100000210028_100011217306 [0,2,0,0,0,0|2,0,0]=4 13769 B12R1.1631 FCCNc1c(cccc1Cl)F 34a_100000760031_100011217306 [0,2,0,0,0,0|2,0,0]=4 13770 B12R1.1631 FCCNc1c(cccc1F)F 2230a_100000210704_100011217306 [0,2,0,0,0,0|2,0,0]=4 13771 B12R1.1631 FCCNc1c(cccc1F)F 34a_100000210704_100011217306 [0,2,0,0,0,0|2,0,0]=4 13772 B12R1.1631 FCCNc1c(cccc1I)F 34a_100000042321_100011217306 [0,2,0,0,0,0|2,0,0]=4 13773 B12R1.1631 FCCOc1c(cccc1Br)Br 34a_100000736428_100011217306 [0,2,0,0,0,0|1,0,0]=3 13774 B12R1.1631 FCCOc1c(cccc1Br)Br 7a_100000736428_100011217306 [0,2,0,0,0,0|1,0,0]=3 13775 B12R1.1631 FCCOc1c(cccc1Br)Cl 34a_100010214474_100011217306 [0,2,0,0,0,0|1,0,0]=3 13776 B12R1.1631 FCCOc1c(cccc1Br)Cl 7a_100010214474_100011217306 [0,2,0,0,0,0|1,0,0]=3 13777 B12R1.1631 FCCOc1c(cccc1Br)F 34a_100009813666_100011217306 [0,2,0,0,0,0|1,0,0]=3 13778 B12R1.1631 FCCOc1c(cccc1Br)F 7a_100009813666_100011217306 [0,2,0,0,0,0|1,0,0]=3 13779 B12R1.1631 FCCOc1c(cccc1Cl)Cl 34a_100000211709_100011217306 [0,2,0,0,0,0|1,0,0]=3 13780 B12R1.1631 FCCOc1c(cccc1Cl)Cl 7a_100000211709_100011217306 [0,2,0,0,0,0|1,0,0]=3 13781 B12R1.1631 FCCOc1c(cccc1Cl)F 34a_100000694953_100011217306 [0,2,0,0,0,0|1,0,0]=3 13782 B12R1.1631 FCCOc1c(cccc1Cl)F 7a_100000694953_100011217306 [0,2,0,0,0,0|1,0,0]=3 13783 B12R1.1631 FCCOc1c(cccc1F)F 34a_100000230165_100011217306 [0,2,0,0,0,0|1,0,0]=3 13784 B12R1.1631 FCCOc1c(cccc1F)F 7a_100000230165_100011217306 [0,2,0,0,0,0|1,0,0]=3 13785 B12R1.1631 FCCOc1c(cccc1I)Br 34a_100010084509_100011217306 [0,2,0,0,0,0|1,0,0]=3 13786 B12R1.1631 FCCOc1c(cccc1I)Br 7a_100010084509_100011217306 [0,2,0,0,0,0|1,0,0]=3 13787 B12R1.1631 FCCOc1c(cccc1I)Cl 34a_100010202889_100011217306 [0,2,0,0,0,0|1,0,0]=3 13788 B12R1.1631 FCCOc1c(cccc1I)Cl 7a_100010202889_100011217306 [0,2,0,0,0,0|1,0,0]=3 13789 B12R1.1631 FCCOc1c(cccc1I)F 34a_100010186298_100011217306 [0,2,0,0,0,0|1,0,0]=3 13790 B12R1.1631 FCCOc1c(cccc1I)F 7a_100010186298_100011217306 [0,2,0,0,0,0|1,0,0]=3 13791 B12R1.1631 FCCOc1c(ccnc1Cl)Cl 34a_100000118450_100011217306 [0,2,0,0,0,0|2,0,0]=4 13792 B12R1.1631 FCCOc1c(ccnc1Cl)Cl 7a_100000118450_100011217306 [0,2,0,0,0,0|2,0,0]=4 13793 B12R1.1631 FCCOc1c(ccnc1Cl)F 34a_100009867227_100011217306 [0,2,0,0,0,0|2,0,0]=4 13794 B12R1.1631 FCCOc1c(ccnc1Cl)F 7a_100009867227_100011217306 [0,2,0,0,0,0|2,0,0]=4 13795 B12R1.1631 FCCOc1c(ccnc1Cl)I 34a_100010067911_100011217306 [0,2,0,0,0,0|2,0,0]=4 13796 B12R1.1631 FCCOc1c(ccnc1Cl)I 7a_100010067911_100011217306 [0,2,0,0,0,0|2,0,0]=4 13797 B12R1.1631 FCCSc1c(cccc1Br)Br 62a_100009994525_100011217306 [0,2,0,0,0,0|1,1,0]=4 13798 B12R1.1631 FCCSc1c(cccc1Br)Br 62a_100011217306_100009994525 [0,2,0,0,0,0|1,1,0]=4 13799 B12R1.1631 FCCSc1c(cccc1Br)Cl 62a_100010214488_100011217306 [0,2,0,0,0,0|1,1,0]=4 13800 B12R1.1631 FCCSc1c(cccc1Br)Cl 62a_100011217306_100010214488 [0,2,0,0,0,0|1,1,0]=4 13801 B12R1.1631 FCCSc1c(cccc1Br)F 62a_100011217306_100011219512 [0,2,0,0,0,0|1,1,0]=4 13802 B12R1.1631 FCCSc1c(cccc1Br)F 62a_100011219512_100011217306 [0,2,0,0,0,0|1,1,0]=4 13803 B12R1.1631 FCCSc1c(cccc1Cl)Cl 62a_100000034237_100011217306 [0,2,0,0,0,0|1,1,0]=4 13804 B12R1.1631 FCCSc1c(cccc1Cl)Cl 62a_100011217306_100000034237 [0,2,0,0,0,0|1,1,0]=4 13805 B12R1.1631 FCCSc1c(cccc1Cl)F 62a_100000050007_100011217306 [0,2,0,0,0,0|1,1,0]=4 13806 B12R1.1631 FCCSc1c(cccc1Cl)F 62a_100011217306_100000050007 [0,2,0,0,0,0|1,1,0]=4 13807 B12R1.1631 FCCSc1c(cccc1F)F 62a_100000693133_100011217306 [0,2,0,0,0,0|1,1,0]=4 13808 B12R1.1631 FCCSc1c(cccc1F)F 62a_100011217306_100000693133 [0,2,0,0,0,0|1,1,0]=4 13809 B12R1.1631 N#CCOc1c(cccc1Br)Br 7a_100000736428_100011215382 [0,2,0,0,0,0|1,0,1]=4 13810 B12R1.1631 N#CCOc1c(cccc1Br)Cl 7a_100010214474_100011215382 [0,2,0,0,0,0|1,0,1]=4 13811 B12R1.1631 N#CCOc1c(cccc1Br)F 7a_100009813666_100011215382 [0,2,0,0,0,0|1,0,1]=4 13812 B12R1.1631 N#CCOc1c(cccc1Cl)Cl 7a_100000211709_100011215382 [0,2,0,0,0,0|1,0,1]=4 13813 B12R1.1631 N#CCOc1c(cccc1Cl)F 7a_100000694953_100011215382 [0,2,0,0,0,0|1,0,1]=4 13814 B12R1.1631 N#CCOc1c(cccc1F)F 7a_100000230165_100011215382 [0,2,0,0,0,0|1,0,1]=4 13815 B12R1.1631 N#CCOc1c(cccc1I)Br 7a_100010084509_100011215382 [0,2,0,0,0,0|1,0,1]=4 13816 B12R1.1631 N#CCOc1c(cccc1I)Cl 7a_100010202889_100011215382 [0,2,0,0,0,0|1,0,1]=4 13817 B12R1.1631 N#CCOc1c(cccc1I)F 7a_100010186298_100011215382 [0,2,0,0,0,0|1,0,1]=4 13818 B12R1.1631 Nc1cccc(c1OCC=O)Br 34a_100011934915_200009817547 [0,2,0,0,0,0|0,0,2]=4 13819 B12R1.1631 Nc1cccc(c1OCC=O)Cl 34a_100000754742_200009817547 [0,2,0,0,0,0|0,0,2]=4 13820 B12R1.1631 Nc1cccc(c1OCC=O)F 34a_100011934987_200009817547 [0,2,0,0,0,0|0,0,2]=4 13821 B12R1.1631 Nc1cccc(c1OCC=O)I 34a_100010084371_200009817547 [0,2,0,0,0,0|0,0,2]=4 13822 B12R1.1631 Nc1cccc(c1OCC=O)N 34a_200016994477_200009817547 [0,2,0,0,0,0|0,0,2]=4 13823 B12R1.1631 Nc1cccc(c1OCCF)Br 34a_100011934915_100011217306 [0,2,0,0,0,0|1,0,0]=3 13824 B12R1.1631 Nc1cccc(c1OCCF)Cl 34a_100000754742_100011217306 [0,2,0,0,0,0|1,0,0]=3 13825 B12R1.1631 Nc1cccc(c1OCCF)F 34a_100011934987_100011217306 [0,2,0,0,0,0|1,0,0]=3 13826 B12R1.1631 Nc1cccc(c1OCCF)I 34a_100010084371_100011217306 [0,2,0,0,0,0|1,0,0]=3 13827 B12R1.1631 Nc1cccc(c1OCCF)N 34a_200016994477_100011217306 [0,2,0,0,0,0|1,0,0]=3 13828 B12R1.1631 Nc1cccc(c1OCCO)Br 34a_100011934915_100000211926 [0,2,0,0,0,0|0,0,0]=2 13829 B12R1.1631 Nc1cccc(c1OCCO)Cl 34a_100000754742_100000211926 [0,2,0,0,0,0|0,0,0]=2 13830 B12R1.1631 Nc1cccc(c1OCCO)F 34a_100011934987_100000211926 [0,2,0,0,0,0|0,0,0]=2 13831 B12R1.1631 Nc1cccc(c1OCCO)I 34a_100010084371_100000211926 [0,2,0,0,0,0|0,0,0]=2 13832 B12R1.1631 Nc1cccc(c1OCCO)N 34a_200016994477_100000211926 [0,2,0,0,0,0|0,0,0]=2 13833 B12R1.1631 Nc1cccc(c1SCCF)Br 62a_100011217306_100020590159 [0,2,0,0,0,0|1,1,0]=4 13834 B12R1.1631 Nc1cccc(c1SCCF)Br 62a_100020590159_100011217306 [0,2,0,0,0,0|1,1,0]=4 13835 B12R1.1631 Nc1cccc(c1SCCF)Cl 62a_100000049713_100011217306 [0,2,0,0,0,0|1,1,0]=4 13836 B12R1.1631 Nc1cccc(c1SCCF)Cl 62a_100011217306_100000049713 [0,2,0,0,0,0|1,1,0]=4 13837 B12R1.1631 Nc1cccc(c1SCCF)F 62a_100000690935_100011217306 [0,2,0,0,0,0|1,1,0]=4 13838 B12R1.1631 Nc1cccc(c1SCCF)F 62a_100011217306_100000690935 [0,2,0,0,0,0|1,1,0]=4 13839 B12R1.1631 Nc1cccc(c1SCCF)O 62a_100011217306_100012183704 [0,2,0,0,0,0|1,1,0]=4 13840 B12R1.1631 Nc1cccc(c1SCCF)O 62a_100012183704_100011217306 [0,2,0,0,0,0|1,1,0]=4 13841 B12R1.1631 Nc1cccc(c1SCCO)Br 62a_100000211926_100020590159 [0,2,0,0,0,0|0,1,0]=3 13842 B12R1.1631 Nc1cccc(c1SCCO)Br 62a_100020590159_100000211926 [0,2,0,0,0,0|0,1,0]=3 13843 B12R1.1631 Nc1cccc(c1SCCO)Cl 62a_100000049713_100000211926 [0,2,0,0,0,0|0,1,0]=3 13844 B12R1.1631 Nc1cccc(c1SCCO)Cl 62a_100000211926_100000049713 [0,2,0,0,0,0|0,1,0]=3 13845 B12R1.1631 Nc1cccc(c1SCCO)F 62a_100000211926_100000690935 [0,2,0,0,0,0|0,1,0]=3 13846 B12R1.1631 Nc1cccc(c1SCCO)F 62a_100000690935_100000211926 [0,2,0,0,0,0|0,1,0]=3 13847 B12R1.1631 Nc1cccc(c1SCCO)O 62a_100000211926_100012183704 [0,2,0,0,0,0|0,1,0]=3 13848 B12R1.1631 Nc1cccc(c1SCCO)O 62a_100012183704_100000211926 [0,2,0,0,0,0|0,1,0]=3 13849 B12R1.1631 Nc1ccnc(c1OCCF)Cl 34a_100009844647_100011217306 [0,2,0,0,0,0|2,0,0]=4 13850 B12R1.1631 Nc1ccnc(c1OCCF)Cl 7a_100009844647_100011217306 [0,2,0,0,0,0|2,0,0]=4 13851 B12R1.1631 Nc1ccnc(c1OCCO)Cl 34a_100009844647_100000211926 [0,2,0,0,0,0|1,0,0]=3 13852 B12R1.1631 Nc1ccnc(c1OCCO)Cl 7a_100009844647_100000211926 [0,2,0,0,0,0|1,0,0]=3 13853 B12R1.1631 Nc1ccnc(c1SCCO)Cl 62a_100000211926_100010208016 [0,2,0,0,0,0|1,1,0]=4 13854 B12R1.1631 Nc1ccnc(c1SCCO)Cl 62a_100010208016_100000211926 [0,2,0,0,0,0|1,1,0]=4 13855 B12R1.1631 Nc1ccnc(c1SCCO)F 62a_100000211926_100010381272 [0,2,0,0,0,0|1,1,0]=4 13856 B12R1.1631 Nc1ccnc(c1SCCO)F 62a_100010381272_100000211926 [0,2,0,0,0,0|1,1,0]=4 13857 B12R1.1631 Nc1nccc(c1SCCO)Cl 62a_100000211926_100010199028 [0,2,0,0,0,0|1,1,0]=4 13858 B12R1.1631 Nc1nccc(c1SCCO)Cl 62a_100010199028_100000211926 [0,2,0,0,0,0|1,1,0]=4 13859 B12R1.1631 Nc1ncnc(c1OCCO)Cl 34a_100000124137_100000211926 [0,2,0,0,0,0|2,0,0]=4 13860 B12R1.1631 Nc1ncnc(c1OCCO)Cl 7a_100000124137_100000211926 [0,2,0,0,0,0|2,0,0]=4 13861 B12R1.1631 O=CCOc1c(cccc1Br)Br 34a_100000736428_200009817547 [0,2,0,0,0,0|0,0,2]=4 13862 B12R1.1631 O=CCOc1c(cccc1Br)Br 7a_100000736428_200015260668 [0,2,0,0,0,0|0,0,2]=4 13863 B12R1.1631 O=CCOc1c(cccc1Br)Cl 34a_100010214474_200009817547 [0,2,0,0,0,0|0,0,2]=4 13864 B12R1.1631 O=CCOc1c(cccc1Br)Cl 7a_100010214474_200015260668 [0,2,0,0,0,0|0,0,2]=4 13865 B12R1.1631 O=CCOc1c(cccc1Br)F 34a_100009813666_200009817547 [0,2,0,0,0,0|0,0,2]=4 13866 B12R1.1631 O=CCOc1c(cccc1Br)F 7a_100009813666_200015260668 [0,2,0,0,0,0|0,0,2]=4 13867 B12R1.1631 O=CCOc1c(cccc1Cl)Cl 34a_100000211709_200009817547 [0,2,0,0,0,0|0,0,2]=4 13868 B12R1.1631 O=CCOc1c(cccc1Cl)Cl 7a_100000211709_200015260668 [0,2,0,0,0,0|0,0,2]=4 13869 B12R1.1631 O=CCOc1c(cccc1Cl)F 34a_100000694953_200009817547 [0,2,0,0,0,0|0,0,2]=4 13870 B12R1.1631 O=CCOc1c(cccc1Cl)F 7a_100000694953_200015260668 [0,2,0,0,0,0|0,0,2]=4 13871 B12R1.1631 O=CCOc1c(cccc1F)F 34a_100000230165_200009817547 [0,2,0,0,0,0|0,0,2]=4 13872 B12R1.1631 O=CCOc1c(cccc1F)F 7a_100000230165_200015260668 [0,2,0,0,0,0|0,0,2]=4 13873 B12R1.1631 O=CCOc1c(cccc1I)Br 34a_100010084509_200009817547 [0,2,0,0,0,0|0,0,2]=4 13874 B12R1.1631 O=CCOc1c(cccc1I)Br 7a_100010084509_200015260668 [0,2,0,0,0,0|0,0,2]=4 13875 B12R1.1631 O=CCOc1c(cccc1I)Cl 34a_100010202889_200009817547 [0,2,0,0,0,0|0,0,2]=4 13876 B12R1.1631 O=CCOc1c(cccc1I)Cl 7a_100010202889_200015260668 [0,2,0,0,0,0|0,0,2]=4 13877 B12R1.1631 O=CCOc1c(cccc1I)F 34a_100010186298_200009817547 [0,2,0,0,0,0|0,0,2]=4 13878 B12R1.1631 O=CCOc1c(cccc1I)F 7a_100010186298_200015260668 [0,2,0,0,0,0|0,0,2]=4 13879 B12R1.1631 OCCCc1c(cccc1F)O 271570a_203496583355_100021413403 [0,2,0,0,0,0|1,0,0]=3 13880 B12R1.1631 OCCNc1c(cccc1Br)Br 34a_100000690995_100000211926 [0,2,0,0,0,0|1,0,0]=3 13881 B12R1.1631 OCCNc1c(cccc1Br)Cl 34a_100102946385_100000211926 [0,2,0,0,0,0|1,0,0]=3 13882 B12R1.1631 OCCNc1c(cccc1Br)F 34a_100000684712_100000211926 [0,2,0,0,0,0|1,0,0]=3 13883 B12R1.1631 OCCNc1c(cccc1Br)O 34a_100011934926_100000211926 [0,2,0,0,0,0|1,0,0]=3 13884 B12R1.1631 OCCNc1c(cccc1Cl)Cl 34a_100000210028_100000211926 [0,2,0,0,0,0|1,0,0]=3 13885 B12R1.1631 OCCNc1c(cccc1Cl)F 34a_100000760031_100000211926 [0,2,0,0,0,0|1,0,0]=3 13886 B12R1.1631 OCCNc1c(cccc1Cl)O 34a_100012022510_100000211926 [0,2,0,0,0,0|1,0,0]=3 13887 B12R1.1631 OCCNc1c(cccc1F)F 2230a_100000210704_100000211926 [0,2,0,0,0,0|1,0,0]=3 13888 B12R1.1631 OCCNc1c(cccc1F)F 34a_100000210704_100000211926 [0,2,0,0,0,0|1,0,0]=3 13889 B12R1.1631 OCCNc1c(cccc1F)O 34a_100020591140_100000211926 [0,2,0,0,0,0|1,0,0]=3 13890 B12R1.1631 OCCNc1c(cccc1I)F 34a_100000042321_100000211926 [0,2,0,0,0,0|1,0,0]=3 13891 B12R1.1631 OCCNc1c(ccnc1F)F 27a_100000210304_100009874084 [0,2,0,0,0,0|2,0,0]=4 13892 B12R1.1631 OCCOc1c(cccc1Br)Br 34a_100000736428_100000211926 [0,2,0,0,0,0|0,0,0]=2 13893 B12R1.1631 OCCOc1c(cccc1Br)Br 7a_100000736428_100000211926 [0,2,0,0,0,0|0,0,0]=2 13894 B12R1.1631 OCCOc1c(cccc1Br)Cl 34a_100010214474_100000211926 [0,2,0,0,0,0|0,0,0]=2 13895 B12R1.1631 OCCOc1c(cccc1Br)Cl 7a_100010214474_100000211926 [0,2,0,0,0,0|0,0,0]=2 13896 B12R1.1631 OCCOc1c(cccc1Br)F 34a_100009813666_100000211926 [0,2,0,0,0,0|0,0,0]=2 13897 B12R1.1631 OCCOc1c(cccc1Br)F 7a_100009813666_100000211926 [0,2,0,0,0,0|0,0,0]=2 13898 B12R1.1631 OCCOc1c(cccc1Cl)Cl 34a_100000211709_100000211926 [0,2,0,0,0,0|0,0,0]=2 13899 B12R1.1631 OCCOc1c(cccc1Cl)Cl 7a_100000211709_100000211926 [0,2,0,0,0,0|0,0,0]=2 13900 B12R1.1631 OCCOc1c(cccc1Cl)F 34a_100000694953_100000211926 [0,2,0,0,0,0|0,0,0]=2 13901 B12R1.1631 OCCOc1c(cccc1Cl)F 7a_100000694953_100000211926 [0,2,0,0,0,0|0,0,0]=2 13902 B12R1.1631 OCCOc1c(cccc1F)F 34a_100000230165_100000211926 [0,2,0,0,0,0|0,0,0]=2 13903 B12R1.1631 OCCOc1c(cccc1F)F 7a_100000230165_100000211926 [0,2,0,0,0,0|0,0,0]=2 13904 B12R1.1631 OCCOc1c(cccc1I)Br 34a_100010084509_100000211926 [0,2,0,0,0,0|0,0,0]=2 13905 B12R1.1631 OCCOc1c(cccc1I)Br 7a_100010084509_100000211926 [0,2,0,0,0,0|0,0,0]=2 13906 B12R1.1631 OCCOc1c(cccc1I)Cl 34a_100010202889_100000211926 [0,2,0,0,0,0|0,0,0]=2 13907 B12R1.1631 OCCOc1c(cccc1I)Cl 7a_100010202889_100000211926 [0,2,0,0,0,0|0,0,0]=2 13908 B12R1.1631 OCCOc1c(cccc1I)F 34a_100010186298_100000211926 [0,2,0,0,0,0|0,0,0]=2 13909 B12R1.1631 OCCOc1c(cccc1I)F 7a_100010186298_100000211926 [0,2,0,0,0,0|0,0,0]=2 13910 B12R1.1631 OCCOc1c(ccnc1Cl)Cl 34a_100000118450_100000211926 [0,2,0,0,0,0|1,0,0]=3 13911 B12R1.1631 OCCOc1c(ccnc1Cl)Cl 7a_100000118450_100000211926 [0,2,0,0,0,0|1,0,0]=3 13912 B12R1.1631 OCCOc1c(ccnc1Cl)F 34a_100009867227_100000211926 [0,2,0,0,0,0|1,0,0]=3 13913 B12R1.1631 OCCOc1c(ccnc1Cl)F 7a_100009867227_100000211926 [0,2,0,0,0,0|1,0,0]=3 13914 B12R1.1631 OCCOc1c(ccnc1Cl)I 34a_100010067911_100000211926 [0,2,0,0,0,0|1,0,0]=3 13915 B12R1.1631 OCCOc1c(ccnc1Cl)I 7a_100010067911_100000211926 [0,2,0,0,0,0|1,0,0]=3 13916 B12R1.1631 OCCOc1c(ncnc1Cl)Cl 34a_100009876168_100000211926 [0,2,0,0,0,0|2,0,0]=4 13917 B12R1.1631 OCCOc1c(ncnc1Cl)Cl 7a_100009876168_100000211926 [0,2,0,0,0,0|2,0,0]=4 13918 B12R1.1631 OCCSc1c(cccc1Br)Br 62a_100000211926_100009994525 [0,2,0,0,0,0|0,1,0]=3 13919 B12R1.1631 OCCSc1c(cccc1Br)Br 62a_100009994525_100000211926 [0,2,0,0,0,0|0,1,0]=3 13920 B12R1.1631 OCCSc1c(cccc1Br)Cl 62a_100000211926_100010214488 [0,2,0,0,0,0|0,1,0]=3 13921 B12R1.1631 OCCSc1c(cccc1Br)Cl 62a_100010214488_100000211926 [0,2,0,0,0,0|0,1,0]=3 13922 B12R1.1631 OCCSc1c(cccc1Br)F 62a_100000211926_100011219512 [0,2,0,0,0,0|0,1,0]=3 13923 B12R1.1631 OCCSc1c(cccc1Br)F 62a_100011219512_100000211926 [0,2,0,0,0,0|0,1,0]=3 13924 B12R1.1631 OCCSc1c(cccc1Br)O 62a_100000211926_100010187912 [0,2,0,0,0,0|0,1,0]=3 13925 B12R1.1631 OCCSc1c(cccc1Br)O 62a_100010187912_100000211926 [0,2,0,0,0,0|0,1,0]=3 13926 B12R1.1631 OCCSc1c(cccc1Cl)Cl 62a_100000034237_100000211926 [0,2,0,0,0,0|0,1,0]=3 13927 B12R1.1631 OCCSc1c(cccc1Cl)Cl 62a_100000211926_100000034237 [0,2,0,0,0,0|0,1,0]=3 13928 B12R1.1631 OCCSc1c(cccc1Cl)F 62a_100000050007_100000211926 [0,2,0,0,0,0|0,1,0]=3 13929 B12R1.1631 OCCSc1c(cccc1Cl)F 62a_100000211926_100000050007 [0,2,0,0,0,0|0,1,0]=3 13930 B12R1.1631 OCCSc1c(cccc1Cl)O 62a_100000211926_100000050174 [0,2,0,0,0,0|0,1,0]=3 13931 B12R1.1631 OCCSc1c(cccc1F)F 62a_100000211926_100000693133 [0,2,0,0,0,0|0,1,0]=3 13932 B12R1.1631 OCCSc1c(cccc1F)F 62a_100000693133_100000211926 [0,2,0,0,0,0|0,1,0]=3 13933 B12R1.1631 OCCSc1c(cccc1F)O 62a_100000211926_100009820682 [0,2,0,0,0,0|0,1,0]=3 13934 B12R1.1631 OCCSc1c(cccc1F)O 62a_100009820682_100000211926 [0,2,0,0,0,0|0,1,0]=3 13935 B12R1.1631 OCCSc1c(cccc1O)O 62a_100000211926_100010205330 [0,2,0,0,0,0|0,1,0]=3 13936 B12R1.1631 OCCSc1c(ccnc1Cl)Br 62a_100000211926_100009814607 [0,2,0,0,0,0|1,1,0]=4 13937 B12R1.1631 OCCSc1c(ccnc1Cl)Br 62a_100009814607_100000211926 [0,2,0,0,0,0|1,1,0]=4 13938 B12R1.1631 OCCSc1c(ccnc1Cl)Cl 62a_100000050019_100000211926 [0,2,0,0,0,0|1,1,0]=4 13939 B12R1.1631 OCCSc1c(ccnc1Cl)Cl 62a_100000211926_100000050019 [0,2,0,0,0,0|1,1,0]=4 13940 B12R1.1631 OCCSc1c(ccnc1Cl)F 62a_100000211926_100000716511 [0,2,0,0,0,0|1,1,0]=4 13941 B12R1.1631 OCCSc1c(ccnc1Cl)F 62a_100000716511_100000211926 [0,2,0,0,0,0|1,1,0]=4 13942 B12R1.1631 OCCSc1c(ccnc1F)F 62a_100000211926_100009874084 [0,2,0,0,0,0|1,1,0]=4 13943 B12R1.1631 OCCSc1c(ccnc1F)F 62a_100009874084_100000211926 [0,2,0,0,0,0|1,1,0]=4 13944 B12R1.1631 OCCSc1c(ccnc1O)O 62a_100000211926_200009817435 [0,2,0,0,0,0|1,1,0]=4 13945 B12R1.1631 OCCSc1c(cncc1Br)Br 62a_100000211926_100010172828 [0,2,0,0,0,0|1,1,0]=4 13946 B12R1.1631 OCCSc1c(cncc1Br)Br 62a_100010172828_100000211926 [0,2,0,0,0,0|1,1,0]=4 13947 B12R1.1631 OCCSc1c(cncc1Cl)Cl 62a_100000036193_100000211926 [0,2,0,0,0,0|1,1,0]=4 13948 B12R1.1631 OCCSc1c(cncc1Cl)Cl 62a_100000211926_100000036193 [0,2,0,0,0,0|1,1,0]=4 13949 B12R1.1631 OCCSc1c(cncc1F)F 62a_100000211926_100000760538 [0,2,0,0,0,0|1,1,0]=4 13950 B12R1.1631 OCCSc1c(cncc1F)F 62a_100000760538_100000211926 [0,2,0,0,0,0|1,1,0]=4 13951 B12R1.1631 Oc1cccc(c1NCCF)Br 34a_100011934926_100011217306 [0,2,0,0,0,0|2,0,0]=4 13952 B12R1.1631 Oc1cccc(c1NCCF)Cl 34a_100012022510_100011217306 [0,2,0,0,0,0|2,0,0]=4 13953 B12R1.1631 Oc1cccc(c1NCCF)F 34a_100020591140_100011217306 [0,2,0,0,0,0|2,0,0]=4 13954 B12R1.1631 Oc1cccc(c1SCCF)Br 62a_100010187912_100011217306 [0,2,0,0,0,0|1,1,0]=4 13955 B12R1.1631 Oc1cccc(c1SCCF)Br 62a_100011217306_100010187912 [0,2,0,0,0,0|1,1,0]=4 13956 B12R1.1631 Oc1cccc(c1SCCF)Cl 62a_100011217306_100000050174 [0,2,0,0,0,0|1,1,0]=4 13957 B12R1.1631 Oc1cccc(c1SCCF)F 62a_100009820682_100011217306 [0,2,0,0,0,0|1,1,0]=4 13958 B12R1.1631 Oc1cccc(c1SCCF)F 62a_100011217306_100009820682 [0,2,0,0,0,0|1,1,0]=4 13959 B12R1.1631 Oc1cccc(c1SCCF)O 62a_100011217306_100010205330 [0,2,0,0,0,0|1,1,0]=4 13960 B12R1.28 BrCCOCc1cc(ccn1)Br 34a_100000211926_100010173614 [0,2,0,0,0,0|2,0,0]=4 13961 B12R1.28 BrCCOCc1cccc(c1)Br 34a_100000211926_100000698116 [0,2,0,0,0,0|1,0,0]=3 13962 B12R1.28 BrCCOCc1cccc(c1)I 34a_100000211926_100011218688 [0,2,0,0,0,0|1,0,0]=3 13963 B12R1.28 BrCCOCc1cccc(n1)Br 34a_100000211926_100009889011 [0,2,0,0,0,0|2,0,0]=4 13964 B12R1.28 BrCCOCc1ccnc(c1)Br 34a_100000211926_100010243470 [0,2,0,0,0,0|2,0,0]=4 13965 B12R1.28 BrCCOCc1cncc(c1)Br 34a_100000211926_100000738771 [0,2,0,0,0,0|2,0,0]=4 13966 B12R1.28 C#CCCNc1cccc(c1)Br 34a_100000210019_100000688953 [0,2,0,0,0,0|2,0,0]=4 13967 B12R1.28 C#CCCNc1cccc(c1)C 2230a_100000188690_100000688953 [0,2,0,0,0,0|2,0,0]=4 13968 B12R1.28 C#CCCNc1cccc(c1)C 34a_100000188690_100000688953 [0,2,0,0,0,0|2,0,0]=4 13969 B12R1.28 C#CCCNc1cccc(c1)Cl 34a_100000185859_100000688953 [0,2,0,0,0,0|2,0,0]=4 13970 B12R1.28 C#CCCNc1cccc(c1)F 34a_100000210047_100000688953 [0,2,0,0,0,0|2,0,0]=4 13971 B12R1.28 C#CCCNc1cccc(c1)I 34a_100000211102_100000688953 [0,2,0,0,0,0|2,0,0]=4 13972 B12R1.28 C#CCCNc1cccc(c1)O 34a_100000210217_100000688953 [0,2,0,0,0,0|2,0,0]=4 13973 B12R1.28 C#CCCOc1cc[nH]c(=O)c1 34a_100000032262_100000688953 [0,2,0,0,0,0|2,0,0]=4 13974 B12R1.28 C#CCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000688953 [0,2,0,0,0,0|2,0,0]=4 13975 B12R1.28 C#CCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000688953 [0,2,0,0,0,0|2,0,0]=4 13976 B12R1.28 C#CCCOc1cccc(=O)[nH]1 34a_100000033347_100000688953 [0,2,0,0,0,0|2,0,0]=4 13977 B12R1.28 C#CCCOc1cccc(c1)Br 34a_100000210342_100000688953 [0,2,0,0,0,0|1,0,0]=3 13978 B12R1.28 C#CCCOc1cccc(c1)Br 7a_100000210342_100000688953 [0,2,0,0,0,0|1,0,0]=3 13979 B12R1.28 C#CCCOc1cccc(c1)C 34a_100000210337_100000688953 [0,2,0,0,0,0|1,0,0]=3 13980 B12R1.28 C#CCCOc1cccc(c1)C 7a_100000210337_100000688953 [0,2,0,0,0,0|1,0,0]=3 13981 B12R1.28 C#CCCOc1cccc(c1)Cl 34a_100000210295_100000688953 [0,2,0,0,0,0|1,0,0]=3 13982 B12R1.28 C#CCCOc1cccc(c1)Cl 7a_100000210295_100000688953 [0,2,0,0,0,0|1,0,0]=3 13983 B12R1.28 C#CCCOc1cccc(c1)F 34a_100000210426_100000688953 [0,2,0,0,0,0|1,0,0]=3 13984 B12R1.28 C#CCCOc1cccc(c1)F 7a_100000210426_100000688953 [0,2,0,0,0,0|1,0,0]=3 13985 B12R1.28 C#CCCOc1cccc(c1)I 34a_100000211634_100000688953 [0,2,0,0,0,0|1,0,0]=3 13986 B12R1.28 C#CCCOc1cccc(c1)I 7a_100000211634_100000688953 [0,2,0,0,0,0|1,0,0]=3 13987 B12R1.28 C#CCCOc1cccc(c1)N 34a_100000210217_100000688953 [0,2,0,0,0,0|1,0,0]=3 13988 B12R1.28 C#CCCOc1cccc(n1)F 34a_100011432558_100000688953 [0,2,0,0,0,0|2,0,0]=4 13989 B12R1.28 C#CCCOc1ccnc(c1)C 34a_100000688365_100000688953 [0,2,0,0,0,0|2,0,0]=4 13990 B12R1.28 C#CCCOc1ccnc(c1)Cl 34a_100000762945_100000688953 [0,2,0,0,0,0|2,0,0]=4 13991 B12R1.28 C#CCCOc1ccnc(c1)F 34a_100000732698_100000688953 [0,2,0,0,0,0|2,0,0]=4 13992 B12R1.28 C#CCCOc1ccnc(c1)N 34a_100011834064_100000688953 [0,2,0,0,0,0|2,0,0]=4 13993 B12R1.28 C#CCCOc1cncc(c1)Br 34a_100000754920_100000688953 [0,2,0,0,0,0|2,0,0]=4 13994 B12R1.28 C#CCCOc1cncc(c1)Br 7a_100000754920_100000688953 [0,2,0,0,0,0|2,0,0]=4 13995 B12R1.28 C#CCCOc1cncc(c1)C 34a_100011830280_100000688953 [0,2,0,0,0,0|2,0,0]=4 13996 B12R1.28 C#CCCOc1cncc(c1)C 7a_100011830280_100000688953 [0,2,0,0,0,0|2,0,0]=4 13997 B12R1.28 C#CCCOc1cncc(c1)Cl 7a_100000032511_100000688953 [0,2,0,0,0,0|2,0,0]=4 13998 B12R1.28 C#CCCOc1cncc(c1)F 34a_100011830296_100000688953 [0,2,0,0,0,0|2,0,0]=4 13999 B12R1.28 C#CCCOc1cncc(c1)F 7a_100011830296_100000688953 [0,2,0,0,0,0|2,0,0]=4 14000 B12R1.28 C#CCCOc1cncc(c1)N 34a_100011997051_100000688953 [0,2,0,0,0,0|2,0,0]=4 14001 B12R1.28 C#CCCSc1cccc(c1)Br 62a_100000688953_100000691529 [0,2,0,0,0,0|1,1,0]=4 14002 B12R1.28 C#CCCSc1cccc(c1)Br 62a_100000691529_100000688953 [0,2,0,0,0,0|1,1,0]=4 14003 B12R1.28 C#CCCSc1cccc(c1)C 62a_100000688953_100011215228 [0,2,0,0,0,0|1,1,0]=4 14004 B12R1.28 C#CCCSc1cccc(c1)C 62a_100011215228_100000688953 [0,2,0,0,0,0|1,1,0]=4 14005 B12R1.28 C#CCCSc1cccc(c1)Cl 62a_100000688953_100000699651 [0,2,0,0,0,0|1,1,0]=4 14006 B12R1.28 C#CCCSc1cccc(c1)Cl 62a_100000699651_100000688953 [0,2,0,0,0,0|1,1,0]=4 14007 B12R1.28 C#CCCSc1cccc(c1)F 62a_100000685547_100000688953 [0,2,0,0,0,0|1,1,0]=4 14008 B12R1.28 C#CCCSc1cccc(c1)F 62a_100000688953_100000685547 [0,2,0,0,0,0|1,1,0]=4 14009 B12R1.28 C#CCCSc1cccc(c1)N 62a_100000210019_100000688953 [0,2,0,0,0,0|1,1,0]=4 14010 B12R1.28 C#CCCSc1cccc(c1)N 62a_100000688953_100000210019 [0,2,0,0,0,0|1,1,0]=4 14011 B12R1.28 C#CCCSc1cccc(c1)O 62a_100000688953_100000211634 [0,2,0,0,0,0|1,1,0]=4 14012 B12R1.28 C#CCCSc1cccc(c1)[S] 62a_100000688953_114929384022 [0,2,0,0,0,0|1,1,0]=4 14013 B12R1.28 C#CCCSc1cccc(c1)[S] 62a_114929384022_100000688953 [0,2,0,0,0,0|1,1,0]=4 14014 B12R1.28 C#CCOCc1cccc(c1)Br 34a_100000210247_100000698116 [0,2,0,0,0,0|1,0,1]=4 14015 B12R1.28 C#CCOCc1cccc(c1)Br 34a_100000687537_100000184674 [0,2,0,0,0,0|1,0,1]=4 14016 B12R1.28 C#CCOCc1cccc(c1)Br 7a_100000687537_100000038162 [0,2,0,0,0,0|1,0,1]=4 14017 B12R1.28 C#CCOCc1cccc(c1)C 34a_100000210247_100000211840 [0,2,0,0,0,0|1,0,1]=4 14018 B12R1.28 C#CCOCc1cccc(c1)C 34a_100011217746_100000184674 [0,2,0,0,0,0|1,0,1]=4 14019 B12R1.28 C#CCOCc1cccc(c1)C 7a_100011217746_100000038162 [0,2,0,0,0,0|1,0,1]=4 14020 B12R1.28 C#CCOCc1cccc(c1)Cl 34a_100000210247_100000187163 [0,2,0,0,0,0|1,0,1]=4 14021 B12R1.28 C#CCOCc1cccc(c1)Cl 34a_100000241301_100000184674 [0,2,0,0,0,0|1,0,1]=4 14022 B12R1.28 C#CCOCc1cccc(c1)Cl 7a_100000241301_100000038162 [0,2,0,0,0,0|1,0,1]=4 14023 B12R1.28 C#CCOCc1cccc(c1)F 34a_100000210247_100000187166 [0,2,0,0,0,0|1,0,1]=4 14024 B12R1.28 C#CCOCc1cccc(c1)F 34a_100000210976_100000184674 [0,2,0,0,0,0|1,0,1]=4 14025 B12R1.28 C#CCOCc1cccc(c1)F 7a_100000210976_100000038162 [0,2,0,0,0,0|1,0,1]=4 14026 B12R1.28 C#CCOCc1cccc(c1)I 34a_100000210247_100011218688 [0,2,0,0,0,0|1,0,1]=4 14027 B12R1.28 C#CCOCc1cccc(c1)I 34a_100011215336_100000184674 [0,2,0,0,0,0|1,0,1]=4 14028 B12R1.28 C#CCOCc1cccc(c1)I 7a_100011215336_100000038162 [0,2,0,0,0,0|1,0,1]=4 14029 B12R1.28 C#CCOCc1cccc(c1)N 34a_100000211919_100000184674 [0,2,0,0,0,0|1,0,1]=4 14030 B12R1.28 C#CCOCc1cccc(c1)O 34a_100000210247_100011660834 [0,2,0,0,0,0|1,0,1]=4 14031 B12R1.28 C/C=C/COc1cccc(c1)Br 34a_100000210342_100102629194 [0,2,0,0,0,0|1,0,1]=4 14032 B12R1.28 C/C=C/COc1cccc(c1)Br 7a_100000210342_100102629194 [0,2,0,0,0,0|1,0,1]=4 14033 B12R1.28 C/C=C/COc1cccc(c1)C 34a_100000210337_100102629194 [0,2,0,0,0,0|1,0,1]=4 14034 B12R1.28 C/C=C/COc1cccc(c1)C 7a_100000210337_100102629194 [0,2,0,0,0,0|1,0,1]=4 14035 B12R1.28 C/C=C/COc1cccc(c1)Cl 34a_100000210295_100102629194 [0,2,0,0,0,0|1,0,1]=4 14036 B12R1.28 C/C=C/COc1cccc(c1)Cl 7a_100000210295_100102629194 [0,2,0,0,0,0|1,0,1]=4 14037 B12R1.28 C/C=C/COc1cccc(c1)F 34a_100000210426_100102629194 [0,2,0,0,0,0|1,0,1]=4 14038 B12R1.28 C/C=C/COc1cccc(c1)F 7a_100000210426_100102629194 [0,2,0,0,0,0|1,0,1]=4 14039 B12R1.28 C/C=C/COc1cccc(c1)I 34a_100000211634_100102629194 [0,2,0,0,0,0|1,0,1]=4 14040 B12R1.28 C/C=C/COc1cccc(c1)I 7a_100000211634_100102629194 [0,2,0,0,0,0|1,0,1]=4 14041 B12R1.28 C/C=C/COc1cccc(c1)N 34a_100000210217_100102629194 [0,2,0,0,0,0|1,0,1]=4 14042 B12R1.28 C=CCCNc1cccc(c1)Br 34a_100000210019_100000754431 [0,2,0,0,0,0|2,0,0]=4 14043 B12R1.28 C=CCCNc1cccc(c1)C 2230a_100000188690_100000754431 [0,2,0,0,0,0|2,0,0]=4 14044 B12R1.28 C=CCCNc1cccc(c1)C 34a_100000188690_100000754431 [0,2,0,0,0,0|2,0,0]=4 14045 B12R1.28 C=CCCNc1cccc(c1)Cl 34a_100000185859_100000754431 [0,2,0,0,0,0|2,0,0]=4 14046 B12R1.28 C=CCCNc1cccc(c1)F 34a_100000210047_100000754431 [0,2,0,0,0,0|2,0,0]=4 14047 B12R1.28 C=CCCNc1cccc(c1)I 34a_100000211102_100000754431 [0,2,0,0,0,0|2,0,0]=4 14048 B12R1.28 C=CCCNc1cccc(c1)O 34a_100000210217_100000754431 [0,2,0,0,0,0|2,0,0]=4 14049 B12R1.28 C=CCCOc1cc[nH]c(=O)c1 34a_100000032262_100000754431 [0,2,0,0,0,0|2,0,0]=4 14050 B12R1.28 C=CCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000754431 [0,2,0,0,0,0|2,0,0]=4 14051 B12R1.28 C=CCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000754431 [0,2,0,0,0,0|2,0,0]=4 14052 B12R1.28 C=CCCOc1cccc(=O)[nH]1 34a_100000033347_100000754431 [0,2,0,0,0,0|2,0,0]=4 14053 B12R1.28 C=CCCOc1cccc(c1)Br 34a_100000210342_100000754431 [0,2,0,0,0,0|1,0,0]=3 14054 B12R1.28 C=CCCOc1cccc(c1)Br 7a_100000210342_100000754431 [0,2,0,0,0,0|1,0,0]=3 14055 B12R1.28 C=CCCOc1cccc(c1)C 34a_100000210337_100000754431 [0,2,0,0,0,0|1,0,0]=3 14056 B12R1.28 C=CCCOc1cccc(c1)C 7a_100000210337_100000754431 [0,2,0,0,0,0|1,0,0]=3 14057 B12R1.28 C=CCCOc1cccc(c1)Cl 34a_100000210295_100000754431 [0,2,0,0,0,0|1,0,0]=3 14058 B12R1.28 C=CCCOc1cccc(c1)Cl 7a_100000210295_100000754431 [0,2,0,0,0,0|1,0,0]=3 14059 B12R1.28 C=CCCOc1cccc(c1)F 34a_100000210426_100000754431 [0,2,0,0,0,0|1,0,0]=3 14060 B12R1.28 C=CCCOc1cccc(c1)F 7a_100000210426_100000754431 [0,2,0,0,0,0|1,0,0]=3 14061 B12R1.28 C=CCCOc1cccc(c1)I 34a_100000211634_100000754431 [0,2,0,0,0,0|1,0,0]=3 14062 B12R1.28 C=CCCOc1cccc(c1)I 7a_100000211634_100000754431 [0,2,0,0,0,0|1,0,0]=3 14063 B12R1.28 C=CCCOc1cccc(c1)N 34a_100000210217_100000754431 [0,2,0,0,0,0|1,0,0]=3 14064 B12R1.28 C=CCCOc1cccc(n1)F 34a_100011432558_100000754431 [0,2,0,0,0,0|2,0,0]=4 14065 B12R1.28 C=CCCOc1ccnc(c1)C 34a_100000688365_100000754431 [0,2,0,0,0,0|2,0,0]=4 14066 B12R1.28 C=CCCOc1ccnc(c1)Cl 34a_100000762945_100000754431 [0,2,0,0,0,0|2,0,0]=4 14067 B12R1.28 C=CCCOc1ccnc(c1)F 34a_100000732698_100000754431 [0,2,0,0,0,0|2,0,0]=4 14068 B12R1.28 C=CCCOc1ccnc(c1)N 34a_100011834064_100000754431 [0,2,0,0,0,0|2,0,0]=4 14069 B12R1.28 C=CCCOc1cncc(c1)Br 34a_100000754920_100000754431 [0,2,0,0,0,0|2,0,0]=4 14070 B12R1.28 C=CCCOc1cncc(c1)Br 7a_100000754920_100000754431 [0,2,0,0,0,0|2,0,0]=4 14071 B12R1.28 C=CCCOc1cncc(c1)C 34a_100011830280_100000754431 [0,2,0,0,0,0|2,0,0]=4 14072 B12R1.28 C=CCCOc1cncc(c1)C 7a_100011830280_100000754431 [0,2,0,0,0,0|2,0,0]=4 14073 B12R1.28 C=CCCOc1cncc(c1)Cl 7a_100000032511_100000754431 [0,2,0,0,0,0|2,0,0]=4 14074 B12R1.28 C=CCCOc1cncc(c1)F 34a_100011830296_100000754431 [0,2,0,0,0,0|2,0,0]=4 14075 B12R1.28 C=CCCOc1cncc(c1)F 7a_100011830296_100000754431 [0,2,0,0,0,0|2,0,0]=4 14076 B12R1.28 C=CCCOc1cncc(c1)N 34a_100011997051_100000754431 [0,2,0,0,0,0|2,0,0]=4 14077 B12R1.28 C=CCCSc1cccc(c1)Br 62a_100000691529_100000754431 [0,2,0,0,0,0|1,1,0]=4 14078 B12R1.28 C=CCCSc1cccc(c1)Br 62a_100000754431_100000691529 [0,2,0,0,0,0|1,1,0]=4 14079 B12R1.28 C=CCCSc1cccc(c1)C 62a_100000754431_100011215228 [0,2,0,0,0,0|1,1,0]=4 14080 B12R1.28 C=CCCSc1cccc(c1)C 62a_100011215228_100000754431 [0,2,0,0,0,0|1,1,0]=4 14081 B12R1.28 C=CCCSc1cccc(c1)Cl 62a_100000699651_100000754431 [0,2,0,0,0,0|1,1,0]=4 14082 B12R1.28 C=CCCSc1cccc(c1)Cl 62a_100000754431_100000699651 [0,2,0,0,0,0|1,1,0]=4 14083 B12R1.28 C=CCCSc1cccc(c1)F 62a_100000685547_100000754431 [0,2,0,0,0,0|1,1,0]=4 14084 B12R1.28 C=CCCSc1cccc(c1)F 62a_100000754431_100000685547 [0,2,0,0,0,0|1,1,0]=4 14085 B12R1.28 C=CCCSc1cccc(c1)N 62a_100000210019_100000754431 [0,2,0,0,0,0|1,1,0]=4 14086 B12R1.28 C=CCCSc1cccc(c1)N 62a_100000754431_100000210019 [0,2,0,0,0,0|1,1,0]=4 14087 B12R1.28 C=CCCSc1cccc(c1)O 62a_100000754431_100000211634 [0,2,0,0,0,0|1,1,0]=4 14088 B12R1.28 C=CCCSc1cccc(c1)[S] 62a_100000754431_114929384022 [0,2,0,0,0,0|1,1,0]=4 14089 B12R1.28 C=CCCSc1cccc(c1)[S] 62a_114929384022_100000754431 [0,2,0,0,0,0|1,1,0]=4 14090 B12R1.28 C=CCOCc1cccc(c1)Br 34a_100000687537_100015514636 [0,2,0,0,0,0|1,0,1]=4 14091 B12R1.28 C=CCOCc1cccc(c1)Br 34a_200000210373_100000698116 [0,2,0,0,0,0|1,0,1]=4 14092 B12R1.28 C=CCOCc1cccc(c1)Br 7a_100000687537_100015514636 [0,2,0,0,0,0|1,0,1]=4 14093 B12R1.28 C=CCOCc1cccc(c1)C 34a_100011217746_100015514636 [0,2,0,0,0,0|1,0,1]=4 14094 B12R1.28 C=CCOCc1cccc(c1)C 34a_200000210373_100000211840 [0,2,0,0,0,0|1,0,1]=4 14095 B12R1.28 C=CCOCc1cccc(c1)C 7a_100011217746_100015514636 [0,2,0,0,0,0|1,0,1]=4 14096 B12R1.28 C=CCOCc1cccc(c1)Cl 34a_100000241301_100015514636 [0,2,0,0,0,0|1,0,1]=4 14097 B12R1.28 C=CCOCc1cccc(c1)Cl 34a_200000210373_100000187163 [0,2,0,0,0,0|1,0,1]=4 14098 B12R1.28 C=CCOCc1cccc(c1)Cl 7a_100000241301_100015514636 [0,2,0,0,0,0|1,0,1]=4 14099 B12R1.28 C=CCOCc1cccc(c1)F 34a_100000210976_100015514636 [0,2,0,0,0,0|1,0,1]=4 14100 B12R1.28 C=CCOCc1cccc(c1)F 34a_200000210373_100000187166 [0,2,0,0,0,0|1,0,1]=4 14101 B12R1.28 C=CCOCc1cccc(c1)F 7a_100000210976_100015514636 [0,2,0,0,0,0|1,0,1]=4 14102 B12R1.28 C=CCOCc1cccc(c1)I 34a_100011215336_100015514636 [0,2,0,0,0,0|1,0,1]=4 14103 B12R1.28 C=CCOCc1cccc(c1)I 34a_200000210373_100011218688 [0,2,0,0,0,0|1,0,1]=4 14104 B12R1.28 C=CCOCc1cccc(c1)I 7a_100011215336_100015514636 [0,2,0,0,0,0|1,0,1]=4 14105 B12R1.28 C=CCOCc1cccc(c1)N 34a_100000211919_100015514636 [0,2,0,0,0,0|1,0,1]=4 14106 B12R1.28 C=CCOCc1cccc(c1)O 34a_200000210373_100011660834 [0,2,0,0,0,0|1,0,1]=4 14107 B12R1.28 CC#CCOc1cccc(c1)Br 34a_100000210342_100000748600 [0,2,0,0,0,0|1,0,1]=4 14108 B12R1.28 CC#CCOc1cccc(c1)Br 7a_100000210342_100000748600 [0,2,0,0,0,0|1,0,1]=4 14109 B12R1.28 CC#CCOc1cccc(c1)C 34a_100000210337_100000748600 [0,2,0,0,0,0|1,0,1]=4 14110 B12R1.28 CC#CCOc1cccc(c1)C 7a_100000210337_100000748600 [0,2,0,0,0,0|1,0,1]=4 14111 B12R1.28 CC#CCOc1cccc(c1)Cl 34a_100000210295_100000748600 [0,2,0,0,0,0|1,0,1]=4 14112 B12R1.28 CC#CCOc1cccc(c1)Cl 7a_100000210295_100000748600 [0,2,0,0,0,0|1,0,1]=4 14113 B12R1.28 CC#CCOc1cccc(c1)F 34a_100000210426_100000748600 [0,2,0,0,0,0|1,0,1]=4 14114 B12R1.28 CC#CCOc1cccc(c1)F 7a_100000210426_100000748600 [0,2,0,0,0,0|1,0,1]=4 14115 B12R1.28 CC#CCOc1cccc(c1)I 34a_100000211634_100000748600 [0,2,0,0,0,0|1,0,1]=4 14116 B12R1.28 CC#CCOc1cccc(c1)I 7a_100000211634_100000748600 [0,2,0,0,0,0|1,0,1]=4 14117 B12R1.28 CC#CCOc1cccc(c1)N 34a_100000210217_100000748600 [0,2,0,0,0,0|1,0,1]=4 14118 B12R1.28 CC=CCOc1cccc(c1)Br 34a_100000210342_100000070051 [0,2,0,0,0,0|1,0,1]=4 14119 B12R1.28 CC=CCOc1cccc(c1)Br 7a_100000210342_100000070051 [0,2,0,0,0,0|1,0,1]=4 14120 B12R1.28 CC=CCOc1cccc(c1)C 34a_100000210337_100000070051 [0,2,0,0,0,0|1,0,1]=4 14121 B12R1.28 CC=CCOc1cccc(c1)C 7a_100000210337_100000070051 [0,2,0,0,0,0|1,0,1]=4 14122 B12R1.28 CC=CCOc1cccc(c1)Cl 34a_100000210295_100000070051 [0,2,0,0,0,0|1,0,1]=4 14123 B12R1.28 CC=CCOc1cccc(c1)Cl 7a_100000210295_100000070051 [0,2,0,0,0,0|1,0,1]=4 14124 B12R1.28 CC=CCOc1cccc(c1)F 34a_100000210426_100000070051 [0,2,0,0,0,0|1,0,1]=4 14125 B12R1.28 CC=CCOc1cccc(c1)F 7a_100000210426_100000070051 [0,2,0,0,0,0|1,0,1]=4 14126 B12R1.28 CC=CCOc1cccc(c1)I 34a_100000211634_100000070051 [0,2,0,0,0,0|1,0,1]=4 14127 B12R1.28 CC=CCOc1cccc(c1)I 7a_100000211634_100000070051 [0,2,0,0,0,0|1,0,1]=4 14128 B12R1.28 CC=CCOc1cccc(c1)N 34a_100000210217_100000070051 [0,2,0,0,0,0|1,0,1]=4 14129 B12R1.28 CCCC=Cc1cccc(c1)Br 271570a_100016258520_100000691529 [0,2,0,0,0,0|2,0,0]=4 14130 B12R1.28 CCCC=Cc1cccc(c1)C 271570a_100016258520_100011215228 [0,2,0,0,0,0|2,0,0]=4 14131 B12R1.28 CCCC=Cc1cccc(c1)Cl 271570a_100016258520_100000699651 [0,2,0,0,0,0|2,0,0]=4 14132 B12R1.28 CCCC=Cc1cccc(c1)F 271570a_100016258520_100000685547 [0,2,0,0,0,0|2,0,0]=4 14133 B12R1.28 CCCC=Cc1cccc(c1)N 271570a_100016258520_100000210019 [0,2,0,0,0,0|2,0,0]=4 14134 B12R1.28 CCCC=Cc1cccc(c1)O 271570a_100016258520_100000211634 [0,2,0,0,0,0|2,0,0]=4 14135 B12R1.28 CCCC=Cc1cccc(c1)[S] 271570a_100016258520_114929384022 [0,2,0,0,0,0|2,0,0]=4 14136 B12R1.28 CCCCNc1cccc(c1)Br 34a_100000210019_100000210210 [0,2,0,0,0,0|2,0,0]=4 14137 B12R1.28 CCCCNc1cccc(c1)C 2230a_100000188690_100000210211 [0,2,0,0,0,0|2,0,0]=4 14138 B12R1.28 CCCCNc1cccc(c1)C 34a_100000188690_100000210210 [0,2,0,0,0,0|2,0,0]=4 14139 B12R1.28 CCCCNc1cccc(c1)Cl 34a_100000185859_100000210210 [0,2,0,0,0,0|2,0,0]=4 14140 B12R1.28 CCCCNc1cccc(c1)F 34a_100000210047_100000210210 [0,2,0,0,0,0|2,0,0]=4 14141 B12R1.28 CCCCNc1cccc(c1)I 34a_100000211102_100000210210 [0,2,0,0,0,0|2,0,0]=4 14142 B12R1.28 CCCCNc1cccc(c1)O 34a_100000210217_100000210210 [0,2,0,0,0,0|2,0,0]=4 14143 B12R1.28 CCCCOc1cc[nH]c(=O)c1 34a_100000032262_100000210210 [0,2,0,0,0,0|2,0,0]=4 14144 B12R1.28 CCCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000210210 [0,2,0,0,0,0|2,0,0]=4 14145 B12R1.28 CCCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000210211 [0,2,0,0,0,0|2,0,0]=4 14146 B12R1.28 CCCCOc1cccc(=O)[nH]1 34a_100000033347_100000210210 [0,2,0,0,0,0|2,0,0]=4 14147 B12R1.28 CCCCOc1cccc(c1)Br 34a_100000210342_100000210210 [0,2,0,0,0,0|1,0,0]=3 14148 B12R1.28 CCCCOc1cccc(c1)Br 7a_100000210342_100000210211 [0,2,0,0,0,0|1,0,0]=3 14149 B12R1.28 CCCCOc1cccc(c1)C 34a_100000210337_100000210210 [0,2,0,0,0,0|1,0,0]=3 14150 B12R1.28 CCCCOc1cccc(c1)C 7a_100000210337_100000210211 [0,2,0,0,0,0|1,0,0]=3 14151 B12R1.28 CCCCOc1cccc(c1)Cl 34a_100000210295_100000210210 [0,2,0,0,0,0|1,0,0]=3 14152 B12R1.28 CCCCOc1cccc(c1)Cl 7a_100000210295_100000210211 [0,2,0,0,0,0|1,0,0]=3 14153 B12R1.28 CCCCOc1cccc(c1)F 34a_100000210426_100000210210 [0,2,0,0,0,0|1,0,0]=3 14154 B12R1.28 CCCCOc1cccc(c1)F 7a_100000210426_100000210211 [0,2,0,0,0,0|1,0,0]=3 14155 B12R1.28 CCCCOc1cccc(c1)I 34a_100000211634_100000210210 [0,2,0,0,0,0|1,0,0]=3 14156 B12R1.28 CCCCOc1cccc(c1)I 7a_100000211634_100000210211 [0,2,0,0,0,0|1,0,0]=3 14157 B12R1.28 CCCCOc1cccc(c1)N 34a_100000210217_100000210210 [0,2,0,0,0,0|1,0,0]=3 14158 B12R1.28 CCCCOc1cccc(c1)O 271570a_203496583355_200011212284 [0,2,0,0,0,0|1,0,0]=3 14159 B12R1.28 CCCCOc1cccc(n1)F 34a_100011432558_100000210210 [0,2,0,0,0,0|2,0,0]=4 14160 B12R1.28 CCCCOc1cccc(n1)O 271570a_203496583355_200011960251 [0,2,0,0,0,0|2,0,0]=4 14161 B12R1.28 CCCCOc1ccnc(c1)C 34a_100000688365_100000210210 [0,2,0,0,0,0|2,0,0]=4 14162 B12R1.28 CCCCOc1ccnc(c1)Cl 34a_100000762945_100000210210 [0,2,0,0,0,0|2,0,0]=4 14163 B12R1.28 CCCCOc1ccnc(c1)F 34a_100000732698_100000210210 [0,2,0,0,0,0|2,0,0]=4 14164 B12R1.28 CCCCOc1ccnc(c1)N 34a_100011834064_100000210210 [0,2,0,0,0,0|2,0,0]=4 14165 B12R1.28 CCCCOc1cncc(c1)Br 34a_100000754920_100000210210 [0,2,0,0,0,0|2,0,0]=4 14166 B12R1.28 CCCCOc1cncc(c1)Br 7a_100000754920_100000210211 [0,2,0,0,0,0|2,0,0]=4 14167 B12R1.28 CCCCOc1cncc(c1)C 34a_100011830280_100000210210 [0,2,0,0,0,0|2,0,0]=4 14168 B12R1.28 CCCCOc1cncc(c1)C 7a_100011830280_100000210211 [0,2,0,0,0,0|2,0,0]=4 14169 B12R1.28 CCCCOc1cncc(c1)Cl 7a_100000032511_100000210211 [0,2,0,0,0,0|2,0,0]=4 14170 B12R1.28 CCCCOc1cncc(c1)F 34a_100011830296_100000210210 [0,2,0,0,0,0|2,0,0]=4 14171 B12R1.28 CCCCOc1cncc(c1)F 7a_100011830296_100000210211 [0,2,0,0,0,0|2,0,0]=4 14172 B12R1.28 CCCCOc1cncc(c1)N 34a_100011997051_100000210210 [0,2,0,0,0,0|2,0,0]=4 14173 B12R1.28 CCCCSc1cccc(c1)Br 62a_100000210211_100000691529 [0,2,0,0,0,0|1,1,0]=4 14174 B12R1.28 CCCCSc1cccc(c1)Br 62a_100000691529_100000210210 [0,2,0,0,0,0|1,1,0]=4 14175 B12R1.28 CCCCSc1cccc(c1)C 62a_100000210211_100011215228 [0,2,0,0,0,0|1,1,0]=4 14176 B12R1.28 CCCCSc1cccc(c1)C 62a_100011215228_100000210210 [0,2,0,0,0,0|1,1,0]=4 14177 B12R1.28 CCCCSc1cccc(c1)Cl 62a_100000210211_100000699651 [0,2,0,0,0,0|1,1,0]=4 14178 B12R1.28 CCCCSc1cccc(c1)Cl 62a_100000699651_100000210210 [0,2,0,0,0,0|1,1,0]=4 14179 B12R1.28 CCCCSc1cccc(c1)F 62a_100000210211_100000685547 [0,2,0,0,0,0|1,1,0]=4 14180 B12R1.28 CCCCSc1cccc(c1)F 62a_100000685547_100000210210 [0,2,0,0,0,0|1,1,0]=4 14181 B12R1.28 CCCCSc1cccc(c1)N 62a_100000210019_100000210210 [0,2,0,0,0,0|1,1,0]=4 14182 B12R1.28 CCCCSc1cccc(c1)N 62a_100000210211_100000210019 [0,2,0,0,0,0|1,1,0]=4 14183 B12R1.28 CCCCSc1cccc(c1)O 271570a_203496583355_100010128134 [0,2,0,0,0,0|1,1,0]=4 14184 B12R1.28 CCCCSc1cccc(c1)O 62a_100000210211_100000211634 [0,2,0,0,0,0|1,1,0]=4 14185 B12R1.28 CCCCSc1cccc(c1)[S] 62a_100000210211_114929384022 [0,2,0,0,0,0|1,1,0]=4 14186 B12R1.28 CCCCSc1cccc(c1)[S] 62a_114929384022_100000210210 [0,2,0,0,0,0|1,1,0]=4 14187 B12R1.28 CCCNCc1cccc(c1)Br 207a_100020643023_100000210085 [0,2,0,0,0,0|2,0,0]=4 14188 B12R1.28 CCCNCc1cccc(c1)Br 2230a_100000174977_100000210303 [0,2,0,0,0,0|2,0,0]=4 14189 B12R1.28 CCCNCc1cccc(c1)Br 270004a_100020643023_100000210085 [0,2,0,0,0,0|2,0,0]=4 14190 B12R1.28 CCCNCc1cccc(c1)Br 34a_100000174977_100000210303 [0,2,0,0,0,0|2,0,0]=4 14191 B12R1.28 CCCNCc1cccc(c1)C 207a_100020643023_100000211157 [0,2,0,0,0,0|2,0,0]=4 14192 B12R1.28 CCCNCc1cccc(c1)C 2230a_100000185548_100000210303 [0,2,0,0,0,0|2,0,0]=4 14193 B12R1.28 CCCNCc1cccc(c1)C 270004a_100020643023_100000211157 [0,2,0,0,0,0|2,0,0]=4 14194 B12R1.28 CCCNCc1cccc(c1)C 34a_100000185548_100000210303 [0,2,0,0,0,0|2,0,0]=4 14195 B12R1.28 CCCNCc1cccc(c1)Cl 207a_100020643023_100000210801 [0,2,0,0,0,0|2,0,0]=4 14196 B12R1.28 CCCNCc1cccc(c1)Cl 2230a_100000174878_100000210303 [0,2,0,0,0,0|2,0,0]=4 14197 B12R1.28 CCCNCc1cccc(c1)Cl 270004a_100020643023_100000210801 [0,2,0,0,0,0|2,0,0]=4 14198 B12R1.28 CCCNCc1cccc(c1)Cl 34a_100000174878_100000210303 [0,2,0,0,0,0|2,0,0]=4 14199 B12R1.28 CCCNCc1cccc(c1)F 207a_100020643023_100000210812 [0,2,0,0,0,0|2,0,0]=4 14200 B12R1.28 CCCNCc1cccc(c1)F 2230a_100000174948_100000210303 [0,2,0,0,0,0|2,0,0]=4 14201 B12R1.28 CCCNCc1cccc(c1)F 270004a_100020643023_100000210812 [0,2,0,0,0,0|2,0,0]=4 14202 B12R1.28 CCCNCc1cccc(c1)F 34a_100000174948_100000210303 [0,2,0,0,0,0|2,0,0]=4 14203 B12R1.28 CCCNCc1cccc(c1)I 207a_100020643023_100000014684 [0,2,0,0,0,0|2,0,0]=4 14204 B12R1.28 CCCNCc1cccc(c1)I 2230a_100000106179_100000210303 [0,2,0,0,0,0|2,0,0]=4 14205 B12R1.28 CCCNCc1cccc(c1)I 270004a_100020643023_100000014684 [0,2,0,0,0,0|2,0,0]=4 14206 B12R1.28 CCCNCc1cccc(c1)I 34a_100000106179_100000210303 [0,2,0,0,0,0|2,0,0]=4 14207 B12R1.28 CCCNCc1cccc(c1)O 207a_100020643023_100000188321 [0,2,0,0,0,0|2,0,0]=4 14208 B12R1.28 CCCNCc1cccc(c1)O 2230a_100000743036_100000210303 [0,2,0,0,0,0|2,0,0]=4 14209 B12R1.28 CCCNCc1cccc(c1)O 270004a_100020643023_100000188321 [0,2,0,0,0,0|2,0,0]=4 14210 B12R1.28 CCCNCc1cccc(c1)O 271570a_203496583355_100015184641 [0,2,0,0,0,0|2,0,0]=4 14211 B12R1.28 CCCNCc1cccc(c1)O 34a_100000743036_100000210303 [0,2,0,0,0,0|2,0,0]=4 14212 B12R1.28 CCCOCc1cc(ccn1)Br 34a_100000210258_100010173614 [0,2,0,0,0,0|2,0,0]=4 14213 B12R1.28 CCCOCc1cc(ccn1)C 34a_100000210258_100000718516 [0,2,0,0,0,0|2,0,0]=4 14214 B12R1.28 CCCOCc1cc(ccn1)C 34a_100011998357_100000210303 [0,2,0,0,0,0|2,0,0]=4 14215 B12R1.28 CCCOCc1cc(ccn1)Cl 34a_100000210258_100016988179 [0,2,0,0,0,0|2,0,0]=4 14216 B12R1.28 CCCOCc1cc(ccn1)Cl 34a_100000748867_100000210303 [0,2,0,0,0,0|2,0,0]=4 14217 B12R1.28 CCCOCc1cc(ccn1)N 34a_100000692640_100000210303 [0,2,0,0,0,0|2,0,0]=4 14218 B12R1.28 CCCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000210303 [0,2,0,0,0,0|2,0,0]=4 14219 B12R1.28 CCCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000210303 [0,2,0,0,0,0|2,0,0]=4 14220 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000210258_100000698116 [0,2,0,0,0,0|1,0,0]=3 14221 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000687537_100000210303 [0,2,0,0,0,0|1,0,0]=3 14222 B12R1.28 CCCOCc1cccc(c1)Br 7a_100000687537_100000210303 [0,2,0,0,0,0|1,0,0]=3 14223 B12R1.28 CCCOCc1cccc(c1)C 34a_100000210258_100000211840 [0,2,0,0,0,0|1,0,0]=3 14224 B12R1.28 CCCOCc1cccc(c1)C 34a_100011217746_100000210303 [0,2,0,0,0,0|1,0,0]=3 14225 B12R1.28 CCCOCc1cccc(c1)C 7a_100011217746_100000210303 [0,2,0,0,0,0|1,0,0]=3 14226 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000210258_100000187163 [0,2,0,0,0,0|1,0,0]=3 14227 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000241301_100000210303 [0,2,0,0,0,0|1,0,0]=3 14228 B12R1.28 CCCOCc1cccc(c1)Cl 7a_100000241301_100000210303 [0,2,0,0,0,0|1,0,0]=3 14229 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210258_100000187166 [0,2,0,0,0,0|1,0,0]=3 14230 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210976_100000210303 [0,2,0,0,0,0|1,0,0]=3 14231 B12R1.28 CCCOCc1cccc(c1)F 7a_100000210976_100000210303 [0,2,0,0,0,0|1,0,0]=3 14232 B12R1.28 CCCOCc1cccc(c1)I 34a_100000210258_100011218688 [0,2,0,0,0,0|1,0,0]=3 14233 B12R1.28 CCCOCc1cccc(c1)I 34a_100011215336_100000210303 [0,2,0,0,0,0|1,0,0]=3 14234 B12R1.28 CCCOCc1cccc(c1)I 7a_100011215336_100000210303 [0,2,0,0,0,0|1,0,0]=3 14235 B12R1.28 CCCOCc1cccc(c1)N 34a_100000211919_100000210303 [0,2,0,0,0,0|1,0,0]=3 14236 B12R1.28 CCCOCc1cccc(c1)O 34a_100000210258_100011660834 [0,2,0,0,0,0|1,0,0]=3 14237 B12R1.28 CCCOCc1cccc(n1)Br 34a_100000210258_100009889011 [0,2,0,0,0,0|2,0,0]=4 14238 B12R1.28 CCCOCc1cccc(n1)Br 34a_100000694195_100000210303 [0,2,0,0,0,0|2,0,0]=4 14239 B12R1.28 CCCOCc1cccc(n1)C 34a_100000210258_100000757606 [0,2,0,0,0,0|2,0,0]=4 14240 B12R1.28 CCCOCc1cccc(n1)C 34a_100000690600_100000210303 [0,2,0,0,0,0|2,0,0]=4 14241 B12R1.28 CCCOCc1cccc(n1)Cl 34a_100000210258_100000086093 [0,2,0,0,0,0|2,0,0]=4 14242 B12R1.28 CCCOCc1cccc(n1)Cl 34a_100011998359_100000210303 [0,2,0,0,0,0|2,0,0]=4 14243 B12R1.28 CCCOCc1cccc(n1)F 34a_100000086748_100000210303 [0,2,0,0,0,0|2,0,0]=4 14244 B12R1.28 CCCOCc1cccc(n1)F 34a_100000210258_100009819644 [0,2,0,0,0,0|2,0,0]=4 14245 B12R1.28 CCCOCc1ccnc(c1)Br 34a_100000210258_100010243470 [0,2,0,0,0,0|2,0,0]=4 14246 B12R1.28 CCCOCc1ccnc(c1)Br 34a_100009814636_100000210303 [0,2,0,0,0,0|2,0,0]=4 14247 B12R1.28 CCCOCc1ccnc(c1)Br 7a_100009814636_100000210303 [0,2,0,0,0,0|2,0,0]=4 14248 B12R1.28 CCCOCc1ccnc(c1)C 34a_100000210258_200020672517 [0,2,0,0,0,0|2,0,0]=4 14249 B12R1.28 CCCOCc1ccnc(c1)C 34a_100011998630_100000210303 [0,2,0,0,0,0|2,0,0]=4 14250 B12R1.28 CCCOCc1ccnc(c1)Cl 34a_100000210258_100000764220 [0,2,0,0,0,0|2,0,0]=4 14251 B12R1.28 CCCOCc1ccnc(c1)Cl 34a_100000748751_100000210303 [0,2,0,0,0,0|2,0,0]=4 14252 B12R1.28 CCCOCc1ccnc(c1)F 34a_100000082451_100000210303 [0,2,0,0,0,0|2,0,0]=4 14253 B12R1.28 CCCOCc1cncc(c1)Br 34a_100000210258_100000738771 [0,2,0,0,0,0|2,0,0]=4 14254 B12R1.28 CCCOCc1cncc(c1)Br 34a_100011259137_100000210303 [0,2,0,0,0,0|2,0,0]=4 14255 B12R1.28 CCCOCc1cncc(c1)Br 7a_100011259137_100000210303 [0,2,0,0,0,0|2,0,0]=4 14256 B12R1.28 CCCOCc1cncc(c1)C 34a_100000210258_100000716715 [0,2,0,0,0,0|2,0,0]=4 14257 B12R1.28 CCCOCc1cncc(c1)C 34a_100011998709_100000210303 [0,2,0,0,0,0|2,0,0]=4 14258 B12R1.28 CCCOCc1cncc(c1)C 7a_100011998709_100000210303 [0,2,0,0,0,0|2,0,0]=4 14259 B12R1.28 CCCOCc1cncc(c1)Cl 34a_100000092867_100000210303 [0,2,0,0,0,0|2,0,0]=4 14260 B12R1.28 CCCOCc1cncc(c1)Cl 34a_100000210258_100016992070 [0,2,0,0,0,0|2,0,0]=4 14261 B12R1.28 CCCOCc1cncc(c1)Cl 7a_100000092867_100000210303 [0,2,0,0,0,0|2,0,0]=4 14262 B12R1.28 CCCOCc1cncc(c1)F 34a_100000210258_100000725299 [0,2,0,0,0,0|2,0,0]=4 14263 B12R1.28 CCCOCc1cncc(c1)F 34a_100011962875_100000210303 [0,2,0,0,0,0|2,0,0]=4 14264 B12R1.28 CCCOCc1cncc(c1)F 7a_100011962875_100000210303 [0,2,0,0,0,0|2,0,0]=4 14265 B12R1.28 CCCOCc1cncc(c1)N 34a_100000085308_100000210303 [0,2,0,0,0,0|2,0,0]=4 14266 B12R1.28 CCCSCc1cccc(c1)Br 62a_100000210303_100000211773 [0,2,0,0,0,0|1,1,0]=4 14267 B12R1.28 CCCSCc1cccc(c1)Br 62a_100000211773_100000210303 [0,2,0,0,0,0|1,1,0]=4 14268 B12R1.28 CCCSCc1cccc(c1)C 62a_100000210303_100000211840 [0,2,0,0,0,0|1,1,0]=4 14269 B12R1.28 CCCSCc1cccc(c1)C 62a_100000211840_100000210303 [0,2,0,0,0,0|1,1,0]=4 14270 B12R1.28 CCCSCc1cccc(c1)Cl 62a_100000187163_100000210303 [0,2,0,0,0,0|1,1,0]=4 14271 B12R1.28 CCCSCc1cccc(c1)Cl 62a_100000210303_100000187163 [0,2,0,0,0,0|1,1,0]=4 14272 B12R1.28 CCCSCc1cccc(c1)F 62a_100000210303_100000230114 [0,2,0,0,0,0|1,1,0]=4 14273 B12R1.28 CCCSCc1cccc(c1)F 62a_100000230114_100000210303 [0,2,0,0,0,0|1,1,0]=4 14274 B12R1.28 CCCSCc1cccc(c1)I 62a_100000210303_100011218688 [0,2,0,0,0,0|1,1,0]=4 14275 B12R1.28 CCCSCc1cccc(c1)I 62a_100011218688_100000210303 [0,2,0,0,0,0|1,1,0]=4 14276 B12R1.28 CCCSCc1cccc(c1)O 62a_100000210303_100011660834 [0,2,0,0,0,0|1,1,0]=4 14277 B12R1.28 CCCSCc1cccc(c1)O 62a_100011660834_100000210303 [0,2,0,0,0,0|1,1,0]=4 14278 B12R1.28 CCNCCc1cccc(c1)Br 2230a_100011207229_100000210202 [0,2,0,0,0,0|2,0,0]=4 14279 B12R1.28 CCNCCc1cccc(c1)Br 2230a_100015525214_100011740638 [0,2,0,0,0,0|2,0,0]=4 14280 B12R1.28 CCNCCc1cccc(c1)Br 34a_100011207229_100000210202 [0,2,0,0,0,0|2,0,0]=4 14281 B12R1.28 CCNCCc1cccc(c1)C 2230a_100000749837_100000210202 [0,2,0,0,0,0|2,0,0]=4 14282 B12R1.28 CCNCCc1cccc(c1)C 2230a_100015525214_100011713685 [0,2,0,0,0,0|2,0,0]=4 14283 B12R1.28 CCNCCc1cccc(c1)C 34a_100000749837_100000210202 [0,2,0,0,0,0|2,0,0]=4 14284 B12R1.28 CCNCCc1cccc(c1)Cl 2230a_100000185263_100000210202 [0,2,0,0,0,0|2,0,0]=4 14285 B12R1.28 CCNCCc1cccc(c1)Cl 2230a_100015525214_100011713710 [0,2,0,0,0,0|2,0,0]=4 14286 B12R1.28 CCNCCc1cccc(c1)Cl 34a_100000185263_100000210202 [0,2,0,0,0,0|2,0,0]=4 14287 B12R1.28 CCNCCc1cccc(c1)F 2230a_100000205154_100000210202 [0,2,0,0,0,0|2,0,0]=4 14288 B12R1.28 CCNCCc1cccc(c1)F 2230a_100015525214_100011217235 [0,2,0,0,0,0|2,0,0]=4 14289 B12R1.28 CCNCCc1cccc(c1)F 34a_100000205154_100000210202 [0,2,0,0,0,0|2,0,0]=4 14290 B12R1.28 CCNCCc1cccc(c1)O 2230a_100000747277_100000210202 [0,2,0,0,0,0|2,0,0]=4 14291 B12R1.28 CCNCCc1cccc(c1)O 34a_100000747277_100000210202 [0,2,0,0,0,0|2,0,0]=4 14292 B12R1.28 CCOCCc1cccc(c1)Br 34a_100011217444_100000210202 [0,2,0,0,0,0|2,0,0]=4 14293 B12R1.28 CCOCCc1cccc(c1)Br 34a_100121572206_100011740638 [0,2,0,0,0,0|2,0,0]=4 14294 B12R1.28 CCOCCc1cccc(c1)Br 7a_100011217444_100000210202 [0,2,0,0,0,0|2,0,0]=4 14295 B12R1.28 CCOCCc1cccc(c1)C 34a_100011217157_100000210202 [0,2,0,0,0,0|2,0,0]=4 14296 B12R1.28 CCOCCc1cccc(c1)C 34a_100121572206_100011713685 [0,2,0,0,0,0|2,0,0]=4 14297 B12R1.28 CCOCCc1cccc(c1)C 7a_100011217157_100000210202 [0,2,0,0,0,0|2,0,0]=4 14298 B12R1.28 CCOCCc1cccc(c1)Cl 34a_100000754733_100000210202 [0,2,0,0,0,0|2,0,0]=4 14299 B12R1.28 CCOCCc1cccc(c1)Cl 34a_100121572206_100011713710 [0,2,0,0,0,0|2,0,0]=4 14300 B12R1.28 CCOCCc1cccc(c1)Cl 7a_100000754733_100000210202 [0,2,0,0,0,0|2,0,0]=4 14301 B12R1.28 CCOCCc1cccc(c1)F 34a_100000763591_100000210202 [0,2,0,0,0,0|2,0,0]=4 14302 B12R1.28 CCOCCc1cccc(c1)F 34a_100121572206_100011217235 [0,2,0,0,0,0|2,0,0]=4 14303 B12R1.28 CCOCCc1cccc(c1)F 7a_100000763591_100000210202 [0,2,0,0,0,0|2,0,0]=4 14304 B12R1.28 CCOCCc1cccc(c1)N 34a_100011996697_100000210202 [0,2,0,0,0,0|2,0,0]=4 14305 B12R1.28 CCOCSc1cccc(c1)Br 62a_100000691529_100000739092 [0,2,0,0,0,0|1,1,0]=4 14306 B12R1.28 CCOCSc1cccc(c1)Br 62a_100000739092_100000691529 [0,2,0,0,0,0|1,1,0]=4 14307 B12R1.28 CCOCSc1cccc(c1)C 62a_100000739092_100011215228 [0,2,0,0,0,0|1,1,0]=4 14308 B12R1.28 CCOCSc1cccc(c1)C 62a_100011215228_100000739092 [0,2,0,0,0,0|1,1,0]=4 14309 B12R1.28 CCOCSc1cccc(c1)Cl 62a_100000699651_100000739092 [0,2,0,0,0,0|1,1,0]=4 14310 B12R1.28 CCOCSc1cccc(c1)Cl 62a_100000739092_100000699651 [0,2,0,0,0,0|1,1,0]=4 14311 B12R1.28 CCOCSc1cccc(c1)F 62a_100000685547_100000739092 [0,2,0,0,0,0|1,1,0]=4 14312 B12R1.28 CCOCSc1cccc(c1)F 62a_100000739092_100000685547 [0,2,0,0,0,0|1,1,0]=4 14313 B12R1.28 CCOCSc1cccc(c1)N 62a_100000210019_100000739092 [0,2,0,0,0,0|1,1,0]=4 14314 B12R1.28 CCOCSc1cccc(c1)N 62a_100000739092_100000210019 [0,2,0,0,0,0|1,1,0]=4 14315 B12R1.28 CCOCSc1cccc(c1)O 62a_100000739092_100000211634 [0,2,0,0,0,0|1,1,0]=4 14316 B12R1.28 CCOCSc1cccc(c1)[S] 62a_100000739092_114929384022 [0,2,0,0,0,0|1,1,0]=4 14317 B12R1.28 CCOCSc1cccc(c1)[S] 62a_114929384022_100000739092 [0,2,0,0,0,0|1,1,0]=4 14318 B12R1.28 CCSCCc1cccc(c1)Br 62a_100000210202_100011740638 [0,2,0,0,0,0|2,0,0]=4 14319 B12R1.28 CCSCCc1cccc(c1)Br 62a_100011740638_100000210202 [0,2,0,0,0,0|2,0,0]=4 14320 B12R1.28 CCSCCc1cccc(c1)C 62a_100000210202_100011713685 [0,2,0,0,0,0|2,0,0]=4 14321 B12R1.28 CCSCCc1cccc(c1)C 62a_100011713685_100000210202 [0,2,0,0,0,0|2,0,0]=4 14322 B12R1.28 CCSCCc1cccc(c1)Cl 62a_100000210202_100011713710 [0,2,0,0,0,0|2,0,0]=4 14323 B12R1.28 CCSCCc1cccc(c1)Cl 62a_100011713710_100000210202 [0,2,0,0,0,0|2,0,0]=4 14324 B12R1.28 CCSCCc1cccc(c1)F 62a_100000210202_100011217235 [0,2,0,0,0,0|2,0,0]=4 14325 B12R1.28 CCSCCc1cccc(c1)F 62a_100011217235_100000210202 [0,2,0,0,0,0|2,0,0]=4 14326 B12R1.28 CNCCCc1cccc(c1)Br 2230a_100000753791_200000210301 [0,2,0,0,0,0|2,0,0]=4 14327 B12R1.28 CNCCCc1cccc(c1)Br 2230a_106832991635_100011713683 [0,2,0,0,0,0|2,0,0]=4 14328 B12R1.28 CNCCCc1cccc(c1)Br 34a_100000753791_200000210301 [0,2,0,0,0,0|2,0,0]=4 14329 B12R1.28 CNCCCc1cccc(c1)Br 34a_100102657272_100011713683 [0,2,0,0,0,0|2,0,0]=4 14330 B12R1.28 CNCCCc1cccc(c1)Br 7a_106832991635_100011713683 [0,2,0,0,0,0|2,0,0]=4 14331 B12R1.28 CNCCCc1cccc(c1)C 2230a_103496528808_200000210301 [0,2,0,0,0,0|2,0,0]=4 14332 B12R1.28 CNCCCc1cccc(c1)C 34a_103496528808_200000210301 [0,2,0,0,0,0|2,0,0]=4 14333 B12R1.28 CNCCCc1cccc(c1)Cl 2230a_100000704586_200000210301 [0,2,0,0,0,0|2,0,0]=4 14334 B12R1.28 CNCCCc1cccc(c1)Cl 34a_100000704586_200000210301 [0,2,0,0,0,0|2,0,0]=4 14335 B12R1.28 CNCCCc1cccc(c1)F 2230a_100000754185_200000210301 [0,2,0,0,0,0|2,0,0]=4 14336 B12R1.28 CNCCCc1cccc(c1)F 2230a_106832991635_200000698031 [0,2,0,0,0,0|2,0,0]=4 14337 B12R1.28 CNCCCc1cccc(c1)F 34a_100000754185_200000210301 [0,2,0,0,0,0|2,0,0]=4 14338 B12R1.28 CNCCCc1cccc(c1)F 34a_100102657272_200000698031 [0,2,0,0,0,0|2,0,0]=4 14339 B12R1.28 CNCCCc1cccc(c1)F 7a_106832991635_200000698031 [0,2,0,0,0,0|2,0,0]=4 14340 B12R1.28 CNCCOc1cccc(c1)Br 2230a_100000743521_200000210301 [0,2,0,0,0,0|1,0,0]=3 14341 B12R1.28 CNCCOc1cccc(c1)Br 2230a_106832991635_100000183150 [0,2,0,0,0,0|1,0,0]=3 14342 B12R1.28 CNCCOc1cccc(c1)Br 34a_100000743521_200000210301 [0,2,0,0,0,0|1,0,0]=3 14343 B12R1.28 CNCCOc1cccc(c1)Br 34a_100102657272_100000183150 [0,2,0,0,0,0|1,0,0]=3 14344 B12R1.28 CNCCOc1cccc(c1)Br 7a_106832991635_100000183150 [0,2,0,0,0,0|1,0,0]=3 14345 B12R1.28 CNCCOc1cccc(c1)C 2230a_100015185188_200000210301 [0,2,0,0,0,0|1,0,0]=3 14346 B12R1.28 CNCCOc1cccc(c1)C 34a_100015185188_200000210301 [0,2,0,0,0,0|1,0,0]=3 14347 B12R1.28 CNCCOc1cccc(c1)Cl 2230a_100000740232_200000210301 [0,2,0,0,0,0|1,0,0]=3 14348 B12R1.28 CNCCOc1cccc(c1)Cl 2230a_106832991635_100000181161 [0,2,0,0,0,0|1,0,0]=3 14349 B12R1.28 CNCCOc1cccc(c1)Cl 34a_100000740232_200000210301 [0,2,0,0,0,0|1,0,0]=3 14350 B12R1.28 CNCCOc1cccc(c1)Cl 34a_100102657272_100000181161 [0,2,0,0,0,0|1,0,0]=3 14351 B12R1.28 CNCCOc1cccc(c1)Cl 7a_106832991635_100000181161 [0,2,0,0,0,0|1,0,0]=3 14352 B12R1.28 CNCCOc1cccc(c1)F 2230a_100000738948_200000210301 [0,2,0,0,0,0|1,0,0]=3 14353 B12R1.28 CNCCOc1cccc(c1)F 2230a_106832991635_100000739188 [0,2,0,0,0,0|1,0,0]=3 14354 B12R1.28 CNCCOc1cccc(c1)F 34a_100000738948_200000210301 [0,2,0,0,0,0|1,0,0]=3 14355 B12R1.28 CNCCOc1cccc(c1)F 34a_100102657272_100000739188 [0,2,0,0,0,0|1,0,0]=3 14356 B12R1.28 CNCCOc1cccc(c1)F 7a_106832991635_100000739188 [0,2,0,0,0,0|1,0,0]=3 14357 B12R1.28 CNCCOc1cccc(c1)O 271570a_203496583355_200000225663 [0,2,0,0,0,0|1,0,0]=3 14358 B12R1.28 COCC#Cc1cccc(c1)Br 34a_100009814051_200000210301 [0,2,0,0,0,0|1,0,1]=4 14359 B12R1.28 COCC#Cc1cccc(c1)Br 34a_100138415774_100010706776 [0,2,0,0,0,0|1,0,1]=4 14360 B12R1.28 COCC#Cc1cccc(c1)Br 7a_100009814051_200000210301 [0,2,0,0,0,0|1,0,1]=4 14361 B12R1.28 COCC#Cc1cccc(c1)Cl 34a_100011218842_200000210301 [0,2,0,0,0,0|1,0,1]=4 14362 B12R1.28 COCC#Cc1cccc(c1)Cl 7a_100011218842_200000210301 [0,2,0,0,0,0|1,0,1]=4 14363 B12R1.28 COCC#Cc1cccc(c1)F 34a_100011219115_200000210301 [0,2,0,0,0,0|1,0,1]=4 14364 B12R1.28 COCC#Cc1cccc(c1)F 34a_100138415774_100010402994 [0,2,0,0,0,0|1,0,1]=4 14365 B12R1.28 COCC#Cc1cccc(c1)F 7a_100011219115_200000210301 [0,2,0,0,0,0|1,0,1]=4 14366 B12R1.28 COCC=Cc1cccc(c1)Br 271570a_100016286323_100000691529 [0,2,0,0,0,0|1,0,1]=4 14367 B12R1.28 COCC=Cc1cccc(c1)C 271570a_100016286323_100011215228 [0,2,0,0,0,0|1,0,1]=4 14368 B12R1.28 COCC=Cc1cccc(c1)Cl 271570a_100016286323_100000699651 [0,2,0,0,0,0|1,0,1]=4 14369 B12R1.28 COCC=Cc1cccc(c1)F 271570a_100016286323_100000685547 [0,2,0,0,0,0|1,0,1]=4 14370 B12R1.28 COCC=Cc1cccc(c1)N 271570a_100016286323_100000210019 [0,2,0,0,0,0|1,0,1]=4 14371 B12R1.28 COCC=Cc1cccc(c1)O 271570a_100016286323_100000211634 [0,2,0,0,0,0|1,0,1]=4 14372 B12R1.28 COCC=Cc1cccc(c1)[S] 271570a_100016286323_114929384022 [0,2,0,0,0,0|1,0,1]=4 14373 B12R1.28 COCCCc1cccc(c1)Br 34a_100011709248_200000210301 [0,2,0,0,0,0|1,0,0]=3 14374 B12R1.28 COCCCc1cccc(c1)Br 34a_100138415774_100011713683 [0,2,0,0,0,0|1,0,0]=3 14375 B12R1.28 COCCCc1cccc(c1)Br 7a_100011709248_200000210301 [0,2,0,0,0,0|1,0,0]=3 14376 B12R1.28 COCCCc1cccc(c1)Cl 34a_100011709246_200000210301 [0,2,0,0,0,0|1,0,0]=3 14377 B12R1.28 COCCCc1cccc(c1)Cl 7a_100011709246_200000210301 [0,2,0,0,0,0|1,0,0]=3 14378 B12R1.28 COCCCc1cccc(c1)F 34a_100138415774_200000698031 [0,2,0,0,0,0|1,0,0]=3 14379 B12R1.28 COCCCc1cccc(c1)N 34a_200000698965_200000210301 [0,2,0,0,0,0|1,0,0]=3 14380 B12R1.28 COCCCc1cccc(c1)N 7a_200000698965_200000210301 [0,2,0,0,0,0|1,0,0]=3 14381 B12R1.28 COCCCc1cccc(n1)C 34a_100000211354_200000210301 [0,2,0,0,0,0|2,0,0]=4 14382 B12R1.28 COCCNc1cc(ccn1)F 27a_100000209980_100000764206 [0,2,0,0,0,0|2,0,0]=4 14383 B12R1.28 COCCNc1cc[nH]c(=O)c1 27a_100000209980_100000061649 [0,2,0,0,0,0|2,0,0]=4 14384 B12R1.28 COCCNc1cccc(c1)Br 34a_100000210019_100011201679 [0,2,0,0,0,0|1,0,0]=3 14385 B12R1.28 COCCNc1cccc(c1)C 2230a_100000188690_100011201679 [0,2,0,0,0,0|1,0,0]=3 14386 B12R1.28 COCCNc1cccc(c1)C 34a_100000188690_100011201679 [0,2,0,0,0,0|1,0,0]=3 14387 B12R1.28 COCCNc1cccc(c1)Cl 34a_100000185859_100011201679 [0,2,0,0,0,0|1,0,0]=3 14388 B12R1.28 COCCNc1cccc(c1)F 34a_100000210047_100011201679 [0,2,0,0,0,0|1,0,0]=3 14389 B12R1.28 COCCNc1cccc(c1)I 34a_100000211102_100011201679 [0,2,0,0,0,0|1,0,0]=3 14390 B12R1.28 COCCNc1cccc(c1)O 34a_100000210217_100011201679 [0,2,0,0,0,0|1,0,0]=3 14391 B12R1.28 COCCNc1cccc(n1)F 27a_100000209980_100009815982 [0,2,0,0,0,0|2,0,0]=4 14392 B12R1.28 COCCNc1cccc(n1)F 34a_200011432718_200000210301 [0,2,0,0,0,0|2,0,0]=4 14393 B12R1.28 COCCNc1ccnc(c1)C 27a_100000209980_100000758586 [0,2,0,0,0,0|2,0,0]=4 14394 B12R1.28 COCCNc1ccnc(c1)F 27a_100000209980_100009816116 [0,2,0,0,0,0|2,0,0]=4 14395 B12R1.28 COCCOc1cc(ccn1)O 271570a_203496583355_200010734593 [0,2,0,0,0,0|1,0,0]=3 14396 B12R1.28 COCCOc1cc(cnn1)C 34a_100000766097_100011201679 [0,2,0,0,0,0|2,0,0]=4 14397 B12R1.28 COCCOc1cc[nH]c(=O)c1 34a_100000032262_100011201679 [0,2,0,0,0,0|1,0,0]=3 14398 B12R1.28 COCCOc1ccc[n+](c1)[O-] 34a_100000039713_100011201679 [0,2,0,0,0,0|1,0,0]=3 14399 B12R1.28 COCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000233755 [0,2,0,0,0,0|1,0,0]=3 14400 B12R1.28 COCCOc1cccc(=O)[nH]1 34a_100000033347_100011201679 [0,2,0,0,0,0|1,0,0]=3 14401 B12R1.28 COCCOc1cccc(c1)Br 34a_100000210342_100011201679 [0,2,0,0,0,0|0,0,0]=2 14402 B12R1.28 COCCOc1cccc(c1)Br 34a_100000757546_200000210301 [0,2,0,0,0,0|0,0,0]=2 14403 B12R1.28 COCCOc1cccc(c1)Br 34a_100138415774_100000183150 [0,2,0,0,0,0|0,0,0]=2 14404 B12R1.28 COCCOc1cccc(c1)Br 7a_100000210342_100000233755 [0,2,0,0,0,0|0,0,0]=2 14405 B12R1.28 COCCOc1cccc(c1)Br 7a_100000757546_200000210301 [0,2,0,0,0,0|0,0,0]=2 14406 B12R1.28 COCCOc1cccc(c1)C 34a_100000210337_100011201679 [0,2,0,0,0,0|0,0,0]=2 14407 B12R1.28 COCCOc1cccc(c1)C 34a_200011215094_200000210301 [0,2,0,0,0,0|0,0,0]=2 14408 B12R1.28 COCCOc1cccc(c1)C 7a_100000210337_100000233755 [0,2,0,0,0,0|0,0,0]=2 14409 B12R1.28 COCCOc1cccc(c1)C 7a_200011215094_200000210301 [0,2,0,0,0,0|0,0,0]=2 14410 B12R1.28 COCCOc1cccc(c1)Cl 34a_100000210295_100011201679 [0,2,0,0,0,0|0,0,0]=2 14411 B12R1.28 COCCOc1cccc(c1)Cl 34a_100000230539_200000210301 [0,2,0,0,0,0|0,0,0]=2 14412 B12R1.28 COCCOc1cccc(c1)Cl 34a_100138415774_100000181161 [0,2,0,0,0,0|0,0,0]=2 14413 B12R1.28 COCCOc1cccc(c1)Cl 7a_100000210295_100000233755 [0,2,0,0,0,0|0,0,0]=2 14414 B12R1.28 COCCOc1cccc(c1)Cl 7a_100000230539_200000210301 [0,2,0,0,0,0|0,0,0]=2 14415 B12R1.28 COCCOc1cccc(c1)F 34a_100000210426_100011201679 [0,2,0,0,0,0|0,0,0]=2 14416 B12R1.28 COCCOc1cccc(c1)F 34a_100138415774_100000739188 [0,2,0,0,0,0|0,0,0]=2 14417 B12R1.28 COCCOc1cccc(c1)F 7a_100000210426_100000233755 [0,2,0,0,0,0|0,0,0]=2 14418 B12R1.28 COCCOc1cccc(c1)I 34a_100000211634_100011201679 [0,2,0,0,0,0|0,0,0]=2 14419 B12R1.28 COCCOc1cccc(c1)I 7a_100000211634_100000233755 [0,2,0,0,0,0|0,0,0]=2 14420 B12R1.28 COCCOc1cccc(c1)N 34a_100000210217_100011201679 [0,2,0,0,0,0|0,0,0]=2 14421 B12R1.28 COCCOc1cccc(c1)N 34a_100011232151_200000210301 [0,2,0,0,0,0|0,0,0]=2 14422 B12R1.28 COCCOc1cccc(c1)O 271570a_203496583355_100000742273 [0,2,0,0,0,0|0,0,0]=2 14423 B12R1.28 COCCOc1cccc(n1)F 34a_100011432558_100011201679 [0,2,0,0,0,0|1,0,0]=3 14424 B12R1.28 COCCOc1ccnc(c1)C 34a_100000688365_100011201679 [0,2,0,0,0,0|1,0,0]=3 14425 B12R1.28 COCCOc1ccnc(c1)Cl 34a_100000762945_100011201679 [0,2,0,0,0,0|1,0,0]=3 14426 B12R1.28 COCCOc1ccnc(c1)F 34a_100000732698_100011201679 [0,2,0,0,0,0|1,0,0]=3 14427 B12R1.28 COCCOc1ccnc(c1)N 34a_100011834064_100011201679 [0,2,0,0,0,0|1,0,0]=3 14428 B12R1.28 COCCOc1cncc(c1)Br 34a_100000754920_100011201679 [0,2,0,0,0,0|1,0,0]=3 14429 B12R1.28 COCCOc1cncc(c1)Br 7a_100000754920_100000233755 [0,2,0,0,0,0|1,0,0]=3 14430 B12R1.28 COCCOc1cncc(c1)C 34a_100011830280_100011201679 [0,2,0,0,0,0|1,0,0]=3 14431 B12R1.28 COCCOc1cncc(c1)C 7a_100011830280_100000233755 [0,2,0,0,0,0|1,0,0]=3 14432 B12R1.28 COCCOc1cncc(c1)Cl 7a_100000032511_100000233755 [0,2,0,0,0,0|1,0,0]=3 14433 B12R1.28 COCCOc1cncc(c1)F 34a_100011830296_100011201679 [0,2,0,0,0,0|1,0,0]=3 14434 B12R1.28 COCCOc1cncc(c1)F 7a_100011830296_100000233755 [0,2,0,0,0,0|1,0,0]=3 14435 B12R1.28 COCCOc1cncc(c1)N 34a_100011997051_100011201679 [0,2,0,0,0,0|1,0,0]=3 14436 B12R1.28 COCCOc1cnnc(c1)Cl 34a_200010734679_100011201679 [0,2,0,0,0,0|2,0,0]=4 14437 B12R1.28 COCCOc1cnnc(c1)N 34a_200015193112_100011201679 [0,2,0,0,0,0|2,0,0]=4 14438 B12R1.28 COCCSc1cc(=O)cc[nH]1 62a_100009817434_100000233755 [0,2,0,0,0,0|1,1,0]=4 14439 B12R1.28 COCCSc1cc(ccn1)C 62a_100000233755_100000750283 [0,2,0,0,0,0|1,1,0]=4 14440 B12R1.28 COCCSc1cc(ccn1)C 62a_100000750283_100000233755 [0,2,0,0,0,0|1,1,0]=4 14441 B12R1.28 COCCSc1cc(ccn1)Cl 62a_100000233755_100010167805 [0,2,0,0,0,0|1,1,0]=4 14442 B12R1.28 COCCSc1cc(ccn1)Cl 62a_100010167805_100000233755 [0,2,0,0,0,0|1,1,0]=4 14443 B12R1.28 COCCSc1cc(ccn1)F 62a_100000233755_100000764206 [0,2,0,0,0,0|1,1,0]=4 14444 B12R1.28 COCCSc1cc(ccn1)F 62a_100000764206_100000233755 [0,2,0,0,0,0|1,1,0]=4 14445 B12R1.28 COCCSc1cc(ccn1)N 62a_100000233755_100009814236 [0,2,0,0,0,0|1,1,0]=4 14446 B12R1.28 COCCSc1cc(ccn1)N 62a_100009814236_100000233755 [0,2,0,0,0,0|1,1,0]=4 14447 B12R1.28 COCCSc1cc(ccn1)O 62a_100000233755_100000762945 [0,2,0,0,0,0|1,1,0]=4 14448 B12R1.28 COCCSc1cc[nH]c(=O)c1 62a_100000233755_100009816521 [0,2,0,0,0,0|1,1,0]=4 14449 B12R1.28 COCCSc1cc[nH]c(=O)c1 62a_100009816521_100000233755 [0,2,0,0,0,0|1,1,0]=4 14450 B12R1.28 COCCSc1ccc[n+](c1)C 62a_100000233755_100009996589 [0,2,0,0,0,0|1,1,0]=4 14451 B12R1.28 COCCSc1ccc[n+](c1)C 62a_100009996589_100000233755 [0,2,0,0,0,0|1,1,0]=4 14452 B12R1.28 COCCSc1ccc[n+](c1)[O-] 62a_100000233755_100009815978 [0,2,0,0,0,0|1,1,0]=4 14453 B12R1.28 COCCSc1cccc(=O)[nH]1 62a_100000233755_100000752884 [0,2,0,0,0,0|1,1,0]=4 14454 B12R1.28 COCCSc1cccc(c1)Br 62a_100000233755_100000691529 [0,2,0,0,0,0|0,1,0]=3 14455 B12R1.28 COCCSc1cccc(c1)Br 62a_100000691529_100000233755 [0,2,0,0,0,0|0,1,0]=3 14456 B12R1.28 COCCSc1cccc(c1)Br 7a_200011756134_200000210301 [0,2,0,0,0,0|0,1,0]=3 14457 B12R1.28 COCCSc1cccc(c1)C 34a_200011432187_200000210301 [0,2,0,0,0,0|0,1,0]=3 14458 B12R1.28 COCCSc1cccc(c1)C 62a_100000233755_100011215228 [0,2,0,0,0,0|0,1,0]=3 14459 B12R1.28 COCCSc1cccc(c1)C 62a_100011215228_100000233755 [0,2,0,0,0,0|0,1,0]=3 14460 B12R1.28 COCCSc1cccc(c1)C 7a_200011432187_200000210301 [0,2,0,0,0,0|0,1,0]=3 14461 B12R1.28 COCCSc1cccc(c1)Cl 34a_200011721761_200000210301 [0,2,0,0,0,0|0,1,0]=3 14462 B12R1.28 COCCSc1cccc(c1)Cl 62a_100000233755_100000699651 [0,2,0,0,0,0|0,1,0]=3 14463 B12R1.28 COCCSc1cccc(c1)Cl 62a_100000699651_100000233755 [0,2,0,0,0,0|0,1,0]=3 14464 B12R1.28 COCCSc1cccc(c1)Cl 7a_200011721761_200000210301 [0,2,0,0,0,0|0,1,0]=3 14465 B12R1.28 COCCSc1cccc(c1)F 34a_200011996949_200000210301 [0,2,0,0,0,0|0,1,0]=3 14466 B12R1.28 COCCSc1cccc(c1)F 62a_100000233755_100000685547 [0,2,0,0,0,0|0,1,0]=3 14467 B12R1.28 COCCSc1cccc(c1)F 62a_100000685547_100000233755 [0,2,0,0,0,0|0,1,0]=3 14468 B12R1.28 COCCSc1cccc(c1)F 7a_200011996949_200000210301 [0,2,0,0,0,0|0,1,0]=3 14469 B12R1.28 COCCSc1cccc(c1)N 62a_100000210019_100000233755 [0,2,0,0,0,0|0,1,0]=3 14470 B12R1.28 COCCSc1cccc(c1)N 62a_100000233755_100000210019 [0,2,0,0,0,0|0,1,0]=3 14471 B12R1.28 COCCSc1cccc(c1)O 271570a_203496583355_200009815756 [0,2,0,0,0,0|0,1,0]=3 14472 B12R1.28 COCCSc1cccc(c1)O 62a_100000233755_100000211634 [0,2,0,0,0,0|0,1,0]=3 14473 B12R1.28 COCCSc1cccc(c1)[S] 62a_100000233755_114929384022 [0,2,0,0,0,0|0,1,0]=3 14474 B12R1.28 COCCSc1cccc(c1)[S] 62a_114929384022_100000233755 [0,2,0,0,0,0|0,1,0]=3 14475 B12R1.28 COCCSc1cccc(n1)Br 62a_100000233755_100000684672 [0,2,0,0,0,0|1,1,0]=4 14476 B12R1.28 COCCSc1cccc(n1)Br 62a_100000684672_100000233755 [0,2,0,0,0,0|1,1,0]=4 14477 B12R1.28 COCCSc1cccc(n1)C 62a_100000233755_100000742759 [0,2,0,0,0,0|1,1,0]=4 14478 B12R1.28 COCCSc1cccc(n1)C 62a_100000742759_100000233755 [0,2,0,0,0,0|1,1,0]=4 14479 B12R1.28 COCCSc1cccc(n1)Cl 62a_100000051397_100000233755 [0,2,0,0,0,0|1,1,0]=4 14480 B12R1.28 COCCSc1cccc(n1)Cl 62a_100000233755_100000051397 [0,2,0,0,0,0|1,1,0]=4 14481 B12R1.28 COCCSc1cccc(n1)F 62a_100000233755_100009815982 [0,2,0,0,0,0|1,1,0]=4 14482 B12R1.28 COCCSc1cccc(n1)F 62a_100009815982_100000233755 [0,2,0,0,0,0|1,1,0]=4 14483 B12R1.28 COCCSc1cccc(n1)N 62a_100000233755_100000740741 [0,2,0,0,0,0|1,1,0]=4 14484 B12R1.28 COCCSc1cccc(n1)N 62a_100000740741_100000233755 [0,2,0,0,0,0|1,1,0]=4 14485 B12R1.28 COCCSc1ccnc(c1)Br 62a_100000233755_100009814637 [0,2,0,0,0,0|1,1,0]=4 14486 B12R1.28 COCCSc1ccnc(c1)Br 62a_100009814637_100000233755 [0,2,0,0,0,0|1,1,0]=4 14487 B12R1.28 COCCSc1ccnc(c1)C 62a_100000233755_100000758586 [0,2,0,0,0,0|1,1,0]=4 14488 B12R1.28 COCCSc1ccnc(c1)C 62a_100000758586_100000233755 [0,2,0,0,0,0|1,1,0]=4 14489 B12R1.28 COCCSc1ccnc(c1)Cl 62a_100000035001_100000233755 [0,2,0,0,0,0|1,1,0]=4 14490 B12R1.28 COCCSc1ccnc(c1)Cl 62a_100000233755_100000035001 [0,2,0,0,0,0|1,1,0]=4 14491 B12R1.28 COCCSc1ccnc(c1)F 62a_100000233755_100009816116 [0,2,0,0,0,0|1,1,0]=4 14492 B12R1.28 COCCSc1ccnc(c1)F 62a_100009816116_100000233755 [0,2,0,0,0,0|1,1,0]=4 14493 B12R1.28 COCCSc1ccnc(c1)N 62a_100000049665_100000233755 [0,2,0,0,0,0|1,1,0]=4 14494 B12R1.28 COCCSc1ccnc(c1)N 62a_100000233755_100000049665 [0,2,0,0,0,0|1,1,0]=4 14495 B12R1.28 COCCSc1cncc(c1)Br 62a_100000233755_100000728054 [0,2,0,0,0,0|1,1,0]=4 14496 B12R1.28 COCCSc1cncc(c1)Br 62a_100000728054_100000233755 [0,2,0,0,0,0|1,1,0]=4 14497 B12R1.28 COCCSc1cncc(c1)C 62a_100000233755_100000760492 [0,2,0,0,0,0|1,1,0]=4 14498 B12R1.28 COCCSc1cncc(c1)C 62a_100000760492_100000233755 [0,2,0,0,0,0|1,1,0]=4 14499 B12R1.28 COCCSc1cncc(c1)Cl 62a_100000049639_100000233755 [0,2,0,0,0,0|1,1,0]=4 14500 B12R1.28 COCCSc1cncc(c1)Cl 62a_100000233755_100000049639 [0,2,0,0,0,0|1,1,0]=4 14501 B12R1.28 COCCSc1cncc(c1)F 62a_100000233755_100000744099 [0,2,0,0,0,0|1,1,0]=4 14502 B12R1.28 COCCSc1cncc(c1)F 62a_100000744099_100000233755 [0,2,0,0,0,0|1,1,0]=4 14503 B12R1.28 COCCSc1cncc(c1)N 62a_100000233755_100000687067 [0,2,0,0,0,0|1,1,0]=4 14504 B12R1.28 COCCSc1cncc(c1)N 62a_100000687067_100000233755 [0,2,0,0,0,0|1,1,0]=4 14505 B12R1.28 COCCSc1cncc(c1)O 62a_100000233755_100000754920 [0,2,0,0,0,0|1,1,0]=4 14506 B12R1.28 COCCSc1cncc(c1)O 62a_100000754920_100000233755 [0,2,0,0,0,0|1,1,0]=4 14507 B12R1.28 COCNCc1cccc(c1)Br 2230a_100000174977_100000766300 [0,2,0,0,0,0|2,0,0]=4 14508 B12R1.28 COCNCc1cccc(c1)C 2230a_100000185548_100000766300 [0,2,0,0,0,0|2,0,0]=4 14509 B12R1.28 COCNCc1cccc(c1)Cl 2230a_100000174878_100000766300 [0,2,0,0,0,0|2,0,0]=4 14510 B12R1.28 COCNCc1cccc(c1)F 2230a_100000174948_100000766300 [0,2,0,0,0,0|2,0,0]=4 14511 B12R1.28 COCNCc1cccc(c1)I 2230a_100000106179_100000766300 [0,2,0,0,0,0|2,0,0]=4 14512 B12R1.28 COCNCc1cccc(c1)O 2230a_100000743036_100000766300 [0,2,0,0,0,0|2,0,0]=4 14513 B12R1.28 COCSCc1cccc(c1)Br 62a_100000211773_100000766300 [0,2,0,0,0,0|2,0,0]=4 14514 B12R1.28 COCSCc1cccc(c1)Br 62a_100000766300_100000211773 [0,2,0,0,0,0|2,0,0]=4 14515 B12R1.28 COCSCc1cccc(c1)C 62a_100000211840_100000766300 [0,2,0,0,0,0|2,0,0]=4 14516 B12R1.28 COCSCc1cccc(c1)C 62a_100000766300_100000211840 [0,2,0,0,0,0|2,0,0]=4 14517 B12R1.28 COCSCc1cccc(c1)Cl 62a_100000187163_100000766300 [0,2,0,0,0,0|2,0,0]=4 14518 B12R1.28 COCSCc1cccc(c1)Cl 62a_100000766300_100000187163 [0,2,0,0,0,0|2,0,0]=4 14519 B12R1.28 COCSCc1cccc(c1)F 62a_100000230114_100000766300 [0,2,0,0,0,0|2,0,0]=4 14520 B12R1.28 COCSCc1cccc(c1)F 62a_100000766300_100000230114 [0,2,0,0,0,0|2,0,0]=4 14521 B12R1.28 COCSCc1cccc(c1)I 62a_100000766300_100011218688 [0,2,0,0,0,0|2,0,0]=4 14522 B12R1.28 COCSCc1cccc(c1)I 62a_100011218688_100000766300 [0,2,0,0,0,0|2,0,0]=4 14523 B12R1.28 COCSCc1cccc(c1)O 62a_100000766300_100011660834 [0,2,0,0,0,0|2,0,0]=4 14524 B12R1.28 COCSCc1cccc(c1)O 62a_100011660834_100000766300 [0,2,0,0,0,0|2,0,0]=4 14525 B12R1.28 CSCCCc1cccc(c1)Br 62a_100011713683_200000210301 [0,2,0,0,0,0|1,1,0]=4 14526 B12R1.28 CSCCCc1cccc(c1)Br 62a_200000210301_100011713683 [0,2,0,0,0,0|1,1,0]=4 14527 B12R1.28 CSCCCc1cccc(c1)F 62a_200000210301_200000698031 [0,2,0,0,0,0|1,1,0]=4 14528 B12R1.28 CSCCCc1cccc(c1)F 62a_200000698031_200000210301 [0,2,0,0,0,0|1,1,0]=4 14529 B12R1.28 CSCCNc1cccc(c1)Br 34a_100000210019_100000212216 [0,2,0,0,0,0|1,1,0]=4 14530 B12R1.28 CSCCNc1cccc(c1)C 2230a_100000188690_100000751147 [0,2,0,0,0,0|1,1,0]=4 14531 B12R1.28 CSCCNc1cccc(c1)C 34a_100000188690_100000212216 [0,2,0,0,0,0|1,1,0]=4 14532 B12R1.28 CSCCNc1cccc(c1)Cl 34a_100000185859_100000212216 [0,2,0,0,0,0|1,1,0]=4 14533 B12R1.28 CSCCNc1cccc(c1)F 34a_100000210047_100000212216 [0,2,0,0,0,0|1,1,0]=4 14534 B12R1.28 CSCCNc1cccc(c1)I 34a_100000211102_100000212216 [0,2,0,0,0,0|1,1,0]=4 14535 B12R1.28 CSCCNc1cccc(c1)O 34a_100000210217_100000212216 [0,2,0,0,0,0|1,1,0]=4 14536 B12R1.28 CSCCOc1cc[nH]c(=O)c1 34a_100000032262_100000212216 [0,2,0,0,0,0|1,1,0]=4 14537 B12R1.28 CSCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000212216 [0,2,0,0,0,0|1,1,0]=4 14538 B12R1.28 CSCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000212216 [0,2,0,0,0,0|1,1,0]=4 14539 B12R1.28 CSCCOc1cccc(=O)[nH]1 34a_100000033347_100000212216 [0,2,0,0,0,0|1,1,0]=4 14540 B12R1.28 CSCCOc1cccc(c1)Br 34a_100000210342_100000212216 [0,2,0,0,0,0|0,1,0]=3 14541 B12R1.28 CSCCOc1cccc(c1)Br 62a_100000183150_200000210301 [0,2,0,0,0,0|0,1,0]=3 14542 B12R1.28 CSCCOc1cccc(c1)Br 62a_200000210301_100000183150 [0,2,0,0,0,0|0,1,0]=3 14543 B12R1.28 CSCCOc1cccc(c1)Br 7a_100000210342_100000212216 [0,2,0,0,0,0|0,1,0]=3 14544 B12R1.28 CSCCOc1cccc(c1)C 34a_100000210337_100000212216 [0,2,0,0,0,0|0,1,0]=3 14545 B12R1.28 CSCCOc1cccc(c1)C 7a_100000210337_100000212216 [0,2,0,0,0,0|0,1,0]=3 14546 B12R1.28 CSCCOc1cccc(c1)Cl 34a_100000210295_100000212216 [0,2,0,0,0,0|0,1,0]=3 14547 B12R1.28 CSCCOc1cccc(c1)Cl 62a_100000181161_200000210301 [0,2,0,0,0,0|0,1,0]=3 14548 B12R1.28 CSCCOc1cccc(c1)Cl 62a_200000210301_100000181161 [0,2,0,0,0,0|0,1,0]=3 14549 B12R1.28 CSCCOc1cccc(c1)Cl 7a_100000210295_100000212216 [0,2,0,0,0,0|0,1,0]=3 14550 B12R1.28 CSCCOc1cccc(c1)F 34a_100000210426_100000212216 [0,2,0,0,0,0|0,1,0]=3 14551 B12R1.28 CSCCOc1cccc(c1)F 62a_100000739188_200000210301 [0,2,0,0,0,0|0,1,0]=3 14552 B12R1.28 CSCCOc1cccc(c1)F 62a_200000210301_100000739188 [0,2,0,0,0,0|0,1,0]=3 14553 B12R1.28 CSCCOc1cccc(c1)F 7a_100000210426_100000212216 [0,2,0,0,0,0|0,1,0]=3 14554 B12R1.28 CSCCOc1cccc(c1)I 34a_100000211634_100000212216 [0,2,0,0,0,0|0,1,0]=3 14555 B12R1.28 CSCCOc1cccc(c1)I 7a_100000211634_100000212216 [0,2,0,0,0,0|0,1,0]=3 14556 B12R1.28 CSCCOc1cccc(c1)N 34a_100000210217_100000212216 [0,2,0,0,0,0|0,1,0]=3 14557 B12R1.28 CSCCOc1cccc(n1)F 34a_100011432558_100000212216 [0,2,0,0,0,0|1,1,0]=4 14558 B12R1.28 CSCCOc1ccnc(c1)C 34a_100000688365_100000212216 [0,2,0,0,0,0|1,1,0]=4 14559 B12R1.28 CSCCOc1ccnc(c1)Cl 34a_100000762945_100000212216 [0,2,0,0,0,0|1,1,0]=4 14560 B12R1.28 CSCCOc1ccnc(c1)F 34a_100000732698_100000212216 [0,2,0,0,0,0|1,1,0]=4 14561 B12R1.28 CSCCOc1ccnc(c1)N 34a_100011834064_100000212216 [0,2,0,0,0,0|1,1,0]=4 14562 B12R1.28 CSCCOc1cncc(c1)Br 34a_100000754920_100000212216 [0,2,0,0,0,0|1,1,0]=4 14563 B12R1.28 CSCCOc1cncc(c1)Br 7a_100000754920_100000212216 [0,2,0,0,0,0|1,1,0]=4 14564 B12R1.28 CSCCOc1cncc(c1)C 34a_100011830280_100000212216 [0,2,0,0,0,0|1,1,0]=4 14565 B12R1.28 CSCCOc1cncc(c1)C 7a_100011830280_100000212216 [0,2,0,0,0,0|1,1,0]=4 14566 B12R1.28 CSCCOc1cncc(c1)Cl 7a_100000032511_100000212216 [0,2,0,0,0,0|1,1,0]=4 14567 B12R1.28 CSCCOc1cncc(c1)F 34a_100011830296_100000212216 [0,2,0,0,0,0|1,1,0]=4 14568 B12R1.28 CSCCOc1cncc(c1)F 7a_100011830296_100000212216 [0,2,0,0,0,0|1,1,0]=4 14569 B12R1.28 CSCCOc1cncc(c1)N 34a_100011997051_100000212216 [0,2,0,0,0,0|1,1,0]=4 14570 B12R1.28 CSCCSc1cccc(c1)Br 62a_100000212216_100000691529 [0,2,0,0,0,0|0,2,0]=4 14571 B12R1.28 CSCCSc1cccc(c1)Br 62a_100000691529_100000751147 [0,2,0,0,0,0|0,2,0]=4 14572 B12R1.28 CSCCSc1cccc(c1)C 62a_100000212216_100011215228 [0,2,0,0,0,0|0,2,0]=4 14573 B12R1.28 CSCCSc1cccc(c1)C 62a_100011215228_100000751147 [0,2,0,0,0,0|0,2,0]=4 14574 B12R1.28 CSCCSc1cccc(c1)Cl 62a_100000212216_100000699651 [0,2,0,0,0,0|0,2,0]=4 14575 B12R1.28 CSCCSc1cccc(c1)Cl 62a_100000699651_100000751147 [0,2,0,0,0,0|0,2,0]=4 14576 B12R1.28 CSCCSc1cccc(c1)F 62a_100000212216_100000685547 [0,2,0,0,0,0|0,2,0]=4 14577 B12R1.28 CSCCSc1cccc(c1)F 62a_100000685547_100000751147 [0,2,0,0,0,0|0,2,0]=4 14578 B12R1.28 CSCCSc1cccc(c1)N 62a_100000210019_100000751147 [0,2,0,0,0,0|0,2,0]=4 14579 B12R1.28 CSCCSc1cccc(c1)N 62a_100000212216_100000210019 [0,2,0,0,0,0|0,2,0]=4 14580 B12R1.28 CSCCSc1cccc(c1)O 62a_100000212216_100000211634 [0,2,0,0,0,0|0,2,0]=4 14581 B12R1.28 CSCCSc1cccc(c1)[S] 62a_100000212216_114929384022 [0,2,0,0,0,0|0,2,0]=4 14582 B12R1.28 CSCCSc1cccc(c1)[S] 62a_114929384022_100000751147 [0,2,0,0,0,0|0,2,0]=4 14583 B12R1.28 CSCOCc1cccc(c1)Br 34a_100000687537_100011218213 [0,2,0,0,0,0|2,0,0]=4 14584 B12R1.28 CSCOCc1cccc(c1)C 34a_100011217746_100011218213 [0,2,0,0,0,0|2,0,0]=4 14585 B12R1.28 CSCOCc1cccc(c1)Cl 34a_100000241301_100011218213 [0,2,0,0,0,0|2,0,0]=4 14586 B12R1.28 CSCOCc1cccc(c1)F 34a_100000210976_100011218213 [0,2,0,0,0,0|2,0,0]=4 14587 B12R1.28 CSCOCc1cccc(c1)I 34a_100011215336_100011218213 [0,2,0,0,0,0|2,0,0]=4 14588 B12R1.28 CSCOCc1cccc(c1)N 34a_100000211919_100011218213 [0,2,0,0,0,0|2,0,0]=4 14589 B12R1.28 C[n+]1cccc(c1)SCCCO 62a_100009996589_100011215043 [0,2,0,0,0,0|1,1,0]=4 14590 B12R1.28 C[n+]1cccc(c1)SCCCO 62a_100011215043_100009996589 [0,2,0,0,0,0|1,1,0]=4 14591 B12R1.28 Cc1cc(ccn1)CNCCO 207a_100000210304_100011361630 [0,2,0,0,0,0|2,0,0]=4 14592 B12R1.28 Cc1cc(ccn1)CNCCO 2230a_100016997473_200020672517 [0,2,0,0,0,0|2,0,0]=4 14593 B12R1.28 Cc1cc(ccn1)CNCCO 270004a_100000210304_100011361630 [0,2,0,0,0,0|2,0,0]=4 14594 B12R1.28 Cc1cc(ccn1)CNCCO 34a_100011934566_100000211926 [0,2,0,0,0,0|2,0,0]=4 14595 B12R1.28 Cc1cc(ccn1)CNCCO 34a_100016990907_200020672517 [0,2,0,0,0,0|2,0,0]=4 14596 B12R1.28 Cc1cc(ccn1)COCCBr 34a_100000211926_200020672517 [0,2,0,0,0,0|2,0,0]=4 14597 B12R1.28 Cc1cc(ccn1)COCCF 34a_100011998630_100011217306 [0,2,0,0,0,0|2,0,0]=4 14598 B12R1.28 Cc1cc(ccn1)COCCN 34a_100000210304_200020672517 [0,2,0,0,0,0|2,0,0]=4 14599 B12R1.28 Cc1cc(ccn1)COCCO 34a_100011998630_100000211926 [0,2,0,0,0,0|1,0,0]=3 14600 B12R1.28 Cc1cc(ccn1)CSCCO 62a_100000211926_200020672517 [0,2,0,0,0,0|1,1,0]=4 14601 B12R1.28 Cc1cc(ccn1)CSCCO 62a_200020672517_100000211926 [0,2,0,0,0,0|1,1,0]=4 14602 B12R1.28 Cc1cc(ccn1)NCCCO 27a_100000182051_100000758586 [0,2,0,0,0,0|2,0,0]=4 14603 B12R1.28 Cc1cc(ccn1)OCCCF 34a_100000688365_100011934791 [0,2,0,0,0,0|2,0,0]=4 14604 B12R1.28 Cc1cc(ccn1)OCCCO 34a_100000688365_100000230001 [0,2,0,0,0,0|1,0,0]=3 14605 B12R1.28 Cc1cc(ccn1)SCCCO 62a_100000758586_100011215043 [0,2,0,0,0,0|1,1,0]=4 14606 B12R1.28 Cc1cc(ccn1)SCCCO 62a_100011215043_100000758586 [0,2,0,0,0,0|1,1,0]=4 14607 B12R1.28 Cc1cccc(c1)CCCN[13CH3] 2230a_103496528808_200025704644 [0,2,0,0,0,0|2,0,0]=4 14608 B12R1.28 Cc1cccc(c1)CCCN[13CH3] 34a_103496528808_200025704644 [0,2,0,0,0,0|2,0,0]=4 14609 B12R1.28 Cc1cccc(c1)CCNCF 34a_100000749837_100015361967 [0,2,0,0,0,0|2,0,0]=4 14610 B12R1.28 Cc1cccc(c1)CCOCF 34a_100011217157_100015361967 [0,2,0,0,0,0|2,0,0]=4 14611 B12R1.28 Cc1cccc(c1)CCOCF 7a_100011217157_100015361967 [0,2,0,0,0,0|2,0,0]=4 14612 B12R1.28 Cc1cccc(c1)CCSCF 62a_100011713685_100015361967 [0,2,0,0,0,0|2,0,0]=4 14613 B12R1.28 Cc1cccc(c1)CCSCF 62a_100015361967_100011713685 [0,2,0,0,0,0|2,0,0]=4 14614 B12R1.28 Cc1cccc(c1)CNCCF 2230a_100000185548_100011217306 [0,2,0,0,0,0|2,0,0]=4 14615 B12R1.28 Cc1cccc(c1)CNCCF 34a_100000185548_100011217306 [0,2,0,0,0,0|2,0,0]=4 14616 B12R1.28 Cc1cccc(c1)CNCCF 34a_100000724931_100000211840 [0,2,0,0,0,0|2,0,0]=4 14617 B12R1.28 Cc1cccc(c1)CNCCO 207a_100000210304_100000211157 [0,2,0,0,0,0|1,0,0]=3 14618 B12R1.28 Cc1cccc(c1)CNCCO 2230a_100000185548_100000211926 [0,2,0,0,0,0|1,0,0]=3 14619 B12R1.28 Cc1cccc(c1)CNCCO 2230a_100016997473_100000211840 [0,2,0,0,0,0|1,0,0]=3 14620 B12R1.28 Cc1cccc(c1)CNCCO 270004a_100000210304_100000211157 [0,2,0,0,0,0|1,0,0]=3 14621 B12R1.28 Cc1cccc(c1)CNCCO 34a_100000185548_100000211926 [0,2,0,0,0,0|1,0,0]=3 14622 B12R1.28 Cc1cccc(c1)CNCCO 34a_100016990907_100000211840 [0,2,0,0,0,0|1,0,0]=3 14623 B12R1.28 Cc1cccc(c1)COCC#N 7a_100011217746_100011215382 [0,2,0,0,0,0|1,0,1]=4 14624 B12R1.28 Cc1cccc(c1)COCC=O 34a_100011217746_200009817547 [0,2,0,0,0,0|0,0,2]=4 14625 B12R1.28 Cc1cccc(c1)COCC=O 7a_100011217746_200015260668 [0,2,0,0,0,0|0,0,2]=4 14626 B12R1.28 Cc1cccc(c1)COCCBr 34a_100000211926_100000211840 [0,2,0,0,0,0|1,0,0]=3 14627 B12R1.28 Cc1cccc(c1)COCCF 34a_100011217746_100011217306 [0,2,0,0,0,0|1,0,0]=3 14628 B12R1.28 Cc1cccc(c1)COCCF 7a_100011217746_100011217306 [0,2,0,0,0,0|1,0,0]=3 14629 B12R1.28 Cc1cccc(c1)COCCN 34a_100000210304_100000211840 [0,2,0,0,0,0|1,0,0]=3 14630 B12R1.28 Cc1cccc(c1)COCCO 34a_100011217746_100000211926 [0,2,0,0,0,0|0,0,0]=2 14631 B12R1.28 Cc1cccc(c1)COCCO 7a_100011217746_100000211926 [0,2,0,0,0,0|0,0,0]=2 14632 B12R1.28 Cc1cccc(c1)CSCCF 62a_100000211840_100011217306 [0,2,0,0,0,0|1,1,0]=4 14633 B12R1.28 Cc1cccc(c1)CSCCF 62a_100011217306_100000211840 [0,2,0,0,0,0|1,1,0]=4 14634 B12R1.28 Cc1cccc(c1)CSCCO 62a_100000211840_100000211926 [0,2,0,0,0,0|0,1,0]=3 14635 B12R1.28 Cc1cccc(c1)CSCCO 62a_100000211926_100000211840 [0,2,0,0,0,0|0,1,0]=3 14636 B12R1.28 Cc1cccc(c1)NCCC#N 2230a_100000188690_100011215226 [0,2,0,0,0,0|2,0,0]=4 14637 B12R1.28 Cc1cccc(c1)NCCCF 2230a_100000188690_100011934791 [0,2,0,0,0,0|2,0,0]=4 14638 B12R1.28 Cc1cccc(c1)NCCCF 34a_100000188690_100011934791 [0,2,0,0,0,0|2,0,0]=4 14639 B12R1.28 Cc1cccc(c1)NCCCO 2230a_100000188690_100000230001 [0,2,0,0,0,0|1,0,0]=3 14640 B12R1.28 Cc1cccc(c1)NCCCO 34a_100000188690_100000230001 [0,2,0,0,0,0|1,0,0]=3 14641 B12R1.28 Cc1cccc(c1)OCCC#N 7a_100000210337_100000184422 [0,2,0,0,0,0|1,0,0]=3 14642 B12R1.28 Cc1cccc(c1)OCCCF 34a_100000210337_100011934791 [0,2,0,0,0,0|1,0,0]=3 14643 B12R1.28 Cc1cccc(c1)OCCCF 7a_100000210337_100011934791 [0,2,0,0,0,0|1,0,0]=3 14644 B12R1.28 Cc1cccc(c1)OCCCO 34a_100000210337_100000230001 [0,2,0,0,0,0|0,0,0]=2 14645 B12R1.28 Cc1cccc(c1)OCCCO 7a_100000210337_100011215043 [0,2,0,0,0,0|0,0,0]=2 14646 B12R1.28 Cc1cccc(c1)OCCN[13CH3] 2230a_100015185188_200025704644 [0,2,0,0,0,0|1,0,0]=3 14647 B12R1.28 Cc1cccc(c1)OCCN[13CH3] 34a_100015185188_200025704644 [0,2,0,0,0,0|1,0,0]=3 14648 B12R1.28 Cc1cccc(c1)OCCO[13CH3] 34a_200011215094_200025704644 [0,2,0,0,0,0|0,0,0]=2 14649 B12R1.28 Cc1cccc(c1)OCCO[13CH3] 7a_200011215094_200025704644 [0,2,0,0,0,0|0,0,0]=2 14650 B12R1.28 Cc1cccc(c1)SCCC#N 62a_100011215226_100011215228 [0,2,0,0,0,0|1,1,0]=4 14651 B12R1.28 Cc1cccc(c1)SCCC#N 62a_100011215228_100011215226 [0,2,0,0,0,0|1,1,0]=4 14652 B12R1.28 Cc1cccc(c1)SCCCF 62a_100011215228_100011934791 [0,2,0,0,0,0|1,1,0]=4 14653 B12R1.28 Cc1cccc(c1)SCCCF 62a_100011934791_100011215228 [0,2,0,0,0,0|1,1,0]=4 14654 B12R1.28 Cc1cccc(c1)SCCCO 62a_100011215043_100011215228 [0,2,0,0,0,0|0,1,0]=3 14655 B12R1.28 Cc1cccc(c1)SCCCO 62a_100011215228_100011215043 [0,2,0,0,0,0|0,1,0]=3 14656 B12R1.28 Cc1cccc(c1)SCCO[13CH3] 34a_200011432187_200025704644 [0,2,0,0,0,0|0,1,0]=3 14657 B12R1.28 Cc1cccc(c1)SCCO[13CH3] 7a_200011432187_200025704644 [0,2,0,0,0,0|0,1,0]=3 14658 B12R1.28 Cc1cccc(n1)CCCO[13CH3] 34a_100000211354_200025704644 [0,2,0,0,0,0|2,0,0]=4 14659 B12R1.28 Cc1cccc(n1)CNCCO 207a_100000210304_100011215050 [0,2,0,0,0,0|2,0,0]=4 14660 B12R1.28 Cc1cccc(n1)CNCCO 2230a_100016997473_100000757606 [0,2,0,0,0,0|2,0,0]=4 14661 B12R1.28 Cc1cccc(n1)CNCCO 270004a_100000210304_100011215050 [0,2,0,0,0,0|2,0,0]=4 14662 B12R1.28 Cc1cccc(n1)CNCCO 34a_100000701342_100000211926 [0,2,0,0,0,0|2,0,0]=4 14663 B12R1.28 Cc1cccc(n1)CNCCO 34a_100016990907_100000757606 [0,2,0,0,0,0|2,0,0]=4 14664 B12R1.28 Cc1cccc(n1)COCCBr 34a_100000211926_100000757606 [0,2,0,0,0,0|2,0,0]=4 14665 B12R1.28 Cc1cccc(n1)COCCF 34a_100000690600_100011217306 [0,2,0,0,0,0|2,0,0]=4 14666 B12R1.28 Cc1cccc(n1)COCCN 34a_100000210304_100000757606 [0,2,0,0,0,0|2,0,0]=4 14667 B12R1.28 Cc1cccc(n1)COCCO 34a_100000690600_100000211926 [0,2,0,0,0,0|1,0,0]=3 14668 B12R1.28 Cc1cccc(n1)CSCCO 62a_100000211926_100000757606 [0,2,0,0,0,0|1,1,0]=4 14669 B12R1.28 Cc1cccc(n1)CSCCO 62a_100000757606_100000211926 [0,2,0,0,0,0|1,1,0]=4 14670 B12R1.28 Cc1cccc(n1)SCCCO 62a_100000742759_100011215043 [0,2,0,0,0,0|1,1,0]=4 14671 B12R1.28 Cc1cccc(n1)SCCCO 62a_100011215043_100000742759 [0,2,0,0,0,0|1,1,0]=4 14672 B12R1.28 Cc1ccnc(c1)CNCCO 207a_100000210304_100011361488 [0,2,0,0,0,0|2,0,0]=4 14673 B12R1.28 Cc1ccnc(c1)CNCCO 2230a_100016997473_100000718516 [0,2,0,0,0,0|2,0,0]=4 14674 B12R1.28 Cc1ccnc(c1)CNCCO 270004a_100000210304_100011361488 [0,2,0,0,0,0|2,0,0]=4 14675 B12R1.28 Cc1ccnc(c1)CNCCO 34a_100016990907_100000718516 [0,2,0,0,0,0|2,0,0]=4 14676 B12R1.28 Cc1ccnc(c1)COCCBr 34a_100000211926_100000718516 [0,2,0,0,0,0|2,0,0]=4 14677 B12R1.28 Cc1ccnc(c1)COCCF 34a_100011998357_100011217306 [0,2,0,0,0,0|2,0,0]=4 14678 B12R1.28 Cc1ccnc(c1)COCCN 34a_100000210304_100000718516 [0,2,0,0,0,0|2,0,0]=4 14679 B12R1.28 Cc1ccnc(c1)COCCO 34a_100011998357_100000211926 [0,2,0,0,0,0|1,0,0]=3 14680 B12R1.28 Cc1ccnc(c1)CSCCO 62a_100000211926_100000718516 [0,2,0,0,0,0|1,1,0]=4 14681 B12R1.28 Cc1ccnc(c1)CSCCO 62a_100000718516_100000211926 [0,2,0,0,0,0|1,1,0]=4 14682 B12R1.28 Cc1ccnc(c1)SCCCO 62a_100000750283_100011215043 [0,2,0,0,0,0|1,1,0]=4 14683 B12R1.28 Cc1ccnc(c1)SCCCO 62a_100011215043_100000750283 [0,2,0,0,0,0|1,1,0]=4 14684 B12R1.28 Cc1cncc(c1)CNCCO 207a_100000210304_100011998712 [0,2,0,0,0,0|2,0,0]=4 14685 B12R1.28 Cc1cncc(c1)CNCCO 2230a_100000692839_100000211926 [0,2,0,0,0,0|2,0,0]=4 14686 B12R1.28 Cc1cncc(c1)CNCCO 2230a_100016997473_100000716715 [0,2,0,0,0,0|2,0,0]=4 14687 B12R1.28 Cc1cncc(c1)CNCCO 270004a_100000210304_100011998712 [0,2,0,0,0,0|2,0,0]=4 14688 B12R1.28 Cc1cncc(c1)CNCCO 34a_100000692839_100000211926 [0,2,0,0,0,0|2,0,0]=4 14689 B12R1.28 Cc1cncc(c1)CNCCO 34a_100016990907_100000716715 [0,2,0,0,0,0|2,0,0]=4 14690 B12R1.28 Cc1cncc(c1)COCCBr 34a_100000211926_100000716715 [0,2,0,0,0,0|2,0,0]=4 14691 B12R1.28 Cc1cncc(c1)COCCF 34a_100011998709_100011217306 [0,2,0,0,0,0|2,0,0]=4 14692 B12R1.28 Cc1cncc(c1)COCCF 7a_100011998709_100011217306 [0,2,0,0,0,0|2,0,0]=4 14693 B12R1.28 Cc1cncc(c1)COCCN 34a_100000210304_100000716715 [0,2,0,0,0,0|2,0,0]=4 14694 B12R1.28 Cc1cncc(c1)COCCO 34a_100011998709_100000211926 [0,2,0,0,0,0|1,0,0]=3 14695 B12R1.28 Cc1cncc(c1)COCCO 7a_100011998709_100000211926 [0,2,0,0,0,0|1,0,0]=3 14696 B12R1.28 Cc1cncc(c1)CSCCO 62a_100000211926_100000716715 [0,2,0,0,0,0|1,1,0]=4 14697 B12R1.28 Cc1cncc(c1)CSCCO 62a_100000716715_100000211926 [0,2,0,0,0,0|1,1,0]=4 14698 B12R1.28 Cc1cncc(c1)OCCC#N 7a_100011830280_100000184422 [0,2,0,0,0,0|2,0,0]=4 14699 B12R1.28 Cc1cncc(c1)OCCCF 34a_100011830280_100011934791 [0,2,0,0,0,0|2,0,0]=4 14700 B12R1.28 Cc1cncc(c1)OCCCF 7a_100011830280_100011934791 [0,2,0,0,0,0|2,0,0]=4 14701 B12R1.28 Cc1cncc(c1)OCCCO 34a_100011830280_100000230001 [0,2,0,0,0,0|1,0,0]=3 14702 B12R1.28 Cc1cncc(c1)OCCCO 7a_100011830280_100011215043 [0,2,0,0,0,0|1,0,0]=3 14703 B12R1.28 Cc1cncc(c1)SCCCO 62a_100000760492_100011215043 [0,2,0,0,0,0|1,1,0]=4 14704 B12R1.28 Cc1cncc(c1)SCCCO 62a_100011215043_100000760492 [0,2,0,0,0,0|1,1,0]=4 14705 B12R1.28 Cc1cnnc(c1)COCCO 34a_100016212594_100000211926 [0,2,0,0,0,0|2,0,0]=4 14706 B12R1.28 Cc1cnnc(c1)OCCCO 34a_100000766097_100000230001 [0,2,0,0,0,0|2,0,0]=4 14707 B12R1.28 Clc1cc(ccn1)COCCBr 34a_100000211926_100000764220 [0,2,0,0,0,0|2,0,0]=4 14708 B12R1.28 Clc1cccc(c1)COCCBr 34a_100000211926_100000187163 [0,2,0,0,0,0|1,0,0]=3 14709 B12R1.28 Clc1cccc(n1)COCCBr 34a_100000211926_100000086093 [0,2,0,0,0,0|2,0,0]=4 14710 B12R1.28 Clc1ccnc(c1)COCCBr 34a_100000211926_100016988179 [0,2,0,0,0,0|2,0,0]=4 14711 B12R1.28 Clc1cncc(c1)COCCBr 34a_100000211926_100016992070 [0,2,0,0,0,0|2,0,0]=4 14712 B12R1.28 FCCCNc1cccc(c1)Br 34a_100000210019_100011934791 [0,2,0,0,0,0|2,0,0]=4 14713 B12R1.28 FCCCNc1cccc(c1)Cl 34a_100000185859_100011934791 [0,2,0,0,0,0|2,0,0]=4 14714 B12R1.28 FCCCNc1cccc(c1)F 34a_100000210047_100011934791 [0,2,0,0,0,0|2,0,0]=4 14715 B12R1.28 FCCCNc1cccc(c1)I 34a_100000211102_100011934791 [0,2,0,0,0,0|2,0,0]=4 14716 B12R1.28 FCCCOc1cccc(c1)Br 34a_100000210342_100011934791 [0,2,0,0,0,0|1,0,0]=3 14717 B12R1.28 FCCCOc1cccc(c1)Br 7a_100000210342_100011934791 [0,2,0,0,0,0|1,0,0]=3 14718 B12R1.28 FCCCOc1cccc(c1)Cl 34a_100000210295_100011934791 [0,2,0,0,0,0|1,0,0]=3 14719 B12R1.28 FCCCOc1cccc(c1)Cl 7a_100000210295_100011934791 [0,2,0,0,0,0|1,0,0]=3 14720 B12R1.28 FCCCOc1cccc(c1)F 34a_100000210426_100011934791 [0,2,0,0,0,0|1,0,0]=3 14721 B12R1.28 FCCCOc1cccc(c1)F 7a_100000210426_100011934791 [0,2,0,0,0,0|1,0,0]=3 14722 B12R1.28 FCCCOc1cccc(c1)I 34a_100000211634_100011934791 [0,2,0,0,0,0|1,0,0]=3 14723 B12R1.28 FCCCOc1cccc(c1)I 7a_100000211634_100011934791 [0,2,0,0,0,0|1,0,0]=3 14724 B12R1.28 FCCCOc1cccc(n1)F 34a_100011432558_100011934791 [0,2,0,0,0,0|2,0,0]=4 14725 B12R1.28 FCCCOc1ccnc(c1)Cl 34a_100000762945_100011934791 [0,2,0,0,0,0|2,0,0]=4 14726 B12R1.28 FCCCOc1ccnc(c1)F 34a_100000732698_100011934791 [0,2,0,0,0,0|2,0,0]=4 14727 B12R1.28 FCCCOc1cncc(c1)Br 34a_100000754920_100011934791 [0,2,0,0,0,0|2,0,0]=4 14728 B12R1.28 FCCCOc1cncc(c1)Br 7a_100000754920_100011934791 [0,2,0,0,0,0|2,0,0]=4 14729 B12R1.28 FCCCOc1cncc(c1)Cl 7a_100000032511_100011934791 [0,2,0,0,0,0|2,0,0]=4 14730 B12R1.28 FCCCOc1cncc(c1)F 34a_100011830296_100011934791 [0,2,0,0,0,0|2,0,0]=4 14731 B12R1.28 FCCCOc1cncc(c1)F 7a_100011830296_100011934791 [0,2,0,0,0,0|2,0,0]=4 14732 B12R1.28 FCCCSc1cccc(c1)Br 62a_100000691529_100011934791 [0,2,0,0,0,0|1,1,0]=4 14733 B12R1.28 FCCCSc1cccc(c1)Br 62a_100011934791_100000691529 [0,2,0,0,0,0|1,1,0]=4 14734 B12R1.28 FCCCSc1cccc(c1)Cl 62a_100000699651_100011934791 [0,2,0,0,0,0|1,1,0]=4 14735 B12R1.28 FCCCSc1cccc(c1)Cl 62a_100011934791_100000699651 [0,2,0,0,0,0|1,1,0]=4 14736 B12R1.28 FCCCSc1cccc(c1)F 62a_100000685547_100011934791 [0,2,0,0,0,0|1,1,0]=4 14737 B12R1.28 FCCCSc1cccc(c1)F 62a_100011934791_100000685547 [0,2,0,0,0,0|1,1,0]=4 14738 B12R1.28 FCCCSc1cccc(c1)[S] 62a_100011934791_114929384022 [0,2,0,0,0,0|1,1,0]=4 14739 B12R1.28 FCCCSc1cccc(c1)[S] 62a_114929384022_100011934791 [0,2,0,0,0,0|1,1,0]=4 14740 B12R1.28 FCCNCc1cccc(c1)Br 2230a_100000174977_100011217306 [0,2,0,0,0,0|2,0,0]=4 14741 B12R1.28 FCCNCc1cccc(c1)Br 34a_100000174977_100011217306 [0,2,0,0,0,0|2,0,0]=4 14742 B12R1.28 FCCNCc1cccc(c1)Br 34a_100000724931_100000698116 [0,2,0,0,0,0|2,0,0]=4 14743 B12R1.28 FCCNCc1cccc(c1)Cl 2230a_100000174878_100011217306 [0,2,0,0,0,0|2,0,0]=4 14744 B12R1.28 FCCNCc1cccc(c1)Cl 34a_100000174878_100011217306 [0,2,0,0,0,0|2,0,0]=4 14745 B12R1.28 FCCNCc1cccc(c1)Cl 34a_100000724931_100000187163 [0,2,0,0,0,0|2,0,0]=4 14746 B12R1.28 FCCNCc1cccc(c1)F 2230a_100000174948_100011217306 [0,2,0,0,0,0|2,0,0]=4 14747 B12R1.28 FCCNCc1cccc(c1)F 34a_100000174948_100011217306 [0,2,0,0,0,0|2,0,0]=4 14748 B12R1.28 FCCNCc1cccc(c1)F 34a_100000724931_100000187166 [0,2,0,0,0,0|2,0,0]=4 14749 B12R1.28 FCCNCc1cccc(c1)I 2230a_100000106179_100011217306 [0,2,0,0,0,0|2,0,0]=4 14750 B12R1.28 FCCNCc1cccc(c1)I 34a_100000106179_100011217306 [0,2,0,0,0,0|2,0,0]=4 14751 B12R1.28 FCCNCc1cccc(c1)I 34a_100000724931_100011218688 [0,2,0,0,0,0|2,0,0]=4 14752 B12R1.28 FCCOCc1cc(ccn1)Cl 34a_100000748867_100011217306 [0,2,0,0,0,0|2,0,0]=4 14753 B12R1.28 FCCOCc1cccc(c1)Br 34a_100000687537_100011217306 [0,2,0,0,0,0|1,0,0]=3 14754 B12R1.28 FCCOCc1cccc(c1)Br 7a_100000687537_100011217306 [0,2,0,0,0,0|1,0,0]=3 14755 B12R1.28 FCCOCc1cccc(c1)Cl 34a_100000241301_100011217306 [0,2,0,0,0,0|1,0,0]=3 14756 B12R1.28 FCCOCc1cccc(c1)Cl 7a_100000241301_100011217306 [0,2,0,0,0,0|1,0,0]=3 14757 B12R1.28 FCCOCc1cccc(c1)F 34a_100000210976_100011217306 [0,2,0,0,0,0|1,0,0]=3 14758 B12R1.28 FCCOCc1cccc(c1)F 7a_100000210976_100011217306 [0,2,0,0,0,0|1,0,0]=3 14759 B12R1.28 FCCOCc1cccc(c1)I 34a_100011215336_100011217306 [0,2,0,0,0,0|1,0,0]=3 14760 B12R1.28 FCCOCc1cccc(c1)I 7a_100011215336_100011217306 [0,2,0,0,0,0|1,0,0]=3 14761 B12R1.28 FCCOCc1cccc(n1)Br 34a_100000694195_100011217306 [0,2,0,0,0,0|2,0,0]=4 14762 B12R1.28 FCCOCc1cccc(n1)Cl 34a_100011998359_100011217306 [0,2,0,0,0,0|2,0,0]=4 14763 B12R1.28 FCCOCc1cccc(n1)F 34a_100000086748_100011217306 [0,2,0,0,0,0|2,0,0]=4 14764 B12R1.28 FCCOCc1ccnc(c1)Br 34a_100009814636_100011217306 [0,2,0,0,0,0|2,0,0]=4 14765 B12R1.28 FCCOCc1ccnc(c1)Br 7a_100009814636_100011217306 [0,2,0,0,0,0|2,0,0]=4 14766 B12R1.28 FCCOCc1ccnc(c1)Cl 34a_100000748751_100011217306 [0,2,0,0,0,0|2,0,0]=4 14767 B12R1.28 FCCOCc1ccnc(c1)F 34a_100000082451_100011217306 [0,2,0,0,0,0|2,0,0]=4 14768 B12R1.28 FCCOCc1cncc(c1)Br 34a_100011259137_100011217306 [0,2,0,0,0,0|2,0,0]=4 14769 B12R1.28 FCCOCc1cncc(c1)Br 7a_100011259137_100011217306 [0,2,0,0,0,0|2,0,0]=4 14770 B12R1.28 FCCOCc1cncc(c1)Cl 34a_100000092867_100011217306 [0,2,0,0,0,0|2,0,0]=4 14771 B12R1.28 FCCOCc1cncc(c1)Cl 7a_100000092867_100011217306 [0,2,0,0,0,0|2,0,0]=4 14772 B12R1.28 FCCOCc1cncc(c1)F 34a_100011962875_100011217306 [0,2,0,0,0,0|2,0,0]=4 14773 B12R1.28 FCCOCc1cncc(c1)F 7a_100011962875_100011217306 [0,2,0,0,0,0|2,0,0]=4 14774 B12R1.28 FCCSCc1cccc(c1)Br 62a_100000211773_100011217306 [0,2,0,0,0,0|1,1,0]=4 14775 B12R1.28 FCCSCc1cccc(c1)Br 62a_100011217306_100000211773 [0,2,0,0,0,0|1,1,0]=4 14776 B12R1.28 FCCSCc1cccc(c1)Cl 62a_100000187163_100011217306 [0,2,0,0,0,0|1,1,0]=4 14777 B12R1.28 FCCSCc1cccc(c1)Cl 62a_100011217306_100000187163 [0,2,0,0,0,0|1,1,0]=4 14778 B12R1.28 FCCSCc1cccc(c1)F 62a_100000230114_100011217306 [0,2,0,0,0,0|1,1,0]=4 14779 B12R1.28 FCCSCc1cccc(c1)F 62a_100011217306_100000230114 [0,2,0,0,0,0|1,1,0]=4 14780 B12R1.28 FCCSCc1cccc(c1)I 62a_100011217306_100011218688 [0,2,0,0,0,0|1,1,0]=4 14781 B12R1.28 FCCSCc1cccc(c1)I 62a_100011218688_100011217306 [0,2,0,0,0,0|1,1,0]=4 14782 B12R1.28 FCNCCc1cccc(c1)Br 34a_100011207229_100015361967 [0,2,0,0,0,0|2,0,0]=4 14783 B12R1.28 FCNCCc1cccc(c1)Cl 34a_100000185263_100015361967 [0,2,0,0,0,0|2,0,0]=4 14784 B12R1.28 FCNCCc1cccc(c1)F 34a_100000205154_100015361967 [0,2,0,0,0,0|2,0,0]=4 14785 B12R1.28 FCOCCc1cccc(c1)Br 34a_100011217444_100015361967 [0,2,0,0,0,0|2,0,0]=4 14786 B12R1.28 FCOCCc1cccc(c1)Br 7a_100011217444_100015361967 [0,2,0,0,0,0|2,0,0]=4 14787 B12R1.28 FCOCCc1cccc(c1)Cl 34a_100000754733_100015361967 [0,2,0,0,0,0|2,0,0]=4 14788 B12R1.28 FCOCCc1cccc(c1)Cl 7a_100000754733_100015361967 [0,2,0,0,0,0|2,0,0]=4 14789 B12R1.28 FCOCCc1cccc(c1)F 34a_100000763591_100015361967 [0,2,0,0,0,0|2,0,0]=4 14790 B12R1.28 FCOCCc1cccc(c1)F 7a_100000763591_100015361967 [0,2,0,0,0,0|2,0,0]=4 14791 B12R1.28 FCSCCc1cccc(c1)Br 62a_100011740638_100015361967 [0,2,0,0,0,0|2,0,0]=4 14792 B12R1.28 FCSCCc1cccc(c1)Br 62a_100015361967_100011740638 [0,2,0,0,0,0|2,0,0]=4 14793 B12R1.28 FCSCCc1cccc(c1)Cl 62a_100011713710_100015361967 [0,2,0,0,0,0|2,0,0]=4 14794 B12R1.28 FCSCCc1cccc(c1)Cl 62a_100015361967_100011713710 [0,2,0,0,0,0|2,0,0]=4 14795 B12R1.28 FCSCCc1cccc(c1)F 62a_100011217235_100015361967 [0,2,0,0,0,0|2,0,0]=4 14796 B12R1.28 FCSCCc1cccc(c1)F 62a_100015361967_100011217235 [0,2,0,0,0,0|2,0,0]=4 14797 B12R1.28 Fc1cccc(c1)COCCBr 34a_100000211926_100000187166 [0,2,0,0,0,0|1,0,0]=3 14798 B12R1.28 Fc1cccc(n1)COCCBr 34a_100000211926_100009819644 [0,2,0,0,0,0|2,0,0]=4 14799 B12R1.28 Fc1cncc(c1)COCCBr 34a_100000211926_100000725299 [0,2,0,0,0,0|2,0,0]=4 14800 B12R1.28 N#CCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000184422 [0,2,0,0,0,0|2,0,0]=4 14801 B12R1.28 N#CCCOc1cccc(c1)Br 7a_100000210342_100000184422 [0,2,0,0,0,0|1,0,0]=3 14802 B12R1.28 N#CCCOc1cccc(c1)Cl 7a_100000210295_100000184422 [0,2,0,0,0,0|1,0,0]=3 14803 B12R1.28 N#CCCOc1cccc(c1)F 7a_100000210426_100000184422 [0,2,0,0,0,0|1,0,0]=3 14804 B12R1.28 N#CCCOc1cccc(c1)I 7a_100000211634_100000184422 [0,2,0,0,0,0|1,0,0]=3 14805 B12R1.28 N#CCCOc1cncc(c1)Br 7a_100000754920_100000184422 [0,2,0,0,0,0|2,0,0]=4 14806 B12R1.28 N#CCCOc1cncc(c1)Cl 7a_100000032511_100000184422 [0,2,0,0,0,0|2,0,0]=4 14807 B12R1.28 N#CCCOc1cncc(c1)F 7a_100011830296_100000184422 [0,2,0,0,0,0|2,0,0]=4 14808 B12R1.28 N#CCCSc1cccc(c1)Br 62a_100000691529_100011215226 [0,2,0,0,0,0|1,1,0]=4 14809 B12R1.28 N#CCCSc1cccc(c1)Br 62a_100011215226_100000691529 [0,2,0,0,0,0|1,1,0]=4 14810 B12R1.28 N#CCCSc1cccc(c1)Cl 62a_100000699651_100011215226 [0,2,0,0,0,0|1,1,0]=4 14811 B12R1.28 N#CCCSc1cccc(c1)Cl 62a_100011215226_100000699651 [0,2,0,0,0,0|1,1,0]=4 14812 B12R1.28 N#CCCSc1cccc(c1)F 62a_100000685547_100011215226 [0,2,0,0,0,0|1,1,0]=4 14813 B12R1.28 N#CCCSc1cccc(c1)F 62a_100011215226_100000685547 [0,2,0,0,0,0|1,1,0]=4 14814 B12R1.28 N#CCCSc1cccc(c1)N 62a_100000210019_100011215226 [0,2,0,0,0,0|1,1,0]=4 14815 B12R1.28 N#CCCSc1cccc(c1)N 62a_100011215226_100000210019 [0,2,0,0,0,0|1,1,0]=4 14816 B12R1.28 N#CCCSc1cccc(c1)O 62a_100011215226_100000211634 [0,2,0,0,0,0|1,1,0]=4 14817 B12R1.28 N#CCCSc1cccc(c1)[S] 62a_100011215226_114929384022 [0,2,0,0,0,0|1,1,0]=4 14818 B12R1.28 N#CCCSc1cccc(c1)[S] 62a_114929384022_100011215226 [0,2,0,0,0,0|1,1,0]=4 14819 B12R1.28 N#CCOCc1cccc(c1)Br 7a_100000687537_100011215382 [0,2,0,0,0,0|1,0,1]=4 14820 B12R1.28 N#CCOCc1cccc(c1)Cl 7a_100000241301_100011215382 [0,2,0,0,0,0|1,0,1]=4 14821 B12R1.28 N#CCOCc1cccc(c1)F 7a_100000210976_100011215382 [0,2,0,0,0,0|1,0,1]=4 14822 B12R1.28 N#CCOCc1cccc(c1)I 7a_100011215336_100011215382 [0,2,0,0,0,0|1,0,1]=4 14823 B12R1.28 NCCOCc1cc(ccn1)Br 34a_100000210304_100010173614 [0,2,0,0,0,0|2,0,0]=4 14824 B12R1.28 NCCOCc1cc(ccn1)Cl 34a_100000210304_100016988179 [0,2,0,0,0,0|2,0,0]=4 14825 B12R1.28 NCCOCc1cccc(c1)Br 34a_100000210304_100000698116 [0,2,0,0,0,0|1,0,0]=3 14826 B12R1.28 NCCOCc1cccc(c1)Cl 34a_100000210304_100000187163 [0,2,0,0,0,0|1,0,0]=3 14827 B12R1.28 NCCOCc1cccc(c1)F 34a_100000210304_100000187166 [0,2,0,0,0,0|1,0,0]=3 14828 B12R1.28 NCCOCc1cccc(c1)I 34a_100000210304_100011218688 [0,2,0,0,0,0|1,0,0]=3 14829 B12R1.28 NCCOCc1cccc(c1)O 34a_100000210304_100011660834 [0,2,0,0,0,0|1,0,0]=3 14830 B12R1.28 NCCOCc1cccc(n1)Br 34a_100000210304_100009889011 [0,2,0,0,0,0|2,0,0]=4 14831 B12R1.28 NCCOCc1cccc(n1)Cl 34a_100000210304_100000086093 [0,2,0,0,0,0|2,0,0]=4 14832 B12R1.28 NCCOCc1cccc(n1)F 34a_100000210304_100009819644 [0,2,0,0,0,0|2,0,0]=4 14833 B12R1.28 NCCOCc1ccnc(c1)Br 34a_100000210304_100010243470 [0,2,0,0,0,0|2,0,0]=4 14834 B12R1.28 NCCOCc1ccnc(c1)Cl 34a_100000210304_100000764220 [0,2,0,0,0,0|2,0,0]=4 14835 B12R1.28 NCCOCc1cncc(c1)Br 34a_100000210304_100000738771 [0,2,0,0,0,0|2,0,0]=4 14836 B12R1.28 NCCOCc1cncc(c1)Cl 34a_100000210304_100016992070 [0,2,0,0,0,0|2,0,0]=4 14837 B12R1.28 NCCOCc1cncc(c1)F 34a_100000210304_100000725299 [0,2,0,0,0,0|2,0,0]=4 14838 B12R1.28 Nc1cc(ccn1)OCCCF 34a_100011834064_100011934791 [0,2,0,0,0,0|2,0,0]=4 14839 B12R1.28 Nc1cc(ccn1)OCCCO 34a_100011834064_100000230001 [0,2,0,0,0,0|1,0,0]=3 14840 B12R1.28 Nc1cc(ccn1)SCCCO 62a_100000049665_100011215043 [0,2,0,0,0,0|1,1,0]=4 14841 B12R1.28 Nc1cc(ccn1)SCCCO 62a_100011215043_100000049665 [0,2,0,0,0,0|1,1,0]=4 14842 B12R1.28 Nc1cc(cnn1)OCCCO 34a_200015193112_100000230001 [0,2,0,0,0,0|2,0,0]=4 14843 B12R1.28 Nc1cccc(c1)CCOCF 34a_100011996697_100015361967 [0,2,0,0,0,0|2,0,0]=4 14844 B12R1.28 Nc1cccc(c1)COCC=O 34a_100000211919_200009817547 [0,2,0,0,0,0|0,0,2]=4 14845 B12R1.28 Nc1cccc(c1)COCCF 34a_100000211919_100011217306 [0,2,0,0,0,0|1,0,0]=3 14846 B12R1.28 Nc1cccc(c1)COCCO 34a_100000211919_100000211926 [0,2,0,0,0,0|0,0,0]=2 14847 B12R1.28 Nc1cccc(c1)OCCCF 34a_100000210217_100011934791 [0,2,0,0,0,0|1,0,0]=3 14848 B12R1.28 Nc1cccc(c1)OCCCO 34a_100000210217_100000230001 [0,2,0,0,0,0|0,0,0]=2 14849 B12R1.28 Nc1cccc(c1)SCCCF 62a_100000210019_100011934791 [0,2,0,0,0,0|1,1,0]=4 14850 B12R1.28 Nc1cccc(c1)SCCCF 62a_100011934791_100000210019 [0,2,0,0,0,0|1,1,0]=4 14851 B12R1.28 Nc1cccc(c1)SCCCO 62a_100000210019_100011215043 [0,2,0,0,0,0|0,1,0]=3 14852 B12R1.28 Nc1cccc(c1)SCCCO 62a_100011215043_100000210019 [0,2,0,0,0,0|0,1,0]=3 14853 B12R1.28 Nc1cccc(n1)SCCCO 62a_100000740741_100011215043 [0,2,0,0,0,0|1,1,0]=4 14854 B12R1.28 Nc1cccc(n1)SCCCO 62a_100011215043_100000740741 [0,2,0,0,0,0|1,1,0]=4 14855 B12R1.28 Nc1ccnc(c1)COCCF 34a_100000692640_100011217306 [0,2,0,0,0,0|2,0,0]=4 14856 B12R1.28 Nc1ccnc(c1)COCCO 34a_100000692640_100000211926 [0,2,0,0,0,0|1,0,0]=3 14857 B12R1.28 Nc1ccnc(c1)SCCCO 62a_100009814236_100011215043 [0,2,0,0,0,0|1,1,0]=4 14858 B12R1.28 Nc1ccnc(c1)SCCCO 62a_100011215043_100009814236 [0,2,0,0,0,0|1,1,0]=4 14859 B12R1.28 Nc1cncc(c1)COCCF 34a_100000085308_100011217306 [0,2,0,0,0,0|2,0,0]=4 14860 B12R1.28 Nc1cncc(c1)COCCO 34a_100000085308_100000211926 [0,2,0,0,0,0|1,0,0]=3 14861 B12R1.28 Nc1cncc(c1)OCCCF 34a_100011997051_100011934791 [0,2,0,0,0,0|2,0,0]=4 14862 B12R1.28 Nc1cncc(c1)OCCCO 34a_100011997051_100000230001 [0,2,0,0,0,0|1,0,0]=3 14863 B12R1.28 Nc1cncc(c1)SCCCO 62a_100000687067_100011215043 [0,2,0,0,0,0|1,1,0]=4 14864 B12R1.28 Nc1cncc(c1)SCCCO 62a_100011215043_100000687067 [0,2,0,0,0,0|1,1,0]=4 14865 B12R1.28 O=CCOCc1cccc(c1)Br 34a_100000687537_200009817547 [0,2,0,0,0,0|0,0,2]=4 14866 B12R1.28 O=CCOCc1cccc(c1)Br 7a_100000687537_200015260668 [0,2,0,0,0,0|0,0,2]=4 14867 B12R1.28 O=CCOCc1cccc(c1)Cl 34a_100000241301_200009817547 [0,2,0,0,0,0|0,0,2]=4 14868 B12R1.28 O=CCOCc1cccc(c1)Cl 7a_100000241301_200015260668 [0,2,0,0,0,0|0,0,2]=4 14869 B12R1.28 O=CCOCc1cccc(c1)F 34a_100000210976_200009817547 [0,2,0,0,0,0|0,0,2]=4 14870 B12R1.28 O=CCOCc1cccc(c1)F 7a_100000210976_200015260668 [0,2,0,0,0,0|0,0,2]=4 14871 B12R1.28 O=CCOCc1cccc(c1)I 34a_100011215336_200009817547 [0,2,0,0,0,0|0,0,2]=4 14872 B12R1.28 O=CCOCc1cccc(c1)I 7a_100011215336_200015260668 [0,2,0,0,0,0|0,0,2]=4 14873 B12R1.28 O=c1cc(cc[nH]1)NCCCO 27a_100000182051_100000061649 [0,2,0,0,0,0|2,0,0]=4 14874 B12R1.28 O=c1cc(cc[nH]1)OCCCF 34a_100000032262_100011934791 [0,2,0,0,0,0|2,0,0]=4 14875 B12R1.28 O=c1cc(cc[nH]1)OCCCO 34a_100000032262_100000230001 [0,2,0,0,0,0|1,0,0]=3 14876 B12R1.28 O=c1cc(cc[nH]1)SCCCO 62a_100009816521_100011215043 [0,2,0,0,0,0|1,1,0]=4 14877 B12R1.28 O=c1cc(cc[nH]1)SCCCO 62a_100011215043_100009816521 [0,2,0,0,0,0|1,1,0]=4 14878 B12R1.28 O=c1cc[nH]c(c1)SCCCO 62a_100009817434_100011215043 [0,2,0,0,0,0|1,1,0]=4 14879 B12R1.28 O=c1cccc([nH]1)CNCCO 207a_100000210304_100011935257 [0,2,0,0,0,0|2,0,0]=4 14880 B12R1.28 O=c1cccc([nH]1)CNCCO 2230a_100000696482_100000211926 [0,2,0,0,0,0|2,0,0]=4 14881 B12R1.28 O=c1cccc([nH]1)OCCCF 34a_100000033347_100011934791 [0,2,0,0,0,0|2,0,0]=4 14882 B12R1.28 O=c1cccc([nH]1)OCCCO 34a_100000033347_100000230001 [0,2,0,0,0,0|1,0,0]=3 14883 B12R1.28 O=c1cccc([nH]1)SCCCO 62a_100011215043_100000752884 [0,2,0,0,0,0|1,1,0]=4 14884 B12R1.28 OCCCNc1cc(ccn1)F 27a_100000182051_100000764206 [0,2,0,0,0,0|2,0,0]=4 14885 B12R1.28 OCCCNc1cccc(c1)Br 34a_100000210019_100000230001 [0,2,0,0,0,0|1,0,0]=3 14886 B12R1.28 OCCCNc1cccc(c1)Cl 34a_100000185859_100000230001 [0,2,0,0,0,0|1,0,0]=3 14887 B12R1.28 OCCCNc1cccc(c1)F 34a_100000210047_100000230001 [0,2,0,0,0,0|1,0,0]=3 14888 B12R1.28 OCCCNc1cccc(c1)I 34a_100000211102_100000230001 [0,2,0,0,0,0|1,0,0]=3 14889 B12R1.28 OCCCNc1cccc(c1)O 34a_100000210217_100000230001 [0,2,0,0,0,0|1,0,0]=3 14890 B12R1.28 OCCCNc1cccc(n1)F 27a_100000182051_100009815982 [0,2,0,0,0,0|2,0,0]=4 14891 B12R1.28 OCCCNc1ccnc(c1)F 27a_100000182051_100009816116 [0,2,0,0,0,0|2,0,0]=4 14892 B12R1.28 OCCCOc1cccc(c1)Br 34a_100000210342_100000230001 [0,2,0,0,0,0|0,0,0]=2 14893 B12R1.28 OCCCOc1cccc(c1)Br 7a_100000210342_100011215043 [0,2,0,0,0,0|0,0,0]=2 14894 B12R1.28 OCCCOc1cccc(c1)Cl 34a_100000210295_100000230001 [0,2,0,0,0,0|0,0,0]=2 14895 B12R1.28 OCCCOc1cccc(c1)Cl 7a_100000210295_100011215043 [0,2,0,0,0,0|0,0,0]=2 14896 B12R1.28 OCCCOc1cccc(c1)F 34a_100000210426_100000230001 [0,2,0,0,0,0|0,0,0]=2 14897 B12R1.28 OCCCOc1cccc(c1)F 7a_100000210426_100011215043 [0,2,0,0,0,0|0,0,0]=2 14898 B12R1.28 OCCCOc1cccc(c1)I 34a_100000211634_100000230001 [0,2,0,0,0,0|0,0,0]=2 14899 B12R1.28 OCCCOc1cccc(c1)I 7a_100000211634_100011215043 [0,2,0,0,0,0|0,0,0]=2 14900 B12R1.28 OCCCOc1cccc(n1)F 34a_100011432558_100000230001 [0,2,0,0,0,0|1,0,0]=3 14901 B12R1.28 OCCCOc1ccnc(c1)Cl 34a_100000762945_100000230001 [0,2,0,0,0,0|1,0,0]=3 14902 B12R1.28 OCCCOc1ccnc(c1)F 34a_100000732698_100000230001 [0,2,0,0,0,0|1,0,0]=3 14903 B12R1.28 OCCCOc1cncc(c1)Br 34a_100000754920_100000230001 [0,2,0,0,0,0|1,0,0]=3 14904 B12R1.28 OCCCOc1cncc(c1)Br 7a_100000754920_100011215043 [0,2,0,0,0,0|1,0,0]=3 14905 B12R1.28 OCCCOc1cncc(c1)Cl 7a_100000032511_100011215043 [0,2,0,0,0,0|1,0,0]=3 14906 B12R1.28 OCCCOc1cncc(c1)F 34a_100011830296_100000230001 [0,2,0,0,0,0|1,0,0]=3 14907 B12R1.28 OCCCOc1cncc(c1)F 7a_100011830296_100011215043 [0,2,0,0,0,0|1,0,0]=3 14908 B12R1.28 OCCCOc1cnnc(c1)Cl 34a_200010734679_100000230001 [0,2,0,0,0,0|2,0,0]=4 14909 B12R1.28 OCCCSc1cc(ccn1)Cl 62a_100010167805_100011215043 [0,2,0,0,0,0|1,1,0]=4 14910 B12R1.28 OCCCSc1cc(ccn1)Cl 62a_100011215043_100010167805 [0,2,0,0,0,0|1,1,0]=4 14911 B12R1.28 OCCCSc1cc(ccn1)F 62a_100000764206_100011215043 [0,2,0,0,0,0|1,1,0]=4 14912 B12R1.28 OCCCSc1cc(ccn1)F 62a_100011215043_100000764206 [0,2,0,0,0,0|1,1,0]=4 14913 B12R1.28 OCCCSc1cc(ccn1)O 62a_100011215043_100000762945 [0,2,0,0,0,0|1,1,0]=4 14914 B12R1.28 OCCCSc1cccc(c1)Br 62a_100000691529_100011215043 [0,2,0,0,0,0|0,1,0]=3 14915 B12R1.28 OCCCSc1cccc(c1)Br 62a_100011215043_100000691529 [0,2,0,0,0,0|0,1,0]=3 14916 B12R1.28 OCCCSc1cccc(c1)Cl 62a_100000699651_100011215043 [0,2,0,0,0,0|0,1,0]=3 14917 B12R1.28 OCCCSc1cccc(c1)Cl 62a_100011215043_100000699651 [0,2,0,0,0,0|0,1,0]=3 14918 B12R1.28 OCCCSc1cccc(c1)F 62a_100000685547_100011215043 [0,2,0,0,0,0|0,1,0]=3 14919 B12R1.28 OCCCSc1cccc(c1)F 62a_100011215043_100000685547 [0,2,0,0,0,0|0,1,0]=3 14920 B12R1.28 OCCCSc1cccc(c1)O 62a_100011215043_100000211634 [0,2,0,0,0,0|0,1,0]=3 14921 B12R1.28 OCCCSc1cccc(c1)[S] 62a_100011215043_114929384022 [0,2,0,0,0,0|0,1,0]=3 14922 B12R1.28 OCCCSc1cccc(c1)[S] 62a_114929384022_100011215043 [0,2,0,0,0,0|0,1,0]=3 14923 B12R1.28 OCCCSc1cccc(n1)Br 62a_100000684672_100011215043 [0,2,0,0,0,0|1,1,0]=4 14924 B12R1.28 OCCCSc1cccc(n1)Br 62a_100011215043_100000684672 [0,2,0,0,0,0|1,1,0]=4 14925 B12R1.28 OCCCSc1cccc(n1)Cl 62a_100000051397_100011215043 [0,2,0,0,0,0|1,1,0]=4 14926 B12R1.28 OCCCSc1cccc(n1)Cl 62a_100011215043_100000051397 [0,2,0,0,0,0|1,1,0]=4 14927 B12R1.28 OCCCSc1cccc(n1)F 62a_100009815982_100011215043 [0,2,0,0,0,0|1,1,0]=4 14928 B12R1.28 OCCCSc1cccc(n1)F 62a_100011215043_100009815982 [0,2,0,0,0,0|1,1,0]=4 14929 B12R1.28 OCCCSc1ccnc(c1)Br 62a_100009814637_100011215043 [0,2,0,0,0,0|1,1,0]=4 14930 B12R1.28 OCCCSc1ccnc(c1)Br 62a_100011215043_100009814637 [0,2,0,0,0,0|1,1,0]=4 14931 B12R1.28 OCCCSc1ccnc(c1)Cl 62a_100000035001_100011215043 [0,2,0,0,0,0|1,1,0]=4 14932 B12R1.28 OCCCSc1ccnc(c1)Cl 62a_100011215043_100000035001 [0,2,0,0,0,0|1,1,0]=4 14933 B12R1.28 OCCCSc1ccnc(c1)F 62a_100009816116_100011215043 [0,2,0,0,0,0|1,1,0]=4 14934 B12R1.28 OCCCSc1ccnc(c1)F 62a_100011215043_100009816116 [0,2,0,0,0,0|1,1,0]=4 14935 B12R1.28 OCCCSc1cncc(c1)Br 62a_100000728054_100011215043 [0,2,0,0,0,0|1,1,0]=4 14936 B12R1.28 OCCCSc1cncc(c1)Br 62a_100011215043_100000728054 [0,2,0,0,0,0|1,1,0]=4 14937 B12R1.28 OCCCSc1cncc(c1)Cl 62a_100000049639_100011215043 [0,2,0,0,0,0|1,1,0]=4 14938 B12R1.28 OCCCSc1cncc(c1)Cl 62a_100011215043_100000049639 [0,2,0,0,0,0|1,1,0]=4 14939 B12R1.28 OCCCSc1cncc(c1)F 62a_100000744099_100011215043 [0,2,0,0,0,0|1,1,0]=4 14940 B12R1.28 OCCCSc1cncc(c1)F 62a_100011215043_100000744099 [0,2,0,0,0,0|1,1,0]=4 14941 B12R1.28 OCCCSc1cncc(c1)O 62a_100000754920_100011215043 [0,2,0,0,0,0|1,1,0]=4 14942 B12R1.28 OCCCSc1cncc(c1)O 62a_100011215043_100000754920 [0,2,0,0,0,0|1,1,0]=4 14943 B12R1.28 OCCNCc1cc(ccn1)Br 2230a_100016997473_100010173614 [0,2,0,0,0,0|2,0,0]=4 14944 B12R1.28 OCCNCc1cc(ccn1)Br 270004a_100000210304_100009818557 [0,2,0,0,0,0|2,0,0]=4 14945 B12R1.28 OCCNCc1cc(ccn1)Br 34a_100016990907_100010173614 [0,2,0,0,0,0|2,0,0]=4 14946 B12R1.28 OCCNCc1cc(ccn1)Cl 2230a_100016997473_100016988179 [0,2,0,0,0,0|2,0,0]=4 14947 B12R1.28 OCCNCc1cc(ccn1)Cl 270004a_100000210304_100011998288 [0,2,0,0,0,0|2,0,0]=4 14948 B12R1.28 OCCNCc1cc(ccn1)Cl 34a_100016990907_100016988179 [0,2,0,0,0,0|2,0,0]=4 14949 B12R1.28 OCCNCc1cccc(c1)Br 207a_100000210304_100000210085 [0,2,0,0,0,0|1,0,0]=3 14950 B12R1.28 OCCNCc1cccc(c1)Br 2230a_100000174977_100000211926 [0,2,0,0,0,0|1,0,0]=3 14951 B12R1.28 OCCNCc1cccc(c1)Br 2230a_100016997473_100000698116 [0,2,0,0,0,0|1,0,0]=3 14952 B12R1.28 OCCNCc1cccc(c1)Br 270004a_100000210304_100000210085 [0,2,0,0,0,0|1,0,0]=3 14953 B12R1.28 OCCNCc1cccc(c1)Br 34a_100000174977_100000211926 [0,2,0,0,0,0|1,0,0]=3 14954 B12R1.28 OCCNCc1cccc(c1)Br 34a_100016990907_100000698116 [0,2,0,0,0,0|1,0,0]=3 14955 B12R1.28 OCCNCc1cccc(c1)Cl 207a_100000210304_100000210801 [0,2,0,0,0,0|1,0,0]=3 14956 B12R1.28 OCCNCc1cccc(c1)Cl 2230a_100000174878_100000211926 [0,2,0,0,0,0|1,0,0]=3 14957 B12R1.28 OCCNCc1cccc(c1)Cl 2230a_100016997473_100000181238 [0,2,0,0,0,0|1,0,0]=3 14958 B12R1.28 OCCNCc1cccc(c1)Cl 270004a_100000210304_100000210801 [0,2,0,0,0,0|1,0,0]=3 14959 B12R1.28 OCCNCc1cccc(c1)Cl 34a_100000174878_100000211926 [0,2,0,0,0,0|1,0,0]=3 14960 B12R1.28 OCCNCc1cccc(c1)Cl 34a_100016990907_100000187163 [0,2,0,0,0,0|1,0,0]=3 14961 B12R1.28 OCCNCc1cccc(c1)F 207a_100000210304_100000210812 [0,2,0,0,0,0|1,0,0]=3 14962 B12R1.28 OCCNCc1cccc(c1)F 2230a_100000174948_100000211926 [0,2,0,0,0,0|1,0,0]=3 14963 B12R1.28 OCCNCc1cccc(c1)F 2230a_100016997473_100000230114 [0,2,0,0,0,0|1,0,0]=3 14964 B12R1.28 OCCNCc1cccc(c1)F 270004a_100000210304_100000210812 [0,2,0,0,0,0|1,0,0]=3 14965 B12R1.28 OCCNCc1cccc(c1)F 34a_100000174948_100000211926 [0,2,0,0,0,0|1,0,0]=3 14966 B12R1.28 OCCNCc1cccc(c1)F 34a_100016990907_100000187166 [0,2,0,0,0,0|1,0,0]=3 14967 B12R1.28 OCCNCc1cccc(c1)I 207a_100000210304_100000014684 [0,2,0,0,0,0|1,0,0]=3 14968 B12R1.28 OCCNCc1cccc(c1)I 2230a_100000106179_100000211926 [0,2,0,0,0,0|1,0,0]=3 14969 B12R1.28 OCCNCc1cccc(c1)I 2230a_100016997473_100011218688 [0,2,0,0,0,0|1,0,0]=3 14970 B12R1.28 OCCNCc1cccc(c1)I 270004a_100000210304_100000014684 [0,2,0,0,0,0|1,0,0]=3 14971 B12R1.28 OCCNCc1cccc(c1)I 34a_100000106179_100000211926 [0,2,0,0,0,0|1,0,0]=3 14972 B12R1.28 OCCNCc1cccc(c1)I 34a_100016990907_100011218688 [0,2,0,0,0,0|1,0,0]=3 14973 B12R1.28 OCCNCc1cccc(c1)O 207a_100000210304_100000188321 [0,2,0,0,0,0|1,0,0]=3 14974 B12R1.28 OCCNCc1cccc(c1)O 2230a_100000743036_100000211926 [0,2,0,0,0,0|1,0,0]=3 14975 B12R1.28 OCCNCc1cccc(c1)O 2230a_100016997473_100011660834 [0,2,0,0,0,0|1,0,0]=3 14976 B12R1.28 OCCNCc1cccc(c1)O 270004a_100000210304_100000188321 [0,2,0,0,0,0|1,0,0]=3 14977 B12R1.28 OCCNCc1cccc(c1)O 34a_100000743036_100000211926 [0,2,0,0,0,0|1,0,0]=3 14978 B12R1.28 OCCNCc1cccc(c1)O 34a_100016990907_100011660834 [0,2,0,0,0,0|1,0,0]=3 14979 B12R1.28 OCCNCc1cccc(n1)Br 2230a_100016987751_100000211926 [0,2,0,0,0,0|2,0,0]=4 14980 B12R1.28 OCCNCc1cccc(n1)Br 2230a_100016997473_100009889011 [0,2,0,0,0,0|2,0,0]=4 14981 B12R1.28 OCCNCc1cccc(n1)Br 270004a_100000210304_100000688028 [0,2,0,0,0,0|2,0,0]=4 14982 B12R1.28 OCCNCc1cccc(n1)Br 34a_100016990907_100009889011 [0,2,0,0,0,0|2,0,0]=4 14983 B12R1.28 OCCNCc1cccc(n1)Cl 2230a_100016990191_100000211926 [0,2,0,0,0,0|2,0,0]=4 14984 B12R1.28 OCCNCc1cccc(n1)Cl 2230a_100016997473_100000086093 [0,2,0,0,0,0|2,0,0]=4 14985 B12R1.28 OCCNCc1cccc(n1)Cl 270004a_100000210304_100011361687 [0,2,0,0,0,0|2,0,0]=4 14986 B12R1.28 OCCNCc1cccc(n1)Cl 34a_100016990907_100000086093 [0,2,0,0,0,0|2,0,0]=4 14987 B12R1.28 OCCNCc1cccc(n1)F 2230a_100015188798_100000211926 [0,2,0,0,0,0|2,0,0]=4 14988 B12R1.28 OCCNCc1cccc(n1)F 2230a_100016997473_100009819644 [0,2,0,0,0,0|2,0,0]=4 14989 B12R1.28 OCCNCc1cccc(n1)F 270004a_100000210304_100000050434 [0,2,0,0,0,0|2,0,0]=4 14990 B12R1.28 OCCNCc1cccc(n1)F 34a_100015188798_100000211926 [0,2,0,0,0,0|2,0,0]=4 14991 B12R1.28 OCCNCc1cccc(n1)F 34a_100016990907_100009819644 [0,2,0,0,0,0|2,0,0]=4 14992 B12R1.28 OCCNCc1ccnc(c1)Br 2230a_100016997473_100010243470 [0,2,0,0,0,0|2,0,0]=4 14993 B12R1.28 OCCNCc1ccnc(c1)Br 2230a_100025757509_100000211926 [0,2,0,0,0,0|2,0,0]=4 14994 B12R1.28 OCCNCc1ccnc(c1)Br 270004a_100000210304_100009814634 [0,2,0,0,0,0|2,0,0]=4 14995 B12R1.28 OCCNCc1ccnc(c1)Br 34a_100016990907_100010243470 [0,2,0,0,0,0|2,0,0]=4 14996 B12R1.28 OCCNCc1ccnc(c1)Br 34a_100025757509_100000211926 [0,2,0,0,0,0|2,0,0]=4 14997 B12R1.28 OCCNCc1ccnc(c1)Cl 2230a_100015205668_100000211926 [0,2,0,0,0,0|2,0,0]=4 14998 B12R1.28 OCCNCc1ccnc(c1)Cl 2230a_100016997473_100000764220 [0,2,0,0,0,0|2,0,0]=4 14999 B12R1.28 OCCNCc1ccnc(c1)Cl 270004a_100000210304_100011290808 [0,2,0,0,0,0|2,0,0]=4 15000 B12R1.28 OCCNCc1ccnc(c1)Cl 34a_100015205668_100000211926 [0,2,0,0,0,0|2,0,0]=4 15001 B12R1.28 OCCNCc1ccnc(c1)Cl 34a_100016990907_100000764220 [0,2,0,0,0,0|2,0,0]=4 15002 B12R1.28 OCCNCc1ccnc(c1)F 2230a_100015188774_100000211926 [0,2,0,0,0,0|2,0,0]=4 15003 B12R1.28 OCCNCc1ccnc(c1)F 270004a_100000210304_100000068331 [0,2,0,0,0,0|2,0,0]=4 15004 B12R1.28 OCCNCc1ccnc(c1)F 34a_100015188774_100000211926 [0,2,0,0,0,0|2,0,0]=4 15005 B12R1.28 OCCNCc1ccnc(c1)O 207a_100000210304_100000688113 [0,2,0,0,0,0|2,0,0]=4 15006 B12R1.28 OCCNCc1cncc(c1)Br 207a_100000210304_100000687066 [0,2,0,0,0,0|2,0,0]=4 15007 B12R1.28 OCCNCc1cncc(c1)Br 2230a_100016997473_100000738771 [0,2,0,0,0,0|2,0,0]=4 15008 B12R1.28 OCCNCc1cncc(c1)Br 270004a_100000210304_100000687066 [0,2,0,0,0,0|2,0,0]=4 15009 B12R1.28 OCCNCc1cncc(c1)Br 34a_100016990907_100000738771 [0,2,0,0,0,0|2,0,0]=4 15010 B12R1.28 OCCNCc1cncc(c1)Cl 207a_100000210304_100000088910 [0,2,0,0,0,0|2,0,0]=4 15011 B12R1.28 OCCNCc1cncc(c1)Cl 2230a_100016997473_100016992070 [0,2,0,0,0,0|2,0,0]=4 15012 B12R1.28 OCCNCc1cncc(c1)Cl 2230a_200020614424_100000211926 [0,2,0,0,0,0|2,0,0]=4 15013 B12R1.28 OCCNCc1cncc(c1)Cl 270004a_100000210304_100000088910 [0,2,0,0,0,0|2,0,0]=4 15014 B12R1.28 OCCNCc1cncc(c1)Cl 34a_100016990907_100016992070 [0,2,0,0,0,0|2,0,0]=4 15015 B12R1.28 OCCNCc1cncc(c1)F 207a_100000210304_100011361476 [0,2,0,0,0,0|2,0,0]=4 15016 B12R1.28 OCCNCc1cncc(c1)F 2230a_100011962886_100000211926 [0,2,0,0,0,0|2,0,0]=4 15017 B12R1.28 OCCNCc1cncc(c1)F 2230a_100016997473_100000725299 [0,2,0,0,0,0|2,0,0]=4 15018 B12R1.28 OCCNCc1cncc(c1)F 270004a_100000210304_100011361476 [0,2,0,0,0,0|2,0,0]=4 15019 B12R1.28 OCCNCc1cncc(c1)F 34a_100011962886_100000211926 [0,2,0,0,0,0|2,0,0]=4 15020 B12R1.28 OCCNCc1cncc(c1)F 34a_100016990907_100000725299 [0,2,0,0,0,0|2,0,0]=4 15021 B12R1.28 OCCNCc1cncc(c1)O 207a_100000210304_100012187055 [0,2,0,0,0,0|2,0,0]=4 15022 B12R1.28 OCCNCc1cncc(c1)O 270004a_100000210304_100012187055 [0,2,0,0,0,0|2,0,0]=4 15023 B12R1.28 OCCOCc1cc(ccn1)Cl 34a_100000748867_100000211926 [0,2,0,0,0,0|1,0,0]=3 15024 B12R1.28 OCCOCc1cccc(c1)Br 34a_100000687537_100000211926 [0,2,0,0,0,0|0,0,0]=2 15025 B12R1.28 OCCOCc1cccc(c1)Br 7a_100000687537_100000211926 [0,2,0,0,0,0|0,0,0]=2 15026 B12R1.28 OCCOCc1cccc(c1)Cl 34a_100000241301_100000211926 [0,2,0,0,0,0|0,0,0]=2 15027 B12R1.28 OCCOCc1cccc(c1)Cl 7a_100000241301_100000211926 [0,2,0,0,0,0|0,0,0]=2 15028 B12R1.28 OCCOCc1cccc(c1)F 34a_100000210976_100000211926 [0,2,0,0,0,0|0,0,0]=2 15029 B12R1.28 OCCOCc1cccc(c1)F 7a_100000210976_100000211926 [0,2,0,0,0,0|0,0,0]=2 15030 B12R1.28 OCCOCc1cccc(c1)I 34a_100011215336_100000211926 [0,2,0,0,0,0|0,0,0]=2 15031 B12R1.28 OCCOCc1cccc(c1)I 7a_100011215336_100000211926 [0,2,0,0,0,0|0,0,0]=2 15032 B12R1.28 OCCOCc1cccc(n1)Br 34a_100000694195_100000211926 [0,2,0,0,0,0|1,0,0]=3 15033 B12R1.28 OCCOCc1cccc(n1)Cl 34a_100011998359_100000211926 [0,2,0,0,0,0|1,0,0]=3 15034 B12R1.28 OCCOCc1cccc(n1)F 34a_100000086748_100000211926 [0,2,0,0,0,0|1,0,0]=3 15035 B12R1.28 OCCOCc1ccnc(c1)Br 34a_100009814636_100000211926 [0,2,0,0,0,0|1,0,0]=3 15036 B12R1.28 OCCOCc1ccnc(c1)Br 7a_100009814636_100000211926 [0,2,0,0,0,0|1,0,0]=3 15037 B12R1.28 OCCOCc1ccnc(c1)Cl 34a_100000748751_100000211926 [0,2,0,0,0,0|1,0,0]=3 15038 B12R1.28 OCCOCc1ccnc(c1)F 34a_100000082451_100000211926 [0,2,0,0,0,0|1,0,0]=3 15039 B12R1.28 OCCOCc1cncc(c1)Br 34a_100011259137_100000211926 [0,2,0,0,0,0|1,0,0]=3 15040 B12R1.28 OCCOCc1cncc(c1)Br 7a_100011259137_100000211926 [0,2,0,0,0,0|1,0,0]=3 15041 B12R1.28 OCCOCc1cncc(c1)Cl 34a_100000092867_100000211926 [0,2,0,0,0,0|1,0,0]=3 15042 B12R1.28 OCCOCc1cncc(c1)Cl 7a_100000092867_100000211926 [0,2,0,0,0,0|1,0,0]=3 15043 B12R1.28 OCCOCc1cncc(c1)F 34a_100011962875_100000211926 [0,2,0,0,0,0|1,0,0]=3 15044 B12R1.28 OCCOCc1cncc(c1)F 7a_100011962875_100000211926 [0,2,0,0,0,0|1,0,0]=3 15045 B12R1.28 OCCSCc1cc(ccn1)Br 62a_100000211926_100010173614 [0,2,0,0,0,0|1,1,0]=4 15046 B12R1.28 OCCSCc1cc(ccn1)Br 62a_100010173614_100000211926 [0,2,0,0,0,0|1,1,0]=4 15047 B12R1.28 OCCSCc1cc(ccn1)Cl 62a_100000211926_100016988179 [0,2,0,0,0,0|1,1,0]=4 15048 B12R1.28 OCCSCc1cc(ccn1)Cl 62a_100016988179_100000211926 [0,2,0,0,0,0|1,1,0]=4 15049 B12R1.28 OCCSCc1cccc(c1)Br 62a_100000211773_100000211926 [0,2,0,0,0,0|0,1,0]=3 15050 B12R1.28 OCCSCc1cccc(c1)Br 62a_100000211926_100000211773 [0,2,0,0,0,0|0,1,0]=3 15051 B12R1.28 OCCSCc1cccc(c1)Cl 62a_100000187163_100000211926 [0,2,0,0,0,0|0,1,0]=3 15052 B12R1.28 OCCSCc1cccc(c1)Cl 62a_100000211926_100000187163 [0,2,0,0,0,0|0,1,0]=3 15053 B12R1.28 OCCSCc1cccc(c1)F 62a_100000211926_100000230114 [0,2,0,0,0,0|0,1,0]=3 15054 B12R1.28 OCCSCc1cccc(c1)F 62a_100000230114_100000211926 [0,2,0,0,0,0|0,1,0]=3 15055 B12R1.28 OCCSCc1cccc(c1)I 62a_100000211926_100011218688 [0,2,0,0,0,0|0,1,0]=3 15056 B12R1.28 OCCSCc1cccc(c1)I 62a_100011218688_100000211926 [0,2,0,0,0,0|0,1,0]=3 15057 B12R1.28 OCCSCc1cccc(c1)O 62a_100000211926_100011660834 [0,2,0,0,0,0|0,1,0]=3 15058 B12R1.28 OCCSCc1cccc(c1)O 62a_100011660834_100000211926 [0,2,0,0,0,0|0,1,0]=3 15059 B12R1.28 OCCSCc1cccc(n1)Br 62a_100000211926_100009889011 [0,2,0,0,0,0|1,1,0]=4 15060 B12R1.28 OCCSCc1cccc(n1)Br 62a_100009889011_100000211926 [0,2,0,0,0,0|1,1,0]=4 15061 B12R1.28 OCCSCc1cccc(n1)Cl 62a_100000086093_100000211926 [0,2,0,0,0,0|1,1,0]=4 15062 B12R1.28 OCCSCc1cccc(n1)Cl 62a_100000211926_100000086093 [0,2,0,0,0,0|1,1,0]=4 15063 B12R1.28 OCCSCc1cccc(n1)F 62a_100000211926_100009819644 [0,2,0,0,0,0|1,1,0]=4 15064 B12R1.28 OCCSCc1cccc(n1)F 62a_100009819644_100000211926 [0,2,0,0,0,0|1,1,0]=4 15065 B12R1.28 OCCSCc1ccnc(c1)Br 62a_100000211926_100010243470 [0,2,0,0,0,0|1,1,0]=4 15066 B12R1.28 OCCSCc1ccnc(c1)Br 62a_100010254460_100000211926 [0,2,0,0,0,0|1,1,0]=4 15067 B12R1.28 OCCSCc1ccnc(c1)Cl 62a_100000211926_100000764220 [0,2,0,0,0,0|1,1,0]=4 15068 B12R1.28 OCCSCc1ccnc(c1)Cl 62a_100000764220_100000211926 [0,2,0,0,0,0|1,1,0]=4 15069 B12R1.28 OCCSCc1cncc(c1)Br 62a_100000211926_100000738771 [0,2,0,0,0,0|1,1,0]=4 15070 B12R1.28 OCCSCc1cncc(c1)Br 62a_100000738771_100000211926 [0,2,0,0,0,0|1,1,0]=4 15071 B12R1.28 OCCSCc1cncc(c1)Cl 62a_100000211926_100016992070 [0,2,0,0,0,0|1,1,0]=4 15072 B12R1.28 OCCSCc1cncc(c1)Cl 62a_100016992070_100000211926 [0,2,0,0,0,0|1,1,0]=4 15073 B12R1.28 OCCSCc1cncc(c1)F 62a_100000211926_100000725299 [0,2,0,0,0,0|1,1,0]=4 15074 B12R1.28 OCCSCc1cncc(c1)F 62a_100000725299_100000211926 [0,2,0,0,0,0|1,1,0]=4 15075 B12R1.28 Oc1cccc(c1)CCNCF 34a_100000747277_100015361967 [0,2,0,0,0,0|2,0,0]=4 15076 B12R1.28 Oc1cccc(c1)CNCCF 2230a_100000743036_100011217306 [0,2,0,0,0,0|2,0,0]=4 15077 B12R1.28 Oc1cccc(c1)CNCCF 34a_100000724931_100011660834 [0,2,0,0,0,0|2,0,0]=4 15078 B12R1.28 Oc1cccc(c1)CNCCF 34a_100000743036_100011217306 [0,2,0,0,0,0|2,0,0]=4 15079 B12R1.28 Oc1cccc(c1)COCCBr 34a_100000211926_100011660834 [0,2,0,0,0,0|1,0,0]=3 15080 B12R1.28 Oc1cccc(c1)CSCCF 62a_100011217306_100011660834 [0,2,0,0,0,0|1,1,0]=4 15081 B12R1.28 Oc1cccc(c1)CSCCF 62a_100011660834_100011217306 [0,2,0,0,0,0|1,1,0]=4 15082 B12R1.28 Oc1cccc(c1)NCCCF 34a_100000210217_100011934791 [0,2,0,0,0,0|2,0,0]=4 15083 B12R1.28 Oc1cccc(c1)SCCCF 62a_100011934791_100000211634 [0,2,0,0,0,0|1,1,0]=4 15084 B12R1.28 [13CH3]NCCCc1cccc(c1)Br 2230a_100000753791_200025704644 [0,2,0,0,0,0|2,0,0]=4 15085 B12R1.28 [13CH3]NCCCc1cccc(c1)Br 34a_100000753791_200025704644 [0,2,0,0,0,0|2,0,0]=4 15086 B12R1.28 [13CH3]NCCCc1cccc(c1)Cl 2230a_100000704586_200025704644 [0,2,0,0,0,0|2,0,0]=4 15087 B12R1.28 [13CH3]NCCCc1cccc(c1)Cl 34a_100000704586_200025704644 [0,2,0,0,0,0|2,0,0]=4 15088 B12R1.28 [13CH3]NCCCc1cccc(c1)F 2230a_100000754185_200025704644 [0,2,0,0,0,0|2,0,0]=4 15089 B12R1.28 [13CH3]NCCCc1cccc(c1)F 34a_100000754185_200025704644 [0,2,0,0,0,0|2,0,0]=4 15090 B12R1.28 [13CH3]NCCOc1cccc(c1)Br 2230a_100000743521_200025704644 [0,2,0,0,0,0|1,0,0]=3 15091 B12R1.28 [13CH3]NCCOc1cccc(c1)Br 34a_100000743521_200025704644 [0,2,0,0,0,0|1,0,0]=3 15092 B12R1.28 [13CH3]NCCOc1cccc(c1)Cl 2230a_100000740232_200025704644 [0,2,0,0,0,0|1,0,0]=3 15093 B12R1.28 [13CH3]NCCOc1cccc(c1)Cl 34a_100000740232_200025704644 [0,2,0,0,0,0|1,0,0]=3 15094 B12R1.28 [13CH3]NCCOc1cccc(c1)F 2230a_100000738948_200025704644 [0,2,0,0,0,0|1,0,0]=3 15095 B12R1.28 [13CH3]NCCOc1cccc(c1)F 34a_100000738948_200025704644 [0,2,0,0,0,0|1,0,0]=3 15096 B12R1.28 [13CH3]OCC#Cc1cccc(c1)Br 34a_100009814051_200025704644 [0,2,0,0,0,0|1,0,1]=4 15097 B12R1.28 [13CH3]OCC#Cc1cccc(c1)Br 7a_100009814051_200025704644 [0,2,0,0,0,0|1,0,1]=4 15098 B12R1.28 [13CH3]OCC#Cc1cccc(c1)Cl 34a_100011218842_200025704644 [0,2,0,0,0,0|1,0,1]=4 15099 B12R1.28 [13CH3]OCC#Cc1cccc(c1)Cl 7a_100011218842_200025704644 [0,2,0,0,0,0|1,0,1]=4 15100 B12R1.28 [13CH3]OCC#Cc1cccc(c1)F 34a_100011219115_200025704644 [0,2,0,0,0,0|1,0,1]=4 15101 B12R1.28 [13CH3]OCC#Cc1cccc(c1)F 7a_100011219115_200025704644 [0,2,0,0,0,0|1,0,1]=4 15102 B12R1.28 [13CH3]OCCCc1cccc(c1)Br 34a_100011709248_200025704644 [0,2,0,0,0,0|1,0,0]=3 15103 B12R1.28 [13CH3]OCCCc1cccc(c1)Br 7a_100011709248_200025704644 [0,2,0,0,0,0|1,0,0]=3 15104 B12R1.28 [13CH3]OCCCc1cccc(c1)Cl 34a_100011709246_200025704644 [0,2,0,0,0,0|1,0,0]=3 15105 B12R1.28 [13CH3]OCCCc1cccc(c1)Cl 7a_100011709246_200025704644 [0,2,0,0,0,0|1,0,0]=3 15106 B12R1.28 [13CH3]OCCCc1cccc(c1)N 34a_200000698965_200025704644 [0,2,0,0,0,0|1,0,0]=3 15107 B12R1.28 [13CH3]OCCCc1cccc(c1)N 7a_200000698965_200025704644 [0,2,0,0,0,0|1,0,0]=3 15108 B12R1.28 [13CH3]OCCNc1cccc(n1)F 34a_200011432718_200025704644 [0,2,0,0,0,0|2,0,0]=4 15109 B12R1.28 [13CH3]OCCOc1cccc(c1)Br 34a_100000757546_200025704644 [0,2,0,0,0,0|0,0,0]=2 15110 B12R1.28 [13CH3]OCCOc1cccc(c1)Br 7a_100000757546_200025704644 [0,2,0,0,0,0|0,0,0]=2 15111 B12R1.28 [13CH3]OCCOc1cccc(c1)Cl 34a_100000230539_200025704644 [0,2,0,0,0,0|0,0,0]=2 15112 B12R1.28 [13CH3]OCCOc1cccc(c1)Cl 7a_100000230539_200025704644 [0,2,0,0,0,0|0,0,0]=2 15113 B12R1.28 [13CH3]OCCOc1cccc(c1)N 34a_100011232151_200025704644 [0,2,0,0,0,0|0,0,0]=2 15114 B12R1.28 [13CH3]OCCSc1cccc(c1)Br 7a_200011756134_200025704644 [0,2,0,0,0,0|0,1,0]=3 15115 B12R1.28 [13CH3]OCCSc1cccc(c1)Cl 34a_200011721761_200025704644 [0,2,0,0,0,0|0,1,0]=3 15116 B12R1.28 [13CH3]OCCSc1cccc(c1)Cl 7a_200011721761_200025704644 [0,2,0,0,0,0|0,1,0]=3 15117 B12R1.28 [13CH3]OCCSc1cccc(c1)F 34a_200011996949_200025704644 [0,2,0,0,0,0|0,1,0]=3 15118 B12R1.28 [13CH3]OCCSc1cccc(c1)F 7a_200011996949_200025704644 [0,2,0,0,0,0|0,1,0]=3 15119 B12R1.28 [13CH3]SCCCc1cccc(c1)Br 62a_100011713683_200025704644 [0,2,0,0,0,0|1,1,0]=4 15120 B12R1.28 [13CH3]SCCCc1cccc(c1)Br 62a_200025704644_100011713683 [0,2,0,0,0,0|1,1,0]=4 15121 B12R1.28 [13CH3]SCCCc1cccc(c1)F 62a_200000698031_200025704644 [0,2,0,0,0,0|1,1,0]=4 15122 B12R1.28 [13CH3]SCCCc1cccc(c1)F 62a_200025704644_200000698031 [0,2,0,0,0,0|1,1,0]=4 15123 B12R1.28 [13CH3]SCCOc1cccc(c1)Br 62a_100000183150_200025704644 [0,2,0,0,0,0|0,1,0]=3 15124 B12R1.28 [13CH3]SCCOc1cccc(c1)Br 62a_200025704644_100000183150 [0,2,0,0,0,0|0,1,0]=3 15125 B12R1.28 [13CH3]SCCOc1cccc(c1)Cl 62a_100000181161_200025704644 [0,2,0,0,0,0|0,1,0]=3 15126 B12R1.28 [13CH3]SCCOc1cccc(c1)Cl 62a_200025704644_100000181161 [0,2,0,0,0,0|0,1,0]=3 15127 B12R1.28 [13CH3]SCCOc1cccc(c1)F 62a_100000739188_200025704644 [0,2,0,0,0,0|0,1,0]=3 15128 B12R1.28 [13CH3]SCCOc1cccc(c1)F 62a_200025704644_100000739188 [0,2,0,0,0,0|0,1,0]=3 15129 B12R1.28 [O-][n+]1cccc(c1)COCCF 34a_100000037817_100011217306 [0,2,0,0,0,0|2,0,0]=4 15130 B12R1.28 [O-][n+]1cccc(c1)COCCF 7a_100000037817_100011217306 [0,2,0,0,0,0|2,0,0]=4 15131 B12R1.28 [O-][n+]1cccc(c1)COCCO 34a_100000037817_100000211926 [0,2,0,0,0,0|1,0,0]=3 15132 B12R1.28 [O-][n+]1cccc(c1)COCCO 7a_100000037817_100000211926 [0,2,0,0,0,0|1,0,0]=3 15133 B12R1.28 [O-][n+]1cccc(c1)OCCCF 34a_100000039713_100011934791 [0,2,0,0,0,0|2,0,0]=4 15134 B12R1.28 [O-][n+]1cccc(c1)OCCCF 7a_100000039713_100011934791 [0,2,0,0,0,0|2,0,0]=4 15135 B12R1.28 [O-][n+]1cccc(c1)OCCCO 34a_100000039713_100000230001 [0,2,0,0,0,0|1,0,0]=3 15136 B12R1.28 [O-][n+]1cccc(c1)OCCCO 7a_100000039713_100011215043 [0,2,0,0,0,0|1,0,0]=3 15137 B12R1.28 [O-][n+]1cccc(c1)SCCCO 62a_100011215043_100009815978 [0,2,0,0,0,0|1,1,0]=4 15138 B12R1.50 C#CC(C)Oc1cccc(c1)Br 34a_100000210342_200000035995 [0,2,0,0,0,0|1,0,1]=4 15139 B12R1.50 C#CC(C)Oc1cccc(c1)C 34a_100000210337_200000035995 [0,2,0,0,0,0|1,0,1]=4 15140 B12R1.50 C#CC(C)Oc1cccc(c1)Cl 34a_100000210295_200000035995 [0,2,0,0,0,0|1,0,1]=4 15141 B12R1.50 C#CC(C)Oc1cccc(c1)F 34a_100000210426_200000035995 [0,2,0,0,0,0|1,0,1]=4 15142 B12R1.50 C#CC(C)Oc1cccc(c1)I 34a_100000211634_200000035995 [0,2,0,0,0,0|1,0,1]=4 15143 B12R1.50 C#CC(C)Oc1cccc(c1)N 34a_100000210217_200000035995 [0,2,0,0,0,0|1,0,1]=4 15144 B12R1.50 CC(C#N)Oc1cccc(c1)Br 7a_100000210342_100000703298 [0,2,0,0,0,0|1,0,1]=4 15145 B12R1.50 CC(C#N)Oc1cccc(c1)Cl 7a_100000210295_100000703298 [0,2,0,0,0,0|1,0,1]=4 15146 B12R1.50 CC(C#N)Oc1cccc(c1)F 7a_100000210426_100000703298 [0,2,0,0,0,0|1,0,1]=4 15147 B12R1.50 CC(C#N)Oc1cccc(c1)I 7a_100000211634_100000703298 [0,2,0,0,0,0|1,0,1]=4 15148 B12R1.50 CC(CO)Nc1cccc(c1)Br 34a_100000210019_100012180447 [0,2,0,0,0,0|1,0,0]=3 15149 B12R1.50 CC(CO)Nc1cccc(c1)Cl 34a_100000185859_100012180447 [0,2,0,0,0,0|1,0,0]=3 15150 B12R1.50 CC(CO)Nc1cccc(c1)F 34a_100000210047_100012180447 [0,2,0,0,0,0|1,0,0]=3 15151 B12R1.50 CC(CO)Nc1cccc(c1)I 34a_100000211102_100012180447 [0,2,0,0,0,0|1,0,0]=3 15152 B12R1.50 CC(CO)Nc1cccc(c1)O 34a_100000210217_100012180447 [0,2,0,0,0,0|1,0,0]=3 15153 B12R1.50 CC(CO)Oc1cc[nH]c(=O)c1 34a_100000032262_100012180447 [0,2,0,0,0,0|1,0,0]=3 15154 B12R1.50 CC(CO)Oc1ccc[n+](c1)[O-] 34a_100000039713_100012180447 [0,2,0,0,0,0|1,0,0]=3 15155 B12R1.50 CC(CO)Oc1ccc[n+](c1)[O-] 7a_100000039713_100012180447 [0,2,0,0,0,0|1,0,0]=3 15156 B12R1.50 CC(CO)Oc1cccc(=O)[nH]1 34a_100000033347_100012180447 [0,2,0,0,0,0|1,0,0]=3 15157 B12R1.50 CC(CO)Oc1cccc(c1)Br 34a_100000210342_100012180447 [0,2,0,0,0,0|0,0,0]=2 15158 B12R1.50 CC(CO)Oc1cccc(c1)Br 7a_100000210342_100012180447 [0,2,0,0,0,0|0,0,0]=2 15159 B12R1.50 CC(CO)Oc1cccc(c1)Cl 34a_100000210295_100012180447 [0,2,0,0,0,0|0,0,0]=2 15160 B12R1.50 CC(CO)Oc1cccc(c1)Cl 7a_100000210295_100012180447 [0,2,0,0,0,0|0,0,0]=2 15161 B12R1.50 CC(CO)Oc1cccc(c1)F 34a_100000210426_100012180447 [0,2,0,0,0,0|0,0,0]=2 15162 B12R1.50 CC(CO)Oc1cccc(c1)F 7a_100000210426_100012180447 [0,2,0,0,0,0|0,0,0]=2 15163 B12R1.50 CC(CO)Oc1cccc(c1)I 34a_100000211634_100012180447 [0,2,0,0,0,0|0,0,0]=2 15164 B12R1.50 CC(CO)Oc1cccc(c1)I 7a_100000211634_100012180447 [0,2,0,0,0,0|0,0,0]=2 15165 B12R1.50 CC(CO)Oc1cccc(c1)N 34a_100000210217_100012180447 [0,2,0,0,0,0|0,0,0]=2 15166 B12R1.50 CC(CO)Oc1cccc(n1)F 34a_100011432558_100012180447 [0,2,0,0,0,0|1,0,0]=3 15167 B12R1.50 CC(CO)Oc1ccnc(c1)Cl 34a_100000762945_100012180447 [0,2,0,0,0,0|1,0,0]=3 15168 B12R1.50 CC(CO)Oc1ccnc(c1)F 34a_100000732698_100012180447 [0,2,0,0,0,0|1,0,0]=3 15169 B12R1.50 CC(CO)Oc1ccnc(c1)N 34a_100011834064_100012180447 [0,2,0,0,0,0|1,0,0]=3 15170 B12R1.50 CC(CO)Oc1cncc(c1)Br 34a_100000754920_100012180447 [0,2,0,0,0,0|1,0,0]=3 15171 B12R1.50 CC(CO)Oc1cncc(c1)Br 7a_100000754920_100012180447 [0,2,0,0,0,0|1,0,0]=3 15172 B12R1.50 CC(CO)Oc1cncc(c1)Cl 7a_100000032511_100012180447 [0,2,0,0,0,0|1,0,0]=3 15173 B12R1.50 CC(CO)Oc1cncc(c1)F 34a_100011830296_100012180447 [0,2,0,0,0,0|1,0,0]=3 15174 B12R1.50 CC(CO)Oc1cncc(c1)F 7a_100011830296_100012180447 [0,2,0,0,0,0|1,0,0]=3 15175 B12R1.50 CC(CO)Oc1cncc(c1)N 34a_100011997051_100012180447 [0,2,0,0,0,0|1,0,0]=3 15176 B12R1.50 CC(CO)Oc1cnnc(c1)Cl 34a_200010734679_100012180447 [0,2,0,0,0,0|2,0,0]=4 15177 B12R1.50 CC(CO)Oc1cnnc(c1)N 34a_200015193112_100012180447 [0,2,0,0,0,0|2,0,0]=4 15178 B12R1.50 CC(CO)Sc1cc(ccn1)Cl 62a_100012180447_100010167805 [0,2,0,0,0,0|1,1,0]=4 15179 B12R1.50 CC(CO)Sc1cc(ccn1)F 62a_100012180447_100000764206 [0,2,0,0,0,0|1,1,0]=4 15180 B12R1.50 CC(CO)Sc1cc(ccn1)N 62a_100012180447_100009814236 [0,2,0,0,0,0|1,1,0]=4 15181 B12R1.50 CC(CO)Sc1cc(ccn1)O 62a_100012180447_100000762945 [0,2,0,0,0,0|1,1,0]=4 15182 B12R1.50 CC(CO)Sc1cc[nH]c(=O)c1 62a_100012180447_100009816521 [0,2,0,0,0,0|1,1,0]=4 15183 B12R1.50 CC(CO)Sc1ccc[n+](c1)C 62a_100012180447_100009996589 [0,2,0,0,0,0|1,1,0]=4 15184 B12R1.50 CC(CO)Sc1ccc[n+](c1)[O-] 62a_100012180447_100009815978 [0,2,0,0,0,0|1,1,0]=4 15185 B12R1.50 CC(CO)Sc1cccc(=O)[nH]1 62a_100012180447_100000752884 [0,2,0,0,0,0|1,1,0]=4 15186 B12R1.50 CC(CO)Sc1cccc(c1)Br 62a_100012180447_100000691529 [0,2,0,0,0,0|0,1,0]=3 15187 B12R1.50 CC(CO)Sc1cccc(c1)Cl 62a_100012180447_100000699651 [0,2,0,0,0,0|0,1,0]=3 15188 B12R1.50 CC(CO)Sc1cccc(c1)F 62a_100012180447_100000685547 [0,2,0,0,0,0|0,1,0]=3 15189 B12R1.50 CC(CO)Sc1cccc(c1)N 62a_100012180447_100000210019 [0,2,0,0,0,0|0,1,0]=3 15190 B12R1.50 CC(CO)Sc1cccc(c1)O 62a_100012180447_100000211634 [0,2,0,0,0,0|0,1,0]=3 15191 B12R1.50 CC(CO)Sc1cccc(c1)[S] 62a_100012180447_114929384022 [0,2,0,0,0,0|0,1,0]=3 15192 B12R1.50 CC(CO)Sc1cccc(n1)Br 62a_100012180447_100000684672 [0,2,0,0,0,0|1,1,0]=4 15193 B12R1.50 CC(CO)Sc1cccc(n1)Cl 62a_100012180447_100000051397 [0,2,0,0,0,0|1,1,0]=4 15194 B12R1.50 CC(CO)Sc1cccc(n1)F 62a_100012180447_100009815982 [0,2,0,0,0,0|1,1,0]=4 15195 B12R1.50 CC(CO)Sc1cccc(n1)N 62a_100012180447_100000740741 [0,2,0,0,0,0|1,1,0]=4 15196 B12R1.50 CC(CO)Sc1ccnc(c1)Br 62a_100012180447_100009814637 [0,2,0,0,0,0|1,1,0]=4 15197 B12R1.50 CC(CO)Sc1ccnc(c1)Cl 62a_100012180447_100000035001 [0,2,0,0,0,0|1,1,0]=4 15198 B12R1.50 CC(CO)Sc1ccnc(c1)F 62a_100012180447_100009816116 [0,2,0,0,0,0|1,1,0]=4 15199 B12R1.50 CC(CO)Sc1ccnc(c1)N 62a_100012180447_100000049665 [0,2,0,0,0,0|1,1,0]=4 15200 B12R1.50 CC(CO)Sc1cncc(c1)Br 62a_100012180447_100000728054 [0,2,0,0,0,0|1,1,0]=4 15201 B12R1.50 CC(CO)Sc1cncc(c1)Cl 62a_100012180447_100000049639 [0,2,0,0,0,0|1,1,0]=4 15202 B12R1.50 CC(CO)Sc1cncc(c1)F 62a_100012180447_100000744099 [0,2,0,0,0,0|1,1,0]=4 15203 B12R1.50 CC(CO)Sc1cncc(c1)N 62a_100012180447_100000687067 [0,2,0,0,0,0|1,1,0]=4 15204 B12R1.50 CC(CO)Sc1cncc(c1)O 62a_100012180447_100000754920 [0,2,0,0,0,0|1,1,0]=4 15205 B12R1.50 CCC(C)Nc1cccc(c1)Br 34a_100000210019_100011215416 [0,2,0,0,0,0|2,0,0]=4 15206 B12R1.50 CCC(C)Nc1cccc(c1)C 2230a_100000188690_100000758301 [0,2,0,0,0,0|2,0,0]=4 15207 B12R1.50 CCC(C)Nc1cccc(c1)C 34a_100000188690_100011215416 [0,2,0,0,0,0|2,0,0]=4 15208 B12R1.50 CCC(C)Nc1cccc(c1)Cl 34a_100000185859_100011215416 [0,2,0,0,0,0|2,0,0]=4 15209 B12R1.50 CCC(C)Nc1cccc(c1)F 34a_100000210047_100011215416 [0,2,0,0,0,0|2,0,0]=4 15210 B12R1.50 CCC(C)Nc1cccc(c1)I 34a_100000211102_100011215416 [0,2,0,0,0,0|2,0,0]=4 15211 B12R1.50 CCC(C)Nc1cccc(c1)O 34a_100000210217_100011215416 [0,2,0,0,0,0|2,0,0]=4 15212 B12R1.50 CCC(C)Oc1cc[nH]c(=O)c1 34a_100000032262_100011215416 [0,2,0,0,0,0|2,0,0]=4 15213 B12R1.50 CCC(C)Oc1ccc[n+](c1)[O-] 34a_100000039713_100011215416 [0,2,0,0,0,0|2,0,0]=4 15214 B12R1.50 CCC(C)Oc1ccc[n+](c1)[O-] 7a_100000039713_100000758301 [0,2,0,0,0,0|2,0,0]=4 15215 B12R1.50 CCC(C)Oc1cccc(=O)[nH]1 34a_100000033347_100011215416 [0,2,0,0,0,0|2,0,0]=4 15216 B12R1.50 CCC(C)Oc1cccc(c1)Br 34a_100000210342_100011215416 [0,2,0,0,0,0|1,0,0]=3 15217 B12R1.50 CCC(C)Oc1cccc(c1)Br 7a_100000210342_100000758301 [0,2,0,0,0,0|1,0,0]=3 15218 B12R1.50 CCC(C)Oc1cccc(c1)C 34a_100000210337_100011215416 [0,2,0,0,0,0|1,0,0]=3 15219 B12R1.50 CCC(C)Oc1cccc(c1)C 7a_100000210337_100000758301 [0,2,0,0,0,0|1,0,0]=3 15220 B12R1.50 CCC(C)Oc1cccc(c1)Cl 34a_100000210295_100011215416 [0,2,0,0,0,0|1,0,0]=3 15221 B12R1.50 CCC(C)Oc1cccc(c1)Cl 7a_100000210295_100000758301 [0,2,0,0,0,0|1,0,0]=3 15222 B12R1.50 CCC(C)Oc1cccc(c1)F 34a_100000210426_100011215416 [0,2,0,0,0,0|1,0,0]=3 15223 B12R1.50 CCC(C)Oc1cccc(c1)F 7a_100000210426_100000758301 [0,2,0,0,0,0|1,0,0]=3 15224 B12R1.50 CCC(C)Oc1cccc(c1)I 34a_100000211634_100011215416 [0,2,0,0,0,0|1,0,0]=3 15225 B12R1.50 CCC(C)Oc1cccc(c1)I 7a_100000211634_100000758301 [0,2,0,0,0,0|1,0,0]=3 15226 B12R1.50 CCC(C)Oc1cccc(c1)N 34a_100000210217_100011215416 [0,2,0,0,0,0|1,0,0]=3 15227 B12R1.50 CCC(C)Oc1cccc(c1)O 271570a_203496583355_200011236628 [0,2,0,0,0,0|1,0,0]=3 15228 B12R1.50 CCC(C)Oc1cccc(n1)F 34a_100011432558_100011215416 [0,2,0,0,0,0|2,0,0]=4 15229 B12R1.50 CCC(C)Oc1ccnc(c1)C 34a_100000688365_100011215416 [0,2,0,0,0,0|2,0,0]=4 15230 B12R1.50 CCC(C)Oc1ccnc(c1)Cl 34a_100000762945_100011215416 [0,2,0,0,0,0|2,0,0]=4 15231 B12R1.50 CCC(C)Oc1ccnc(c1)F 34a_100000732698_100011215416 [0,2,0,0,0,0|2,0,0]=4 15232 B12R1.50 CCC(C)Oc1ccnc(c1)N 34a_100011834064_100011215416 [0,2,0,0,0,0|2,0,0]=4 15233 B12R1.50 CCC(C)Oc1cncc(c1)Br 34a_100000754920_100011215416 [0,2,0,0,0,0|2,0,0]=4 15234 B12R1.50 CCC(C)Oc1cncc(c1)Br 7a_100000754920_100000758301 [0,2,0,0,0,0|2,0,0]=4 15235 B12R1.50 CCC(C)Oc1cncc(c1)C 34a_100011830280_100011215416 [0,2,0,0,0,0|2,0,0]=4 15236 B12R1.50 CCC(C)Oc1cncc(c1)C 7a_100011830280_100000758301 [0,2,0,0,0,0|2,0,0]=4 15237 B12R1.50 CCC(C)Oc1cncc(c1)Cl 7a_100000032511_100000758301 [0,2,0,0,0,0|2,0,0]=4 15238 B12R1.50 CCC(C)Oc1cncc(c1)F 34a_100011830296_100011215416 [0,2,0,0,0,0|2,0,0]=4 15239 B12R1.50 CCC(C)Oc1cncc(c1)F 7a_100011830296_100000758301 [0,2,0,0,0,0|2,0,0]=4 15240 B12R1.50 CCC(C)Oc1cncc(c1)N 34a_100011997051_100011215416 [0,2,0,0,0,0|2,0,0]=4 15241 B12R1.50 CCC(C)Sc1cccc(c1)Br 62a_100000691529_100000758301 [0,2,0,0,0,0|1,1,0]=4 15242 B12R1.50 CCC(C)Sc1cccc(c1)Br 62a_100000758301_100000691529 [0,2,0,0,0,0|1,1,0]=4 15243 B12R1.50 CCC(C)Sc1cccc(c1)C 62a_100000758301_100011215228 [0,2,0,0,0,0|1,1,0]=4 15244 B12R1.50 CCC(C)Sc1cccc(c1)C 62a_100011215228_100000758301 [0,2,0,0,0,0|1,1,0]=4 15245 B12R1.50 CCC(C)Sc1cccc(c1)Cl 62a_100000699651_100000758301 [0,2,0,0,0,0|1,1,0]=4 15246 B12R1.50 CCC(C)Sc1cccc(c1)Cl 62a_100000758301_100000699651 [0,2,0,0,0,0|1,1,0]=4 15247 B12R1.50 CCC(C)Sc1cccc(c1)F 62a_100000685547_100000758301 [0,2,0,0,0,0|1,1,0]=4 15248 B12R1.50 CCC(C)Sc1cccc(c1)F 62a_100000758301_100000685547 [0,2,0,0,0,0|1,1,0]=4 15249 B12R1.50 CCC(C)Sc1cccc(c1)N 62a_100000210019_100000758301 [0,2,0,0,0,0|1,1,0]=4 15250 B12R1.50 CCC(C)Sc1cccc(c1)N 62a_100000758301_100000210019 [0,2,0,0,0,0|1,1,0]=4 15251 B12R1.50 CCC(C)Sc1cccc(c1)O 62a_100000758301_100000211634 [0,2,0,0,0,0|1,1,0]=4 15252 B12R1.50 CCC(C)Sc1cccc(c1)[S] 62a_100000758301_114929384022 [0,2,0,0,0,0|1,1,0]=4 15253 B12R1.50 CCC(C)Sc1cccc(c1)[S] 62a_114929384022_100000758301 [0,2,0,0,0,0|1,1,0]=4 15254 B12R1.50 C[C@H](CO)Nc1cc(ccn1)F 27a_100000737577_100000764206 [0,2,0,0,0,0|2,0,0]=4 15255 B12R1.50 C[C@H](CO)Nc1cc[nH]c(=O)c1 27a_100000737577_100000061649 [0,2,0,0,0,0|2,0,0]=4 15256 B12R1.50 C[C@H](CO)Nc1cccc(n1)F 27a_100000737577_100009815982 [0,2,0,0,0,0|2,0,0]=4 15257 B12R1.50 C[C@H](CO)Nc1ccnc(c1)F 27a_100000737577_100009816116 [0,2,0,0,0,0|2,0,0]=4 15258 B12R1.50 C[C@H](CO)Sc1cc(=O)cc[nH]1 62a_100009817434_100016084084 [0,2,0,0,0,0|1,1,0]=4 15259 B12R1.50 C[C@H](CO)Sc1cc(ccn1)Cl 62a_100010167805_100016084084 [0,2,0,0,0,0|1,1,0]=4 15260 B12R1.50 C[C@H](CO)Sc1cc(ccn1)Cl 62a_100016084084_100010167805 [0,2,0,0,0,0|1,1,0]=4 15261 B12R1.50 C[C@H](CO)Sc1cc(ccn1)F 62a_100000764206_100016084084 [0,2,0,0,0,0|1,1,0]=4 15262 B12R1.50 C[C@H](CO)Sc1cc(ccn1)F 62a_100016084084_100000764206 [0,2,0,0,0,0|1,1,0]=4 15263 B12R1.50 C[C@H](CO)Sc1cc(ccn1)N 62a_100009814236_100016084084 [0,2,0,0,0,0|1,1,0]=4 15264 B12R1.50 C[C@H](CO)Sc1cc(ccn1)N 62a_100016084084_100009814236 [0,2,0,0,0,0|1,1,0]=4 15265 B12R1.50 C[C@H](CO)Sc1cc(ccn1)O 62a_100016084084_100000762945 [0,2,0,0,0,0|1,1,0]=4 15266 B12R1.50 C[C@H](CO)Sc1cc[nH]c(=O)c1 62a_100009816521_100016084084 [0,2,0,0,0,0|1,1,0]=4 15267 B12R1.50 C[C@H](CO)Sc1cc[nH]c(=O)c1 62a_100016084084_100009816521 [0,2,0,0,0,0|1,1,0]=4 15268 B12R1.50 C[C@H](CO)Sc1ccc[n+](c1)C 62a_100009996589_100016084084 [0,2,0,0,0,0|1,1,0]=4 15269 B12R1.50 C[C@H](CO)Sc1ccc[n+](c1)C 62a_100016084084_100009996589 [0,2,0,0,0,0|1,1,0]=4 15270 B12R1.50 C[C@H](CO)Sc1ccc[n+](c1)[O-] 62a_100016084084_100009815978 [0,2,0,0,0,0|1,1,0]=4 15271 B12R1.50 C[C@H](CO)Sc1cccc(=O)[nH]1 62a_100016084084_100000752884 [0,2,0,0,0,0|1,1,0]=4 15272 B12R1.50 C[C@H](CO)Sc1cccc(c1)Br 62a_100000691529_100016084084 [0,2,0,0,0,0|0,1,0]=3 15273 B12R1.50 C[C@H](CO)Sc1cccc(c1)Br 62a_100016084084_100000691529 [0,2,0,0,0,0|0,1,0]=3 15274 B12R1.50 C[C@H](CO)Sc1cccc(c1)Cl 62a_100000699651_100016084084 [0,2,0,0,0,0|0,1,0]=3 15275 B12R1.50 C[C@H](CO)Sc1cccc(c1)Cl 62a_100016084084_100000699651 [0,2,0,0,0,0|0,1,0]=3 15276 B12R1.50 C[C@H](CO)Sc1cccc(c1)F 62a_100000685547_100016084084 [0,2,0,0,0,0|0,1,0]=3 15277 B12R1.50 C[C@H](CO)Sc1cccc(c1)F 62a_100016084084_100000685547 [0,2,0,0,0,0|0,1,0]=3 15278 B12R1.50 C[C@H](CO)Sc1cccc(c1)N 62a_100000210019_100016084084 [0,2,0,0,0,0|0,1,0]=3 15279 B12R1.50 C[C@H](CO)Sc1cccc(c1)N 62a_100016084084_100000210019 [0,2,0,0,0,0|0,1,0]=3 15280 B12R1.50 C[C@H](CO)Sc1cccc(c1)O 62a_100016084084_100000211634 [0,2,0,0,0,0|0,1,0]=3 15281 B12R1.50 C[C@H](CO)Sc1cccc(c1)[S] 62a_100016084084_114929384022 [0,2,0,0,0,0|0,1,0]=3 15282 B12R1.50 C[C@H](CO)Sc1cccc(c1)[S] 62a_114929384022_100016084084 [0,2,0,0,0,0|0,1,0]=3 15283 B12R1.50 C[C@H](CO)Sc1cccc(n1)Br 62a_100000684672_100016084084 [0,2,0,0,0,0|1,1,0]=4 15284 B12R1.50 C[C@H](CO)Sc1cccc(n1)Br 62a_100016084084_100000684672 [0,2,0,0,0,0|1,1,0]=4 15285 B12R1.50 C[C@H](CO)Sc1cccc(n1)Cl 62a_100000051397_100016084084 [0,2,0,0,0,0|1,1,0]=4 15286 B12R1.50 C[C@H](CO)Sc1cccc(n1)Cl 62a_100016084084_100000051397 [0,2,0,0,0,0|1,1,0]=4 15287 B12R1.50 C[C@H](CO)Sc1cccc(n1)F 62a_100009815982_100016084084 [0,2,0,0,0,0|1,1,0]=4 15288 B12R1.50 C[C@H](CO)Sc1cccc(n1)F 62a_100016084084_100009815982 [0,2,0,0,0,0|1,1,0]=4 15289 B12R1.50 C[C@H](CO)Sc1cccc(n1)N 62a_100000740741_100016084084 [0,2,0,0,0,0|1,1,0]=4 15290 B12R1.50 C[C@H](CO)Sc1cccc(n1)N 62a_100016084084_100000740741 [0,2,0,0,0,0|1,1,0]=4 15291 B12R1.50 C[C@H](CO)Sc1ccnc(c1)Br 62a_100009814637_100016084084 [0,2,0,0,0,0|1,1,0]=4 15292 B12R1.50 C[C@H](CO)Sc1ccnc(c1)Br 62a_100016084084_100009814637 [0,2,0,0,0,0|1,1,0]=4 15293 B12R1.50 C[C@H](CO)Sc1ccnc(c1)Cl 62a_100000035001_100016084084 [0,2,0,0,0,0|1,1,0]=4 15294 B12R1.50 C[C@H](CO)Sc1ccnc(c1)Cl 62a_100016084084_100000035001 [0,2,0,0,0,0|1,1,0]=4 15295 B12R1.50 C[C@H](CO)Sc1ccnc(c1)F 62a_100009816116_100016084084 [0,2,0,0,0,0|1,1,0]=4 15296 B12R1.50 C[C@H](CO)Sc1ccnc(c1)F 62a_100016084084_100009816116 [0,2,0,0,0,0|1,1,0]=4 15297 B12R1.50 C[C@H](CO)Sc1ccnc(c1)N 62a_100000049665_100016084084 [0,2,0,0,0,0|1,1,0]=4 15298 B12R1.50 C[C@H](CO)Sc1ccnc(c1)N 62a_100016084084_100000049665 [0,2,0,0,0,0|1,1,0]=4 15299 B12R1.50 C[C@H](CO)Sc1cncc(c1)Br 62a_100000728054_100016084084 [0,2,0,0,0,0|1,1,0]=4 15300 B12R1.50 C[C@H](CO)Sc1cncc(c1)Br 62a_100016084084_100000728054 [0,2,0,0,0,0|1,1,0]=4 15301 B12R1.50 C[C@H](CO)Sc1cncc(c1)Cl 62a_100000049639_100016084084 [0,2,0,0,0,0|1,1,0]=4 15302 B12R1.50 C[C@H](CO)Sc1cncc(c1)Cl 62a_100016084084_100000049639 [0,2,0,0,0,0|1,1,0]=4 15303 B12R1.50 C[C@H](CO)Sc1cncc(c1)F 62a_100000744099_100016084084 [0,2,0,0,0,0|1,1,0]=4 15304 B12R1.50 C[C@H](CO)Sc1cncc(c1)F 62a_100016084084_100000744099 [0,2,0,0,0,0|1,1,0]=4 15305 B12R1.50 C[C@H](CO)Sc1cncc(c1)N 62a_100000687067_100016084084 [0,2,0,0,0,0|1,1,0]=4 15306 B12R1.50 C[C@H](CO)Sc1cncc(c1)N 62a_100016084084_100000687067 [0,2,0,0,0,0|1,1,0]=4 15307 B12R1.50 C[C@H](CO)Sc1cncc(c1)O 62a_100000754920_100016084084 [0,2,0,0,0,0|1,1,0]=4 15308 B12R1.50 C[C@H](CO)Sc1cncc(c1)O 62a_100016084084_100000754920 [0,2,0,0,0,0|1,1,0]=4 15309 B12R1.50 Cc1cc(ccn1)N[C@H](C)CO 27a_100000737577_100000758586 [0,2,0,0,0,0|2,0,0]=4 15310 B12R1.50 Cc1cc(ccn1)OC(C)CO 34a_100000688365_100012180447 [0,2,0,0,0,0|1,0,0]=3 15311 B12R1.50 Cc1cc(ccn1)SC(C)CO 62a_100012180447_100000758586 [0,2,0,0,0,0|1,1,0]=4 15312 B12R1.50 Cc1cc(ccn1)S[C@H](C)CO 62a_100000758586_100016084084 [0,2,0,0,0,0|1,1,0]=4 15313 B12R1.50 Cc1cc(ccn1)S[C@H](C)CO 62a_100016084084_100000758586 [0,2,0,0,0,0|1,1,0]=4 15314 B12R1.50 Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100000211840 [0,2,0,0,0,0|1,0,1]=4 15315 B12R1.50 Cc1cccc(c1)NC(=O)CO 22a_100000188690_100000210174 [0,2,0,0,0,0|1,0,1]=4 15316 B12R1.50 Cc1cccc(c1)NC(=O)CO 527a_100000188690_100000210174 [0,2,0,0,0,0|1,0,1]=4 15317 B12R1.50 Cc1cccc(c1)NC(C)CO 2230a_100000188690_100012180447 [0,2,0,0,0,0|1,0,0]=3 15318 B12R1.50 Cc1cccc(c1)NC(C)CO 34a_100000188690_100012180447 [0,2,0,0,0,0|1,0,0]=3 15319 B12R1.50 Cc1cccc(c1)OC(C)C#N 7a_100000210337_100000703298 [0,2,0,0,0,0|1,0,1]=4 15320 B12R1.50 Cc1cccc(c1)OC(C)CO 34a_100000210337_100012180447 [0,2,0,0,0,0|0,0,0]=2 15321 B12R1.50 Cc1cccc(c1)OC(C)CO 7a_100000210337_100012180447 [0,2,0,0,0,0|0,0,0]=2 15322 B12R1.50 Cc1cccc(c1)SC(C)CO 62a_100012180447_100011215228 [0,2,0,0,0,0|0,1,0]=3 15323 B12R1.50 Cc1cccc(c1)S[C@H](C)CO 62a_100011215228_100016084084 [0,2,0,0,0,0|0,1,0]=3 15324 B12R1.50 Cc1cccc(c1)S[C@H](C)CO 62a_100016084084_100011215228 [0,2,0,0,0,0|0,1,0]=3 15325 B12R1.50 Cc1cccc(n1)SC(C)CO 62a_100012180447_100000742759 [0,2,0,0,0,0|1,1,0]=4 15326 B12R1.50 Cc1cccc(n1)S[C@H](C)CO 62a_100000742759_100016084084 [0,2,0,0,0,0|1,1,0]=4 15327 B12R1.50 Cc1cccc(n1)S[C@H](C)CO 62a_100016084084_100000742759 [0,2,0,0,0,0|1,1,0]=4 15328 B12R1.50 Cc1ccnc(c1)SC(C)CO 62a_100012180447_100000750283 [0,2,0,0,0,0|1,1,0]=4 15329 B12R1.50 Cc1ccnc(c1)S[C@H](C)CO 62a_100000750283_100016084084 [0,2,0,0,0,0|1,1,0]=4 15330 B12R1.50 Cc1ccnc(c1)S[C@H](C)CO 62a_100016084084_100000750283 [0,2,0,0,0,0|1,1,0]=4 15331 B12R1.50 Cc1cncc(c1)OC(C)CO 34a_100011830280_100012180447 [0,2,0,0,0,0|1,0,0]=3 15332 B12R1.50 Cc1cncc(c1)OC(C)CO 7a_100011830280_100012180447 [0,2,0,0,0,0|1,0,0]=3 15333 B12R1.50 Cc1cncc(c1)SC(C)CO 62a_100012180447_100000760492 [0,2,0,0,0,0|1,1,0]=4 15334 B12R1.50 Cc1cncc(c1)S[C@H](C)CO 62a_100000760492_100016084084 [0,2,0,0,0,0|1,1,0]=4 15335 B12R1.50 Cc1cncc(c1)S[C@H](C)CO 62a_100016084084_100000760492 [0,2,0,0,0,0|1,1,0]=4 15336 B12R1.50 Cc1cnnc(c1)OC(C)CO 34a_100000766097_100012180447 [0,2,0,0,0,0|2,0,0]=4 15337 B12R1.50 NC(CO)Cc1cccc(c1)O 271570a_203496583355_114802770106 [0,2,0,0,0,0|1,0,0]=3 15338 B12R1.50 O=C(CO)Cc1cccc(c1)Br 1458a_100000210174_100000211773 [0,2,0,0,0,0|1,0,1]=4 15339 B12R1.50 O=C(CO)Cc1cccc(c1)Cl 1458a_100000210174_100000181238 [0,2,0,0,0,0|1,0,1]=4 15340 B12R1.50 O=C(CO)Cc1cccc(c1)F 1458a_100000210174_100000230114 [0,2,0,0,0,0|1,0,1]=4 15341 B12R1.50 O=C(CO)Cc1cccc(c1)I 1458a_100000210174_100011218688 [0,2,0,0,0,0|1,0,1]=4 15342 B12R1.50 O=C(CO)Cc1cccc(c1)O 1458a_100000210174_100011660834 [0,2,0,0,0,0|1,0,1]=4 15343 B12R1.50 O=C(CO)Nc1cccc(c1)Br 22a_100000210019_100000210174 [0,2,0,0,0,0|1,0,1]=4 15344 B12R1.50 O=C(CO)Nc1cccc(c1)Br 527a_100000210019_100000210174 [0,2,0,0,0,0|1,0,1]=4 15345 B12R1.50 O=C(CO)Nc1cccc(c1)Cl 22a_100000185859_100000210174 [0,2,0,0,0,0|1,0,1]=4 15346 B12R1.50 O=C(CO)Nc1cccc(c1)F 22a_100000210047_100000210174 [0,2,0,0,0,0|1,0,1]=4 15347 B12R1.50 O=C(CO)Nc1cccc(c1)F 527a_100000210047_100000210174 [0,2,0,0,0,0|1,0,1]=4 15348 B12R1.50 O=C(CO)Nc1cccc(c1)I 22a_100000211102_100000210174 [0,2,0,0,0,0|1,0,1]=4 15349 B12R1.50 O=C(CO)Nc1cccc(c1)I 527a_100000211102_100000210174 [0,2,0,0,0,0|1,0,1]=4 15350 B12R1.50 O=C(CO)Nc1cccc(c1)O 22a_100000210217_100000210174 [0,2,0,0,0,0|1,0,1]=4 15351 B12R1.50 O=C(CO)Nc1cccc(c1)O 527a_100000210217_100000210174 [0,2,0,0,0,0|1,0,1]=4 15352 B12R1.100 C#CCOc1cc(cc(c1)Br)Br 34a_100010167048_100000184674 [0,2,0,0,0,0|1,0,1]=4 15353 B12R1.100 C#CCOc1cc(cc(c1)Br)Br 7a_100010167048_100000038162 [0,2,0,0,0,0|1,0,1]=4 15354 B12R1.100 C#CCOc1cc(cc(c1)Br)C 34a_100011999630_100000184674 [0,2,0,0,0,0|1,0,1]=4 15355 B12R1.100 C#CCOc1cc(cc(c1)Br)C 7a_100011999630_100000038162 [0,2,0,0,0,0|1,0,1]=4 15356 B12R1.100 C#CCOc1cc(cc(c1)Br)Cl 34a_100010185897_100000184674 [0,2,0,0,0,0|1,0,1]=4 15357 B12R1.100 C#CCOc1cc(cc(c1)Br)Cl 7a_100010185897_100000038162 [0,2,0,0,0,0|1,0,1]=4 15358 B12R1.100 C#CCOc1cc(cc(c1)Br)F 34a_100000688818_100000184674 [0,2,0,0,0,0|1,0,1]=4 15359 B12R1.100 C#CCOc1cc(cc(c1)Br)F 7a_100000688818_100000038162 [0,2,0,0,0,0|1,0,1]=4 15360 B12R1.100 C#CCOc1cc(cc(c1)C)C 34a_100000210933_100000184674 [0,2,0,0,0,0|1,0,1]=4 15361 B12R1.100 C#CCOc1cc(cc(c1)C)C 7a_100000210933_100000038162 [0,2,0,0,0,0|1,0,1]=4 15362 B12R1.100 C#CCOc1cc(cc(c1)Cl)C 34a_100000087485_100000184674 [0,2,0,0,0,0|1,0,1]=4 15363 B12R1.100 C#CCOc1cc(cc(c1)Cl)C 7a_100000087485_100000038162 [0,2,0,0,0,0|1,0,1]=4 15364 B12R1.100 C#CCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100000184674 [0,2,0,0,0,0|1,0,1]=4 15365 B12R1.100 C#CCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100000038162 [0,2,0,0,0,0|1,0,1]=4 15366 B12R1.100 C#CCOc1cc(cc(c1)Cl)F 34a_100011219751_100000184674 [0,2,0,0,0,0|1,0,1]=4 15367 B12R1.100 C#CCOc1cc(cc(c1)Cl)F 7a_100011219751_100000038162 [0,2,0,0,0,0|1,0,1]=4 15368 B12R1.100 C#CCOc1cc(cc(c1)Cl)N 34a_100000123917_100000184674 [0,2,0,0,0,0|1,0,1]=4 15369 B12R1.100 C#CCOc1cc(cc(c1)Cl)N 7a_100000123917_100000038162 [0,2,0,0,0,0|1,0,1]=4 15370 B12R1.100 C#CCOc1cc(cc(c1)F)C 34a_100011830401_100000184674 [0,2,0,0,0,0|1,0,1]=4 15371 B12R1.100 C#CCOc1cc(cc(c1)F)C 7a_100011830401_100000038162 [0,2,0,0,0,0|1,0,1]=4 15372 B12R1.100 C#CCOc1cc(cc(c1)F)F 34a_100000747503_100000184674 [0,2,0,0,0,0|1,0,1]=4 15373 B12R1.100 C#CCOc1cc(cc(c1)F)F 7a_100000747503_100000038162 [0,2,0,0,0,0|1,0,1]=4 15374 B12R1.100 C#CCOc1cc(cc(c1)I)Br 34a_100010068917_100000184674 [0,2,0,0,0,0|1,0,1]=4 15375 B12R1.100 C#CCOc1cc(cc(c1)I)Br 7a_100010068917_100000038162 [0,2,0,0,0,0|1,0,1]=4 15376 B12R1.100 C#CCOc1cc(cc(c1)I)Cl 34a_100010068924_100000184674 [0,2,0,0,0,0|1,0,1]=4 15377 B12R1.100 C#CCOc1cc(cc(c1)I)Cl 7a_100010068924_100000038162 [0,2,0,0,0,0|1,0,1]=4 15378 B12R1.100 C#CCOc1cc(cc(c1)I)F 34a_100000717995_100000184674 [0,2,0,0,0,0|1,0,1]=4 15379 B12R1.100 C#CCOc1cc(cc(c1)I)F 7a_100000717995_100000038162 [0,2,0,0,0,0|1,0,1]=4 15380 B12R1.100 C#CCOc1cc(cc(c1)N)C 34a_100011995906_100000184674 [0,2,0,0,0,0|1,0,1]=4 15381 B12R1.100 C#CCOc1cc(cc(c1)N)C 7a_100011995906_100000038162 [0,2,0,0,0,0|1,0,1]=4 15382 B12R1.100 C=CCOc1cc(cc(c1)Br)Br 34a_100010167048_100015514636 [0,2,0,0,0,0|1,0,1]=4 15383 B12R1.100 C=CCOc1cc(cc(c1)Br)Br 7a_100010167048_100015514636 [0,2,0,0,0,0|1,0,1]=4 15384 B12R1.100 C=CCOc1cc(cc(c1)Br)C 34a_100011999630_100015514636 [0,2,0,0,0,0|1,0,1]=4 15385 B12R1.100 C=CCOc1cc(cc(c1)Br)C 7a_100011999630_100015514636 [0,2,0,0,0,0|1,0,1]=4 15386 B12R1.100 C=CCOc1cc(cc(c1)Br)Cl 34a_100010185897_100015514636 [0,2,0,0,0,0|1,0,1]=4 15387 B12R1.100 C=CCOc1cc(cc(c1)Br)Cl 7a_100010185897_100015514636 [0,2,0,0,0,0|1,0,1]=4 15388 B12R1.100 C=CCOc1cc(cc(c1)Br)F 34a_100000688818_100015514636 [0,2,0,0,0,0|1,0,1]=4 15389 B12R1.100 C=CCOc1cc(cc(c1)Br)F 7a_100000688818_100015514636 [0,2,0,0,0,0|1,0,1]=4 15390 B12R1.100 C=CCOc1cc(cc(c1)C)C 34a_100000210933_100015514636 [0,2,0,0,0,0|1,0,1]=4 15391 B12R1.100 C=CCOc1cc(cc(c1)C)C 7a_100000210933_100015514636 [0,2,0,0,0,0|1,0,1]=4 15392 B12R1.100 C=CCOc1cc(cc(c1)Cl)C 34a_100000087485_100015514636 [0,2,0,0,0,0|1,0,1]=4 15393 B12R1.100 C=CCOc1cc(cc(c1)Cl)C 7a_100000087485_100015514636 [0,2,0,0,0,0|1,0,1]=4 15394 B12R1.100 C=CCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100015514636 [0,2,0,0,0,0|1,0,1]=4 15395 B12R1.100 C=CCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100015514636 [0,2,0,0,0,0|1,0,1]=4 15396 B12R1.100 C=CCOc1cc(cc(c1)Cl)F 34a_100011219751_100015514636 [0,2,0,0,0,0|1,0,1]=4 15397 B12R1.100 C=CCOc1cc(cc(c1)Cl)F 7a_100011219751_100015514636 [0,2,0,0,0,0|1,0,1]=4 15398 B12R1.100 C=CCOc1cc(cc(c1)Cl)N 34a_100000123917_100015514636 [0,2,0,0,0,0|1,0,1]=4 15399 B12R1.100 C=CCOc1cc(cc(c1)Cl)N 7a_100000123917_100015514636 [0,2,0,0,0,0|1,0,1]=4 15400 B12R1.100 C=CCOc1cc(cc(c1)F)C 34a_100011830401_100015514636 [0,2,0,0,0,0|1,0,1]=4 15401 B12R1.100 C=CCOc1cc(cc(c1)F)C 7a_100011830401_100015514636 [0,2,0,0,0,0|1,0,1]=4 15402 B12R1.100 C=CCOc1cc(cc(c1)F)F 34a_100000747503_100015514636 [0,2,0,0,0,0|1,0,1]=4 15403 B12R1.100 C=CCOc1cc(cc(c1)F)F 7a_100000747503_100015514636 [0,2,0,0,0,0|1,0,1]=4 15404 B12R1.100 C=CCOc1cc(cc(c1)I)Br 34a_100010068917_100015514636 [0,2,0,0,0,0|1,0,1]=4 15405 B12R1.100 C=CCOc1cc(cc(c1)I)Br 7a_100010068917_100015514636 [0,2,0,0,0,0|1,0,1]=4 15406 B12R1.100 C=CCOc1cc(cc(c1)I)Cl 34a_100010068924_100015514636 [0,2,0,0,0,0|1,0,1]=4 15407 B12R1.100 C=CCOc1cc(cc(c1)I)Cl 7a_100010068924_100015514636 [0,2,0,0,0,0|1,0,1]=4 15408 B12R1.100 C=CCOc1cc(cc(c1)I)F 34a_100000717995_100015514636 [0,2,0,0,0,0|1,0,1]=4 15409 B12R1.100 C=CCOc1cc(cc(c1)I)F 7a_100000717995_100015514636 [0,2,0,0,0,0|1,0,1]=4 15410 B12R1.100 C=CCOc1cc(cc(c1)N)C 34a_100011995906_100015514636 [0,2,0,0,0,0|1,0,1]=4 15411 B12R1.100 C=CCOc1cc(cc(c1)N)C 7a_100011995906_100015514636 [0,2,0,0,0,0|1,0,1]=4 15412 B12R1.100 CCCCc1cc(cc(c1)Br)Br 271570a_100020621405_100009814770 [0,2,0,0,0,0|2,0,0]=4 15413 B12R1.100 CCCCc1cc(cc(c1)Br)Cl 271570a_100020621405_100009814755 [0,2,0,0,0,0|2,0,0]=4 15414 B12R1.100 CCCCc1cc(cc(c1)Br)F 271570a_100020621405_100009814764 [0,2,0,0,0,0|2,0,0]=4 15415 B12R1.100 CCCCc1cc(cc(c1)Br)N 271570a_100020621405_100009814763 [0,2,0,0,0,0|2,0,0]=4 15416 B12R1.100 CCCCc1cc(cc(c1)Br)O 271570a_100020621405_100010068917 [0,2,0,0,0,0|2,0,0]=4 15417 B12R1.100 CCCCc1cc(cc(c1)C)C 271570a_100020621405_100011215608 [0,2,0,0,0,0|2,0,0]=4 15418 B12R1.100 CCCCc1cc(cc(c1)Cl)C 271570a_100020621405_100010172791 [0,2,0,0,0,0|2,0,0]=4 15419 B12R1.100 CCCCc1cc(cc(c1)Cl)Cl 271570a_100020621405_100000747138 [0,2,0,0,0,0|2,0,0]=4 15420 B12R1.100 CCCCc1cc(cc(c1)Cl)F 271570a_100020621405_100013859453 [0,2,0,0,0,0|2,0,0]=4 15421 B12R1.100 CCCCc1cc(cc(c1)Cl)N 271570a_100020621405_100010147676 [0,2,0,0,0,0|2,0,0]=4 15422 B12R1.100 CCCCc1cc(cc(c1)Cl)O 271570a_100020621405_100010068924 [0,2,0,0,0,0|2,0,0]=4 15423 B12R1.100 CCCCc1cc(cc(c1)F)C 271570a_100020621405_100011356977 [0,2,0,0,0,0|2,0,0]=4 15424 B12R1.100 CCCCc1cc(cc(c1)F)F 271570a_100020621405_100011218498 [0,2,0,0,0,0|2,0,0]=4 15425 B12R1.100 CCCCc1cc(cc(c1)F)N 271570a_100020621405_100011356972 [0,2,0,0,0,0|2,0,0]=4 15426 B12R1.100 CCCCc1cc(cc(c1)F)O 271570a_100020621405_100000717995 [0,2,0,0,0,0|2,0,0]=4 15427 B12R1.100 CCCCc1cc(cc(c1)N)C 271570a_100020621405_100000695972 [0,2,0,0,0,0|2,0,0]=4 15428 B12R1.100 CCCCc1cc(cc(c1)N)N 271570a_100020621405_100011999608 [0,2,0,0,0,0|2,0,0]=4 15429 B12R1.100 CCCCc1cc(cc(c1)O)C 271570a_100020621405_100011999630 [0,2,0,0,0,0|2,0,0]=4 15430 B12R1.100 CCCCc1cc(cc(c1)O)O 271570a_100020621405_100009868816 [0,2,0,0,0,0|2,0,0]=4 15431 B12R1.100 CCCNc1cc(cc(c1)Br)Br 34a_100012047176_100000210303 [0,2,0,0,0,0|2,0,0]=4 15432 B12R1.100 CCCNc1cc(cc(c1)Br)Br 7a_100012047176_100000210303 [0,2,0,0,0,0|2,0,0]=4 15433 B12R1.100 CCCNc1cc(cc(c1)Br)C 34a_100000695972_100000210303 [0,2,0,0,0,0|2,0,0]=4 15434 B12R1.100 CCCNc1cc(cc(c1)Br)C 7a_100000695972_100000210303 [0,2,0,0,0,0|2,0,0]=4 15435 B12R1.100 CCCNc1cc(cc(c1)Br)Cl 34a_100011934539_100000210303 [0,2,0,0,0,0|2,0,0]=4 15436 B12R1.100 CCCNc1cc(cc(c1)Br)Cl 7a_100011934539_100000210303 [0,2,0,0,0,0|2,0,0]=4 15437 B12R1.100 CCCNc1cc(cc(c1)Br)F 34a_100000705686_100000210303 [0,2,0,0,0,0|2,0,0]=4 15438 B12R1.100 CCCNc1cc(cc(c1)Br)F 7a_100000705686_100000210303 [0,2,0,0,0,0|2,0,0]=4 15439 B12R1.100 CCCNc1cc(cc(c1)C)C 2230a_100000210930_100000210303 [0,2,0,0,0,0|2,0,0]=4 15440 B12R1.100 CCCNc1cc(cc(c1)C)C 34a_100000210930_100000210303 [0,2,0,0,0,0|2,0,0]=4 15441 B12R1.100 CCCNc1cc(cc(c1)C)C 7a_100000210930_100000210303 [0,2,0,0,0,0|2,0,0]=4 15442 B12R1.100 CCCNc1cc(cc(c1)Cl)C 2230a_100012022512_100000210303 [0,2,0,0,0,0|2,0,0]=4 15443 B12R1.100 CCCNc1cc(cc(c1)Cl)C 34a_100012022512_100000210303 [0,2,0,0,0,0|2,0,0]=4 15444 B12R1.100 CCCNc1cc(cc(c1)Cl)C 7a_100012022512_100000210303 [0,2,0,0,0,0|2,0,0]=4 15445 B12R1.100 CCCNc1cc(cc(c1)Cl)Cl 34a_100000210456_100000210303 [0,2,0,0,0,0|2,0,0]=4 15446 B12R1.100 CCCNc1cc(cc(c1)Cl)Cl 7a_100000210456_100000210303 [0,2,0,0,0,0|2,0,0]=4 15447 B12R1.100 CCCNc1cc(cc(c1)Cl)F 34a_100000686136_100000210303 [0,2,0,0,0,0|2,0,0]=4 15448 B12R1.100 CCCNc1cc(cc(c1)Cl)F 7a_100000686136_100000210303 [0,2,0,0,0,0|2,0,0]=4 15449 B12R1.100 CCCNc1cc(cc(c1)Cl)O 34a_100000123917_100000210303 [0,2,0,0,0,0|2,0,0]=4 15450 B12R1.100 CCCNc1cc(cc(c1)Cl)O 7a_100000123917_100000210303 [0,2,0,0,0,0|2,0,0]=4 15451 B12R1.100 CCCNc1cc(cc(c1)F)C 2230a_100000742734_100000210303 [0,2,0,0,0,0|2,0,0]=4 15452 B12R1.100 CCCNc1cc(cc(c1)F)C 34a_100000742734_100000210303 [0,2,0,0,0,0|2,0,0]=4 15453 B12R1.100 CCCNc1cc(cc(c1)F)C 7a_100000742734_100000210303 [0,2,0,0,0,0|2,0,0]=4 15454 B12R1.100 CCCNc1cc(cc(c1)F)F 34a_100000233717_100000210303 [0,2,0,0,0,0|2,0,0]=4 15455 B12R1.100 CCCNc1cc(cc(c1)F)F 7a_100000233717_100000210303 [0,2,0,0,0,0|2,0,0]=4 15456 B12R1.100 CCCNc1cc(cc(c1)I)Br 7a_100009814763_100000210303 [0,2,0,0,0,0|2,0,0]=4 15457 B12R1.100 CCCNc1cc(cc(c1)I)Cl 7a_100010147676_100000210303 [0,2,0,0,0,0|2,0,0]=4 15458 B12R1.100 CCCNc1cc(cc(c1)I)F 34a_100011356972_100000210303 [0,2,0,0,0,0|2,0,0]=4 15459 B12R1.100 CCCNc1cc(cc(c1)I)F 7a_100011356972_100000210303 [0,2,0,0,0,0|2,0,0]=4 15460 B12R1.100 CCCNc1cc(cc(c1)I)I 7a_200000696836_100000210303 [0,2,0,0,0,0|2,0,0]=4 15461 B12R1.100 CCCNc1cc(cc(c1)O)C 34a_100011995906_100000210303 [0,2,0,0,0,0|2,0,0]=4 15462 B12R1.100 CCCNc1cc(cc(c1)O)C 7a_100011995906_100000210303 [0,2,0,0,0,0|2,0,0]=4 15463 B12R1.100 CCCNc1cc(cc(c1)O)O 34a_100000043371_100000210303 [0,2,0,0,0,0|2,0,0]=4 15464 B12R1.100 CCCOc1cc(=O)cc(o1)C 34a_100016989201_100000210303 [0,2,0,0,0,0|2,0,0]=4 15465 B12R1.100 CCCOc1cc([nH]c(=O)c1)C 34a_100000039070_100000210303 [0,2,0,0,0,0|2,0,0]=4 15466 B12R1.100 CCCOc1cc(cc(c1)Br)Br 34a_100010167048_100000210303 [0,2,0,0,0,0|1,0,0]=3 15467 B12R1.100 CCCOc1cc(cc(c1)Br)Br 7a_100010167048_100000210303 [0,2,0,0,0,0|1,0,0]=3 15468 B12R1.100 CCCOc1cc(cc(c1)Br)C 34a_100011999630_100000210303 [0,2,0,0,0,0|1,0,0]=3 15469 B12R1.100 CCCOc1cc(cc(c1)Br)C 7a_100011999630_100000210303 [0,2,0,0,0,0|1,0,0]=3 15470 B12R1.100 CCCOc1cc(cc(c1)Br)Cl 34a_100010185897_100000210303 [0,2,0,0,0,0|1,0,0]=3 15471 B12R1.100 CCCOc1cc(cc(c1)Br)Cl 7a_100010185897_100000210303 [0,2,0,0,0,0|1,0,0]=3 15472 B12R1.100 CCCOc1cc(cc(c1)Br)F 34a_100000688818_100000210303 [0,2,0,0,0,0|1,0,0]=3 15473 B12R1.100 CCCOc1cc(cc(c1)Br)F 7a_100000688818_100000210303 [0,2,0,0,0,0|1,0,0]=3 15474 B12R1.100 CCCOc1cc(cc(c1)C)C 34a_100000210933_100000210303 [0,2,0,0,0,0|1,0,0]=3 15475 B12R1.100 CCCOc1cc(cc(c1)C)C 7a_100000210933_100000210303 [0,2,0,0,0,0|1,0,0]=3 15476 B12R1.100 CCCOc1cc(cc(c1)Cl)C 34a_100000087485_100000210303 [0,2,0,0,0,0|1,0,0]=3 15477 B12R1.100 CCCOc1cc(cc(c1)Cl)C 7a_100000087485_100000210303 [0,2,0,0,0,0|1,0,0]=3 15478 B12R1.100 CCCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100000210303 [0,2,0,0,0,0|1,0,0]=3 15479 B12R1.100 CCCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100000210303 [0,2,0,0,0,0|1,0,0]=3 15480 B12R1.100 CCCOc1cc(cc(c1)Cl)F 34a_100011219751_100000210303 [0,2,0,0,0,0|1,0,0]=3 15481 B12R1.100 CCCOc1cc(cc(c1)Cl)F 7a_100011219751_100000210303 [0,2,0,0,0,0|1,0,0]=3 15482 B12R1.100 CCCOc1cc(cc(c1)Cl)N 34a_100000123917_100000210303 [0,2,0,0,0,0|1,0,0]=3 15483 B12R1.100 CCCOc1cc(cc(c1)Cl)N 7a_100000123917_100000210303 [0,2,0,0,0,0|1,0,0]=3 15484 B12R1.100 CCCOc1cc(cc(c1)F)C 34a_100011830401_100000210303 [0,2,0,0,0,0|1,0,0]=3 15485 B12R1.100 CCCOc1cc(cc(c1)F)C 7a_100011830401_100000210303 [0,2,0,0,0,0|1,0,0]=3 15486 B12R1.100 CCCOc1cc(cc(c1)F)F 34a_100000747503_100000210303 [0,2,0,0,0,0|1,0,0]=3 15487 B12R1.100 CCCOc1cc(cc(c1)F)F 7a_100000747503_100000210303 [0,2,0,0,0,0|1,0,0]=3 15488 B12R1.100 CCCOc1cc(cc(c1)I)Br 34a_100010068917_100000210303 [0,2,0,0,0,0|1,0,0]=3 15489 B12R1.100 CCCOc1cc(cc(c1)I)Br 7a_100010068917_100000210303 [0,2,0,0,0,0|1,0,0]=3 15490 B12R1.100 CCCOc1cc(cc(c1)I)Cl 34a_100010068924_100000210303 [0,2,0,0,0,0|1,0,0]=3 15491 B12R1.100 CCCOc1cc(cc(c1)I)Cl 7a_100010068924_100000210303 [0,2,0,0,0,0|1,0,0]=3 15492 B12R1.100 CCCOc1cc(cc(c1)I)F 34a_100000717995_100000210303 [0,2,0,0,0,0|1,0,0]=3 15493 B12R1.100 CCCOc1cc(cc(c1)I)F 7a_100000717995_100000210303 [0,2,0,0,0,0|1,0,0]=3 15494 B12R1.100 CCCOc1cc(cc(c1)N)C 34a_100011995906_100000210303 [0,2,0,0,0,0|1,0,0]=3 15495 B12R1.100 CCCOc1cc(cc(c1)N)C 7a_100011995906_100000210303 [0,2,0,0,0,0|1,0,0]=3 15496 B12R1.100 CCCOc1cc(nc(c1)Br)Br 34a_100010172823_100000210303 [0,2,0,0,0,0|2,0,0]=4 15497 B12R1.100 CCCOc1cc(nc(c1)Br)Br 7a_100010172823_100000210303 [0,2,0,0,0,0|2,0,0]=4 15498 B12R1.100 CCCOc1cc(oc(=O)c1)C 34a_100000210952_100000210303 [0,2,0,0,0,0|2,0,0]=4 15499 B12R1.100 CCCOc1cc(oc(=O)c1)C 7a_100000210952_100000210303 [0,2,0,0,0,0|2,0,0]=4 15500 B12R1.100 CCCSc1cc(cc(c1)Br)Br 62a_100000210303_100009814770 [0,2,0,0,0,0|1,1,0]=4 15501 B12R1.100 CCCSc1cc(cc(c1)Br)Br 62a_100009814770_100000210303 [0,2,0,0,0,0|1,1,0]=4 15502 B12R1.100 CCCSc1cc(cc(c1)Br)Cl 62a_100000210303_100009814755 [0,2,0,0,0,0|1,1,0]=4 15503 B12R1.100 CCCSc1cc(cc(c1)Br)Cl 62a_100009814755_100000210303 [0,2,0,0,0,0|1,1,0]=4 15504 B12R1.100 CCCSc1cc(cc(c1)Br)F 62a_100000210303_100009814764 [0,2,0,0,0,0|1,1,0]=4 15505 B12R1.100 CCCSc1cc(cc(c1)Br)F 62a_100009814764_100000210303 [0,2,0,0,0,0|1,1,0]=4 15506 B12R1.100 CCCSc1cc(cc(c1)Br)N 62a_100000210303_100009814763 [0,2,0,0,0,0|1,1,0]=4 15507 B12R1.100 CCCSc1cc(cc(c1)Br)N 62a_100009814763_100000210303 [0,2,0,0,0,0|1,1,0]=4 15508 B12R1.100 CCCSc1cc(cc(c1)Br)O 62a_100000210303_100010068917 [0,2,0,0,0,0|1,1,0]=4 15509 B12R1.100 CCCSc1cc(cc(c1)Br)O 62a_100010068917_100000210303 [0,2,0,0,0,0|1,1,0]=4 15510 B12R1.100 CCCSc1cc(cc(c1)C)C 62a_100000210303_100011215608 [0,2,0,0,0,0|1,1,0]=4 15511 B12R1.100 CCCSc1cc(cc(c1)C)C 62a_100011215608_100000210303 [0,2,0,0,0,0|1,1,0]=4 15512 B12R1.100 CCCSc1cc(cc(c1)Cl)C 62a_100000210303_100010172791 [0,2,0,0,0,0|1,1,0]=4 15513 B12R1.100 CCCSc1cc(cc(c1)Cl)C 62a_100010172791_100000210303 [0,2,0,0,0,0|1,1,0]=4 15514 B12R1.100 CCCSc1cc(cc(c1)Cl)Cl 62a_100000210303_100000747138 [0,2,0,0,0,0|1,1,0]=4 15515 B12R1.100 CCCSc1cc(cc(c1)Cl)Cl 62a_100000747138_100000210303 [0,2,0,0,0,0|1,1,0]=4 15516 B12R1.100 CCCSc1cc(cc(c1)Cl)F 62a_100000210303_100013859453 [0,2,0,0,0,0|1,1,0]=4 15517 B12R1.100 CCCSc1cc(cc(c1)Cl)F 62a_100013859453_100000210303 [0,2,0,0,0,0|1,1,0]=4 15518 B12R1.100 CCCSc1cc(cc(c1)Cl)N 62a_100000210303_100010147676 [0,2,0,0,0,0|1,1,0]=4 15519 B12R1.100 CCCSc1cc(cc(c1)Cl)N 62a_100010147676_100000210303 [0,2,0,0,0,0|1,1,0]=4 15520 B12R1.100 CCCSc1cc(cc(c1)Cl)O 62a_100000210303_100010068924 [0,2,0,0,0,0|1,1,0]=4 15521 B12R1.100 CCCSc1cc(cc(c1)Cl)O 62a_100010068924_100000210303 [0,2,0,0,0,0|1,1,0]=4 15522 B12R1.100 CCCSc1cc(cc(c1)F)C 62a_100000210303_100011356977 [0,2,0,0,0,0|1,1,0]=4 15523 B12R1.100 CCCSc1cc(cc(c1)F)C 62a_100011356977_100000210303 [0,2,0,0,0,0|1,1,0]=4 15524 B12R1.100 CCCSc1cc(cc(c1)F)F 62a_100000210303_100000233788 [0,2,0,0,0,0|1,1,0]=4 15525 B12R1.100 CCCSc1cc(cc(c1)F)F 62a_100000233788_100000210303 [0,2,0,0,0,0|1,1,0]=4 15526 B12R1.100 CCCSc1cc(cc(c1)F)N 62a_100000210303_100011356972 [0,2,0,0,0,0|1,1,0]=4 15527 B12R1.100 CCCSc1cc(cc(c1)F)N 62a_100011356972_100000210303 [0,2,0,0,0,0|1,1,0]=4 15528 B12R1.100 CCCSc1cc(cc(c1)F)O 62a_100000210303_100000688818 [0,2,0,0,0,0|1,1,0]=4 15529 B12R1.100 CCCSc1cc(cc(c1)F)O 62a_100000688818_100000210303 [0,2,0,0,0,0|1,1,0]=4 15530 B12R1.100 CCCSc1cc(cc(c1)N)C 62a_100000210303_100000695972 [0,2,0,0,0,0|1,1,0]=4 15531 B12R1.100 CCCSc1cc(cc(c1)N)C 62a_100000695972_100000210303 [0,2,0,0,0,0|1,1,0]=4 15532 B12R1.100 CCCSc1cc(cc(c1)N)N 62a_100000210303_100011999608 [0,2,0,0,0,0|1,1,0]=4 15533 B12R1.100 CCCSc1cc(cc(c1)N)N 62a_100011999608_100000210303 [0,2,0,0,0,0|1,1,0]=4 15534 B12R1.100 CCCSc1cc(cc(c1)O)C 62a_100000210303_100011999630 [0,2,0,0,0,0|1,1,0]=4 15535 B12R1.100 CCCSc1cc(cc(c1)O)O 62a_100000210303_100009868816 [0,2,0,0,0,0|1,1,0]=4 15536 B12R1.100 CSCOc1cc(cc(c1)Br)Br 34a_100010167048_100011218213 [0,2,0,0,0,0|2,0,0]=4 15537 B12R1.100 CSCOc1cc(cc(c1)Br)C 34a_100011999630_100011218213 [0,2,0,0,0,0|2,0,0]=4 15538 B12R1.100 CSCOc1cc(cc(c1)Br)Cl 34a_100010185897_100011218213 [0,2,0,0,0,0|2,0,0]=4 15539 B12R1.100 CSCOc1cc(cc(c1)Br)F 34a_100000688818_100011218213 [0,2,0,0,0,0|2,0,0]=4 15540 B12R1.100 CSCOc1cc(cc(c1)C)C 34a_100000210933_100011218213 [0,2,0,0,0,0|2,0,0]=4 15541 B12R1.100 CSCOc1cc(cc(c1)Cl)C 34a_100000087485_100011218213 [0,2,0,0,0,0|2,0,0]=4 15542 B12R1.100 CSCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100011218213 [0,2,0,0,0,0|2,0,0]=4 15543 B12R1.100 CSCOc1cc(cc(c1)Cl)F 34a_100011219751_100011218213 [0,2,0,0,0,0|2,0,0]=4 15544 B12R1.100 CSCOc1cc(cc(c1)Cl)N 34a_100000123917_100011218213 [0,2,0,0,0,0|2,0,0]=4 15545 B12R1.100 CSCOc1cc(cc(c1)F)C 34a_100011830401_100011218213 [0,2,0,0,0,0|2,0,0]=4 15546 B12R1.100 CSCOc1cc(cc(c1)F)F 34a_100000747503_100011218213 [0,2,0,0,0,0|2,0,0]=4 15547 B12R1.100 CSCOc1cc(cc(c1)I)Br 34a_100010068917_100011218213 [0,2,0,0,0,0|2,0,0]=4 15548 B12R1.100 CSCOc1cc(cc(c1)I)Cl 34a_100010068924_100011218213 [0,2,0,0,0,0|2,0,0]=4 15549 B12R1.100 CSCOc1cc(cc(c1)I)F 34a_100000717995_100011218213 [0,2,0,0,0,0|2,0,0]=4 15550 B12R1.100 CSCOc1cc(cc(c1)N)C 34a_100011995906_100011218213 [0,2,0,0,0,0|2,0,0]=4 15551 B12R1.100 Cc1cc(=O)cc(o1)OCCF 34a_100016989201_100011217306 [0,2,0,0,0,0|2,0,0]=4 15552 B12R1.100 Cc1cc(=O)cc(o1)OCCO 34a_100016989201_100000211926 [0,2,0,0,0,0|1,0,0]=3 15553 B12R1.100 Cc1cc(cc(=O)[nH]1)NCCO 27a_100000210304_100009861981 [0,2,0,0,0,0|2,0,0]=4 15554 B12R1.100 Cc1cc(cc(=O)[nH]1)OCCF 34a_100000039070_100011217306 [0,2,0,0,0,0|2,0,0]=4 15555 B12R1.100 Cc1cc(cc(=O)[nH]1)OCCO 34a_100000039070_100000211926 [0,2,0,0,0,0|1,0,0]=3 15556 B12R1.100 Cc1cc(cc(=O)[nH]1)SCCO 62a_100000211926_100009861981 [0,2,0,0,0,0|1,1,0]=4 15557 B12R1.100 Cc1cc(cc(=O)[nH]1)SCCO 62a_100009861981_100000211926 [0,2,0,0,0,0|1,1,0]=4 15558 B12R1.100 Cc1cc(cc(=O)o1)OCCF 34a_100000210952_100011217306 [0,2,0,0,0,0|2,0,0]=4 15559 B12R1.100 Cc1cc(cc(=O)o1)OCCF 7a_100000210952_100011217306 [0,2,0,0,0,0|2,0,0]=4 15560 B12R1.100 Cc1cc(cc(=O)o1)OCCO 34a_100000210952_100000211926 [0,2,0,0,0,0|1,0,0]=3 15561 B12R1.100 Cc1cc(cc(=O)o1)OCCO 7a_100000210952_100000211926 [0,2,0,0,0,0|1,0,0]=3 15562 B12R1.100 Cc1cc(cc(c1)NCCF)Br 34a_100000695972_100011217306 [0,2,0,0,0,0|2,0,0]=4 15563 B12R1.100 Cc1cc(cc(c1)NCCF)Br 7a_100000695972_100011217306 [0,2,0,0,0,0|2,0,0]=4 15564 B12R1.100 Cc1cc(cc(c1)NCCF)C 2230a_100000210930_100011217306 [0,2,0,0,0,0|2,0,0]=4 15565 B12R1.100 Cc1cc(cc(c1)NCCF)C 34a_100000210930_100011217306 [0,2,0,0,0,0|2,0,0]=4 15566 B12R1.100 Cc1cc(cc(c1)NCCF)C 7a_100000210930_100011217306 [0,2,0,0,0,0|2,0,0]=4 15567 B12R1.100 Cc1cc(cc(c1)NCCF)Cl 2230a_100012022512_100011217306 [0,2,0,0,0,0|2,0,0]=4 15568 B12R1.100 Cc1cc(cc(c1)NCCF)Cl 34a_100012022512_100011217306 [0,2,0,0,0,0|2,0,0]=4 15569 B12R1.100 Cc1cc(cc(c1)NCCF)Cl 7a_100012022512_100011217306 [0,2,0,0,0,0|2,0,0]=4 15570 B12R1.100 Cc1cc(cc(c1)NCCF)F 2230a_100000742734_100011217306 [0,2,0,0,0,0|2,0,0]=4 15571 B12R1.100 Cc1cc(cc(c1)NCCF)F 34a_100000742734_100011217306 [0,2,0,0,0,0|2,0,0]=4 15572 B12R1.100 Cc1cc(cc(c1)NCCF)F 7a_100000742734_100011217306 [0,2,0,0,0,0|2,0,0]=4 15573 B12R1.100 Cc1cc(cc(c1)NCCF)O 34a_100011995906_100011217306 [0,2,0,0,0,0|2,0,0]=4 15574 B12R1.100 Cc1cc(cc(c1)NCCF)O 7a_100011995906_100011217306 [0,2,0,0,0,0|2,0,0]=4 15575 B12R1.100 Cc1cc(cc(c1)NCCO)Br 34a_100000695972_100000211926 [0,2,0,0,0,0|1,0,0]=3 15576 B12R1.100 Cc1cc(cc(c1)NCCO)Br 7a_100000695972_100000211926 [0,2,0,0,0,0|1,0,0]=3 15577 B12R1.100 Cc1cc(cc(c1)NCCO)C 2230a_100000210930_100000211926 [0,2,0,0,0,0|1,0,0]=3 15578 B12R1.100 Cc1cc(cc(c1)NCCO)C 34a_100000210930_100000211926 [0,2,0,0,0,0|1,0,0]=3 15579 B12R1.100 Cc1cc(cc(c1)NCCO)C 7a_100000210930_100000211926 [0,2,0,0,0,0|1,0,0]=3 15580 B12R1.100 Cc1cc(cc(c1)NCCO)Cl 2230a_100012022512_100000211926 [0,2,0,0,0,0|1,0,0]=3 15581 B12R1.100 Cc1cc(cc(c1)NCCO)Cl 34a_100012022512_100000211926 [0,2,0,0,0,0|1,0,0]=3 15582 B12R1.100 Cc1cc(cc(c1)NCCO)Cl 7a_100012022512_100000211926 [0,2,0,0,0,0|1,0,0]=3 15583 B12R1.100 Cc1cc(cc(c1)NCCO)F 2230a_100000742734_100000211926 [0,2,0,0,0,0|1,0,0]=3 15584 B12R1.100 Cc1cc(cc(c1)NCCO)F 34a_100000742734_100000211926 [0,2,0,0,0,0|1,0,0]=3 15585 B12R1.100 Cc1cc(cc(c1)NCCO)F 7a_100000742734_100000211926 [0,2,0,0,0,0|1,0,0]=3 15586 B12R1.100 Cc1cc(cc(c1)NCCO)O 34a_100011995906_100000211926 [0,2,0,0,0,0|1,0,0]=3 15587 B12R1.100 Cc1cc(cc(c1)NCCO)O 7a_100011995906_100000211926 [0,2,0,0,0,0|1,0,0]=3 15588 B12R1.100 Cc1cc(cc(c1)OCC#N)Br 7a_100011999630_100011215382 [0,2,0,0,0,0|1,0,1]=4 15589 B12R1.100 Cc1cc(cc(c1)OCC#N)C 7a_100000210933_100011215382 [0,2,0,0,0,0|1,0,1]=4 15590 B12R1.100 Cc1cc(cc(c1)OCC#N)Cl 7a_100000087485_100011215382 [0,2,0,0,0,0|1,0,1]=4 15591 B12R1.100 Cc1cc(cc(c1)OCC#N)F 7a_100011830401_100011215382 [0,2,0,0,0,0|1,0,1]=4 15592 B12R1.100 Cc1cc(cc(c1)OCC#N)N 7a_100011995906_100011215382 [0,2,0,0,0,0|1,0,1]=4 15593 B12R1.100 Cc1cc(cc(c1)OCC=O)Br 34a_100011999630_200009817547 [0,2,0,0,0,0|0,0,2]=4 15594 B12R1.100 Cc1cc(cc(c1)OCC=O)Br 7a_100011999630_200015260668 [0,2,0,0,0,0|0,0,2]=4 15595 B12R1.100 Cc1cc(cc(c1)OCC=O)C 34a_100000210933_200009817547 [0,2,0,0,0,0|0,0,2]=4 15596 B12R1.100 Cc1cc(cc(c1)OCC=O)C 7a_100000210933_200015260668 [0,2,0,0,0,0|0,0,2]=4 15597 B12R1.100 Cc1cc(cc(c1)OCC=O)Cl 34a_100000087485_200009817547 [0,2,0,0,0,0|0,0,2]=4 15598 B12R1.100 Cc1cc(cc(c1)OCC=O)Cl 7a_100000087485_200015260668 [0,2,0,0,0,0|0,0,2]=4 15599 B12R1.100 Cc1cc(cc(c1)OCC=O)F 34a_100011830401_200009817547 [0,2,0,0,0,0|0,0,2]=4 15600 B12R1.100 Cc1cc(cc(c1)OCC=O)F 7a_100011830401_200015260668 [0,2,0,0,0,0|0,0,2]=4 15601 B12R1.100 Cc1cc(cc(c1)OCC=O)N 34a_100011995906_200009817547 [0,2,0,0,0,0|0,0,2]=4 15602 B12R1.100 Cc1cc(cc(c1)OCC=O)N 7a_100011995906_200015260668 [0,2,0,0,0,0|0,0,2]=4 15603 B12R1.100 Cc1cc(cc(c1)OCCF)Br 34a_100011999630_100011217306 [0,2,0,0,0,0|1,0,0]=3 15604 B12R1.100 Cc1cc(cc(c1)OCCF)Br 7a_100011999630_100011217306 [0,2,0,0,0,0|1,0,0]=3 15605 B12R1.100 Cc1cc(cc(c1)OCCF)C 34a_100000210933_100011217306 [0,2,0,0,0,0|1,0,0]=3 15606 B12R1.100 Cc1cc(cc(c1)OCCF)C 7a_100000210933_100011217306 [0,2,0,0,0,0|1,0,0]=3 15607 B12R1.100 Cc1cc(cc(c1)OCCF)Cl 34a_100000087485_100011217306 [0,2,0,0,0,0|1,0,0]=3 15608 B12R1.100 Cc1cc(cc(c1)OCCF)Cl 7a_100000087485_100011217306 [0,2,0,0,0,0|1,0,0]=3 15609 B12R1.100 Cc1cc(cc(c1)OCCF)F 34a_100011830401_100011217306 [0,2,0,0,0,0|1,0,0]=3 15610 B12R1.100 Cc1cc(cc(c1)OCCF)F 7a_100011830401_100011217306 [0,2,0,0,0,0|1,0,0]=3 15611 B12R1.100 Cc1cc(cc(c1)OCCF)N 34a_100011995906_100011217306 [0,2,0,0,0,0|1,0,0]=3 15612 B12R1.100 Cc1cc(cc(c1)OCCF)N 7a_100011995906_100011217306 [0,2,0,0,0,0|1,0,0]=3 15613 B12R1.100 Cc1cc(cc(c1)OCCO)Br 34a_100011999630_100000211926 [0,2,0,0,0,0|0,0,0]=2 15614 B12R1.100 Cc1cc(cc(c1)OCCO)Br 7a_100011999630_100000211926 [0,2,0,0,0,0|0,0,0]=2 15615 B12R1.100 Cc1cc(cc(c1)OCCO)C 34a_100000210933_100000211926 [0,2,0,0,0,0|0,0,0]=2 15616 B12R1.100 Cc1cc(cc(c1)OCCO)C 7a_100000210933_100000211926 [0,2,0,0,0,0|0,0,0]=2 15617 B12R1.100 Cc1cc(cc(c1)OCCO)Cl 34a_100000087485_100000211926 [0,2,0,0,0,0|0,0,0]=2 15618 B12R1.100 Cc1cc(cc(c1)OCCO)Cl 7a_100000087485_100000211926 [0,2,0,0,0,0|0,0,0]=2 15619 B12R1.100 Cc1cc(cc(c1)OCCO)F 34a_100011830401_100000211926 [0,2,0,0,0,0|0,0,0]=2 15620 B12R1.100 Cc1cc(cc(c1)OCCO)F 7a_100011830401_100000211926 [0,2,0,0,0,0|0,0,0]=2 15621 B12R1.100 Cc1cc(cc(c1)OCCO)N 34a_100011995906_100000211926 [0,2,0,0,0,0|0,0,0]=2 15622 B12R1.100 Cc1cc(cc(c1)OCCO)N 7a_100011995906_100000211926 [0,2,0,0,0,0|0,0,0]=2 15623 B12R1.100 Cc1cc(cc(c1)SCCF)C 62a_100011215608_100011217306 [0,2,0,0,0,0|1,1,0]=4 15624 B12R1.100 Cc1cc(cc(c1)SCCF)C 62a_100011217306_100011215608 [0,2,0,0,0,0|1,1,0]=4 15625 B12R1.100 Cc1cc(cc(c1)SCCF)Cl 62a_100010172791_100011217306 [0,2,0,0,0,0|1,1,0]=4 15626 B12R1.100 Cc1cc(cc(c1)SCCF)Cl 62a_100011217306_100010172791 [0,2,0,0,0,0|1,1,0]=4 15627 B12R1.100 Cc1cc(cc(c1)SCCF)F 62a_100011217306_100011356977 [0,2,0,0,0,0|1,1,0]=4 15628 B12R1.100 Cc1cc(cc(c1)SCCF)F 62a_100011356977_100011217306 [0,2,0,0,0,0|1,1,0]=4 15629 B12R1.100 Cc1cc(cc(c1)SCCF)N 62a_100000695972_100011217306 [0,2,0,0,0,0|1,1,0]=4 15630 B12R1.100 Cc1cc(cc(c1)SCCF)N 62a_100011217306_100000695972 [0,2,0,0,0,0|1,1,0]=4 15631 B12R1.100 Cc1cc(cc(c1)SCCF)O 62a_100011217306_100011999630 [0,2,0,0,0,0|1,1,0]=4 15632 B12R1.100 Cc1cc(cc(c1)SCCO)C 62a_100000211926_100011215608 [0,2,0,0,0,0|0,1,0]=3 15633 B12R1.100 Cc1cc(cc(c1)SCCO)C 62a_100011215608_100000211926 [0,2,0,0,0,0|0,1,0]=3 15634 B12R1.100 Cc1cc(cc(c1)SCCO)Cl 62a_100000211926_100010172791 [0,2,0,0,0,0|0,1,0]=3 15635 B12R1.100 Cc1cc(cc(c1)SCCO)Cl 62a_100010172791_100000211926 [0,2,0,0,0,0|0,1,0]=3 15636 B12R1.100 Cc1cc(cc(c1)SCCO)F 62a_100000211926_100011356977 [0,2,0,0,0,0|0,1,0]=3 15637 B12R1.100 Cc1cc(cc(c1)SCCO)F 62a_100011356977_100000211926 [0,2,0,0,0,0|0,1,0]=3 15638 B12R1.100 Cc1cc(cc(c1)SCCO)N 62a_100000211926_100000695972 [0,2,0,0,0,0|0,1,0]=3 15639 B12R1.100 Cc1cc(cc(c1)SCCO)N 62a_100000695972_100000211926 [0,2,0,0,0,0|0,1,0]=3 15640 B12R1.100 Cc1cc(cc(c1)SCCO)O 62a_100000211926_100011999630 [0,2,0,0,0,0|0,1,0]=3 15641 B12R1.100 Cc1cc(cc(n1)C)NCCO 27a_100000210304_100000066820 [0,2,0,0,0,0|2,0,0]=4 15642 B12R1.100 Cc1cc(cc(n1)C)SCCO 62a_100000066820_100000211926 [0,2,0,0,0,0|1,1,0]=4 15643 B12R1.100 Cc1cc(cc(n1)C)SCCO 62a_100000211926_100000066820 [0,2,0,0,0,0|1,1,0]=4 15644 B12R1.100 Cc1cc(cc(n1)Cl)NCCO 27a_100000210304_100010068023 [0,2,0,0,0,0|2,0,0]=4 15645 B12R1.100 Cc1cc(cc(n1)Cl)SCCO 62a_100000211926_100010068023 [0,2,0,0,0,0|1,1,0]=4 15646 B12R1.100 Cc1cc(cc(n1)Cl)SCCO 62a_100010068023_100000211926 [0,2,0,0,0,0|1,1,0]=4 15647 B12R1.100 Cc1cc(cc(n1)F)NCCO 27a_100000210304_100010006595 [0,2,0,0,0,0|2,0,0]=4 15648 B12R1.100 Cc1cc(cc(n1)F)SCCO 62a_100000211926_100010006595 [0,2,0,0,0,0|1,1,0]=4 15649 B12R1.100 Cc1cc(cc(n1)F)SCCO 62a_100010006595_100000211926 [0,2,0,0,0,0|1,1,0]=4 15650 B12R1.100 Cc1cc(cc(n1)N)SCCO 62a_100000076705_100000211926 [0,2,0,0,0,0|1,1,0]=4 15651 B12R1.100 Cc1cc(cc(n1)N)SCCO 62a_100000211926_100000076705 [0,2,0,0,0,0|1,1,0]=4 15652 B12R1.100 Cc1cc(cc(n1)SCCO)N 62a_100000071261_100000211926 [0,2,0,0,0,0|1,1,0]=4 15653 B12R1.100 Cc1cc(cc(n1)SCCO)N 62a_100000211926_100000071261 [0,2,0,0,0,0|1,1,0]=4 15654 B12R1.100 Cc1cc(nc(c1)NCCO)C 27a_100000210304_100000069240 [0,2,0,0,0,0|2,0,0]=4 15655 B12R1.100 Cc1cc(nc(c1)NCCO)F 27a_100000210304_100009819601 [0,2,0,0,0,0|2,0,0]=4 15656 B12R1.100 Cc1cc(nc(c1)SCCO)C 62a_100000069240_100000211926 [0,2,0,0,0,0|1,1,0]=4 15657 B12R1.100 Cc1cc(nc(c1)SCCO)C 62a_100000211926_100000069240 [0,2,0,0,0,0|1,1,0]=4 15658 B12R1.100 Cc1cc(nc(c1)SCCO)F 62a_100000211926_100009819601 [0,2,0,0,0,0|1,1,0]=4 15659 B12R1.100 Cc1cc(nc(c1)SCCO)F 62a_100009819601_100000211926 [0,2,0,0,0,0|1,1,0]=4 15660 B12R1.100 Cc1cc(nc(c1)SCCO)N 62a_100000211926_100009819863 [0,2,0,0,0,0|1,1,0]=4 15661 B12R1.100 Cc1cc(nc(c1)SCCO)N 62a_100009819863_100000211926 [0,2,0,0,0,0|1,1,0]=4 15662 B12R1.100 FCCNc1cc(cc(c1)Br)Br 34a_100012047176_100011217306 [0,2,0,0,0,0|2,0,0]=4 15663 B12R1.100 FCCNc1cc(cc(c1)Br)Br 7a_100012047176_100011217306 [0,2,0,0,0,0|2,0,0]=4 15664 B12R1.100 FCCNc1cc(cc(c1)Br)Cl 34a_100011934539_100011217306 [0,2,0,0,0,0|2,0,0]=4 15665 B12R1.100 FCCNc1cc(cc(c1)Br)Cl 7a_100011934539_100011217306 [0,2,0,0,0,0|2,0,0]=4 15666 B12R1.100 FCCNc1cc(cc(c1)Br)F 34a_100000705686_100011217306 [0,2,0,0,0,0|2,0,0]=4 15667 B12R1.100 FCCNc1cc(cc(c1)Br)F 7a_100000705686_100011217306 [0,2,0,0,0,0|2,0,0]=4 15668 B12R1.100 FCCNc1cc(cc(c1)Cl)Cl 34a_100000210456_100011217306 [0,2,0,0,0,0|2,0,0]=4 15669 B12R1.100 FCCNc1cc(cc(c1)Cl)Cl 7a_100000210456_100011217306 [0,2,0,0,0,0|2,0,0]=4 15670 B12R1.100 FCCNc1cc(cc(c1)Cl)F 34a_100000686136_100011217306 [0,2,0,0,0,0|2,0,0]=4 15671 B12R1.100 FCCNc1cc(cc(c1)Cl)F 7a_100000686136_100011217306 [0,2,0,0,0,0|2,0,0]=4 15672 B12R1.100 FCCNc1cc(cc(c1)F)F 34a_100000233717_100011217306 [0,2,0,0,0,0|2,0,0]=4 15673 B12R1.100 FCCNc1cc(cc(c1)F)F 7a_100000233717_100011217306 [0,2,0,0,0,0|2,0,0]=4 15674 B12R1.100 FCCNc1cc(cc(c1)I)Br 7a_100009814763_100011217306 [0,2,0,0,0,0|2,0,0]=4 15675 B12R1.100 FCCNc1cc(cc(c1)I)Cl 7a_100010147676_100011217306 [0,2,0,0,0,0|2,0,0]=4 15676 B12R1.100 FCCNc1cc(cc(c1)I)F 34a_100011356972_100011217306 [0,2,0,0,0,0|2,0,0]=4 15677 B12R1.100 FCCNc1cc(cc(c1)I)F 7a_100011356972_100011217306 [0,2,0,0,0,0|2,0,0]=4 15678 B12R1.100 FCCNc1cc(cc(c1)I)I 7a_200000696836_100011217306 [0,2,0,0,0,0|2,0,0]=4 15679 B12R1.100 FCCOc1cc(cc(c1)Br)Br 34a_100010167048_100011217306 [0,2,0,0,0,0|1,0,0]=3 15680 B12R1.100 FCCOc1cc(cc(c1)Br)Br 7a_100010167048_100011217306 [0,2,0,0,0,0|1,0,0]=3 15681 B12R1.100 FCCOc1cc(cc(c1)Br)Cl 34a_100010185897_100011217306 [0,2,0,0,0,0|1,0,0]=3 15682 B12R1.100 FCCOc1cc(cc(c1)Br)Cl 7a_100010185897_100011217306 [0,2,0,0,0,0|1,0,0]=3 15683 B12R1.100 FCCOc1cc(cc(c1)Br)F 34a_100000688818_100011217306 [0,2,0,0,0,0|1,0,0]=3 15684 B12R1.100 FCCOc1cc(cc(c1)Br)F 7a_100000688818_100011217306 [0,2,0,0,0,0|1,0,0]=3 15685 B12R1.100 FCCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100011217306 [0,2,0,0,0,0|1,0,0]=3 15686 B12R1.100 FCCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100011217306 [0,2,0,0,0,0|1,0,0]=3 15687 B12R1.100 FCCOc1cc(cc(c1)Cl)F 34a_100011219751_100011217306 [0,2,0,0,0,0|1,0,0]=3 15688 B12R1.100 FCCOc1cc(cc(c1)Cl)F 7a_100011219751_100011217306 [0,2,0,0,0,0|1,0,0]=3 15689 B12R1.100 FCCOc1cc(cc(c1)F)F 34a_100000747503_100011217306 [0,2,0,0,0,0|1,0,0]=3 15690 B12R1.100 FCCOc1cc(cc(c1)F)F 7a_100000747503_100011217306 [0,2,0,0,0,0|1,0,0]=3 15691 B12R1.100 FCCOc1cc(cc(c1)I)Br 34a_100010068917_100011217306 [0,2,0,0,0,0|1,0,0]=3 15692 B12R1.100 FCCOc1cc(cc(c1)I)Br 7a_100010068917_100011217306 [0,2,0,0,0,0|1,0,0]=3 15693 B12R1.100 FCCOc1cc(cc(c1)I)Cl 34a_100010068924_100011217306 [0,2,0,0,0,0|1,0,0]=3 15694 B12R1.100 FCCOc1cc(cc(c1)I)Cl 7a_100010068924_100011217306 [0,2,0,0,0,0|1,0,0]=3 15695 B12R1.100 FCCOc1cc(cc(c1)I)F 34a_100000717995_100011217306 [0,2,0,0,0,0|1,0,0]=3 15696 B12R1.100 FCCOc1cc(cc(c1)I)F 7a_100000717995_100011217306 [0,2,0,0,0,0|1,0,0]=3 15697 B12R1.100 FCCOc1cc(nc(c1)Br)Br 34a_100010172823_100011217306 [0,2,0,0,0,0|2,0,0]=4 15698 B12R1.100 FCCOc1cc(nc(c1)Br)Br 7a_100010172823_100011217306 [0,2,0,0,0,0|2,0,0]=4 15699 B12R1.100 FCCSc1cc(cc(c1)Br)Br 62a_100009814770_100011217306 [0,2,0,0,0,0|1,1,0]=4 15700 B12R1.100 FCCSc1cc(cc(c1)Br)Br 62a_100011217306_100009814770 [0,2,0,0,0,0|1,1,0]=4 15701 B12R1.100 FCCSc1cc(cc(c1)Br)Cl 62a_100009814755_100011217306 [0,2,0,0,0,0|1,1,0]=4 15702 B12R1.100 FCCSc1cc(cc(c1)Br)Cl 62a_100011217306_100009814755 [0,2,0,0,0,0|1,1,0]=4 15703 B12R1.100 FCCSc1cc(cc(c1)Br)F 62a_100009814764_100011217306 [0,2,0,0,0,0|1,1,0]=4 15704 B12R1.100 FCCSc1cc(cc(c1)Br)F 62a_100011217306_100009814764 [0,2,0,0,0,0|1,1,0]=4 15705 B12R1.100 FCCSc1cc(cc(c1)Cl)Cl 62a_100000747138_100011217306 [0,2,0,0,0,0|1,1,0]=4 15706 B12R1.100 FCCSc1cc(cc(c1)Cl)Cl 62a_100011217306_100000747138 [0,2,0,0,0,0|1,1,0]=4 15707 B12R1.100 FCCSc1cc(cc(c1)Cl)F 62a_100011217306_100013859453 [0,2,0,0,0,0|1,1,0]=4 15708 B12R1.100 FCCSc1cc(cc(c1)Cl)F 62a_100013859453_100011217306 [0,2,0,0,0,0|1,1,0]=4 15709 B12R1.100 FCCSc1cc(cc(c1)F)F 62a_100000233788_100011217306 [0,2,0,0,0,0|1,1,0]=4 15710 B12R1.100 FCCSc1cc(cc(c1)F)F 62a_100011217306_100000233788 [0,2,0,0,0,0|1,1,0]=4 15711 B12R1.100 N#CCOc1cc(cc(c1)Br)Br 7a_100010167048_100011215382 [0,2,0,0,0,0|1,0,1]=4 15712 B12R1.100 N#CCOc1cc(cc(c1)Br)Cl 7a_100010185897_100011215382 [0,2,0,0,0,0|1,0,1]=4 15713 B12R1.100 N#CCOc1cc(cc(c1)Br)F 7a_100000688818_100011215382 [0,2,0,0,0,0|1,0,1]=4 15714 B12R1.100 N#CCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100011215382 [0,2,0,0,0,0|1,0,1]=4 15715 B12R1.100 N#CCOc1cc(cc(c1)Cl)F 7a_100011219751_100011215382 [0,2,0,0,0,0|1,0,1]=4 15716 B12R1.100 N#CCOc1cc(cc(c1)Cl)N 7a_100000123917_100011215382 [0,2,0,0,0,0|1,0,1]=4 15717 B12R1.100 N#CCOc1cc(cc(c1)F)F 7a_100000747503_100011215382 [0,2,0,0,0,0|1,0,1]=4 15718 B12R1.100 N#CCOc1cc(cc(c1)I)Br 7a_100010068917_100011215382 [0,2,0,0,0,0|1,0,1]=4 15719 B12R1.100 N#CCOc1cc(cc(c1)I)Cl 7a_100010068924_100011215382 [0,2,0,0,0,0|1,0,1]=4 15720 B12R1.100 N#CCOc1cc(cc(c1)I)F 7a_100000717995_100011215382 [0,2,0,0,0,0|1,0,1]=4 15721 B12R1.100 Nc1cc(cc(c1)OCC=O)Cl 34a_100000123917_200009817547 [0,2,0,0,0,0|0,0,2]=4 15722 B12R1.100 Nc1cc(cc(c1)OCC=O)Cl 7a_100000123917_200015260668 [0,2,0,0,0,0|0,0,2]=4 15723 B12R1.100 Nc1cc(cc(c1)OCCF)Cl 34a_100000123917_100011217306 [0,2,0,0,0,0|1,0,0]=3 15724 B12R1.100 Nc1cc(cc(c1)OCCF)Cl 7a_100000123917_100011217306 [0,2,0,0,0,0|1,0,0]=3 15725 B12R1.100 Nc1cc(cc(c1)OCCO)Cl 34a_100000123917_100000211926 [0,2,0,0,0,0|0,0,0]=2 15726 B12R1.100 Nc1cc(cc(c1)OCCO)Cl 7a_100000123917_100000211926 [0,2,0,0,0,0|0,0,0]=2 15727 B12R1.100 Nc1cc(cc(c1)SCCF)Br 62a_100009814763_100011217306 [0,2,0,0,0,0|1,1,0]=4 15728 B12R1.100 Nc1cc(cc(c1)SCCF)Br 62a_100011217306_100009814763 [0,2,0,0,0,0|1,1,0]=4 15729 B12R1.100 Nc1cc(cc(c1)SCCF)Cl 62a_100010147676_100011217306 [0,2,0,0,0,0|1,1,0]=4 15730 B12R1.100 Nc1cc(cc(c1)SCCF)Cl 62a_100011217306_100010147676 [0,2,0,0,0,0|1,1,0]=4 15731 B12R1.100 Nc1cc(cc(c1)SCCF)F 62a_100011217306_100011356972 [0,2,0,0,0,0|1,1,0]=4 15732 B12R1.100 Nc1cc(cc(c1)SCCF)F 62a_100011356972_100011217306 [0,2,0,0,0,0|1,1,0]=4 15733 B12R1.100 Nc1cc(cc(c1)SCCF)N 62a_100011217306_100011999608 [0,2,0,0,0,0|1,1,0]=4 15734 B12R1.100 Nc1cc(cc(c1)SCCF)N 62a_100011999608_100011217306 [0,2,0,0,0,0|1,1,0]=4 15735 B12R1.100 Nc1cc(cc(c1)SCCO)Br 62a_100000211926_100009814763 [0,2,0,0,0,0|0,1,0]=3 15736 B12R1.100 Nc1cc(cc(c1)SCCO)Br 62a_100009814763_100000211926 [0,2,0,0,0,0|0,1,0]=3 15737 B12R1.100 Nc1cc(cc(c1)SCCO)Cl 62a_100000211926_100010147676 [0,2,0,0,0,0|0,1,0]=3 15738 B12R1.100 Nc1cc(cc(c1)SCCO)Cl 62a_100010147676_100000211926 [0,2,0,0,0,0|0,1,0]=3 15739 B12R1.100 Nc1cc(cc(c1)SCCO)F 62a_100000211926_100011356972 [0,2,0,0,0,0|0,1,0]=3 15740 B12R1.100 Nc1cc(cc(c1)SCCO)F 62a_100011356972_100000211926 [0,2,0,0,0,0|0,1,0]=3 15741 B12R1.100 Nc1cc(cc(c1)SCCO)N 62a_100000211926_100011999608 [0,2,0,0,0,0|0,1,0]=3 15742 B12R1.100 Nc1cc(cc(c1)SCCO)N 62a_100011999608_100000211926 [0,2,0,0,0,0|0,1,0]=3 15743 B12R1.100 Nc1cc(cc(n1)Cl)SCCO 62a_100000211926_200011084131 [0,2,0,0,0,0|1,1,0]=4 15744 B12R1.100 Nc1cc(cc(n1)Cl)SCCO 62a_200011084131_100000211926 [0,2,0,0,0,0|1,1,0]=4 15745 B12R1.100 Nc1cc(cc(n1)N)SCCO 62a_100009816676_100000211926 [0,2,0,0,0,0|1,1,0]=4 15746 B12R1.100 Nc1cc(nc(c1)SCCO)O 62a_100000211926_200012179554 [0,2,0,0,0,0|1,1,0]=4 15747 B12R1.100 O=CCOc1cc(cc(c1)Br)Br 34a_100010167048_200009817547 [0,2,0,0,0,0|0,0,2]=4 15748 B12R1.100 O=CCOc1cc(cc(c1)Br)Br 7a_100010167048_200015260668 [0,2,0,0,0,0|0,0,2]=4 15749 B12R1.100 O=CCOc1cc(cc(c1)Br)Cl 34a_100010185897_200009817547 [0,2,0,0,0,0|0,0,2]=4 15750 B12R1.100 O=CCOc1cc(cc(c1)Br)Cl 7a_100010185897_200015260668 [0,2,0,0,0,0|0,0,2]=4 15751 B12R1.100 O=CCOc1cc(cc(c1)Br)F 34a_100000688818_200009817547 [0,2,0,0,0,0|0,0,2]=4 15752 B12R1.100 O=CCOc1cc(cc(c1)Br)F 7a_100000688818_200015260668 [0,2,0,0,0,0|0,0,2]=4 15753 B12R1.100 O=CCOc1cc(cc(c1)Cl)Cl 34a_100000181315_200009817547 [0,2,0,0,0,0|0,0,2]=4 15754 B12R1.100 O=CCOc1cc(cc(c1)Cl)Cl 7a_100000181315_200015260668 [0,2,0,0,0,0|0,0,2]=4 15755 B12R1.100 O=CCOc1cc(cc(c1)Cl)F 34a_100011219751_200009817547 [0,2,0,0,0,0|0,0,2]=4 15756 B12R1.100 O=CCOc1cc(cc(c1)Cl)F 7a_100011219751_200015260668 [0,2,0,0,0,0|0,0,2]=4 15757 B12R1.100 O=CCOc1cc(cc(c1)F)F 34a_100000747503_200009817547 [0,2,0,0,0,0|0,0,2]=4 15758 B12R1.100 O=CCOc1cc(cc(c1)F)F 7a_100000747503_200015260668 [0,2,0,0,0,0|0,0,2]=4 15759 B12R1.100 O=CCOc1cc(cc(c1)I)Br 34a_100010068917_200009817547 [0,2,0,0,0,0|0,0,2]=4 15760 B12R1.100 O=CCOc1cc(cc(c1)I)Br 7a_100010068917_200015260668 [0,2,0,0,0,0|0,0,2]=4 15761 B12R1.100 O=CCOc1cc(cc(c1)I)Cl 34a_100010068924_200009817547 [0,2,0,0,0,0|0,0,2]=4 15762 B12R1.100 O=CCOc1cc(cc(c1)I)Cl 7a_100010068924_200015260668 [0,2,0,0,0,0|0,0,2]=4 15763 B12R1.100 O=CCOc1cc(cc(c1)I)F 34a_100000717995_200009817547 [0,2,0,0,0,0|0,0,2]=4 15764 B12R1.100 O=CCOc1cc(cc(c1)I)F 7a_100000717995_200015260668 [0,2,0,0,0,0|0,0,2]=4 15765 B12R1.100 OCCNc1cc(cc(c1)Br)Br 27a_100000210304_100009814770 [0,2,0,0,0,0|1,0,0]=3 15766 B12R1.100 OCCNc1cc(cc(c1)Br)Br 34a_100012047176_100000211926 [0,2,0,0,0,0|1,0,0]=3 15767 B12R1.100 OCCNc1cc(cc(c1)Br)Br 7a_100012047176_100000211926 [0,2,0,0,0,0|1,0,0]=3 15768 B12R1.100 OCCNc1cc(cc(c1)Br)Cl 34a_100011934539_100000211926 [0,2,0,0,0,0|1,0,0]=3 15769 B12R1.100 OCCNc1cc(cc(c1)Br)Cl 7a_100011934539_100000211926 [0,2,0,0,0,0|1,0,0]=3 15770 B12R1.100 OCCNc1cc(cc(c1)Br)F 34a_100000705686_100000211926 [0,2,0,0,0,0|1,0,0]=3 15771 B12R1.100 OCCNc1cc(cc(c1)Br)F 7a_100000705686_100000211926 [0,2,0,0,0,0|1,0,0]=3 15772 B12R1.100 OCCNc1cc(cc(c1)Cl)Cl 34a_100000210456_100000211926 [0,2,0,0,0,0|1,0,0]=3 15773 B12R1.100 OCCNc1cc(cc(c1)Cl)Cl 7a_100000210456_100000211926 [0,2,0,0,0,0|1,0,0]=3 15774 B12R1.100 OCCNc1cc(cc(c1)Cl)F 34a_100000686136_100000211926 [0,2,0,0,0,0|1,0,0]=3 15775 B12R1.100 OCCNc1cc(cc(c1)Cl)F 7a_100000686136_100000211926 [0,2,0,0,0,0|1,0,0]=3 15776 B12R1.100 OCCNc1cc(cc(c1)Cl)O 34a_100000123917_100000211926 [0,2,0,0,0,0|1,0,0]=3 15777 B12R1.100 OCCNc1cc(cc(c1)Cl)O 7a_100000123917_100000211926 [0,2,0,0,0,0|1,0,0]=3 15778 B12R1.100 OCCNc1cc(cc(c1)F)F 34a_100000233717_100000211926 [0,2,0,0,0,0|1,0,0]=3 15779 B12R1.100 OCCNc1cc(cc(c1)F)F 7a_100000233717_100000211926 [0,2,0,0,0,0|1,0,0]=3 15780 B12R1.100 OCCNc1cc(cc(c1)I)Br 7a_100009814763_100000211926 [0,2,0,0,0,0|1,0,0]=3 15781 B12R1.100 OCCNc1cc(cc(c1)I)Cl 7a_100010147676_100000211926 [0,2,0,0,0,0|1,0,0]=3 15782 B12R1.100 OCCNc1cc(cc(c1)I)F 34a_100011356972_100000211926 [0,2,0,0,0,0|1,0,0]=3 15783 B12R1.100 OCCNc1cc(cc(c1)I)F 7a_100011356972_100000211926 [0,2,0,0,0,0|1,0,0]=3 15784 B12R1.100 OCCNc1cc(cc(c1)I)I 7a_200000696836_100000211926 [0,2,0,0,0,0|1,0,0]=3 15785 B12R1.100 OCCNc1cc(cc(c1)O)O 34a_100000043371_100000211926 [0,2,0,0,0,0|1,0,0]=3 15786 B12R1.100 OCCNc1cc(nc(c1)Cl)F 27a_100000210304_100011069727 [0,2,0,0,0,0|2,0,0]=4 15787 B12R1.100 OCCNc1cc(nc(c1)F)F 27a_100000210304_100000049587 [0,2,0,0,0,0|2,0,0]=4 15788 B12R1.100 OCCOc1cc(cc(c1)Br)Br 34a_100010167048_100000211926 [0,2,0,0,0,0|0,0,0]=2 15789 B12R1.100 OCCOc1cc(cc(c1)Br)Br 7a_100010167048_100000211926 [0,2,0,0,0,0|0,0,0]=2 15790 B12R1.100 OCCOc1cc(cc(c1)Br)Cl 34a_100010185897_100000211926 [0,2,0,0,0,0|0,0,0]=2 15791 B12R1.100 OCCOc1cc(cc(c1)Br)Cl 7a_100010185897_100000211926 [0,2,0,0,0,0|0,0,0]=2 15792 B12R1.100 OCCOc1cc(cc(c1)Br)F 34a_100000688818_100000211926 [0,2,0,0,0,0|0,0,0]=2 15793 B12R1.100 OCCOc1cc(cc(c1)Br)F 7a_100000688818_100000211926 [0,2,0,0,0,0|0,0,0]=2 15794 B12R1.100 OCCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100000211926 [0,2,0,0,0,0|0,0,0]=2 15795 B12R1.100 OCCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100000211926 [0,2,0,0,0,0|0,0,0]=2 15796 B12R1.100 OCCOc1cc(cc(c1)Cl)F 34a_100011219751_100000211926 [0,2,0,0,0,0|0,0,0]=2 15797 B12R1.100 OCCOc1cc(cc(c1)Cl)F 7a_100011219751_100000211926 [0,2,0,0,0,0|0,0,0]=2 15798 B12R1.100 OCCOc1cc(cc(c1)F)F 34a_100000747503_100000211926 [0,2,0,0,0,0|0,0,0]=2 15799 B12R1.100 OCCOc1cc(cc(c1)F)F 7a_100000747503_100000211926 [0,2,0,0,0,0|0,0,0]=2 15800 B12R1.100 OCCOc1cc(cc(c1)I)Br 34a_100010068917_100000211926 [0,2,0,0,0,0|0,0,0]=2 15801 B12R1.100 OCCOc1cc(cc(c1)I)Br 7a_100010068917_100000211926 [0,2,0,0,0,0|0,0,0]=2 15802 B12R1.100 OCCOc1cc(cc(c1)I)Cl 34a_100010068924_100000211926 [0,2,0,0,0,0|0,0,0]=2 15803 B12R1.100 OCCOc1cc(cc(c1)I)Cl 7a_100010068924_100000211926 [0,2,0,0,0,0|0,0,0]=2 15804 B12R1.100 OCCOc1cc(cc(c1)I)F 34a_100000717995_100000211926 [0,2,0,0,0,0|0,0,0]=2 15805 B12R1.100 OCCOc1cc(cc(c1)I)F 7a_100000717995_100000211926 [0,2,0,0,0,0|0,0,0]=2 15806 B12R1.100 OCCOc1cc(nc(c1)Br)Br 34a_100010172823_100000211926 [0,2,0,0,0,0|1,0,0]=3 15807 B12R1.100 OCCOc1cc(nc(c1)Br)Br 7a_100010172823_100000211926 [0,2,0,0,0,0|1,0,0]=3 15808 B12R1.100 OCCSc1cc(cc(c1)Br)Br 62a_100000211926_100009814770 [0,2,0,0,0,0|0,1,0]=3 15809 B12R1.100 OCCSc1cc(cc(c1)Br)Br 62a_100009814770_100000211926 [0,2,0,0,0,0|0,1,0]=3 15810 B12R1.100 OCCSc1cc(cc(c1)Br)Cl 62a_100000211926_100009814755 [0,2,0,0,0,0|0,1,0]=3 15811 B12R1.100 OCCSc1cc(cc(c1)Br)Cl 62a_100009814755_100000211926 [0,2,0,0,0,0|0,1,0]=3 15812 B12R1.100 OCCSc1cc(cc(c1)Br)F 62a_100000211926_100009814764 [0,2,0,0,0,0|0,1,0]=3 15813 B12R1.100 OCCSc1cc(cc(c1)Br)F 62a_100009814764_100000211926 [0,2,0,0,0,0|0,1,0]=3 15814 B12R1.100 OCCSc1cc(cc(c1)Br)O 62a_100000211926_100010068917 [0,2,0,0,0,0|0,1,0]=3 15815 B12R1.100 OCCSc1cc(cc(c1)Br)O 62a_100010068917_100000211926 [0,2,0,0,0,0|0,1,0]=3 15816 B12R1.100 OCCSc1cc(cc(c1)Cl)Cl 62a_100000211926_100000747138 [0,2,0,0,0,0|0,1,0]=3 15817 B12R1.100 OCCSc1cc(cc(c1)Cl)Cl 62a_100000747138_100000211926 [0,2,0,0,0,0|0,1,0]=3 15818 B12R1.100 OCCSc1cc(cc(c1)Cl)F 62a_100000211926_100013859453 [0,2,0,0,0,0|0,1,0]=3 15819 B12R1.100 OCCSc1cc(cc(c1)Cl)F 62a_100013859453_100000211926 [0,2,0,0,0,0|0,1,0]=3 15820 B12R1.100 OCCSc1cc(cc(c1)Cl)O 62a_100000211926_100010068924 [0,2,0,0,0,0|0,1,0]=3 15821 B12R1.100 OCCSc1cc(cc(c1)Cl)O 62a_100010068924_100000211926 [0,2,0,0,0,0|0,1,0]=3 15822 B12R1.100 OCCSc1cc(cc(c1)F)F 62a_100000211926_100000233788 [0,2,0,0,0,0|0,1,0]=3 15823 B12R1.100 OCCSc1cc(cc(c1)F)F 62a_100000233788_100000211926 [0,2,0,0,0,0|0,1,0]=3 15824 B12R1.100 OCCSc1cc(cc(c1)F)O 62a_100000211926_100000688818 [0,2,0,0,0,0|0,1,0]=3 15825 B12R1.100 OCCSc1cc(cc(c1)F)O 62a_100000688818_100000211926 [0,2,0,0,0,0|0,1,0]=3 15826 B12R1.100 OCCSc1cc(cc(c1)O)O 62a_100000211926_100009868816 [0,2,0,0,0,0|0,1,0]=3 15827 B12R1.100 OCCSc1cc(nc(c1)Cl)Cl 62a_100000062418_100000211926 [0,2,0,0,0,0|1,1,0]=4 15828 B12R1.100 OCCSc1cc(nc(c1)Cl)Cl 62a_100000211926_100000062418 [0,2,0,0,0,0|1,1,0]=4 15829 B12R1.100 OCCSc1cc(nc(c1)Cl)F 62a_100000211926_100011069727 [0,2,0,0,0,0|1,1,0]=4 15830 B12R1.100 OCCSc1cc(nc(c1)Cl)F 62a_100011069727_100000211926 [0,2,0,0,0,0|1,1,0]=4 15831 B12R1.100 OCCSc1cc(nc(c1)F)F 62a_100000049587_100000211926 [0,2,0,0,0,0|1,1,0]=4 15832 B12R1.100 OCCSc1cc(nc(c1)F)F 62a_100000211926_100000049587 [0,2,0,0,0,0|1,1,0]=4 15833 B12R1.100 Oc1cc(cc(c1)NCCF)Cl 34a_100000123917_100011217306 [0,2,0,0,0,0|2,0,0]=4 15834 B12R1.100 Oc1cc(cc(c1)NCCF)Cl 7a_100000123917_100011217306 [0,2,0,0,0,0|2,0,0]=4 15835 B12R1.100 Oc1cc(cc(c1)NCCF)O 34a_100000043371_100011217306 [0,2,0,0,0,0|2,0,0]=4 15836 B12R1.100 Oc1cc(cc(c1)SCCF)Br 62a_100010068917_100011217306 [0,2,0,0,0,0|1,1,0]=4 15837 B12R1.100 Oc1cc(cc(c1)SCCF)Br 62a_100011217306_100010068917 [0,2,0,0,0,0|1,1,0]=4 15838 B12R1.100 Oc1cc(cc(c1)SCCF)Cl 62a_100010068924_100011217306 [0,2,0,0,0,0|1,1,0]=4 15839 B12R1.100 Oc1cc(cc(c1)SCCF)Cl 62a_100011217306_100010068924 [0,2,0,0,0,0|1,1,0]=4 15840 B12R1.100 Oc1cc(cc(c1)SCCF)F 62a_100000688818_100011217306 [0,2,0,0,0,0|1,1,0]=4 15841 B12R1.100 Oc1cc(cc(c1)SCCF)F 62a_100011217306_100000688818 [0,2,0,0,0,0|1,1,0]=4 15842 B12R1.100 Oc1cc(cc(c1)SCCF)O 62a_100011217306_100009868816 [0,2,0,0,0,0|1,1,0]=4 15843 B12R1.226 C=C(C)COc1cccc(c1)Br 34a_100000210342_100000748629 [0,2,0,0,0,0|1,0,1]=4 15844 B12R1.226 C=C(C)COc1cccc(c1)Br 7a_100000210342_100000748629 [0,2,0,0,0,0|1,0,1]=4 15845 B12R1.226 C=C(C)COc1cccc(c1)C 34a_100000210337_100000748629 [0,2,0,0,0,0|1,0,1]=4 15846 B12R1.226 C=C(C)COc1cccc(c1)C 7a_100000210337_100000748629 [0,2,0,0,0,0|1,0,1]=4 15847 B12R1.226 C=C(C)COc1cccc(c1)Cl 34a_100000210295_100000748629 [0,2,0,0,0,0|1,0,1]=4 15848 B12R1.226 C=C(C)COc1cccc(c1)Cl 7a_100000210295_100000748629 [0,2,0,0,0,0|1,0,1]=4 15849 B12R1.226 C=C(C)COc1cccc(c1)F 34a_100000210426_100000748629 [0,2,0,0,0,0|1,0,1]=4 15850 B12R1.226 C=C(C)COc1cccc(c1)F 7a_100000210426_100000748629 [0,2,0,0,0,0|1,0,1]=4 15851 B12R1.226 C=C(C)COc1cccc(c1)I 34a_100000211634_100000748629 [0,2,0,0,0,0|1,0,1]=4 15852 B12R1.226 C=C(C)COc1cccc(c1)I 7a_100000211634_100000748629 [0,2,0,0,0,0|1,0,1]=4 15853 B12R1.226 C=C(C)COc1cccc(c1)N 34a_100000210217_100000748629 [0,2,0,0,0,0|1,0,1]=4 15854 B12R1.226 C=C(F)COc1cccc(c1)Br 34a_100000210342_100009893438 [0,2,0,0,0,0|1,0,1]=4 15855 B12R1.226 C=C(F)COc1cccc(c1)Br 7a_100000210342_100000042424 [0,2,0,0,0,0|1,0,1]=4 15856 B12R1.226 C=C(F)COc1cccc(c1)C 34a_100000210337_100009893438 [0,2,0,0,0,0|1,0,1]=4 15857 B12R1.226 C=C(F)COc1cccc(c1)C 7a_100000210337_100000042424 [0,2,0,0,0,0|1,0,1]=4 15858 B12R1.226 C=C(F)COc1cccc(c1)Cl 34a_100000210295_100009893438 [0,2,0,0,0,0|1,0,1]=4 15859 B12R1.226 C=C(F)COc1cccc(c1)Cl 7a_100000210295_100000042424 [0,2,0,0,0,0|1,0,1]=4 15860 B12R1.226 C=C(F)COc1cccc(c1)F 34a_100000210426_100009893438 [0,2,0,0,0,0|1,0,1]=4 15861 B12R1.226 C=C(F)COc1cccc(c1)F 7a_100000210426_100000042424 [0,2,0,0,0,0|1,0,1]=4 15862 B12R1.226 C=C(F)COc1cccc(c1)I 34a_100000211634_100009893438 [0,2,0,0,0,0|1,0,1]=4 15863 B12R1.226 C=C(F)COc1cccc(c1)I 7a_100000211634_100000042424 [0,2,0,0,0,0|1,0,1]=4 15864 B12R1.226 C=C(F)COc1cccc(c1)N 34a_100000210217_100009893438 [0,2,0,0,0,0|1,0,1]=4 15865 B12R1.226 CC(=O)COc1cccc(c1)Br 1458a_100000182359_200000210301 [0,2,0,0,0,0|0,0,2]=4 15866 B12R1.226 CC(=O)COc1cccc(c1)C 1458a_100000183606_200000210301 [0,2,0,0,0,0|0,0,2]=4 15867 B12R1.226 CC(=O)COc1cccc(c1)Cl 1458a_100000184978_200000210301 [0,2,0,0,0,0|0,0,2]=4 15868 B12R1.226 CC(=O)COc1cccc(c1)F 1458a_100000182781_200000210301 [0,2,0,0,0,0|0,0,2]=4 15869 B12R1.226 CC(C)CNc1cccc(c1)Br 34a_100000210019_100000210624 [0,2,0,0,0,0|2,0,0]=4 15870 B12R1.226 CC(C)CNc1cccc(c1)Cl 34a_100000185859_100000210624 [0,2,0,0,0,0|2,0,0]=4 15871 B12R1.226 CC(C)CNc1cccc(c1)F 34a_100000210047_100000210624 [0,2,0,0,0,0|2,0,0]=4 15872 B12R1.226 CC(C)CNc1cccc(c1)I 34a_100000211102_100000210624 [0,2,0,0,0,0|2,0,0]=4 15873 B12R1.226 CC(C)CNc1cccc(c1)O 34a_100000210217_100000210624 [0,2,0,0,0,0|2,0,0]=4 15874 B12R1.226 CC(C)COc1cc[nH]c(=O)c1 34a_100000032262_100000210624 [0,2,0,0,0,0|2,0,0]=4 15875 B12R1.226 CC(C)COc1ccc[n+](c1)[O-] 34a_100000039713_100000210624 [0,2,0,0,0,0|2,0,0]=4 15876 B12R1.226 CC(C)COc1ccc[n+](c1)[O-] 7a_100000039713_100000210760 [0,2,0,0,0,0|2,0,0]=4 15877 B12R1.226 CC(C)COc1cccc(=O)[nH]1 34a_100000033347_100000210624 [0,2,0,0,0,0|2,0,0]=4 15878 B12R1.226 CC(C)COc1cccc(c1)Br 34a_100000210342_100000210624 [0,2,0,0,0,0|1,0,0]=3 15879 B12R1.226 CC(C)COc1cccc(c1)Br 7a_100000210342_100000210760 [0,2,0,0,0,0|1,0,0]=3 15880 B12R1.226 CC(C)COc1cccc(c1)Cl 34a_100000210295_100000210624 [0,2,0,0,0,0|1,0,0]=3 15881 B12R1.226 CC(C)COc1cccc(c1)Cl 7a_100000210295_100000210760 [0,2,0,0,0,0|1,0,0]=3 15882 B12R1.226 CC(C)COc1cccc(c1)F 34a_100000210426_100000210624 [0,2,0,0,0,0|1,0,0]=3 15883 B12R1.226 CC(C)COc1cccc(c1)F 7a_100000210426_100000210760 [0,2,0,0,0,0|1,0,0]=3 15884 B12R1.226 CC(C)COc1cccc(c1)I 34a_100000211634_100000210624 [0,2,0,0,0,0|1,0,0]=3 15885 B12R1.226 CC(C)COc1cccc(c1)I 7a_100000211634_100000210760 [0,2,0,0,0,0|1,0,0]=3 15886 B12R1.226 CC(C)COc1cccc(c1)N 34a_100000210217_100000210624 [0,2,0,0,0,0|1,0,0]=3 15887 B12R1.226 CC(C)COc1cccc(c1)O 271570a_203496583355_200000170005 [0,2,0,0,0,0|1,0,0]=3 15888 B12R1.226 CC(C)COc1cccc(n1)F 34a_100011432558_100000210624 [0,2,0,0,0,0|2,0,0]=4 15889 B12R1.226 CC(C)COc1ccnc(c1)Cl 34a_100000762945_100000210624 [0,2,0,0,0,0|2,0,0]=4 15890 B12R1.226 CC(C)COc1ccnc(c1)F 34a_100000732698_100000210624 [0,2,0,0,0,0|2,0,0]=4 15891 B12R1.226 CC(C)COc1ccnc(c1)N 34a_100011834064_100000210624 [0,2,0,0,0,0|2,0,0]=4 15892 B12R1.226 CC(C)COc1cncc(c1)Br 34a_100000754920_100000210624 [0,2,0,0,0,0|2,0,0]=4 15893 B12R1.226 CC(C)COc1cncc(c1)Br 7a_100000754920_100000210760 [0,2,0,0,0,0|2,0,0]=4 15894 B12R1.226 CC(C)COc1cncc(c1)Cl 7a_100000032511_100000210760 [0,2,0,0,0,0|2,0,0]=4 15895 B12R1.226 CC(C)COc1cncc(c1)F 34a_100011830296_100000210624 [0,2,0,0,0,0|2,0,0]=4 15896 B12R1.226 CC(C)COc1cncc(c1)F 7a_100011830296_100000210760 [0,2,0,0,0,0|2,0,0]=4 15897 B12R1.226 CC(C)COc1cncc(c1)N 34a_100011997051_100000210624 [0,2,0,0,0,0|2,0,0]=4 15898 B12R1.226 CC(C)CSc1cccc(c1)Br 62a_100000210624_100000691529 [0,2,0,0,0,0|1,1,0]=4 15899 B12R1.226 CC(C)CSc1cccc(c1)Br 62a_100000691529_100000210760 [0,2,0,0,0,0|1,1,0]=4 15900 B12R1.226 CC(C)CSc1cccc(c1)Cl 62a_100000210624_100000699651 [0,2,0,0,0,0|1,1,0]=4 15901 B12R1.226 CC(C)CSc1cccc(c1)Cl 62a_100000699651_100000210760 [0,2,0,0,0,0|1,1,0]=4 15902 B12R1.226 CC(C)CSc1cccc(c1)F 62a_100000210624_100000685547 [0,2,0,0,0,0|1,1,0]=4 15903 B12R1.226 CC(C)CSc1cccc(c1)F 62a_100000685547_100000210760 [0,2,0,0,0,0|1,1,0]=4 15904 B12R1.226 CC(C)CSc1cccc(c1)N 62a_100000210019_100000210760 [0,2,0,0,0,0|1,1,0]=4 15905 B12R1.226 CC(C)CSc1cccc(c1)N 62a_100000210624_100000210019 [0,2,0,0,0,0|1,1,0]=4 15906 B12R1.226 CC(C)CSc1cccc(c1)O 62a_100000210624_100000211634 [0,2,0,0,0,0|1,1,0]=4 15907 B12R1.226 CC(C)CSc1cccc(c1)[S] 62a_100000210624_114929384022 [0,2,0,0,0,0|1,1,0]=4 15908 B12R1.226 CC(C)CSc1cccc(c1)[S] 62a_114929384022_100000210760 [0,2,0,0,0,0|1,1,0]=4 15909 B12R1.226 CC(O)C=Cc1cccc(c1)Br 271570a_200011019289_100000691529 [0,2,0,0,0,0|1,0,1]=4 15910 B12R1.226 CC(O)C=Cc1cccc(c1)Cl 271570a_200011019289_100000699651 [0,2,0,0,0,0|1,0,1]=4 15911 B12R1.226 CC(O)C=Cc1cccc(c1)F 271570a_200011019289_100000685547 [0,2,0,0,0,0|1,0,1]=4 15912 B12R1.226 CC(O)C=Cc1cccc(c1)N 271570a_200011019289_100000210019 [0,2,0,0,0,0|1,0,1]=4 15913 B12R1.226 CC(O)C=Cc1cccc(c1)O 271570a_200011019289_100000211634 [0,2,0,0,0,0|1,0,1]=4 15914 B12R1.226 CC(O)C=Cc1cccc(c1)[S] 271570a_200011019289_114929384022 [0,2,0,0,0,0|1,0,1]=4 15915 B12R1.226 CC(O)CNc1cc(ccn1)F 27a_100000210904_100000764206 [0,2,0,0,0,0|2,0,0]=4 15916 B12R1.226 CC(O)CNc1cc[nH]c(=O)c1 27a_100000210904_100000061649 [0,2,0,0,0,0|2,0,0]=4 15917 B12R1.226 CC(O)CNc1cccc(c1)Br 34a_100000210019_100011218427 [0,2,0,0,0,0|1,0,0]=3 15918 B12R1.226 CC(O)CNc1cccc(c1)Cl 34a_100000185859_100011218427 [0,2,0,0,0,0|1,0,0]=3 15919 B12R1.226 CC(O)CNc1cccc(c1)F 34a_100000210047_100011218427 [0,2,0,0,0,0|1,0,0]=3 15920 B12R1.226 CC(O)CNc1cccc(c1)I 34a_100000211102_100011218427 [0,2,0,0,0,0|1,0,0]=3 15921 B12R1.226 CC(O)CNc1cccc(c1)O 34a_100000210217_100011218427 [0,2,0,0,0,0|1,0,0]=3 15922 B12R1.226 CC(O)CNc1cccc(n1)F 27a_100000210904_100009815982 [0,2,0,0,0,0|2,0,0]=4 15923 B12R1.226 CC(O)CNc1ccnc(c1)F 27a_100000210904_100009816116 [0,2,0,0,0,0|2,0,0]=4 15924 B12R1.226 CC(O)COc1cc[nH]c(=O)c1 34a_100000032262_100011218427 [0,2,0,0,0,0|1,0,0]=3 15925 B12R1.226 CC(O)COc1ccc[n+](c1)[O-] 34a_100000039713_100011218427 [0,2,0,0,0,0|1,0,0]=3 15926 B12R1.226 CC(O)COc1ccc[n+](c1)[O-] 7a_100000039713_100011218427 [0,2,0,0,0,0|1,0,0]=3 15927 B12R1.226 CC(O)COc1cccc(=O)[nH]1 34a_100000033347_100011218427 [0,2,0,0,0,0|1,0,0]=3 15928 B12R1.226 CC(O)COc1cccc(c1)Br 34a_100000210342_100011218427 [0,2,0,0,0,0|0,0,0]=2 15929 B12R1.226 CC(O)COc1cccc(c1)Br 7a_100000210342_100011218427 [0,2,0,0,0,0|0,0,0]=2 15930 B12R1.226 CC(O)COc1cccc(c1)Cl 34a_100000210295_100011218427 [0,2,0,0,0,0|0,0,0]=2 15931 B12R1.226 CC(O)COc1cccc(c1)Cl 7a_100000210295_100011218427 [0,2,0,0,0,0|0,0,0]=2 15932 B12R1.226 CC(O)COc1cccc(c1)F 34a_100000210426_100011218427 [0,2,0,0,0,0|0,0,0]=2 15933 B12R1.226 CC(O)COc1cccc(c1)F 7a_100000210426_100011218427 [0,2,0,0,0,0|0,0,0]=2 15934 B12R1.226 CC(O)COc1cccc(c1)I 34a_100000211634_100011218427 [0,2,0,0,0,0|0,0,0]=2 15935 B12R1.226 CC(O)COc1cccc(c1)I 7a_100000211634_100011218427 [0,2,0,0,0,0|0,0,0]=2 15936 B12R1.226 CC(O)COc1cccc(c1)N 34a_100000210217_100011218427 [0,2,0,0,0,0|0,0,0]=2 15937 B12R1.226 CC(O)COc1cccc(n1)F 34a_100011432558_100011218427 [0,2,0,0,0,0|1,0,0]=3 15938 B12R1.226 CC(O)COc1ccnc(c1)Cl 34a_100000762945_100011218427 [0,2,0,0,0,0|1,0,0]=3 15939 B12R1.226 CC(O)COc1ccnc(c1)F 34a_100000732698_100011218427 [0,2,0,0,0,0|1,0,0]=3 15940 B12R1.226 CC(O)COc1ccnc(c1)N 34a_100011834064_100011218427 [0,2,0,0,0,0|1,0,0]=3 15941 B12R1.226 CC(O)COc1cncc(c1)Br 34a_100000754920_100011218427 [0,2,0,0,0,0|1,0,0]=3 15942 B12R1.226 CC(O)COc1cncc(c1)Br 7a_100000754920_100011218427 [0,2,0,0,0,0|1,0,0]=3 15943 B12R1.226 CC(O)COc1cncc(c1)Cl 7a_100000032511_100011218427 [0,2,0,0,0,0|1,0,0]=3 15944 B12R1.226 CC(O)COc1cncc(c1)F 34a_100011830296_100011218427 [0,2,0,0,0,0|1,0,0]=3 15945 B12R1.226 CC(O)COc1cncc(c1)F 7a_100011830296_100011218427 [0,2,0,0,0,0|1,0,0]=3 15946 B12R1.226 CC(O)COc1cncc(c1)N 34a_100011997051_100011218427 [0,2,0,0,0,0|1,0,0]=3 15947 B12R1.226 CC(O)COc1cnnc(c1)Cl 34a_200010734679_100011218427 [0,2,0,0,0,0|2,0,0]=4 15948 B12R1.226 CC(O)COc1cnnc(c1)N 34a_200015193112_100011218427 [0,2,0,0,0,0|2,0,0]=4 15949 B12R1.226 CC(O)CSc1cc(=O)cc[nH]1 62a_100009817434_100011218427 [0,2,0,0,0,0|1,1,0]=4 15950 B12R1.226 CC(O)CSc1cc(ccn1)Cl 62a_100010167805_100011218427 [0,2,0,0,0,0|1,1,0]=4 15951 B12R1.226 CC(O)CSc1cc(ccn1)Cl 62a_100011218427_100010167805 [0,2,0,0,0,0|1,1,0]=4 15952 B12R1.226 CC(O)CSc1cc(ccn1)F 62a_100000764206_100011218427 [0,2,0,0,0,0|1,1,0]=4 15953 B12R1.226 CC(O)CSc1cc(ccn1)F 62a_100011218427_100000764206 [0,2,0,0,0,0|1,1,0]=4 15954 B12R1.226 CC(O)CSc1cc(ccn1)N 62a_100009814236_100011218427 [0,2,0,0,0,0|1,1,0]=4 15955 B12R1.226 CC(O)CSc1cc(ccn1)N 62a_100011218427_100009814236 [0,2,0,0,0,0|1,1,0]=4 15956 B12R1.226 CC(O)CSc1cc(ccn1)O 62a_100011218427_100000762945 [0,2,0,0,0,0|1,1,0]=4 15957 B12R1.226 CC(O)CSc1cc[nH]c(=O)c1 62a_100009816521_100011218427 [0,2,0,0,0,0|1,1,0]=4 15958 B12R1.226 CC(O)CSc1cc[nH]c(=O)c1 62a_100011218427_100009816521 [0,2,0,0,0,0|1,1,0]=4 15959 B12R1.226 CC(O)CSc1ccc[n+](c1)C 62a_100009996589_100011218427 [0,2,0,0,0,0|1,1,0]=4 15960 B12R1.226 CC(O)CSc1ccc[n+](c1)C 62a_100011218427_100009996589 [0,2,0,0,0,0|1,1,0]=4 15961 B12R1.226 CC(O)CSc1ccc[n+](c1)[O-] 62a_100011218427_100009815978 [0,2,0,0,0,0|1,1,0]=4 15962 B12R1.226 CC(O)CSc1cccc(=O)[nH]1 62a_100011218427_100000752884 [0,2,0,0,0,0|1,1,0]=4 15963 B12R1.226 CC(O)CSc1cccc(c1)Br 62a_100000691529_100011218427 [0,2,0,0,0,0|0,1,0]=3 15964 B12R1.226 CC(O)CSc1cccc(c1)Br 62a_100011218427_100000691529 [0,2,0,0,0,0|0,1,0]=3 15965 B12R1.226 CC(O)CSc1cccc(c1)Cl 62a_100000699651_100011218427 [0,2,0,0,0,0|0,1,0]=3 15966 B12R1.226 CC(O)CSc1cccc(c1)Cl 62a_100011218427_100000699651 [0,2,0,0,0,0|0,1,0]=3 15967 B12R1.226 CC(O)CSc1cccc(c1)F 62a_100000685547_100011218427 [0,2,0,0,0,0|0,1,0]=3 15968 B12R1.226 CC(O)CSc1cccc(c1)F 62a_100011218427_100000685547 [0,2,0,0,0,0|0,1,0]=3 15969 B12R1.226 CC(O)CSc1cccc(c1)N 62a_100000210019_100011218427 [0,2,0,0,0,0|0,1,0]=3 15970 B12R1.226 CC(O)CSc1cccc(c1)N 62a_100011218427_100000210019 [0,2,0,0,0,0|0,1,0]=3 15971 B12R1.226 CC(O)CSc1cccc(c1)O 62a_100011218427_100000211634 [0,2,0,0,0,0|0,1,0]=3 15972 B12R1.226 CC(O)CSc1cccc(c1)[S] 62a_100011218427_114929384022 [0,2,0,0,0,0|0,1,0]=3 15973 B12R1.226 CC(O)CSc1cccc(c1)[S] 62a_114929384022_100011218427 [0,2,0,0,0,0|0,1,0]=3 15974 B12R1.226 CC(O)CSc1cccc(n1)Br 62a_100000684672_100011218427 [0,2,0,0,0,0|1,1,0]=4 15975 B12R1.226 CC(O)CSc1cccc(n1)Br 62a_100011218427_100000684672 [0,2,0,0,0,0|1,1,0]=4 15976 B12R1.226 CC(O)CSc1cccc(n1)Cl 62a_100000051397_100011218427 [0,2,0,0,0,0|1,1,0]=4 15977 B12R1.226 CC(O)CSc1cccc(n1)Cl 62a_100011218427_100000051397 [0,2,0,0,0,0|1,1,0]=4 15978 B12R1.226 CC(O)CSc1cccc(n1)F 62a_100009815982_100011218427 [0,2,0,0,0,0|1,1,0]=4 15979 B12R1.226 CC(O)CSc1cccc(n1)F 62a_100011218427_100009815982 [0,2,0,0,0,0|1,1,0]=4 15980 B12R1.226 CC(O)CSc1cccc(n1)N 62a_100000740741_100011218427 [0,2,0,0,0,0|1,1,0]=4 15981 B12R1.226 CC(O)CSc1cccc(n1)N 62a_100011218427_100000740741 [0,2,0,0,0,0|1,1,0]=4 15982 B12R1.226 CC(O)CSc1ccnc(c1)Br 62a_100009814637_100011218427 [0,2,0,0,0,0|1,1,0]=4 15983 B12R1.226 CC(O)CSc1ccnc(c1)Br 62a_100011218427_100009814637 [0,2,0,0,0,0|1,1,0]=4 15984 B12R1.226 CC(O)CSc1ccnc(c1)Cl 62a_100000035001_100011218427 [0,2,0,0,0,0|1,1,0]=4 15985 B12R1.226 CC(O)CSc1ccnc(c1)Cl 62a_100011218427_100000035001 [0,2,0,0,0,0|1,1,0]=4 15986 B12R1.226 CC(O)CSc1ccnc(c1)F 62a_100009816116_100011218427 [0,2,0,0,0,0|1,1,0]=4 15987 B12R1.226 CC(O)CSc1ccnc(c1)F 62a_100011218427_100009816116 [0,2,0,0,0,0|1,1,0]=4 15988 B12R1.226 CC(O)CSc1ccnc(c1)N 62a_100000049665_100011218427 [0,2,0,0,0,0|1,1,0]=4 15989 B12R1.226 CC(O)CSc1ccnc(c1)N 62a_100011218427_100000049665 [0,2,0,0,0,0|1,1,0]=4 15990 B12R1.226 CC(O)CSc1cncc(c1)Br 62a_100000728054_100011218427 [0,2,0,0,0,0|1,1,0]=4 15991 B12R1.226 CC(O)CSc1cncc(c1)Br 62a_100011218427_100000728054 [0,2,0,0,0,0|1,1,0]=4 15992 B12R1.226 CC(O)CSc1cncc(c1)Cl 62a_100000049639_100011218427 [0,2,0,0,0,0|1,1,0]=4 15993 B12R1.226 CC(O)CSc1cncc(c1)Cl 62a_100011218427_100000049639 [0,2,0,0,0,0|1,1,0]=4 15994 B12R1.226 CC(O)CSc1cncc(c1)F 62a_100000744099_100011218427 [0,2,0,0,0,0|1,1,0]=4 15995 B12R1.226 CC(O)CSc1cncc(c1)F 62a_100011218427_100000744099 [0,2,0,0,0,0|1,1,0]=4 15996 B12R1.226 CC(O)CSc1cncc(c1)N 62a_100000687067_100011218427 [0,2,0,0,0,0|1,1,0]=4 15997 B12R1.226 CC(O)CSc1cncc(c1)N 62a_100011218427_100000687067 [0,2,0,0,0,0|1,1,0]=4 15998 B12R1.226 CC(O)CSc1cncc(c1)O 62a_100000754920_100011218427 [0,2,0,0,0,0|1,1,0]=4 15999 B12R1.226 CC(O)CSc1cncc(c1)O 62a_100011218427_100000754920 [0,2,0,0,0,0|1,1,0]=4 16000 B12R1.226 C[C@@H](O)CNc1cccc(c1)Br 34a_100000210019_100009817552 [0,2,0,0,0,0|1,0,0]=3 16001 B12R1.226 C[C@@H](O)CNc1cccc(c1)Cl 34a_100000185859_100009817552 [0,2,0,0,0,0|1,0,0]=3 16002 B12R1.226 C[C@@H](O)CNc1cccc(c1)F 34a_100000210047_100009817552 [0,2,0,0,0,0|1,0,0]=3 16003 B12R1.226 C[C@@H](O)CNc1cccc(c1)I 34a_100000211102_100009817552 [0,2,0,0,0,0|1,0,0]=3 16004 B12R1.226 C[C@@H](O)CNc1cccc(c1)O 34a_100000210217_100009817552 [0,2,0,0,0,0|1,0,0]=3 16005 B12R1.226 C[C@@H](O)COc1cc[nH]c(=O)c1 34a_100000032262_100009817552 [0,2,0,0,0,0|1,0,0]=3 16006 B12R1.226 C[C@@H](O)COc1ccc[n+](c1)[O-] 34a_100000039713_100009817552 [0,2,0,0,0,0|1,0,0]=3 16007 B12R1.226 C[C@@H](O)COc1ccc[n+](c1)[O-] 7a_100000039713_100009817552 [0,2,0,0,0,0|1,0,0]=3 16008 B12R1.226 C[C@@H](O)COc1cccc(=O)[nH]1 34a_100000033347_100009817552 [0,2,0,0,0,0|1,0,0]=3 16009 B12R1.226 C[C@@H](O)COc1cccc(c1)Br 34a_100000210342_100009817552 [0,2,0,0,0,0|0,0,0]=2 16010 B12R1.226 C[C@@H](O)COc1cccc(c1)Br 7a_100000210342_100009817552 [0,2,0,0,0,0|0,0,0]=2 16011 B12R1.226 C[C@@H](O)COc1cccc(c1)Cl 34a_100000210295_100009817552 [0,2,0,0,0,0|0,0,0]=2 16012 B12R1.226 C[C@@H](O)COc1cccc(c1)Cl 7a_100000210295_100009817552 [0,2,0,0,0,0|0,0,0]=2 16013 B12R1.226 C[C@@H](O)COc1cccc(c1)F 34a_100000210426_100009817552 [0,2,0,0,0,0|0,0,0]=2 16014 B12R1.226 C[C@@H](O)COc1cccc(c1)F 7a_100000210426_100009817552 [0,2,0,0,0,0|0,0,0]=2 16015 B12R1.226 C[C@@H](O)COc1cccc(c1)I 34a_100000211634_100009817552 [0,2,0,0,0,0|0,0,0]=2 16016 B12R1.226 C[C@@H](O)COc1cccc(c1)I 7a_100000211634_100009817552 [0,2,0,0,0,0|0,0,0]=2 16017 B12R1.226 C[C@@H](O)COc1cccc(c1)N 34a_100000210217_100009817552 [0,2,0,0,0,0|0,0,0]=2 16018 B12R1.226 C[C@@H](O)COc1cccc(n1)F 34a_100011432558_100009817552 [0,2,0,0,0,0|1,0,0]=3 16019 B12R1.226 C[C@@H](O)COc1ccnc(c1)Cl 34a_100000762945_100009817552 [0,2,0,0,0,0|1,0,0]=3 16020 B12R1.226 C[C@@H](O)COc1ccnc(c1)F 34a_100000732698_100009817552 [0,2,0,0,0,0|1,0,0]=3 16021 B12R1.226 C[C@@H](O)COc1ccnc(c1)N 34a_100011834064_100009817552 [0,2,0,0,0,0|1,0,0]=3 16022 B12R1.226 C[C@@H](O)COc1cncc(c1)Br 34a_100000754920_100009817552 [0,2,0,0,0,0|1,0,0]=3 16023 B12R1.226 C[C@@H](O)COc1cncc(c1)Br 7a_100000754920_100009817552 [0,2,0,0,0,0|1,0,0]=3 16024 B12R1.226 C[C@@H](O)COc1cncc(c1)Cl 7a_100000032511_100009817552 [0,2,0,0,0,0|1,0,0]=3 16025 B12R1.226 C[C@@H](O)COc1cncc(c1)F 34a_100011830296_100009817552 [0,2,0,0,0,0|1,0,0]=3 16026 B12R1.226 C[C@@H](O)COc1cncc(c1)F 7a_100011830296_100009817552 [0,2,0,0,0,0|1,0,0]=3 16027 B12R1.226 C[C@@H](O)COc1cncc(c1)N 34a_100011997051_100009817552 [0,2,0,0,0,0|1,0,0]=3 16028 B12R1.226 C[C@@H](O)COc1cnnc(c1)Cl 34a_200010734679_100009817552 [0,2,0,0,0,0|2,0,0]=4 16029 B12R1.226 C[C@@H](O)COc1cnnc(c1)N 34a_200015193112_100009817552 [0,2,0,0,0,0|2,0,0]=4 16030 B12R1.226 C[C@@H](O)CSc1cc(=O)cc[nH]1 62a_100009817434_100009817552 [0,2,0,0,0,0|1,1,0]=4 16031 B12R1.226 C[C@@H](O)CSc1cc(ccn1)Cl 62a_100009817552_100010167805 [0,2,0,0,0,0|1,1,0]=4 16032 B12R1.226 C[C@@H](O)CSc1cc(ccn1)Cl 62a_100010167805_100009817552 [0,2,0,0,0,0|1,1,0]=4 16033 B12R1.226 C[C@@H](O)CSc1cc(ccn1)F 62a_100000764206_100009817552 [0,2,0,0,0,0|1,1,0]=4 16034 B12R1.226 C[C@@H](O)CSc1cc(ccn1)F 62a_100009817552_100000764206 [0,2,0,0,0,0|1,1,0]=4 16035 B12R1.226 C[C@@H](O)CSc1cc(ccn1)N 62a_100009814236_100009817552 [0,2,0,0,0,0|1,1,0]=4 16036 B12R1.226 C[C@@H](O)CSc1cc(ccn1)N 62a_100009817552_100009814236 [0,2,0,0,0,0|1,1,0]=4 16037 B12R1.226 C[C@@H](O)CSc1cc(ccn1)O 62a_100009817552_100000762945 [0,2,0,0,0,0|1,1,0]=4 16038 B12R1.226 C[C@@H](O)CSc1cc[nH]c(=O)c1 62a_100009816521_100009817552 [0,2,0,0,0,0|1,1,0]=4 16039 B12R1.226 C[C@@H](O)CSc1cc[nH]c(=O)c1 62a_100009817552_100009816521 [0,2,0,0,0,0|1,1,0]=4 16040 B12R1.226 C[C@@H](O)CSc1ccc[n+](c1)C 62a_100009817552_100009996589 [0,2,0,0,0,0|1,1,0]=4 16041 B12R1.226 C[C@@H](O)CSc1ccc[n+](c1)C 62a_100009996589_100009817552 [0,2,0,0,0,0|1,1,0]=4 16042 B12R1.226 C[C@@H](O)CSc1ccc[n+](c1)[O-] 62a_100009817552_100009815978 [0,2,0,0,0,0|1,1,0]=4 16043 B12R1.226 C[C@@H](O)CSc1cccc(=O)[nH]1 62a_100009817552_100000752884 [0,2,0,0,0,0|1,1,0]=4 16044 B12R1.226 C[C@@H](O)CSc1cccc(c1)Br 62a_100000691529_100009817552 [0,2,0,0,0,0|0,1,0]=3 16045 B12R1.226 C[C@@H](O)CSc1cccc(c1)Br 62a_100009817552_100000691529 [0,2,0,0,0,0|0,1,0]=3 16046 B12R1.226 C[C@@H](O)CSc1cccc(c1)Cl 62a_100000699651_100009817552 [0,2,0,0,0,0|0,1,0]=3 16047 B12R1.226 C[C@@H](O)CSc1cccc(c1)Cl 62a_100009817552_100000699651 [0,2,0,0,0,0|0,1,0]=3 16048 B12R1.226 C[C@@H](O)CSc1cccc(c1)F 62a_100000685547_100009817552 [0,2,0,0,0,0|0,1,0]=3 16049 B12R1.226 C[C@@H](O)CSc1cccc(c1)F 62a_100009817552_100000685547 [0,2,0,0,0,0|0,1,0]=3 16050 B12R1.226 C[C@@H](O)CSc1cccc(c1)N 62a_100000210019_100009817552 [0,2,0,0,0,0|0,1,0]=3 16051 B12R1.226 C[C@@H](O)CSc1cccc(c1)N 62a_100009817552_100000210019 [0,2,0,0,0,0|0,1,0]=3 16052 B12R1.226 C[C@@H](O)CSc1cccc(c1)O 62a_100009817552_100000211634 [0,2,0,0,0,0|0,1,0]=3 16053 B12R1.226 C[C@@H](O)CSc1cccc(c1)[S] 62a_100009817552_114929384022 [0,2,0,0,0,0|0,1,0]=3 16054 B12R1.226 C[C@@H](O)CSc1cccc(c1)[S] 62a_114929384022_100009817552 [0,2,0,0,0,0|0,1,0]=3 16055 B12R1.226 C[C@@H](O)CSc1cccc(n1)Br 62a_100000684672_100009817552 [0,2,0,0,0,0|1,1,0]=4 16056 B12R1.226 C[C@@H](O)CSc1cccc(n1)Br 62a_100009817552_100000684672 [0,2,0,0,0,0|1,1,0]=4 16057 B12R1.226 C[C@@H](O)CSc1cccc(n1)Cl 62a_100000051397_100009817552 [0,2,0,0,0,0|1,1,0]=4 16058 B12R1.226 C[C@@H](O)CSc1cccc(n1)Cl 62a_100009817552_100000051397 [0,2,0,0,0,0|1,1,0]=4 16059 B12R1.226 C[C@@H](O)CSc1cccc(n1)F 62a_100009815982_100009817552 [0,2,0,0,0,0|1,1,0]=4 16060 B12R1.226 C[C@@H](O)CSc1cccc(n1)F 62a_100009817552_100009815982 [0,2,0,0,0,0|1,1,0]=4 16061 B12R1.226 C[C@@H](O)CSc1cccc(n1)N 62a_100000740741_100009817552 [0,2,0,0,0,0|1,1,0]=4 16062 B12R1.226 C[C@@H](O)CSc1cccc(n1)N 62a_100009817552_100000740741 [0,2,0,0,0,0|1,1,0]=4 16063 B12R1.226 C[C@@H](O)CSc1ccnc(c1)Br 62a_100009814637_100009817552 [0,2,0,0,0,0|1,1,0]=4 16064 B12R1.226 C[C@@H](O)CSc1ccnc(c1)Br 62a_100009817552_100009814637 [0,2,0,0,0,0|1,1,0]=4 16065 B12R1.226 C[C@@H](O)CSc1ccnc(c1)Cl 62a_100000035001_100009817552 [0,2,0,0,0,0|1,1,0]=4 16066 B12R1.226 C[C@@H](O)CSc1ccnc(c1)Cl 62a_100009817552_100000035001 [0,2,0,0,0,0|1,1,0]=4 16067 B12R1.226 C[C@@H](O)CSc1ccnc(c1)F 62a_100009816116_100009817552 [0,2,0,0,0,0|1,1,0]=4 16068 B12R1.226 C[C@@H](O)CSc1ccnc(c1)F 62a_100009817552_100009816116 [0,2,0,0,0,0|1,1,0]=4 16069 B12R1.226 C[C@@H](O)CSc1ccnc(c1)N 62a_100000049665_100009817552 [0,2,0,0,0,0|1,1,0]=4 16070 B12R1.226 C[C@@H](O)CSc1ccnc(c1)N 62a_100009817552_100000049665 [0,2,0,0,0,0|1,1,0]=4 16071 B12R1.226 C[C@@H](O)CSc1cncc(c1)Br 62a_100000728054_100009817552 [0,2,0,0,0,0|1,1,0]=4 16072 B12R1.226 C[C@@H](O)CSc1cncc(c1)Br 62a_100009817552_100000728054 [0,2,0,0,0,0|1,1,0]=4 16073 B12R1.226 C[C@@H](O)CSc1cncc(c1)Cl 62a_100000049639_100009817552 [0,2,0,0,0,0|1,1,0]=4 16074 B12R1.226 C[C@@H](O)CSc1cncc(c1)Cl 62a_100009817552_100000049639 [0,2,0,0,0,0|1,1,0]=4 16075 B12R1.226 C[C@@H](O)CSc1cncc(c1)F 62a_100000744099_100009817552 [0,2,0,0,0,0|1,1,0]=4 16076 B12R1.226 C[C@@H](O)CSc1cncc(c1)F 62a_100009817552_100000744099 [0,2,0,0,0,0|1,1,0]=4 16077 B12R1.226 C[C@@H](O)CSc1cncc(c1)N 62a_100000687067_100009817552 [0,2,0,0,0,0|1,1,0]=4 16078 B12R1.226 C[C@@H](O)CSc1cncc(c1)N 62a_100009817552_100000687067 [0,2,0,0,0,0|1,1,0]=4 16079 B12R1.226 C[C@@H](O)CSc1cncc(c1)O 62a_100000754920_100009817552 [0,2,0,0,0,0|1,1,0]=4 16080 B12R1.226 C[C@@H](O)CSc1cncc(c1)O 62a_100009817552_100000754920 [0,2,0,0,0,0|1,1,0]=4 16081 B12R1.226 Cc1cc(ccn1)NCC(C)O 27a_100000210904_100000758586 [0,2,0,0,0,0|2,0,0]=4 16082 B12R1.226 Cc1cc(ccn1)OCC(C)C 34a_100000688365_100000210624 [0,2,0,0,0,0|2,0,0]=4 16083 B12R1.226 Cc1cc(ccn1)OCC(C)O 34a_100000688365_100011218427 [0,2,0,0,0,0|1,0,0]=3 16084 B12R1.226 Cc1cc(ccn1)OCC(F)F 34a_100000688365_100011934356 [0,2,0,0,0,0|2,0,0]=4 16085 B12R1.226 Cc1cc(ccn1)OC[C@@H](C)O 34a_100000688365_100009817552 [0,2,0,0,0,0|1,0,0]=3 16086 B12R1.226 Cc1cc(ccn1)SCC(C)O 62a_100000758586_100011218427 [0,2,0,0,0,0|1,1,0]=4 16087 B12R1.226 Cc1cc(ccn1)SCC(C)O 62a_100011218427_100000758586 [0,2,0,0,0,0|1,1,0]=4 16088 B12R1.226 Cc1cc(ccn1)SC[C@@H](C)O 62a_100000758586_100009817552 [0,2,0,0,0,0|1,1,0]=4 16089 B12R1.226 Cc1cc(ccn1)SC[C@@H](C)O 62a_100009817552_100000758586 [0,2,0,0,0,0|1,1,0]=4 16090 B12R1.226 Cc1cccc(c1)C=CC(C)O 271570a_200011019289_100011215228 [0,2,0,0,0,0|1,0,1]=4 16091 B12R1.226 Cc1cccc(c1)NCC(C)C 2230a_100000188690_100000210760 [0,2,0,0,0,0|2,0,0]=4 16092 B12R1.226 Cc1cccc(c1)NCC(C)C 34a_100000188690_100000210624 [0,2,0,0,0,0|2,0,0]=4 16093 B12R1.226 Cc1cccc(c1)NCC(C)O 2230a_100000188690_100011218427 [0,2,0,0,0,0|1,0,0]=3 16094 B12R1.226 Cc1cccc(c1)NCC(C)O 34a_100000188690_100011218427 [0,2,0,0,0,0|1,0,0]=3 16095 B12R1.226 Cc1cccc(c1)NCC(F)F 2230a_100000188690_100011934356 [0,2,0,0,0,0|2,0,0]=4 16096 B12R1.226 Cc1cccc(c1)NCC(F)F 34a_100000188690_100011934356 [0,2,0,0,0,0|2,0,0]=4 16097 B12R1.226 Cc1cccc(c1)NC[C@@H](C)O 2230a_100000188690_100009817552 [0,2,0,0,0,0|1,0,0]=3 16098 B12R1.226 Cc1cccc(c1)NC[C@@H](C)O 34a_100000188690_100009817552 [0,2,0,0,0,0|1,0,0]=3 16099 B12R1.226 Cc1cccc(c1)OCC(=O)N 34a_100000210337_100000187820 [0,2,0,0,0,0|0,0,2]=4 16100 B12R1.226 Cc1cccc(c1)OCC(=O)N 7a_100000210337_100000187820 [0,2,0,0,0,0|0,0,2]=4 16101 B12R1.226 Cc1cccc(c1)OCC(=O)[13CH3] 1458a_100000183606_200025704644 [0,2,0,0,0,0|0,0,2]=4 16102 B12R1.226 Cc1cccc(c1)OCC(=O)[O-] 34a_100000210337_100020667443 [0,2,0,0,0,0|0,0,2]=4 16103 B12R1.226 Cc1cccc(c1)OCC(C)C 34a_100000210337_100000210624 [0,2,0,0,0,0|1,0,0]=3 16104 B12R1.226 Cc1cccc(c1)OCC(C)C 7a_100000210337_100000210760 [0,2,0,0,0,0|1,0,0]=3 16105 B12R1.226 Cc1cccc(c1)OCC(C)O 34a_100000210337_100011218427 [0,2,0,0,0,0|0,0,0]=2 16106 B12R1.226 Cc1cccc(c1)OCC(C)O 7a_100000210337_100011218427 [0,2,0,0,0,0|0,0,0]=2 16107 B12R1.226 Cc1cccc(c1)OCC(F)F 34a_100000210337_100011934356 [0,2,0,0,0,0|1,0,0]=3 16108 B12R1.226 Cc1cccc(c1)OCC(F)F 7a_100000210337_100011934356 [0,2,0,0,0,0|1,0,0]=3 16109 B12R1.226 Cc1cccc(c1)OC[C@@H](C)O 34a_100000210337_100009817552 [0,2,0,0,0,0|0,0,0]=2 16110 B12R1.226 Cc1cccc(c1)OC[C@@H](C)O 7a_100000210337_100009817552 [0,2,0,0,0,0|0,0,0]=2 16111 B12R1.226 Cc1cccc(c1)OC[N+](=O)[O-] 34a_100000210337_100000761209 [0,2,0,0,0,0|1,0,1]=4 16112 B12R1.226 Cc1cccc(c1)SCC(C)C 62a_100000210624_100011215228 [0,2,0,0,0,0|1,1,0]=4 16113 B12R1.226 Cc1cccc(c1)SCC(C)C 62a_100011215228_100000210760 [0,2,0,0,0,0|1,1,0]=4 16114 B12R1.226 Cc1cccc(c1)SCC(C)O 62a_100011215228_100011218427 [0,2,0,0,0,0|0,1,0]=3 16115 B12R1.226 Cc1cccc(c1)SCC(C)O 62a_100011218427_100011215228 [0,2,0,0,0,0|0,1,0]=3 16116 B12R1.226 Cc1cccc(c1)SCC(F)F 62a_100011215228_100011934356 [0,2,0,0,0,0|1,1,0]=4 16117 B12R1.226 Cc1cccc(c1)SCC(F)F 62a_100011934356_100011215228 [0,2,0,0,0,0|1,1,0]=4 16118 B12R1.226 Cc1cccc(c1)SC[C@@H](C)O 62a_100009817552_100011215228 [0,2,0,0,0,0|0,1,0]=3 16119 B12R1.226 Cc1cccc(c1)SC[C@@H](C)O 62a_100011215228_100009817552 [0,2,0,0,0,0|0,1,0]=3 16120 B12R1.226 Cc1cccc(n1)SCC(C)O 62a_100000742759_100011218427 [0,2,0,0,0,0|1,1,0]=4 16121 B12R1.226 Cc1cccc(n1)SCC(C)O 62a_100011218427_100000742759 [0,2,0,0,0,0|1,1,0]=4 16122 B12R1.226 Cc1cccc(n1)SC[C@@H](C)O 62a_100000742759_100009817552 [0,2,0,0,0,0|1,1,0]=4 16123 B12R1.226 Cc1cccc(n1)SC[C@@H](C)O 62a_100009817552_100000742759 [0,2,0,0,0,0|1,1,0]=4 16124 B12R1.226 Cc1ccnc(c1)SCC(C)O 62a_100000750283_100011218427 [0,2,0,0,0,0|1,1,0]=4 16125 B12R1.226 Cc1ccnc(c1)SCC(C)O 62a_100011218427_100000750283 [0,2,0,0,0,0|1,1,0]=4 16126 B12R1.226 Cc1ccnc(c1)SC[C@@H](C)O 62a_100000750283_100009817552 [0,2,0,0,0,0|1,1,0]=4 16127 B12R1.226 Cc1ccnc(c1)SC[C@@H](C)O 62a_100009817552_100000750283 [0,2,0,0,0,0|1,1,0]=4 16128 B12R1.226 Cc1cncc(c1)OCC(C)C 34a_100011830280_100000210624 [0,2,0,0,0,0|2,0,0]=4 16129 B12R1.226 Cc1cncc(c1)OCC(C)C 7a_100011830280_100000210760 [0,2,0,0,0,0|2,0,0]=4 16130 B12R1.226 Cc1cncc(c1)OCC(C)O 34a_100011830280_100011218427 [0,2,0,0,0,0|1,0,0]=3 16131 B12R1.226 Cc1cncc(c1)OCC(C)O 7a_100011830280_100011218427 [0,2,0,0,0,0|1,0,0]=3 16132 B12R1.226 Cc1cncc(c1)OCC(F)F 34a_100011830280_100011934356 [0,2,0,0,0,0|2,0,0]=4 16133 B12R1.226 Cc1cncc(c1)OCC(F)F 7a_100011830280_100011934356 [0,2,0,0,0,0|2,0,0]=4 16134 B12R1.226 Cc1cncc(c1)OC[C@@H](C)O 34a_100011830280_100009817552 [0,2,0,0,0,0|1,0,0]=3 16135 B12R1.226 Cc1cncc(c1)OC[C@@H](C)O 7a_100011830280_100009817552 [0,2,0,0,0,0|1,0,0]=3 16136 B12R1.226 Cc1cncc(c1)SCC(C)O 62a_100000760492_100011218427 [0,2,0,0,0,0|1,1,0]=4 16137 B12R1.226 Cc1cncc(c1)SCC(C)O 62a_100011218427_100000760492 [0,2,0,0,0,0|1,1,0]=4 16138 B12R1.226 Cc1cncc(c1)SC[C@@H](C)O 62a_100000760492_100009817552 [0,2,0,0,0,0|1,1,0]=4 16139 B12R1.226 Cc1cncc(c1)SC[C@@H](C)O 62a_100009817552_100000760492 [0,2,0,0,0,0|1,1,0]=4 16140 B12R1.226 Cc1cnnc(c1)OCC(C)O 34a_100000766097_100011218427 [0,2,0,0,0,0|2,0,0]=4 16141 B12R1.226 Cc1cnnc(c1)OC[C@@H](C)O 34a_100000766097_100009817552 [0,2,0,0,0,0|2,0,0]=4 16142 B12R1.226 FC(F)CNc1cccc(c1)Br 34a_100000210019_100011934356 [0,2,0,0,0,0|2,0,0]=4 16143 B12R1.226 FC(F)CNc1cccc(c1)Cl 34a_100000185859_100011934356 [0,2,0,0,0,0|2,0,0]=4 16144 B12R1.226 FC(F)CNc1cccc(c1)I 34a_100000211102_100011934356 [0,2,0,0,0,0|2,0,0]=4 16145 B12R1.226 FC(F)COc1cccc(c1)Br 34a_100000210342_100011934356 [0,2,0,0,0,0|1,0,0]=3 16146 B12R1.226 FC(F)COc1cccc(c1)Br 7a_100000210342_100011934356 [0,2,0,0,0,0|1,0,0]=3 16147 B12R1.226 FC(F)COc1cccc(c1)Cl 34a_100000210295_100011934356 [0,2,0,0,0,0|1,0,0]=3 16148 B12R1.226 FC(F)COc1cccc(c1)Cl 7a_100000210295_100011934356 [0,2,0,0,0,0|1,0,0]=3 16149 B12R1.226 FC(F)COc1cccc(c1)I 34a_100000211634_100011934356 [0,2,0,0,0,0|1,0,0]=3 16150 B12R1.226 FC(F)COc1cccc(c1)I 7a_100000211634_100011934356 [0,2,0,0,0,0|1,0,0]=3 16151 B12R1.226 FC(F)COc1ccnc(c1)Cl 34a_100000762945_100011934356 [0,2,0,0,0,0|2,0,0]=4 16152 B12R1.226 FC(F)COc1cncc(c1)Br 34a_100000754920_100011934356 [0,2,0,0,0,0|2,0,0]=4 16153 B12R1.226 FC(F)COc1cncc(c1)Br 7a_100000754920_100011934356 [0,2,0,0,0,0|2,0,0]=4 16154 B12R1.226 FC(F)COc1cncc(c1)Cl 7a_100000032511_100011934356 [0,2,0,0,0,0|2,0,0]=4 16155 B12R1.226 FC(F)CSc1cccc(c1)Br 62a_100000691529_100011934356 [0,2,0,0,0,0|1,1,0]=4 16156 B12R1.226 FC(F)CSc1cccc(c1)Br 62a_100011934356_100000691529 [0,2,0,0,0,0|1,1,0]=4 16157 B12R1.226 FC(F)CSc1cccc(c1)Cl 62a_100000699651_100011934356 [0,2,0,0,0,0|1,1,0]=4 16158 B12R1.226 FC(F)CSc1cccc(c1)Cl 62a_100011934356_100000699651 [0,2,0,0,0,0|1,1,0]=4 16159 B12R1.226 FC(F)CSc1cccc(c1)[S] 62a_100011934356_114929384022 [0,2,0,0,0,0|1,1,0]=4 16160 B12R1.226 FC(F)CSc1cccc(c1)[S] 62a_114929384022_100011934356 [0,2,0,0,0,0|1,1,0]=4 16161 B12R1.226 Fc1cc(ccn1)OCC(F)F 34a_100000732698_100011934356 [0,2,0,0,0,0|2,0,0]=4 16162 B12R1.226 Fc1cccc(c1)NCC(F)F 34a_100000210047_100011934356 [0,2,0,0,0,0|2,0,0]=4 16163 B12R1.226 Fc1cccc(c1)OCC(F)F 34a_100000210426_100011934356 [0,2,0,0,0,0|1,0,0]=3 16164 B12R1.226 Fc1cccc(c1)OCC(F)F 7a_100000210426_100011934356 [0,2,0,0,0,0|1,0,0]=3 16165 B12R1.226 Fc1cccc(c1)SCC(F)F 62a_100000685547_100011934356 [0,2,0,0,0,0|1,1,0]=4 16166 B12R1.226 Fc1cccc(c1)SCC(F)F 62a_100011934356_100000685547 [0,2,0,0,0,0|1,1,0]=4 16167 B12R1.226 Fc1cccc(n1)OCC(F)F 34a_100011432558_100011934356 [0,2,0,0,0,0|2,0,0]=4 16168 B12R1.226 Fc1cncc(c1)OCC(F)F 34a_100011830296_100011934356 [0,2,0,0,0,0|2,0,0]=4 16169 B12R1.226 Fc1cncc(c1)OCC(F)F 7a_100011830296_100011934356 [0,2,0,0,0,0|2,0,0]=4 16170 B12R1.226 NC(=O)COc1cccc(c1)Br 34a_100000210342_100000187820 [0,2,0,0,0,0|0,0,2]=4 16171 B12R1.226 NC(=O)COc1cccc(c1)Br 7a_100000210342_100000187820 [0,2,0,0,0,0|0,0,2]=4 16172 B12R1.226 NC(=O)COc1cccc(c1)Cl 34a_100000210295_100000187820 [0,2,0,0,0,0|0,0,2]=4 16173 B12R1.226 NC(=O)COc1cccc(c1)Cl 7a_100000210295_100000187820 [0,2,0,0,0,0|0,0,2]=4 16174 B12R1.226 NC(=O)COc1cccc(c1)F 34a_100000210426_100000187820 [0,2,0,0,0,0|0,0,2]=4 16175 B12R1.226 NC(=O)COc1cccc(c1)F 7a_100000210426_100000187820 [0,2,0,0,0,0|0,0,2]=4 16176 B12R1.226 NC(=O)COc1cccc(c1)I 34a_100000211634_100000187820 [0,2,0,0,0,0|0,0,2]=4 16177 B12R1.226 NC(=O)COc1cccc(c1)I 7a_100000211634_100000187820 [0,2,0,0,0,0|0,0,2]=4 16178 B12R1.226 NC(=O)COc1cccc(c1)N 34a_100000210217_100000187820 [0,2,0,0,0,0|0,0,2]=4 16179 B12R1.226 NC(=O)COc1cccc(c1)O 271570a_203496583355_200000150604 [0,2,0,0,0,0|0,0,2]=4 16180 B12R1.226 Nc1cc(ccn1)OCC(F)F 34a_100011834064_100011934356 [0,2,0,0,0,0|2,0,0]=4 16181 B12R1.226 Nc1cccc(c1)OCC(=O)[O-] 34a_100000210217_100020667443 [0,2,0,0,0,0|0,0,2]=4 16182 B12R1.226 Nc1cccc(c1)OCC(F)F 34a_100000210217_100011934356 [0,2,0,0,0,0|1,0,0]=3 16183 B12R1.226 Nc1cccc(c1)OC[N+](=O)[O-] 34a_100000210217_100000761209 [0,2,0,0,0,0|1,0,1]=4 16184 B12R1.226 Nc1cccc(c1)SCC(F)F 62a_100000210019_100011934356 [0,2,0,0,0,0|1,1,0]=4 16185 B12R1.226 Nc1cccc(c1)SCC(F)F 62a_100011934356_100000210019 [0,2,0,0,0,0|1,1,0]=4 16186 B12R1.226 Nc1cncc(c1)OCC(F)F 34a_100011997051_100011934356 [0,2,0,0,0,0|2,0,0]=4 16187 B12R1.226 O=C([O-])COc1cccc(c1)Br 34a_100000210342_100020667443 [0,2,0,0,0,0|0,0,2]=4 16188 B12R1.226 O=C([O-])COc1cccc(c1)Cl 34a_100000210295_100020667443 [0,2,0,0,0,0|0,0,2]=4 16189 B12R1.226 O=C([O-])COc1cccc(c1)F 34a_100000210426_100020667443 [0,2,0,0,0,0|0,0,2]=4 16190 B12R1.226 O=C([O-])COc1cccc(c1)I 34a_100000211634_100020667443 [0,2,0,0,0,0|0,0,2]=4 16191 B12R1.226 O=[N+]([O-])COc1cccc(c1)Br 34a_100000210342_100000761209 [0,2,0,0,0,0|1,0,1]=4 16192 B12R1.226 O=[N+]([O-])COc1cccc(c1)Cl 34a_100000210295_100000761209 [0,2,0,0,0,0|1,0,1]=4 16193 B12R1.226 O=[N+]([O-])COc1cccc(c1)F 34a_100000210426_100000761209 [0,2,0,0,0,0|1,0,1]=4 16194 B12R1.226 O=[N+]([O-])COc1cccc(c1)I 34a_100000211634_100000761209 [0,2,0,0,0,0|1,0,1]=4 16195 B12R1.226 O=c1cc(cc[nH]1)OCC(F)F 34a_100000032262_100011934356 [0,2,0,0,0,0|2,0,0]=4 16196 B12R1.226 O=c1cccc([nH]1)OCC(F)F 34a_100000033347_100011934356 [0,2,0,0,0,0|2,0,0]=4 16197 B12R1.226 Oc1cccc(c1)NCC(F)F 34a_100000210217_100011934356 [0,2,0,0,0,0|2,0,0]=4 16198 B12R1.226 Oc1cccc(c1)OCC(F)F 271570a_203496583355_100000763112 [0,2,0,0,0,0|1,0,0]=3 16199 B12R1.226 Oc1cccc(c1)SCC(F)F 62a_100011934356_100000211634 [0,2,0,0,0,0|1,1,0]=4 16200 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Br 1458a_100000182359_200025704644 [0,2,0,0,0,0|0,0,2]=4 16201 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Cl 1458a_100000184978_200025704644 [0,2,0,0,0,0|0,0,2]=4 16202 B12R1.226 [13CH3]C(=O)COc1cccc(c1)F 1458a_100000182781_200025704644 [0,2,0,0,0,0|0,0,2]=4 16203 B12R1.226 [O-][n+]1cccc(c1)OCC(F)F 34a_100000039713_100011934356 [0,2,0,0,0,0|2,0,0]=4 16204 B12R1.226 [O-][n+]1cccc(c1)OCC(F)F 7a_100000039713_100011934356 [0,2,0,0,0,0|2,0,0]=4 16205 B12R1.382 C#CCOc1cccc(c1)C#C 34a_100011216014_100000184674 [0,2,0,0,0,0|1,0,1]=4 16206 B12R1.382 C#CCOc1cccc(c1)C#C 7a_100011216014_100000038162 [0,2,0,0,0,0|1,0,1]=4 16207 B12R1.382 C#CCOc1cccc(c1)C#N 34a_100000184713_100000184674 [0,2,0,0,0,0|1,0,1]=4 16208 B12R1.382 C#CCOc1cccc(c1)C#N 7a_100000184713_100000038162 [0,2,0,0,0,0|1,0,1]=4 16209 B12R1.382 C#CCOc1cccc(c1)C=C 34a_100011309434_100000184674 [0,2,0,0,0,0|1,0,1]=4 16210 B12R1.382 C#CCOc1cccc(c1)C=C 7a_100011309434_100000038162 [0,2,0,0,0,0|1,0,1]=4 16211 B12R1.382 C#CCOc1cccc(c1)CBr 34a_100011660834_100000184674 [0,2,0,0,0,0|1,0,1]=4 16212 B12R1.382 C#CCOc1cccc(c1)CBr 7a_100011660834_100000038162 [0,2,0,0,0,0|1,0,1]=4 16213 B12R1.382 C#CCOc1cccc(c1)CC 34a_100000211550_100000184674 [0,2,0,0,0,0|1,0,1]=4 16214 B12R1.382 C#CCOc1cccc(c1)CC 7a_100000211550_100000038162 [0,2,0,0,0,0|1,0,1]=4 16215 B12R1.382 C#CCOc1cccc(c1)CCl 34a_100000084143_100000184674 [0,2,0,0,0,0|1,0,1]=4 16216 B12R1.382 C#CCOc1cccc(c1)CCl 7a_100000084143_100000038162 [0,2,0,0,0,0|1,0,1]=4 16217 B12R1.382 C#CCOc1cccc(c1)CN 34a_100000743036_100000184674 [0,2,0,0,0,0|1,0,1]=4 16218 B12R1.382 C#CCOc1cccc(c1)CO 34a_100011214949_100000184674 [0,2,0,0,0,0|1,0,1]=4 16219 B12R1.382 C#CCOc1cccc(c1)CO 7a_100011214949_100000038162 [0,2,0,0,0,0|1,0,1]=4 16220 B12R1.382 C#CCOc1cccc(c1)NC 34a_100000756613_100000184674 [0,2,0,0,0,0|1,0,1]=4 16221 B12R1.382 C#CCOc1cccc(c1)NC 7a_100000756613_100000038162 [0,2,0,0,0,0|1,0,1]=4 16222 B12R1.382 C#CCOc1cccc(c1)OC 34a_100000211255_100000184674 [0,2,0,0,0,0|1,0,1]=4 16223 B12R1.382 C#CCOc1cccc(c1)OC 7a_100000211255_100000038162 [0,2,0,0,0,0|1,0,1]=4 16224 B12R1.382 C#CCOc1cccc(c1)SC 34a_100011265683_100000184674 [0,2,0,0,0,0|1,0,1]=4 16225 B12R1.382 C#CCOc1cccc(c1)SC 7a_100011265683_100000038162 [0,2,0,0,0,0|1,0,1]=4 16226 B12R1.382 C#Cc1cccc(c1)NCCC 2230a_100000735509_100000210303 [0,2,0,0,0,0|2,0,0]=4 16227 B12R1.382 C#Cc1cccc(c1)NCCC 34a_100000735509_100000210303 [0,2,0,0,0,0|2,0,0]=4 16228 B12R1.382 C#Cc1cccc(c1)NCCF 2230a_100000735509_100011217306 [0,2,0,0,0,0|2,0,0]=4 16229 B12R1.382 C#Cc1cccc(c1)NCCF 34a_100000735509_100011217306 [0,2,0,0,0,0|2,0,0]=4 16230 B12R1.382 C#Cc1cccc(c1)NCCO 2230a_100000735509_100000211926 [0,2,0,0,0,0|1,0,0]=3 16231 B12R1.382 C#Cc1cccc(c1)NCCO 34a_100000735509_100000211926 [0,2,0,0,0,0|1,0,0]=3 16232 B12R1.382 C#Cc1cccc(c1)OCC#N 7a_100011216014_100011215382 [0,2,0,0,0,0|1,0,1]=4 16233 B12R1.382 C#Cc1cccc(c1)OCC=C 34a_100011216014_100015514636 [0,2,0,0,0,0|1,0,1]=4 16234 B12R1.382 C#Cc1cccc(c1)OCC=C 7a_100011216014_100015514636 [0,2,0,0,0,0|1,0,1]=4 16235 B12R1.382 C#Cc1cccc(c1)OCC=O 34a_100011216014_200009817547 [0,2,0,0,0,0|0,0,2]=4 16236 B12R1.382 C#Cc1cccc(c1)OCC=O 7a_100011216014_200015260668 [0,2,0,0,0,0|0,0,2]=4 16237 B12R1.382 C#Cc1cccc(c1)OCCC 34a_100011216014_100000210303 [0,2,0,0,0,0|1,0,0]=3 16238 B12R1.382 C#Cc1cccc(c1)OCCC 7a_100011216014_100000210303 [0,2,0,0,0,0|1,0,0]=3 16239 B12R1.382 C#Cc1cccc(c1)OCCF 34a_100011216014_100011217306 [0,2,0,0,0,0|1,0,0]=3 16240 B12R1.382 C#Cc1cccc(c1)OCCF 7a_100011216014_100011217306 [0,2,0,0,0,0|1,0,0]=3 16241 B12R1.382 C#Cc1cccc(c1)OCCO 34a_100011216014_100000211926 [0,2,0,0,0,0|0,0,0]=2 16242 B12R1.382 C#Cc1cccc(c1)OCCO 7a_100011216014_100000211926 [0,2,0,0,0,0|0,0,0]=2 16243 B12R1.382 C#Cc1cccc(c1)OCSC 34a_100011216014_100011218213 [0,2,0,0,0,0|2,0,0]=4 16244 B12R1.382 C=CCOc1cccc(c1)C#N 34a_100000184713_100015514636 [0,2,0,0,0,0|1,0,1]=4 16245 B12R1.382 C=CCOc1cccc(c1)C#N 7a_100000184713_100015514636 [0,2,0,0,0,0|1,0,1]=4 16246 B12R1.382 C=CCOc1cccc(c1)C=C 34a_100011309434_100015514636 [0,2,0,0,0,0|1,0,1]=4 16247 B12R1.382 C=CCOc1cccc(c1)C=C 7a_100011309434_100015514636 [0,2,0,0,0,0|1,0,1]=4 16248 B12R1.382 C=CCOc1cccc(c1)CBr 34a_100011660834_100015514636 [0,2,0,0,0,0|1,0,1]=4 16249 B12R1.382 C=CCOc1cccc(c1)CBr 7a_100011660834_100015514636 [0,2,0,0,0,0|1,0,1]=4 16250 B12R1.382 C=CCOc1cccc(c1)CC 34a_100000211550_100015514636 [0,2,0,0,0,0|1,0,1]=4 16251 B12R1.382 C=CCOc1cccc(c1)CC 7a_100000211550_100015514636 [0,2,0,0,0,0|1,0,1]=4 16252 B12R1.382 C=CCOc1cccc(c1)CCl 34a_100000084143_100015514636 [0,2,0,0,0,0|1,0,1]=4 16253 B12R1.382 C=CCOc1cccc(c1)CCl 7a_100000084143_100015514636 [0,2,0,0,0,0|1,0,1]=4 16254 B12R1.382 C=CCOc1cccc(c1)CN 34a_100000743036_100015514636 [0,2,0,0,0,0|1,0,1]=4 16255 B12R1.382 C=CCOc1cccc(c1)CO 34a_100011214949_100015514636 [0,2,0,0,0,0|1,0,1]=4 16256 B12R1.382 C=CCOc1cccc(c1)CO 7a_100011214949_100015514636 [0,2,0,0,0,0|1,0,1]=4 16257 B12R1.382 C=CCOc1cccc(c1)NC 34a_100000756613_100015514636 [0,2,0,0,0,0|1,0,1]=4 16258 B12R1.382 C=CCOc1cccc(c1)NC 7a_100000756613_100015514636 [0,2,0,0,0,0|1,0,1]=4 16259 B12R1.382 C=CCOc1cccc(c1)OC 34a_100000211255_100015514636 [0,2,0,0,0,0|1,0,1]=4 16260 B12R1.382 C=CCOc1cccc(c1)OC 7a_100000211255_100015514636 [0,2,0,0,0,0|1,0,1]=4 16261 B12R1.382 C=CCOc1cccc(c1)SC 34a_100011265683_100015514636 [0,2,0,0,0,0|1,0,1]=4 16262 B12R1.382 C=CCOc1cccc(c1)SC 7a_100011265683_100015514636 [0,2,0,0,0,0|1,0,1]=4 16263 B12R1.382 C=Cc1cc(ccn1)SCCO 62a_100000211926_100009845566 [0,2,0,0,0,0|1,1,0]=4 16264 B12R1.382 C=Cc1cc(ccn1)SCCO 62a_100009845566_100000211926 [0,2,0,0,0,0|1,1,0]=4 16265 B12R1.382 C=Cc1cccc(c1)C#CCO 271570a_100011290941_100009814051 [0,2,0,0,0,0|1,0,1]=4 16266 B12R1.382 C=Cc1cccc(c1)CCCC 271570a_100011290941_200010244551 [0,2,0,0,0,0|2,0,0]=4 16267 B12R1.382 C=Cc1cccc(c1)CCCN 271570a_100011290941_100000753791 [0,2,0,0,0,0|2,0,0]=4 16268 B12R1.382 C=Cc1cccc(c1)CCCO 271570a_100011290941_100011709248 [0,2,0,0,0,0|1,0,0]=3 16269 B12R1.382 C=Cc1cccc(c1)NCCC 34a_100011827668_100000210303 [0,2,0,0,0,0|2,0,0]=4 16270 B12R1.382 C=Cc1cccc(c1)NCCF 34a_100011827668_100011217306 [0,2,0,0,0,0|2,0,0]=4 16271 B12R1.382 C=Cc1cccc(c1)NCCO 34a_100011827668_100000211926 [0,2,0,0,0,0|1,0,0]=3 16272 B12R1.382 C=Cc1cccc(c1)OCC#N 271570a_100011290941_200000169433 [0,2,0,0,0,0|1,0,1]=4 16273 B12R1.382 C=Cc1cccc(c1)OCC#N 7a_100011309434_100011215382 [0,2,0,0,0,0|1,0,1]=4 16274 B12R1.382 C=Cc1cccc(c1)OCC=O 34a_100011309434_200009817547 [0,2,0,0,0,0|0,0,2]=4 16275 B12R1.382 C=Cc1cccc(c1)OCC=O 7a_100011309434_200015260668 [0,2,0,0,0,0|0,0,2]=4 16276 B12R1.382 C=Cc1cccc(c1)OCCC 271570a_100011290941_100000170004 [0,2,0,0,0,0|1,0,0]=3 16277 B12R1.382 C=Cc1cccc(c1)OCCC 34a_100011309434_100000210303 [0,2,0,0,0,0|1,0,0]=3 16278 B12R1.382 C=Cc1cccc(c1)OCCC 7a_100011309434_100000210303 [0,2,0,0,0,0|1,0,0]=3 16279 B12R1.382 C=Cc1cccc(c1)OCCF 34a_100011309434_100011217306 [0,2,0,0,0,0|1,0,0]=3 16280 B12R1.382 C=Cc1cccc(c1)OCCF 7a_100011309434_100011217306 [0,2,0,0,0,0|1,0,0]=3 16281 B12R1.382 C=Cc1cccc(c1)OCCN 271570a_100011290941_100000743521 [0,2,0,0,0,0|1,0,0]=3 16282 B12R1.382 C=Cc1cccc(c1)OCCO 271570a_100011290941_100000757546 [0,2,0,0,0,0|0,0,0]=2 16283 B12R1.382 C=Cc1cccc(c1)OCCO 34a_100011309434_100000211926 [0,2,0,0,0,0|0,0,0]=2 16284 B12R1.382 C=Cc1cccc(c1)OCCO 7a_100011309434_100000211926 [0,2,0,0,0,0|0,0,0]=2 16285 B12R1.382 C=Cc1cccc(c1)OCOC 271570a_100011290941_100012265688 [0,2,0,0,0,0|2,0,0]=4 16286 B12R1.382 C=Cc1cccc(c1)OCSC 34a_100011309434_100011218213 [0,2,0,0,0,0|2,0,0]=4 16287 B12R1.382 C=Cc1cccc(c1)SCCC 271570a_100011290941_200009815762 [0,2,0,0,0,0|1,1,0]=4 16288 B12R1.382 C=Cc1cccc(c1)SCCC 62a_100000210303_100011215241 [0,2,0,0,0,0|1,1,0]=4 16289 B12R1.382 C=Cc1cccc(c1)SCCC 62a_100011215241_100000210303 [0,2,0,0,0,0|1,1,0]=4 16290 B12R1.382 C=Cc1cccc(c1)SCCF 62a_100011215241_100011217306 [0,2,0,0,0,0|1,1,0]=4 16291 B12R1.382 C=Cc1cccc(c1)SCCF 62a_100011217306_100011215241 [0,2,0,0,0,0|1,1,0]=4 16292 B12R1.382 C=Cc1cccc(c1)SCCO 271570a_100011290941_200011756134 [0,2,0,0,0,0|0,1,0]=3 16293 B12R1.382 C=Cc1cccc(c1)SCCO 62a_100000211926_100011215241 [0,2,0,0,0,0|0,1,0]=3 16294 B12R1.382 C=Cc1cccc(c1)SCCO 62a_100011215241_100000211926 [0,2,0,0,0,0|0,1,0]=3 16295 B12R1.382 C=Cc1cccc(n1)NCCO 271570a_100011290941_200011880208 [0,2,0,0,0,0|2,0,0]=4 16296 B12R1.382 C=Cc1cccc(n1)OCCC 271570a_100011290941_200011960250 [0,2,0,0,0,0|2,0,0]=4 16297 B12R1.382 C=Cc1cncc(c1)OCCC 271570a_100011290941_200012029621 [0,2,0,0,0,0|2,0,0]=4 16298 B12R1.382 C=Cc1cncc(c1)SCCO 62a_100000211926_200012180632 [0,2,0,0,0,0|1,1,0]=4 16299 B12R1.382 C=Cc1cncc(c1)SCCO 62a_200012180632_100000211926 [0,2,0,0,0,0|1,1,0]=4 16300 B12R1.382 CCCCc1cccc(c1)C#N 271570a_100020621405_100000189340 [0,2,0,0,0,0|2,0,0]=4 16301 B12R1.382 CCCCc1cccc(c1)C=O 271570a_100020621405_100000014684 [0,2,0,0,0,0|2,0,0]=4 16302 B12R1.382 CCCCc1cccc(c1)CC 271570a_100020621405_100000684523 [0,2,0,0,0,0|2,0,0]=4 16303 B12R1.382 CCCCc1cccc(c1)CF 271570a_100020621405_100010878472 [0,2,0,0,0,0|2,0,0]=4 16304 B12R1.382 CCCCc1cccc(c1)CN 271570a_100020621405_100000106179 [0,2,0,0,0,0|2,0,0]=4 16305 B12R1.382 CCCCc1cccc(c1)CO 271570a_100020621405_100000687537 [0,2,0,0,0,0|2,0,0]=4 16306 B12R1.382 CCCCc1cccc(c1)NC 2230a_200012017287_200000210301 [0,2,0,0,0,0|2,0,0]=4 16307 B12R1.382 CCCCc1cccc(c1)NC 271570a_100020621405_100000219648 [0,2,0,0,0,0|2,0,0]=4 16308 B12R1.382 CCCCc1cccc(c1)NC 34a_200012017287_200000210301 [0,2,0,0,0,0|2,0,0]=4 16309 B12R1.382 CCCCc1cccc(c1)NC 7a_200012017287_200000210301 [0,2,0,0,0,0|2,0,0]=4 16310 B12R1.382 CCCCc1cccc(c1)NN 271570a_100020621405_100000217339 [0,2,0,0,0,0|2,0,0]=4 16311 B12R1.382 CCCCc1cccc(c1)N[13CH3] 2230a_200012017287_200025704644 [0,2,0,0,0,0|2,0,0]=4 16312 B12R1.382 CCCCc1cccc(c1)N[13CH3] 34a_200012017287_200025704644 [0,2,0,0,0,0|2,0,0]=4 16313 B12R1.382 CCCCc1cccc(c1)N[13CH3] 7a_200012017287_200025704644 [0,2,0,0,0,0|2,0,0]=4 16314 B12R1.382 CCCCc1cccc(c1)OC 271570a_100020621405_100000170001 [0,2,0,0,0,0|2,0,0]=4 16315 B12R1.382 CCCCc1cccc(c1)SC 271570a_100020621405_100011215954 [0,2,0,0,0,0|2,0,0]=4 16316 B12R1.382 CCCCc1cccc(c1)SC 62a_200000210301_200010244551 [0,2,0,0,0,0|2,0,0]=4 16317 B12R1.382 CCCCc1cccc(c1)SC 62a_200010244551_200000210301 [0,2,0,0,0,0|2,0,0]=4 16318 B12R1.382 CCCCc1cccc(c1)S[13CH3] 62a_200010244551_200025704644 [0,2,0,0,0,0|2,0,0]=4 16319 B12R1.382 CCCCc1cccc(c1)S[13CH3] 62a_200025704644_200010244551 [0,2,0,0,0,0|2,0,0]=4 16320 B12R1.382 CCCNc1cccc(c1)C#N 34a_100000210922_100000210303 [0,2,0,0,0,0|2,0,0]=4 16321 B12R1.382 CCCNc1cccc(c1)C#N 7a_100000210922_100000210303 [0,2,0,0,0,0|2,0,0]=4 16322 B12R1.382 CCCNc1cccc(c1)CC 2230a_100000211250_100000210303 [0,2,0,0,0,0|2,0,0]=4 16323 B12R1.382 CCCNc1cccc(c1)CC 34a_100000211250_100000210303 [0,2,0,0,0,0|2,0,0]=4 16324 B12R1.382 CCCNc1cccc(c1)CC 7a_100000211250_100000210303 [0,2,0,0,0,0|2,0,0]=4 16325 B12R1.382 CCCNc1cccc(c1)CF 2230a_100000126320_100000210303 [0,2,0,0,0,0|2,0,0]=4 16326 B12R1.382 CCCNc1cccc(c1)CF 34a_100000126320_100000210303 [0,2,0,0,0,0|2,0,0]=4 16327 B12R1.382 CCCNc1cccc(c1)CF 7a_100000126320_100000210303 [0,2,0,0,0,0|2,0,0]=4 16328 B12R1.382 CCCNc1cccc(c1)CO 2230a_100000211919_100000210303 [0,2,0,0,0,0|2,0,0]=4 16329 B12R1.382 CCCNc1cccc(c1)CO 34a_100000211919_100000210303 [0,2,0,0,0,0|2,0,0]=4 16330 B12R1.382 CCCNc1cccc(c1)OC 34a_100000210024_100000210303 [0,2,0,0,0,0|2,0,0]=4 16331 B12R1.382 CCCNc1cccc(c1)SC 2230a_100000210049_100000210303 [0,2,0,0,0,0|2,0,0]=4 16332 B12R1.382 CCCNc1cccc(c1)SC 34a_100000210049_100000210303 [0,2,0,0,0,0|2,0,0]=4 16333 B12R1.382 CCCOc1cc(ccn1)CN 34a_100000748557_100000210303 [0,2,0,0,0,0|2,0,0]=4 16334 B12R1.382 CCCOc1ccc[n+](c1)CC 34a_100000731997_100000210303 [0,2,0,0,0,0|2,0,0]=4 16335 B12R1.382 CCCOc1ccc[n+](c1)CC 7a_100000731997_100000210303 [0,2,0,0,0,0|2,0,0]=4 16336 B12R1.382 CCCOc1cccc(c1)C#N 34a_100000184713_100000210303 [0,2,0,0,0,0|1,0,0]=3 16337 B12R1.382 CCCOc1cccc(c1)C#N 7a_100000184713_100000210303 [0,2,0,0,0,0|1,0,0]=3 16338 B12R1.382 CCCOc1cccc(c1)CBr 34a_100011660834_100000210303 [0,2,0,0,0,0|1,0,0]=3 16339 B12R1.382 CCCOc1cccc(c1)CBr 7a_100011660834_100000210303 [0,2,0,0,0,0|1,0,0]=3 16340 B12R1.382 CCCOc1cccc(c1)CC 34a_100000211550_100000210303 [0,2,0,0,0,0|1,0,0]=3 16341 B12R1.382 CCCOc1cccc(c1)CC 7a_100000211550_100000210303 [0,2,0,0,0,0|1,0,0]=3 16342 B12R1.382 CCCOc1cccc(c1)CCl 34a_100000084143_100000210303 [0,2,0,0,0,0|1,0,0]=3 16343 B12R1.382 CCCOc1cccc(c1)CCl 7a_100000084143_100000210303 [0,2,0,0,0,0|1,0,0]=3 16344 B12R1.382 CCCOc1cccc(c1)CN 34a_100000743036_100000210303 [0,2,0,0,0,0|1,0,0]=3 16345 B12R1.382 CCCOc1cccc(c1)CO 34a_100011214949_100000210303 [0,2,0,0,0,0|1,0,0]=3 16346 B12R1.382 CCCOc1cccc(c1)CO 7a_100011214949_100000210303 [0,2,0,0,0,0|1,0,0]=3 16347 B12R1.382 CCCOc1cccc(c1)NC 34a_100000756613_100000210303 [0,2,0,0,0,0|1,0,0]=3 16348 B12R1.382 CCCOc1cccc(c1)NC 7a_100000756613_100000210303 [0,2,0,0,0,0|1,0,0]=3 16349 B12R1.382 CCCOc1cccc(c1)OC 34a_100000211255_100000210303 [0,2,0,0,0,0|1,0,0]=3 16350 B12R1.382 CCCOc1cccc(c1)OC 34a_100000748497_200000210301 [0,2,0,0,0,0|1,0,0]=3 16351 B12R1.382 CCCOc1cccc(c1)OC 7a_100000211255_100000210303 [0,2,0,0,0,0|1,0,0]=3 16352 B12R1.382 CCCOc1cccc(c1)OC 7a_100000748497_200000210301 [0,2,0,0,0,0|1,0,0]=3 16353 B12R1.382 CCCOc1cccc(c1)O[13CH3] 34a_100000748497_200025704644 [0,2,0,0,0,0|1,0,0]=3 16354 B12R1.382 CCCOc1cccc(c1)O[13CH3] 7a_100000748497_200025704644 [0,2,0,0,0,0|1,0,0]=3 16355 B12R1.382 CCCOc1cccc(c1)SC 34a_100011265683_100000210303 [0,2,0,0,0,0|1,0,0]=3 16356 B12R1.382 CCCOc1cccc(c1)SC 62a_100000170004_200000210301 [0,2,0,0,0,0|1,0,0]=3 16357 B12R1.382 CCCOc1cccc(c1)SC 62a_200000210301_100000170004 [0,2,0,0,0,0|1,0,0]=3 16358 B12R1.382 CCCOc1cccc(c1)SC 7a_100011265683_100000210303 [0,2,0,0,0,0|1,0,0]=3 16359 B12R1.382 CCCOc1cccc(c1)S[13CH3] 62a_100000170004_200025704644 [0,2,0,0,0,0|1,0,0]=3 16360 B12R1.382 CCCOc1cccc(c1)S[13CH3] 62a_200025704644_100000170004 [0,2,0,0,0,0|1,0,0]=3 16361 B12R1.382 CCCOc1cccc(n1)NC 27a_100102657272_200011960250 [0,2,0,0,0,0|2,0,0]=4 16362 B12R1.382 CCCOc1cccc(n1)SC 62a_200000210301_200011960250 [0,2,0,0,0,0|2,0,0]=4 16363 B12R1.382 CCCOc1cccc(n1)SC 62a_200011960250_200000210301 [0,2,0,0,0,0|2,0,0]=4 16364 B12R1.382 CCCOc1cccc(n1)S[13CH3] 62a_200011960250_200025704644 [0,2,0,0,0,0|2,0,0]=4 16365 B12R1.382 CCCOc1cccc(n1)S[13CH3] 62a_200025704644_200011960250 [0,2,0,0,0,0|2,0,0]=4 16366 B12R1.382 CCCOc1ccnc(c1)C#N 34a_100011777083_100000210303 [0,2,0,0,0,0|2,0,0]=4 16367 B12R1.382 CCCOc1ccnc(c1)C#N 7a_100011777083_100000210303 [0,2,0,0,0,0|2,0,0]=4 16368 B12R1.382 CCCOc1ccnc(c1)OC 34a_100012181050_100000210303 [0,2,0,0,0,0|2,0,0]=4 16369 B12R1.382 CCCOc1cncc(c1)C#N 34a_100012002025_100000210303 [0,2,0,0,0,0|2,0,0]=4 16370 B12R1.382 CCCOc1cncc(c1)C#N 7a_100012002025_100000210303 [0,2,0,0,0,0|2,0,0]=4 16371 B12R1.382 CCCOc1cncc(c1)CC 34a_200009861530_100000210303 [0,2,0,0,0,0|2,0,0]=4 16372 B12R1.382 CCCOc1cncc(c1)CC 7a_200009861530_100000210303 [0,2,0,0,0,0|2,0,0]=4 16373 B12R1.382 CCCOc1cncc(c1)OC 34a_100000084572_100000210303 [0,2,0,0,0,0|2,0,0]=4 16374 B12R1.382 CCCOc1cncc(c1)OC 7a_100000084572_100000210303 [0,2,0,0,0,0|2,0,0]=4 16375 B12R1.382 CCCOc1cncc(c1)SC 62a_200000210301_200012029621 [0,2,0,0,0,0|2,0,0]=4 16376 B12R1.382 CCCOc1cncc(c1)SC 62a_200012029621_200000210301 [0,2,0,0,0,0|2,0,0]=4 16377 B12R1.382 CCCOc1cncc(c1)S[13CH3] 62a_200012029621_200025704644 [0,2,0,0,0,0|2,0,0]=4 16378 B12R1.382 CCCOc1cncc(c1)S[13CH3] 62a_200025704644_200012029621 [0,2,0,0,0,0|2,0,0]=4 16379 B12R1.382 CCCSc1cccc(c1)C#N 62a_100000210303_100000189340 [0,2,0,0,0,0|1,1,0]=4 16380 B12R1.382 CCCSc1cccc(c1)C=O 62a_100000014684_100000210303 [0,2,0,0,0,0|1,1,0]=4 16381 B12R1.382 CCCSc1cccc(c1)C=O 62a_100000210303_100000014684 [0,2,0,0,0,0|1,1,0]=4 16382 B12R1.382 CCCSc1cccc(c1)CC 62a_100000210303_100011263222 [0,2,0,0,0,0|1,1,0]=4 16383 B12R1.382 CCCSc1cccc(c1)CC 62a_100011263222_100000210303 [0,2,0,0,0,0|1,1,0]=4 16384 B12R1.382 CCCSc1cccc(c1)CF 62a_100000210303_100010878472 [0,2,0,0,0,0|1,1,0]=4 16385 B12R1.382 CCCSc1cccc(c1)CF 62a_100010878472_100000210303 [0,2,0,0,0,0|1,1,0]=4 16386 B12R1.382 CCCSc1cccc(c1)CN 62a_100000106179_100000210303 [0,2,0,0,0,0|1,1,0]=4 16387 B12R1.382 CCCSc1cccc(c1)CN 62a_100000210303_100000106179 [0,2,0,0,0,0|1,1,0]=4 16388 B12R1.382 CCCSc1cccc(c1)CO 62a_100000210303_100000687537 [0,2,0,0,0,0|1,1,0]=4 16389 B12R1.382 CCCSc1cccc(c1)CO 62a_100000687537_100000210303 [0,2,0,0,0,0|1,1,0]=4 16390 B12R1.382 CCCSc1cccc(c1)NC 62a_100000210303_100000219648 [0,2,0,0,0,0|1,1,0]=4 16391 B12R1.382 CCCSc1cccc(c1)NC 62a_100000219648_100000210303 [0,2,0,0,0,0|1,1,0]=4 16392 B12R1.382 CCCSc1cccc(c1)NN 62a_100000210303_100000217339 [0,2,0,0,0,0|1,1,0]=4 16393 B12R1.382 CCCSc1cccc(c1)NN 62a_100000217339_100000210303 [0,2,0,0,0,0|1,1,0]=4 16394 B12R1.382 CCCSc1cccc(c1)OC 62a_100000210303_100000170001 [0,2,0,0,0,0|1,1,0]=4 16395 B12R1.382 CCCSc1cccc(c1)SC 62a_100000210303_100011215954 [0,2,0,0,0,0|1,1,0]=4 16396 B12R1.382 CCCSc1cccc(c1)SC 62a_100011215954_100000210303 [0,2,0,0,0,0|1,1,0]=4 16397 B12R1.382 CCCSc1cccc(c1)SC 62a_200000210301_200009815762 [0,2,0,0,0,0|1,1,0]=4 16398 B12R1.382 CCCSc1cccc(c1)SC 62a_200009815762_200000210301 [0,2,0,0,0,0|1,1,0]=4 16399 B12R1.382 CCCSc1cccc(c1)S[13CH3] 62a_200009815762_200025704644 [0,2,0,0,0,0|1,1,0]=4 16400 B12R1.382 CCCSc1cccc(c1)S[13CH3] 62a_200025704644_200009815762 [0,2,0,0,0,0|1,1,0]=4 16401 B12R1.382 CC[n+]1cccc(c1)OCCF 34a_100000731997_100011217306 [0,2,0,0,0,0|2,0,0]=4 16402 B12R1.382 CC[n+]1cccc(c1)OCCF 7a_100000731997_100011217306 [0,2,0,0,0,0|2,0,0]=4 16403 B12R1.382 CC[n+]1cccc(c1)OCCO 34a_100000731997_100000211926 [0,2,0,0,0,0|1,0,0]=3 16404 B12R1.382 CC[n+]1cccc(c1)OCCO 7a_100000731997_100000211926 [0,2,0,0,0,0|1,0,0]=3 16405 B12R1.382 CCc1cc(ccn1)NCCO 27a_100000210304_100009820011 [0,2,0,0,0,0|2,0,0]=4 16406 B12R1.382 CCc1cc(ccn1)SCCO 62a_100000211926_100009820011 [0,2,0,0,0,0|1,1,0]=4 16407 B12R1.382 CCc1cc(ccn1)SCCO 62a_100009820011_100000211926 [0,2,0,0,0,0|1,1,0]=4 16408 B12R1.382 CCc1cccc(c1)NCCF 2230a_100000211250_100011217306 [0,2,0,0,0,0|2,0,0]=4 16409 B12R1.382 CCc1cccc(c1)NCCF 34a_100000211250_100011217306 [0,2,0,0,0,0|2,0,0]=4 16410 B12R1.382 CCc1cccc(c1)NCCF 7a_100000211250_100011217306 [0,2,0,0,0,0|2,0,0]=4 16411 B12R1.382 CCc1cccc(c1)NCCO 2230a_100000211250_100000211926 [0,2,0,0,0,0|1,0,0]=3 16412 B12R1.382 CCc1cccc(c1)NCCO 34a_100000211250_100000211926 [0,2,0,0,0,0|1,0,0]=3 16413 B12R1.382 CCc1cccc(c1)NCCO 7a_100000211250_100000211926 [0,2,0,0,0,0|1,0,0]=3 16414 B12R1.382 CCc1cccc(c1)OCC#N 7a_100000211550_100011215382 [0,2,0,0,0,0|1,0,1]=4 16415 B12R1.382 CCc1cccc(c1)OCC=O 34a_100000211550_200009817547 [0,2,0,0,0,0|0,0,2]=4 16416 B12R1.382 CCc1cccc(c1)OCC=O 7a_100000211550_200015260668 [0,2,0,0,0,0|0,0,2]=4 16417 B12R1.382 CCc1cccc(c1)OCCF 34a_100000211550_100011217306 [0,2,0,0,0,0|1,0,0]=3 16418 B12R1.382 CCc1cccc(c1)OCCF 7a_100000211550_100011217306 [0,2,0,0,0,0|1,0,0]=3 16419 B12R1.382 CCc1cccc(c1)OCCO 34a_100000211550_100000211926 [0,2,0,0,0,0|0,0,0]=2 16420 B12R1.382 CCc1cccc(c1)OCCO 7a_100000211550_100000211926 [0,2,0,0,0,0|0,0,0]=2 16421 B12R1.382 CCc1cccc(c1)OCSC 34a_100000211550_100011218213 [0,2,0,0,0,0|2,0,0]=4 16422 B12R1.382 CCc1cccc(c1)SCCF 62a_100011217306_100011263222 [0,2,0,0,0,0|1,1,0]=4 16423 B12R1.382 CCc1cccc(c1)SCCF 62a_100011263222_100011217306 [0,2,0,0,0,0|1,1,0]=4 16424 B12R1.382 CCc1cccc(c1)SCCO 62a_100000211926_100011263222 [0,2,0,0,0,0|0,1,0]=3 16425 B12R1.382 CCc1cccc(c1)SCCO 62a_100011263222_100000211926 [0,2,0,0,0,0|0,1,0]=3 16426 B12R1.382 CCc1cccc(n1)SCCO 62a_100000211926_100009856026 [0,2,0,0,0,0|1,1,0]=4 16427 B12R1.382 CCc1cccc(n1)SCCO 62a_100009856026_100000211926 [0,2,0,0,0,0|1,1,0]=4 16428 B12R1.382 CCc1ccnc(c1)NCCO 27a_100000210304_100009817561 [0,2,0,0,0,0|2,0,0]=4 16429 B12R1.382 CCc1ccnc(c1)SCCO 62a_100000211926_100009817561 [0,2,0,0,0,0|1,1,0]=4 16430 B12R1.382 CCc1ccnc(c1)SCCO 62a_100009817561_100000211926 [0,2,0,0,0,0|1,1,0]=4 16431 B12R1.382 CCc1cncc(c1)OCCF 34a_200009861530_100011217306 [0,2,0,0,0,0|2,0,0]=4 16432 B12R1.382 CCc1cncc(c1)OCCF 7a_200009861530_100011217306 [0,2,0,0,0,0|2,0,0]=4 16433 B12R1.382 CCc1cncc(c1)OCCO 34a_200009861530_100000211926 [0,2,0,0,0,0|1,0,0]=3 16434 B12R1.382 CCc1cncc(c1)OCCO 7a_200009861530_100000211926 [0,2,0,0,0,0|1,0,0]=3 16435 B12R1.382 CCc1cncc(c1)SCCO 62a_100000211926_200009819073 [0,2,0,0,0,0|1,1,0]=4 16436 B12R1.382 CCc1cncc(c1)SCCO 62a_200009819073_100000211926 [0,2,0,0,0,0|1,1,0]=4 16437 B12R1.382 CNc1cc(ccn1)SCCO 62a_100000211926_100009819592 [0,2,0,0,0,0|1,1,0]=4 16438 B12R1.382 CNc1cc(ccn1)SCCO 62a_100009819592_100000211926 [0,2,0,0,0,0|1,1,0]=4 16439 B12R1.382 CNc1cccc(c1)CCCO 2230a_200000698965_200000210301 [0,2,0,0,0,0|1,0,0]=3 16440 B12R1.382 CNc1cccc(c1)CCCO 34a_200000698965_200000210301 [0,2,0,0,0,0|1,0,0]=3 16441 B12R1.382 CNc1cccc(c1)CCCO 7a_200000698965_200000210301 [0,2,0,0,0,0|1,0,0]=3 16442 B12R1.382 CNc1cccc(c1)OCC#N 34a_100000739570_200000210301 [0,2,0,0,0,0|1,0,1]=4 16443 B12R1.382 CNc1cccc(c1)OCC#N 7a_100000756613_100011215382 [0,2,0,0,0,0|1,0,1]=4 16444 B12R1.382 CNc1cccc(c1)OCC=O 34a_100000756613_200009817547 [0,2,0,0,0,0|0,0,2]=4 16445 B12R1.382 CNc1cccc(c1)OCC=O 7a_100000756613_200015260668 [0,2,0,0,0,0|0,0,2]=4 16446 B12R1.382 CNc1cccc(c1)OCCF 34a_100000756613_100011217306 [0,2,0,0,0,0|1,0,0]=3 16447 B12R1.382 CNc1cccc(c1)OCCF 7a_100000756613_100011217306 [0,2,0,0,0,0|1,0,0]=3 16448 B12R1.382 CNc1cccc(c1)OCCO 2230a_100011232151_200000210301 [0,2,0,0,0,0|0,0,0]=2 16449 B12R1.382 CNc1cccc(c1)OCCO 34a_100000756613_100000211926 [0,2,0,0,0,0|0,0,0]=2 16450 B12R1.382 CNc1cccc(c1)OCCO 34a_100011232151_200000210301 [0,2,0,0,0,0|0,0,0]=2 16451 B12R1.382 CNc1cccc(c1)OCCO 7a_100000756613_100000211926 [0,2,0,0,0,0|0,0,0]=2 16452 B12R1.382 CNc1cccc(c1)OCOC 34a_100012265470_200000210301 [0,2,0,0,0,0|2,0,0]=4 16453 B12R1.382 CNc1cccc(c1)OCSC 34a_100000756613_100011218213 [0,2,0,0,0,0|2,0,0]=4 16454 B12R1.382 CNc1cccc(c1)SCCF 62a_100000219648_100011217306 [0,2,0,0,0,0|1,1,0]=4 16455 B12R1.382 CNc1cccc(c1)SCCF 62a_100011217306_100000219648 [0,2,0,0,0,0|1,1,0]=4 16456 B12R1.382 CNc1cccc(c1)SCCO 62a_100000211926_100000219648 [0,2,0,0,0,0|0,1,0]=3 16457 B12R1.382 CNc1cccc(c1)SCCO 62a_100000219648_100000211926 [0,2,0,0,0,0|0,1,0]=3 16458 B12R1.382 CNc1cccc(n1)SCCO 62a_100000211926_100000703281 [0,2,0,0,0,0|1,1,0]=4 16459 B12R1.382 CNc1cccc(n1)SCCO 62a_100000703281_100000211926 [0,2,0,0,0,0|1,1,0]=4 16460 B12R1.382 CNc1ccnc(c1)SCCO 62a_100000211926_100009869472 [0,2,0,0,0,0|1,1,0]=4 16461 B12R1.382 CNc1ccnc(c1)SCCO 62a_100009869472_100000211926 [0,2,0,0,0,0|1,1,0]=4 16462 B12R1.382 CNc1cncc(c1)SCCO 62a_100000211926_100012184536 [0,2,0,0,0,0|1,1,0]=4 16463 B12R1.382 CNc1cncc(c1)SCCO 62a_100012184536_100000211926 [0,2,0,0,0,0|1,1,0]=4 16464 B12R1.382 COCOc1cccc(c1)N[13CH3] 34a_100012265470_200025704644 [0,2,0,0,0,0|2,0,0]=4 16465 B12R1.382 COCOc1cccc(c1)SC 62a_100012265688_200000210301 [0,2,0,0,0,0|2,0,0]=4 16466 B12R1.382 COCOc1cccc(c1)SC 62a_200000210301_100012265688 [0,2,0,0,0,0|2,0,0]=4 16467 B12R1.382 COCOc1cccc(c1)S[13CH3] 62a_100012265688_200025704644 [0,2,0,0,0,0|2,0,0]=4 16468 B12R1.382 COCOc1cccc(c1)S[13CH3] 62a_200025704644_100012265688 [0,2,0,0,0,0|2,0,0]=4 16469 B12R1.382 COc1cc(ccn1)OCCF 34a_100012181050_100011217306 [0,2,0,0,0,0|2,0,0]=4 16470 B12R1.382 COc1cc(ccn1)OCCO 34a_100012181050_100000211926 [0,2,0,0,0,0|1,0,0]=3 16471 B12R1.382 COc1cc(ccn1)SCCO 62a_100000117307_100000211926 [0,2,0,0,0,0|1,1,0]=4 16472 B12R1.382 COc1cc(ccn1)SCCO 62a_100000211926_100000117307 [0,2,0,0,0,0|1,1,0]=4 16473 B12R1.382 COc1cccc(c1)CCCO 34a_200011999501_200000210301 [0,2,0,0,0,0|1,0,0]=3 16474 B12R1.382 COc1cccc(c1)CCCO 7a_200011999501_200000210301 [0,2,0,0,0,0|1,0,0]=3 16475 B12R1.382 COc1cccc(c1)NCCF 34a_100000210024_100011217306 [0,2,0,0,0,0|2,0,0]=4 16476 B12R1.382 COc1cccc(c1)NCCO 34a_100000210024_100000211926 [0,2,0,0,0,0|1,0,0]=3 16477 B12R1.382 COc1cccc(c1)OCC#N 7a_100000211255_100011215382 [0,2,0,0,0,0|1,0,1]=4 16478 B12R1.382 COc1cccc(c1)OCC=O 34a_100000211255_200009817547 [0,2,0,0,0,0|0,0,2]=4 16479 B12R1.382 COc1cccc(c1)OCC=O 7a_100000211255_200015260668 [0,2,0,0,0,0|0,0,2]=4 16480 B12R1.382 COc1cccc(c1)OCCF 34a_100000211255_100011217306 [0,2,0,0,0,0|1,0,0]=3 16481 B12R1.382 COc1cccc(c1)OCCF 7a_100000211255_100011217306 [0,2,0,0,0,0|1,0,0]=3 16482 B12R1.382 COc1cccc(c1)OCCO 34a_100000211255_100000211926 [0,2,0,0,0,0|0,0,0]=2 16483 B12R1.382 COc1cccc(c1)OCCO 7a_100000211255_100000211926 [0,2,0,0,0,0|0,0,0]=2 16484 B12R1.382 COc1cccc(c1)OCSC 34a_100000211255_100011218213 [0,2,0,0,0,0|2,0,0]=4 16485 B12R1.382 COc1cccc(c1)SCCF 62a_100011217306_100000170001 [0,2,0,0,0,0|1,1,0]=4 16486 B12R1.382 COc1cccc(c1)SCCO 62a_100000211926_100000170001 [0,2,0,0,0,0|0,1,0]=3 16487 B12R1.382 COc1cccc(n1)SCCO 62a_100000211926_100000760917 [0,2,0,0,0,0|1,1,0]=4 16488 B12R1.382 COc1cccc(n1)SCCO 62a_100000760917_100000211926 [0,2,0,0,0,0|1,1,0]=4 16489 B12R1.382 COc1ccnc(c1)SCCO 62a_100000211926_100011216251 [0,2,0,0,0,0|1,1,0]=4 16490 B12R1.382 COc1ccnc(c1)SCCO 62a_100009817693_100000211926 [0,2,0,0,0,0|1,1,0]=4 16491 B12R1.382 COc1cncc(c1)OCCF 34a_100000084572_100011217306 [0,2,0,0,0,0|2,0,0]=4 16492 B12R1.382 COc1cncc(c1)OCCF 7a_100000084572_100011217306 [0,2,0,0,0,0|2,0,0]=4 16493 B12R1.382 COc1cncc(c1)OCCO 34a_100000084572_100000211926 [0,2,0,0,0,0|1,0,0]=3 16494 B12R1.382 COc1cncc(c1)OCCO 7a_100000084572_100000211926 [0,2,0,0,0,0|1,0,0]=3 16495 B12R1.382 COc1cncc(c1)SCCO 62a_100000050176_100000211926 [0,2,0,0,0,0|1,1,0]=4 16496 B12R1.382 COc1cncc(c1)SCCO 62a_100000211926_100000050176 [0,2,0,0,0,0|1,1,0]=4 16497 B12R1.382 CSCOc1cccc(c1)C#N 34a_100000184713_100011218213 [0,2,0,0,0,0|2,0,0]=4 16498 B12R1.382 CSCOc1cccc(c1)CBr 34a_100011660834_100011218213 [0,2,0,0,0,0|2,0,0]=4 16499 B12R1.382 CSCOc1cccc(c1)CCl 34a_100000084143_100011218213 [0,2,0,0,0,0|2,0,0]=4 16500 B12R1.382 CSCOc1cccc(c1)CN 34a_100000743036_100011218213 [0,2,0,0,0,0|2,0,0]=4 16501 B12R1.382 CSCOc1cccc(c1)CO 34a_100011214949_100011218213 [0,2,0,0,0,0|2,0,0]=4 16502 B12R1.382 CSCOc1cccc(c1)SC 34a_100011265683_100011218213 [0,2,0,0,0,0|2,0,0]=4 16503 B12R1.382 CSc1cccc(c1)C#CCO 62a_100009814051_200000210301 [0,2,0,0,0,0|1,0,1]=4 16504 B12R1.382 CSc1cccc(c1)C#CCO 62a_200000210301_100009814051 [0,2,0,0,0,0|1,0,1]=4 16505 B12R1.382 CSc1cccc(c1)CCCN 62a_100000753791_200000210301 [0,2,0,0,0,0|2,0,0]=4 16506 B12R1.382 CSc1cccc(c1)CCCN 62a_200000210301_100000753791 [0,2,0,0,0,0|2,0,0]=4 16507 B12R1.382 CSc1cccc(c1)CCCO 62a_100011709248_200000210301 [0,2,0,0,0,0|1,0,0]=3 16508 B12R1.382 CSc1cccc(c1)CCCO 62a_200000210301_100011709248 [0,2,0,0,0,0|1,0,0]=3 16509 B12R1.382 CSc1cccc(c1)NCCF 2230a_100000210049_100011217306 [0,2,0,0,0,0|2,0,0]=4 16510 B12R1.382 CSc1cccc(c1)NCCF 34a_100000210049_100011217306 [0,2,0,0,0,0|2,0,0]=4 16511 B12R1.382 CSc1cccc(c1)NCCO 2230a_100000210049_100000211926 [0,2,0,0,0,0|1,0,0]=3 16512 B12R1.382 CSc1cccc(c1)NCCO 34a_100000210049_100000211926 [0,2,0,0,0,0|1,0,0]=3 16513 B12R1.382 CSc1cccc(c1)OCC#N 62a_200000169433_200000210301 [0,2,0,0,0,0|1,0,1]=4 16514 B12R1.382 CSc1cccc(c1)OCC#N 62a_200000210301_200000169433 [0,2,0,0,0,0|1,0,1]=4 16515 B12R1.382 CSc1cccc(c1)OCC#N 7a_100011265683_100011215382 [0,2,0,0,0,0|1,0,1]=4 16516 B12R1.382 CSc1cccc(c1)OCC=O 34a_100011265683_200009817547 [0,2,0,0,0,0|0,0,2]=4 16517 B12R1.382 CSc1cccc(c1)OCC=O 7a_100011265683_200015260668 [0,2,0,0,0,0|0,0,2]=4 16518 B12R1.382 CSc1cccc(c1)OCCF 34a_100011265683_100011217306 [0,2,0,0,0,0|1,0,0]=3 16519 B12R1.382 CSc1cccc(c1)OCCF 7a_100011265683_100011217306 [0,2,0,0,0,0|1,0,0]=3 16520 B12R1.382 CSc1cccc(c1)OCCN 62a_100000743521_200000210301 [0,2,0,0,0,0|1,0,0]=3 16521 B12R1.382 CSc1cccc(c1)OCCN 62a_200000210301_100000743521 [0,2,0,0,0,0|1,0,0]=3 16522 B12R1.382 CSc1cccc(c1)OCCO 34a_100011265683_100000211926 [0,2,0,0,0,0|0,0,0]=2 16523 B12R1.382 CSc1cccc(c1)OCCO 62a_100000757546_200000210301 [0,2,0,0,0,0|0,0,0]=2 16524 B12R1.382 CSc1cccc(c1)OCCO 62a_200000210301_100000757546 [0,2,0,0,0,0|0,0,0]=2 16525 B12R1.382 CSc1cccc(c1)OCCO 7a_100011265683_100000211926 [0,2,0,0,0,0|0,0,0]=2 16526 B12R1.382 CSc1cccc(c1)SCCF 62a_100011215954_100011217306 [0,2,0,0,0,0|1,1,0]=4 16527 B12R1.382 CSc1cccc(c1)SCCF 62a_100011217306_100011215954 [0,2,0,0,0,0|1,1,0]=4 16528 B12R1.382 CSc1cccc(c1)SCCO 62a_100000211926_100011215954 [0,2,0,0,0,0|0,1,0]=3 16529 B12R1.382 CSc1cccc(c1)SCCO 62a_100011215954_100000211926 [0,2,0,0,0,0|0,1,0]=3 16530 B12R1.382 CSc1cccc(c1)SCCO 62a_200000210301_200011756134 [0,2,0,0,0,0|0,1,0]=3 16531 B12R1.382 CSc1cccc(c1)SCCO 62a_200011756134_200000210301 [0,2,0,0,0,0|0,1,0]=3 16532 B12R1.382 CSc1cccc(n1)NCCO 62a_200000210301_200011880208 [0,2,0,0,0,0|2,0,0]=4 16533 B12R1.382 CSc1cccc(n1)NCCO 62a_200011880208_200000210301 [0,2,0,0,0,0|2,0,0]=4 16534 B12R1.382 CSc1cccc(n1)SCCO 62a_100000211926_100011960944 [0,2,0,0,0,0|1,1,0]=4 16535 B12R1.382 CSc1cccc(n1)SCCO 62a_100011960944_100000211926 [0,2,0,0,0,0|1,1,0]=4 16536 B12R1.382 CSc1ccnc(c1)SCCO 62a_100000211926_100010883326 [0,2,0,0,0,0|1,1,0]=4 16537 B12R1.382 CSc1ccnc(c1)SCCO 62a_100010883326_100000211926 [0,2,0,0,0,0|1,1,0]=4 16538 B12R1.382 CSc1cncc(c1)SCCO 62a_100000211926_100009816972 [0,2,0,0,0,0|1,1,0]=4 16539 B12R1.382 CSc1cncc(c1)SCCO 62a_100009816972_100000211926 [0,2,0,0,0,0|1,1,0]=4 16540 B12R1.382 FCCNc1cccc(c1)CF 2230a_100000126320_100011217306 [0,2,0,0,0,0|2,0,0]=4 16541 B12R1.382 FCCNc1cccc(c1)CF 34a_100000126320_100011217306 [0,2,0,0,0,0|2,0,0]=4 16542 B12R1.382 FCCNc1cccc(c1)CF 7a_100000126320_100011217306 [0,2,0,0,0,0|2,0,0]=4 16543 B12R1.382 FCCOc1cccc(c1)CBr 34a_100011660834_100011217306 [0,2,0,0,0,0|1,0,0]=3 16544 B12R1.382 FCCOc1cccc(c1)CBr 7a_100011660834_100011217306 [0,2,0,0,0,0|1,0,0]=3 16545 B12R1.382 FCCOc1cccc(c1)CCl 34a_100000084143_100011217306 [0,2,0,0,0,0|1,0,0]=3 16546 B12R1.382 FCCOc1cccc(c1)CCl 7a_100000084143_100011217306 [0,2,0,0,0,0|1,0,0]=3 16547 B12R1.382 FCCSc1cccc(c1)CF 62a_100010878472_100011217306 [0,2,0,0,0,0|1,1,0]=4 16548 B12R1.382 FCCSc1cccc(c1)CF 62a_100011217306_100010878472 [0,2,0,0,0,0|1,1,0]=4 16549 B12R1.382 N#CCOc1cccc(c1)C#N 7a_100000184713_100011215382 [0,2,0,0,0,0|1,0,1]=4 16550 B12R1.382 N#CCOc1cccc(c1)CBr 7a_100011660834_100011215382 [0,2,0,0,0,0|1,0,1]=4 16551 B12R1.382 N#CCOc1cccc(c1)CCl 7a_100000084143_100011215382 [0,2,0,0,0,0|1,0,1]=4 16552 B12R1.382 N#CCOc1cccc(c1)CO 7a_100011214949_100011215382 [0,2,0,0,0,0|1,0,1]=4 16553 B12R1.382 N#Cc1cc(ccn1)NCCO 27a_100000210304_100000685610 [0,2,0,0,0,0|2,0,0]=4 16554 B12R1.382 N#Cc1cc(ccn1)OCCF 34a_100011777083_100011217306 [0,2,0,0,0,0|2,0,0]=4 16555 B12R1.382 N#Cc1cc(ccn1)OCCF 7a_100011777083_100011217306 [0,2,0,0,0,0|2,0,0]=4 16556 B12R1.382 N#Cc1cc(ccn1)OCCO 34a_100011777083_100000211926 [0,2,0,0,0,0|1,0,0]=3 16557 B12R1.382 N#Cc1cc(ccn1)OCCO 7a_100011777083_100000211926 [0,2,0,0,0,0|1,0,0]=3 16558 B12R1.382 N#Cc1cc(ccn1)SCCO 62a_100000211926_100000685610 [0,2,0,0,0,0|1,1,0]=4 16559 B12R1.382 N#Cc1cccc(c1)NCCF 34a_100000210922_100011217306 [0,2,0,0,0,0|2,0,0]=4 16560 B12R1.382 N#Cc1cccc(c1)NCCF 7a_100000210922_100011217306 [0,2,0,0,0,0|2,0,0]=4 16561 B12R1.382 N#Cc1cccc(c1)NCCO 34a_100000210922_100000211926 [0,2,0,0,0,0|1,0,0]=3 16562 B12R1.382 N#Cc1cccc(c1)NCCO 7a_100000210922_100000211926 [0,2,0,0,0,0|1,0,0]=3 16563 B12R1.382 N#Cc1cccc(c1)OCC=O 34a_100000184713_200009817547 [0,2,0,0,0,0|0,0,2]=4 16564 B12R1.382 N#Cc1cccc(c1)OCC=O 7a_100000184713_200015260668 [0,2,0,0,0,0|0,0,2]=4 16565 B12R1.382 N#Cc1cccc(c1)OCCF 34a_100000184713_100011217306 [0,2,0,0,0,0|1,0,0]=3 16566 B12R1.382 N#Cc1cccc(c1)OCCF 7a_100000184713_100011217306 [0,2,0,0,0,0|1,0,0]=3 16567 B12R1.382 N#Cc1cccc(c1)OCCO 34a_100000184713_100000211926 [0,2,0,0,0,0|0,0,0]=2 16568 B12R1.382 N#Cc1cccc(c1)OCCO 7a_100000184713_100000211926 [0,2,0,0,0,0|0,0,0]=2 16569 B12R1.382 N#Cc1cccc(c1)SCCF 62a_100011217306_100000189340 [0,2,0,0,0,0|1,1,0]=4 16570 B12R1.382 N#Cc1cccc(c1)SCCO 62a_100000211926_100000189340 [0,2,0,0,0,0|0,1,0]=3 16571 B12R1.382 N#Cc1cccc(n1)NCCO 27a_100000210304_100011934037 [0,2,0,0,0,0|2,0,0]=4 16572 B12R1.382 N#Cc1cccc(n1)SCCO 62a_100000211926_100011934037 [0,2,0,0,0,0|1,1,0]=4 16573 B12R1.382 N#Cc1ccnc(c1)NCCO 27a_100000210304_100011291639 [0,2,0,0,0,0|2,0,0]=4 16574 B12R1.382 N#Cc1ccnc(c1)SCCO 62a_100000211926_100011291639 [0,2,0,0,0,0|1,1,0]=4 16575 B12R1.382 N#Cc1cncc(c1)OCCF 34a_100012002025_100011217306 [0,2,0,0,0,0|2,0,0]=4 16576 B12R1.382 N#Cc1cncc(c1)OCCF 7a_100012002025_100011217306 [0,2,0,0,0,0|2,0,0]=4 16577 B12R1.382 N#Cc1cncc(c1)OCCO 34a_100012002025_100000211926 [0,2,0,0,0,0|1,0,0]=3 16578 B12R1.382 N#Cc1cncc(c1)OCCO 7a_100012002025_100000211926 [0,2,0,0,0,0|1,0,0]=3 16579 B12R1.382 N#Cc1cncc(c1)SCCO 62a_100000211926_100000686085 [0,2,0,0,0,0|1,1,0]=4 16580 B12R1.382 NCc1cc(ccn1)SCCO 62a_100000085674_100000211926 [0,2,0,0,0,0|1,1,0]=4 16581 B12R1.382 NCc1cc(ccn1)SCCO 62a_100000211926_100000085674 [0,2,0,0,0,0|1,1,0]=4 16582 B12R1.382 NCc1cccc(c1)OCC=O 34a_100000743036_200009817547 [0,2,0,0,0,0|0,0,2]=4 16583 B12R1.382 NCc1cccc(c1)OCCF 34a_100000743036_100011217306 [0,2,0,0,0,0|1,0,0]=3 16584 B12R1.382 NCc1cccc(c1)OCCO 34a_100000743036_100000211926 [0,2,0,0,0,0|0,0,0]=2 16585 B12R1.382 NCc1cccc(c1)SCCF 62a_100000106179_100011217306 [0,2,0,0,0,0|1,1,0]=4 16586 B12R1.382 NCc1cccc(c1)SCCF 62a_100011217306_100000106179 [0,2,0,0,0,0|1,1,0]=4 16587 B12R1.382 NCc1cccc(c1)SCCO 62a_100000106179_100000211926 [0,2,0,0,0,0|0,1,0]=3 16588 B12R1.382 NCc1cccc(c1)SCCO 62a_100000211926_100000106179 [0,2,0,0,0,0|0,1,0]=3 16589 B12R1.382 NCc1cccc(n1)SCCO 62a_100000211926_100016990191 [0,2,0,0,0,0|1,1,0]=4 16590 B12R1.382 NCc1cccc(n1)SCCO 62a_100016990191_100000211926 [0,2,0,0,0,0|1,1,0]=4 16591 B12R1.382 NCc1ccnc(c1)OCCF 34a_100000748557_100011217306 [0,2,0,0,0,0|2,0,0]=4 16592 B12R1.382 NCc1ccnc(c1)OCCO 34a_100000748557_100000211926 [0,2,0,0,0,0|1,0,0]=3 16593 B12R1.382 NCc1ccnc(c1)SCCO 62a_100000211926_100025757509 [0,2,0,0,0,0|1,1,0]=4 16594 B12R1.382 NCc1ccnc(c1)SCCO 62a_100025757509_100000211926 [0,2,0,0,0,0|1,1,0]=4 16595 B12R1.382 NCc1cncc(c1)SCCO 62a_100000211926_100011249555 [0,2,0,0,0,0|1,1,0]=4 16596 B12R1.382 NCc1cncc(c1)SCCO 62a_100011249555_100000211926 [0,2,0,0,0,0|1,1,0]=4 16597 B12R1.382 NNc1cc(ccn1)SCCO 62a_100000211926_100000764631 [0,2,0,0,0,0|1,1,0]=4 16598 B12R1.382 NNc1cc(ccn1)SCCO 62a_100000764631_100000211926 [0,2,0,0,0,0|1,1,0]=4 16599 B12R1.382 NNc1cccc(c1)SCCF 62a_100000217339_100011217306 [0,2,0,0,0,0|1,1,0]=4 16600 B12R1.382 NNc1cccc(c1)SCCF 62a_100011217306_100000217339 [0,2,0,0,0,0|1,1,0]=4 16601 B12R1.382 NNc1cccc(c1)SCCO 62a_100000211926_100000217339 [0,2,0,0,0,0|0,1,0]=3 16602 B12R1.382 NNc1cccc(c1)SCCO 62a_100000217339_100000211926 [0,2,0,0,0,0|0,1,0]=3 16603 B12R1.382 NNc1cccc(n1)SCCO 62a_100000211926_100009817029 [0,2,0,0,0,0|1,1,0]=4 16604 B12R1.382 NNc1cccc(n1)SCCO 62a_100009817029_100000211926 [0,2,0,0,0,0|1,1,0]=4 16605 B12R1.382 NNc1ccnc(c1)SCCO 62a_100000089018_100000211926 [0,2,0,0,0,0|1,1,0]=4 16606 B12R1.382 NNc1ccnc(c1)SCCO 62a_100000211926_100000089018 [0,2,0,0,0,0|1,1,0]=4 16607 B12R1.382 NNc1cncc(c1)SCCO 62a_100000211926_100000727789 [0,2,0,0,0,0|1,1,0]=4 16608 B12R1.382 NNc1cncc(c1)SCCO 62a_100000727789_100000211926 [0,2,0,0,0,0|1,1,0]=4 16609 B12R1.382 O=CCOc1cccc(c1)CBr 34a_100011660834_200009817547 [0,2,0,0,0,0|0,0,2]=4 16610 B12R1.382 O=CCOc1cccc(c1)CBr 7a_100011660834_200015260668 [0,2,0,0,0,0|0,0,2]=4 16611 B12R1.382 O=CCOc1cccc(c1)CCl 34a_100000084143_200009817547 [0,2,0,0,0,0|0,0,2]=4 16612 B12R1.382 O=CCOc1cccc(c1)CCl 7a_100000084143_200015260668 [0,2,0,0,0,0|0,0,2]=4 16613 B12R1.382 O=CCOc1cccc(c1)CO 34a_100011214949_200009817547 [0,2,0,0,0,0|0,0,2]=4 16614 B12R1.382 O=CCOc1cccc(c1)CO 7a_100011214949_200015260668 [0,2,0,0,0,0|0,0,2]=4 16615 B12R1.382 O=Cc1cc(ccn1)SCCO 62a_100000211926_100011998288 [0,2,0,0,0,0|1,1,0]=4 16616 B12R1.382 O=Cc1cc(ccn1)SCCO 62a_100011998288_100000211926 [0,2,0,0,0,0|1,1,0]=4 16617 B12R1.382 O=Cc1cccc(c1)SCCF 62a_100000014684_100011217306 [0,2,0,0,0,0|1,1,0]=4 16618 B12R1.382 O=Cc1cccc(c1)SCCF 62a_100011217306_100000014684 [0,2,0,0,0,0|1,1,0]=4 16619 B12R1.382 O=Cc1cccc(c1)SCCO 62a_100000014684_100000211926 [0,2,0,0,0,0|0,1,0]=3 16620 B12R1.382 O=Cc1cccc(c1)SCCO 62a_100000211926_100000014684 [0,2,0,0,0,0|0,1,0]=3 16621 B12R1.382 O=Cc1cccc(n1)SCCO 62a_100000211926_100000688028 [0,2,0,0,0,0|1,1,0]=4 16622 B12R1.382 O=Cc1cccc(n1)SCCO 62a_100000688028_100000211926 [0,2,0,0,0,0|1,1,0]=4 16623 B12R1.382 O=Cc1ccnc(c1)SCCO 62a_100000211926_100011290808 [0,2,0,0,0,0|1,1,0]=4 16624 B12R1.382 O=Cc1ccnc(c1)SCCO 62a_100011290808_100000211926 [0,2,0,0,0,0|1,1,0]=4 16625 B12R1.382 O=Cc1cncc(c1)SCCO 62a_100000211926_100000687066 [0,2,0,0,0,0|1,1,0]=4 16626 B12R1.382 O=Cc1cncc(c1)SCCO 62a_100000687066_100000211926 [0,2,0,0,0,0|1,1,0]=4 16627 B12R1.382 OCCNc1cccc(c1)CF 2230a_100000126320_100000211926 [0,2,0,0,0,0|1,0,0]=3 16628 B12R1.382 OCCNc1cccc(c1)CF 34a_100000126320_100000211926 [0,2,0,0,0,0|1,0,0]=3 16629 B12R1.382 OCCNc1cccc(c1)CF 7a_100000126320_100000211926 [0,2,0,0,0,0|1,0,0]=3 16630 B12R1.382 OCCNc1cccc(c1)CO 2230a_100000211919_100000211926 [0,2,0,0,0,0|1,0,0]=3 16631 B12R1.382 OCCNc1cccc(c1)CO 34a_100000211919_100000211926 [0,2,0,0,0,0|1,0,0]=3 16632 B12R1.382 OCCNc1ccnc(c1)CO 27a_100000210304_100000748867 [0,2,0,0,0,0|2,0,0]=4 16633 B12R1.382 OCCOc1cccc(c1)CBr 34a_100011660834_100000211926 [0,2,0,0,0,0|0,0,0]=2 16634 B12R1.382 OCCOc1cccc(c1)CBr 7a_100011660834_100000211926 [0,2,0,0,0,0|0,0,0]=2 16635 B12R1.382 OCCOc1cccc(c1)CCl 34a_100000084143_100000211926 [0,2,0,0,0,0|0,0,0]=2 16636 B12R1.382 OCCOc1cccc(c1)CCl 7a_100000084143_100000211926 [0,2,0,0,0,0|0,0,0]=2 16637 B12R1.382 OCCOc1cccc(c1)CO 34a_100011214949_100000211926 [0,2,0,0,0,0|0,0,0]=2 16638 B12R1.382 OCCOc1cccc(c1)CO 7a_100011214949_100000211926 [0,2,0,0,0,0|0,0,0]=2 16639 B12R1.382 OCCSc1cc(ccn1)CO 62a_100000211926_100009814636 [0,2,0,0,0,0|1,1,0]=4 16640 B12R1.382 OCCSc1cc(ccn1)CO 62a_100009814636_100000211926 [0,2,0,0,0,0|1,1,0]=4 16641 B12R1.382 OCCSc1cccc(c1)CF 62a_100000211926_100010878472 [0,2,0,0,0,0|0,1,0]=3 16642 B12R1.382 OCCSc1cccc(c1)CF 62a_100010878472_100000211926 [0,2,0,0,0,0|0,1,0]=3 16643 B12R1.382 OCCSc1cccc(c1)CO 62a_100000211926_100000687537 [0,2,0,0,0,0|0,1,0]=3 16644 B12R1.382 OCCSc1cccc(c1)CO 62a_100000687537_100000211926 [0,2,0,0,0,0|0,1,0]=3 16645 B12R1.382 OCCSc1cccc(n1)CO 62a_100000211926_100000694195 [0,2,0,0,0,0|1,1,0]=4 16646 B12R1.382 OCCSc1cccc(n1)CO 62a_100000694195_100000211926 [0,2,0,0,0,0|1,1,0]=4 16647 B12R1.382 OCCSc1ccnc(c1)CO 62a_100000211926_100000748867 [0,2,0,0,0,0|1,1,0]=4 16648 B12R1.382 OCCSc1ccnc(c1)CO 62a_100000748867_100000211926 [0,2,0,0,0,0|1,1,0]=4 16649 B12R1.382 OCCSc1cncc(c1)CO 62a_100000211926_100011259137 [0,2,0,0,0,0|1,1,0]=4 16650 B12R1.382 OCCSc1cncc(c1)CO 62a_100011259137_100000211926 [0,2,0,0,0,0|1,1,0]=4 16651 B12R1.382 OCc1cccc(c1)NCCF 2230a_100000211919_100011217306 [0,2,0,0,0,0|2,0,0]=4 16652 B12R1.382 OCc1cccc(c1)NCCF 34a_100000211919_100011217306 [0,2,0,0,0,0|2,0,0]=4 16653 B12R1.382 OCc1cccc(c1)OCCF 34a_100011214949_100011217306 [0,2,0,0,0,0|1,0,0]=3 16654 B12R1.382 OCc1cccc(c1)OCCF 7a_100011214949_100011217306 [0,2,0,0,0,0|1,0,0]=3 16655 B12R1.382 OCc1cccc(c1)SCCF 62a_100000687537_100011217306 [0,2,0,0,0,0|1,1,0]=4 16656 B12R1.382 OCc1cccc(c1)SCCF 62a_100011217306_100000687537 [0,2,0,0,0,0|1,1,0]=4 16657 B12R1.382 [13CH3]Nc1cccc(c1)CCCO 2230a_200000698965_200025704644 [0,2,0,0,0,0|1,0,0]=3 16658 B12R1.382 [13CH3]Nc1cccc(c1)CCCO 34a_200000698965_200025704644 [0,2,0,0,0,0|1,0,0]=3 16659 B12R1.382 [13CH3]Nc1cccc(c1)CCCO 7a_200000698965_200025704644 [0,2,0,0,0,0|1,0,0]=3 16660 B12R1.382 [13CH3]Nc1cccc(c1)OCC#N 34a_100000739570_200025704644 [0,2,0,0,0,0|1,0,1]=4 16661 B12R1.382 [13CH3]Nc1cccc(c1)OCCO 2230a_100011232151_200025704644 [0,2,0,0,0,0|0,0,0]=2 16662 B12R1.382 [13CH3]Nc1cccc(c1)OCCO 34a_100011232151_200025704644 [0,2,0,0,0,0|0,0,0]=2 16663 B12R1.382 [13CH3]Oc1cccc(c1)CCCO 34a_200011999501_200025704644 [0,2,0,0,0,0|1,0,0]=3 16664 B12R1.382 [13CH3]Oc1cccc(c1)CCCO 7a_200011999501_200025704644 [0,2,0,0,0,0|1,0,0]=3 16665 B12R1.382 [13CH3]Sc1cccc(c1)C#CCO 62a_100009814051_200025704644 [0,2,0,0,0,0|1,0,1]=4 16666 B12R1.382 [13CH3]Sc1cccc(c1)C#CCO 62a_200025704644_100009814051 [0,2,0,0,0,0|1,0,1]=4 16667 B12R1.382 [13CH3]Sc1cccc(c1)CCCN 62a_100000753791_200025704644 [0,2,0,0,0,0|2,0,0]=4 16668 B12R1.382 [13CH3]Sc1cccc(c1)CCCN 62a_200025704644_100000753791 [0,2,0,0,0,0|2,0,0]=4 16669 B12R1.382 [13CH3]Sc1cccc(c1)CCCO 62a_100011709248_200025704644 [0,2,0,0,0,0|1,0,0]=3 16670 B12R1.382 [13CH3]Sc1cccc(c1)CCCO 62a_200025704644_100011709248 [0,2,0,0,0,0|1,0,0]=3 16671 B12R1.382 [13CH3]Sc1cccc(c1)OCC#N 62a_200000169433_200025704644 [0,2,0,0,0,0|1,0,1]=4 16672 B12R1.382 [13CH3]Sc1cccc(c1)OCC#N 62a_200025704644_200000169433 [0,2,0,0,0,0|1,0,1]=4 16673 B12R1.382 [13CH3]Sc1cccc(c1)OCCN 62a_100000743521_200025704644 [0,2,0,0,0,0|1,0,0]=3 16674 B12R1.382 [13CH3]Sc1cccc(c1)OCCN 62a_200025704644_100000743521 [0,2,0,0,0,0|1,0,0]=3 16675 B12R1.382 [13CH3]Sc1cccc(c1)OCCO 62a_100000757546_200025704644 [0,2,0,0,0,0|0,0,0]=2 16676 B12R1.382 [13CH3]Sc1cccc(c1)OCCO 62a_200025704644_100000757546 [0,2,0,0,0,0|0,0,0]=2 16677 B12R1.382 [13CH3]Sc1cccc(c1)SCCO 62a_200011756134_200025704644 [0,2,0,0,0,0|0,1,0]=3 16678 B12R1.382 [13CH3]Sc1cccc(c1)SCCO 62a_200025704644_200011756134 [0,2,0,0,0,0|0,1,0]=3 16679 B12R1.382 [13CH3]Sc1cccc(n1)NCCO 62a_200011880208_200025704644 [0,2,0,0,0,0|2,0,0]=4 16680 B12R1.382 [13CH3]Sc1cccc(n1)NCCO 62a_200025704644_200011880208 [0,2,0,0,0,0|2,0,0]=4 16681 B12R1.8 BrCCCOCc1ccccc1 34a_100011217188_100015291786 [0,2,0,0,0,0|1,0,0]=3 16682 B12R1.8 BrCCCOCc1ccccn1 34a_100011217188_100000721315 [0,2,0,0,0,0|2,0,0]=4 16683 B12R1.8 BrCCCOCc1cccnc1 34a_100011217188_100000733263 [0,2,0,0,0,0|2,0,0]=4 16684 B12R1.8 BrCCOCCc1ccccc1 34a_100000211926_100000765856 [0,2,0,0,0,0|1,0,0]=3 16685 B12R1.8 C#CCCCNc1ccccc1 34a_100000106764_100000695029 [0,2,0,0,0,0|2,0,0]=4 16686 B12R1.8 C#CCCCOc1ccccc1 34a_100000210340_100000695029 [0,2,0,0,0,0|1,0,0]=3 16687 B12R1.8 C#CCCCOc1ccccc1 7a_100000210340_100011215417 [0,2,0,0,0,0|1,0,0]=3 16688 B12R1.8 C#CCCCOc1cccnc1 34a_100000210849_100000695029 [0,2,0,0,0,0|2,0,0]=4 16689 B12R1.8 C#CCCCOc1cccnc1 7a_100000210849_100011215417 [0,2,0,0,0,0|2,0,0]=4 16690 B12R1.8 C#CCCCOc1ccncc1 34a_100000212176_100000695029 [0,2,0,0,0,0|2,0,0]=4 16691 B12R1.8 C#CCCCSc1ccccc1 62a_100000719477_100011215417 [0,2,0,0,0,0|1,1,0]=4 16692 B12R1.8 C#CCCCSc1ccccc1 62a_100011215417_100000041952 [0,2,0,0,0,0|1,1,0]=4 16693 B12R1.8 C#CCCNCc1ccccc1 2230a_100015324214_100000688953 [0,2,0,0,0,0|2,0,0]=4 16694 B12R1.8 C#CCCNCc1ccccc1 34a_100000755551_100015291786 [0,2,0,0,0,0|2,0,0]=4 16695 B12R1.8 C#CCCNCc1ccccc1 34a_100015324214_100000688953 [0,2,0,0,0,0|2,0,0]=4 16696 B12R1.8 C#CCCOCc1ccccc1 34a_100000210790_100000688953 [0,2,0,0,0,0|1,0,0]=3 16697 B12R1.8 C#CCCOCc1ccccc1 34a_100011215631_100015291786 [0,2,0,0,0,0|1,0,0]=3 16698 B12R1.8 C#CCCOCc1ccccc1 7a_100000210790_100000688953 [0,2,0,0,0,0|1,0,0]=3 16699 B12R1.8 C#CCCOCc1ccccn1 34a_100011215631_100000721315 [0,2,0,0,0,0|2,0,0]=4 16700 B12R1.8 C#CCCOCc1cccnc1 34a_100011215631_100000733263 [0,2,0,0,0,0|2,0,0]=4 16701 B12R1.8 C#CCCSCc1ccccc1 62a_100000211182_100000688953 [0,2,0,0,0,0|1,1,0]=4 16702 B12R1.8 C#CCCSCc1ccccc1 62a_100000688953_100015291786 [0,2,0,0,0,0|1,1,0]=4 16703 B12R1.8 C#CCNCCc1ccccc1 2230a_100000106460_100000038162 [0,2,0,0,0,0|2,0,0]=4 16704 B12R1.8 C#CCNCCc1ccccc1 34a_100000106460_100000184674 [0,2,0,0,0,0|2,0,0]=4 16705 B12R1.8 C#CCNCCc1ccccc1 34a_100000212058_100000765856 [0,2,0,0,0,0|2,0,0]=4 16706 B12R1.8 C#CCOCCc1ccccc1 34a_100000210247_100000765856 [0,2,0,0,0,0|1,0,1]=4 16707 B12R1.8 C#CCOCCc1ccccc1 34a_100000210268_100000184674 [0,2,0,0,0,0|1,0,1]=4 16708 B12R1.8 C#CCOCCc1ccccc1 7a_100000210268_100000038162 [0,2,0,0,0,0|1,0,1]=4 16709 B12R1.8 C#CCSCCc1ccccc1 62a_100000038162_100011218657 [0,2,0,0,0,0|2,0,0]=4 16710 B12R1.8 C#CCSCSc1ccccc1 62a_100000038162_100011218342 [0,2,0,0,0,0|1,1,0]=4 16711 B12R1.8 C/C=C/COCc1ccccc1 34a_100000210790_100102629194 [0,2,0,0,0,0|1,0,1]=4 16712 B12R1.8 C/C=C/COCc1ccccc1 34a_100016270725_100015291786 [0,2,0,0,0,0|1,0,1]=4 16713 B12R1.8 C/C=C/COCc1ccccc1 7a_100000210790_100102629194 [0,2,0,0,0,0|1,0,1]=4 16714 B12R1.8 C=CCCCNc1ccccc1 34a_100000106764_100000757094 [0,2,0,0,0,0|2,0,0]=4 16715 B12R1.8 C=CCCCOc1ccccc1 34a_100000210340_100000757094 [0,2,0,0,0,0|1,0,0]=3 16716 B12R1.8 C=CCCCOc1ccccc1 7a_100000210340_100000757094 [0,2,0,0,0,0|1,0,0]=3 16717 B12R1.8 C=CCCCOc1cccnc1 34a_100000210849_100000757094 [0,2,0,0,0,0|2,0,0]=4 16718 B12R1.8 C=CCCCOc1cccnc1 7a_100000210849_100000757094 [0,2,0,0,0,0|2,0,0]=4 16719 B12R1.8 C=CCCCOc1ccncc1 34a_100000212176_100000757094 [0,2,0,0,0,0|2,0,0]=4 16720 B12R1.8 C=CCCCSc1ccccc1 62a_100000719477_100000757094 [0,2,0,0,0,0|1,1,0]=4 16721 B12R1.8 C=CCCCSc1ccccc1 62a_100011713584_100000041952 [0,2,0,0,0,0|1,1,0]=4 16722 B12R1.8 C=CCCNCc1ccccc1 207a_100015191253_100015611070 [0,2,0,0,0,0|2,0,0]=4 16723 B12R1.8 C=CCCNCc1ccccc1 2230a_100015191253_100015291786 [0,2,0,0,0,0|2,0,0]=4 16724 B12R1.8 C=CCCNCc1ccccc1 2230a_100015324214_100000754431 [0,2,0,0,0,0|2,0,0]=4 16725 B12R1.8 C=CCCNCc1ccccc1 270004a_100015191253_100015611070 [0,2,0,0,0,0|2,0,0]=4 16726 B12R1.8 C=CCCNCc1ccccc1 34a_100015324214_100000754431 [0,2,0,0,0,0|2,0,0]=4 16727 B12R1.8 C=CCCOCc1ccccc1 34a_100000210790_100000754431 [0,2,0,0,0,0|1,0,0]=3 16728 B12R1.8 C=CCCOCc1ccccc1 34a_100011205117_100015291786 [0,2,0,0,0,0|1,0,0]=3 16729 B12R1.8 C=CCCOCc1ccccc1 7a_100000210790_100000754431 [0,2,0,0,0,0|1,0,0]=3 16730 B12R1.8 C=CCCOCc1ccccn1 34a_100011205117_100000721315 [0,2,0,0,0,0|2,0,0]=4 16731 B12R1.8 C=CCCOCc1cccnc1 34a_100011205117_100000733263 [0,2,0,0,0,0|2,0,0]=4 16732 B12R1.8 C=CCCSCc1ccccc1 62a_100000211182_100000754431 [0,2,0,0,0,0|1,1,0]=4 16733 B12R1.8 C=CCCSCc1ccccc1 62a_100000754431_100015291786 [0,2,0,0,0,0|1,1,0]=4 16734 B12R1.8 C=CCNCCc1ccccc1 2230a_100000106460_100000210623 [0,2,0,0,0,0|2,0,0]=4 16735 B12R1.8 C=CCNCCc1ccccc1 2230a_100020586998_100000765856 [0,2,0,0,0,0|2,0,0]=4 16736 B12R1.8 C=CCNCCc1ccccc1 34a_100000106460_100015514636 [0,2,0,0,0,0|2,0,0]=4 16737 B12R1.8 C=CCNCSc1ccccc1 2230a_100020586998_100011218342 [0,2,0,0,0,0|1,1,0]=4 16738 B12R1.8 C=CCOCCc1ccccc1 34a_100000210268_100015514636 [0,2,0,0,0,0|1,0,1]=4 16739 B12R1.8 C=CCOCCc1ccccc1 34a_200000210373_100000765856 [0,2,0,0,0,0|1,0,1]=4 16740 B12R1.8 C=CCOCCc1ccccc1 7a_100000210268_100015514636 [0,2,0,0,0,0|1,0,1]=4 16741 B12R1.8 C=CCSCCc1ccccc1 62a_100000210623_100011218657 [0,2,0,0,0,0|2,0,0]=4 16742 B12R1.8 C=CCSCCc1ccccc1 62a_100000765856_100000210623 [0,2,0,0,0,0|2,0,0]=4 16743 B12R1.8 C=CCSCSc1ccccc1 62a_100000210623_100011218342 [0,2,0,0,0,0|1,1,0]=4 16744 B12R1.8 C=CCSCSc1ccccc1 62a_100011218342_100000210623 [0,2,0,0,0,0|1,1,0]=4 16745 B12R1.8 C=COCCNc1ccccc1 34a_100000106764_100000039644 [0,2,0,0,0,0|1,0,0]=3 16746 B12R1.8 C=COCCOc1ccccc1 34a_100000210340_100000039644 [0,2,0,0,0,0|0,0,0]=2 16747 B12R1.8 C=COCCOc1ccccc1 7a_100000210340_100000039644 [0,2,0,0,0,0|0,0,0]=2 16748 B12R1.8 C=COCCOc1cccnc1 34a_100000210849_100000039644 [0,2,0,0,0,0|1,0,0]=3 16749 B12R1.8 C=COCCOc1cccnc1 7a_100000210849_100000039644 [0,2,0,0,0,0|1,0,0]=3 16750 B12R1.8 C=COCCOc1ccncc1 34a_100000212176_100000039644 [0,2,0,0,0,0|1,0,0]=3 16751 B12R1.8 C=COCCOc1ccnnc1 34a_100015204005_100000039644 [0,2,0,0,0,0|2,0,0]=4 16752 B12R1.8 C=COCCOc1cncnc1 7a_100000754086_100000039644 [0,2,0,0,0,0|2,0,0]=4 16753 B12R1.8 C=COCCSc1ccccc1 62a_100000039644_100000041952 [0,2,0,0,0,0|0,1,0]=3 16754 B12R1.8 C=COCCSc1ccccc1 62a_100000719477_100000039644 [0,2,0,0,0,0|0,1,0]=3 16755 B12R1.8 C=COCCSc1ccccn1 62a_100000039644_100011216584 [0,2,0,0,0,0|1,1,0]=4 16756 B12R1.8 C=COCCSc1ccccn1 62a_100011216584_100000039644 [0,2,0,0,0,0|1,1,0]=4 16757 B12R1.8 C=COCCSc1cccnc1 62a_100000039644_100000210063 [0,2,0,0,0,0|1,1,0]=4 16758 B12R1.8 C=COCCSc1cccnc1 62a_100000210063_100000039644 [0,2,0,0,0,0|1,1,0]=4 16759 B12R1.8 C=COCCSc1ccncc1 62a_100000039644_100000728582 [0,2,0,0,0,0|1,1,0]=4 16760 B12R1.8 C=COCCSc1ccncc1 62a_100000728582_100000039644 [0,2,0,0,0,0|1,1,0]=4 16761 B12R1.8 CC#CCOCc1ccccc1 34a_100000210790_100000748600 [0,2,0,0,0,0|1,0,1]=4 16762 B12R1.8 CC#CCOCc1ccccc1 34a_100000761923_100015291786 [0,2,0,0,0,0|1,0,1]=4 16763 B12R1.8 CC#CCOCc1ccccc1 7a_100000210790_100000748600 [0,2,0,0,0,0|1,0,1]=4 16764 B12R1.8 CC/C=C\CNc1ccccc1 34a_100000106764_100103147603 [0,2,0,0,0,0|2,0,0]=4 16765 B12R1.8 CC/C=C\COc1ccccc1 34a_100000210340_100103147603 [0,2,0,0,0,0|1,0,0]=3 16766 B12R1.8 CC/C=C\COc1ccccc1 7a_100000210340_100103147603 [0,2,0,0,0,0|1,0,0]=3 16767 B12R1.8 CC/C=C\COc1cccnc1 34a_100000210849_100103147603 [0,2,0,0,0,0|2,0,0]=4 16768 B12R1.8 CC/C=C\COc1cccnc1 7a_100000210849_100103147603 [0,2,0,0,0,0|2,0,0]=4 16769 B12R1.8 CC/C=C\COc1ccncc1 34a_100000212176_100103147603 [0,2,0,0,0,0|2,0,0]=4 16770 B12R1.8 CC/C=C\CSc1ccccc1 62a_100000719477_100103147603 [0,2,0,0,0,0|1,1,0]=4 16771 B12R1.8 CC/C=C\CSc1ccccc1 62a_100103147603_100000041952 [0,2,0,0,0,0|1,1,0]=4 16772 B12R1.8 CC=CCOCc1ccccc1 34a_100000210790_100000070051 [0,2,0,0,0,0|1,0,1]=4 16773 B12R1.8 CC=CCOCc1ccccc1 7a_100000210790_100000070051 [0,2,0,0,0,0|1,0,1]=4 16774 B12R1.8 CCC#CCNc1ccccc1 34a_100000106764_100009813939 [0,2,0,0,0,0|2,0,0]=4 16775 B12R1.8 CCC#CCOc1ccccc1 34a_100000210340_100009813939 [0,2,0,0,0,0|1,0,0]=3 16776 B12R1.8 CCC#CCOc1ccccc1 7a_100000210340_100009813939 [0,2,0,0,0,0|1,0,0]=3 16777 B12R1.8 CCC#CCOc1cccnc1 34a_100000210849_100009813939 [0,2,0,0,0,0|2,0,0]=4 16778 B12R1.8 CCC#CCOc1cccnc1 7a_100000210849_100009813939 [0,2,0,0,0,0|2,0,0]=4 16779 B12R1.8 CCC#CCOc1ccncc1 34a_100000212176_100009813939 [0,2,0,0,0,0|2,0,0]=4 16780 B12R1.8 CCC#CCSc1ccccc1 62a_100000719477_100009813939 [0,2,0,0,0,0|1,1,0]=4 16781 B12R1.8 CCC#CCSc1ccccc1 62a_100009813939_100000041952 [0,2,0,0,0,0|1,1,0]=4 16782 B12R1.8 CCCC=NNc1ccccc1 4a_100015195140_100000185831 [0,2,0,0,0,0|2,0,0]=4 16783 B12R1.8 CCCCC=Cc1ccccc1 271570a_100016275911_100000210277 [0,2,0,0,0,0|2,0,0]=4 16784 B12R1.8 CCCCCNc1ccccc1 34a_100000106764_100000718602 [0,2,0,0,0,0|2,0,0]=4 16785 B12R1.8 CCCCCOc1ccccc1 34a_100000210340_100000718602 [0,2,0,0,0,0|1,0,0]=3 16786 B12R1.8 CCCCCOc1ccccc1 7a_100000210340_100000210326 [0,2,0,0,0,0|1,0,0]=3 16787 B12R1.8 CCCCCOc1cccnc1 34a_100000210849_100000718602 [0,2,0,0,0,0|2,0,0]=4 16788 B12R1.8 CCCCCOc1cccnc1 7a_100000210849_100000210326 [0,2,0,0,0,0|2,0,0]=4 16789 B12R1.8 CCCCCOc1ccncc1 34a_100000212176_100000718602 [0,2,0,0,0,0|2,0,0]=4 16790 B12R1.8 CCCCCSc1ccccc1 62a_100000210326_100000041952 [0,2,0,0,0,0|1,1,0]=4 16791 B12R1.8 CCCCCSc1ccccc1 62a_100000719477_100000210326 [0,2,0,0,0,0|1,1,0]=4 16792 B12R1.8 CCCCNCc1ccccc1 207a_100000102301_100015611070 [0,2,0,0,0,0|2,0,0]=4 16793 B12R1.8 CCCCNCc1ccccc1 2230a_100000102301_100015291786 [0,2,0,0,0,0|2,0,0]=4 16794 B12R1.8 CCCCNCc1ccccc1 2230a_100015324214_100000210211 [0,2,0,0,0,0|2,0,0]=4 16795 B12R1.8 CCCCNCc1ccccc1 270004a_100000102301_100015611070 [0,2,0,0,0,0|2,0,0]=4 16796 B12R1.8 CCCCNCc1ccccc1 34a_100015324214_100000210210 [0,2,0,0,0,0|2,0,0]=4 16797 B12R1.8 CCCCNCc1ccccc1 7a_106832991798_100000211182 [0,2,0,0,0,0|2,0,0]=4 16798 B12R1.8 CCCCOCc1ccccc1 34a_100000210227_100015291786 [0,2,0,0,0,0|1,0,0]=3 16799 B12R1.8 CCCCOCc1ccccc1 34a_100000210790_100000210210 [0,2,0,0,0,0|1,0,0]=3 16800 B12R1.8 CCCCOCc1ccccc1 7a_100000210227_100000211182 [0,2,0,0,0,0|1,0,0]=3 16801 B12R1.8 CCCCOCc1ccccc1 7a_100000210790_100000210211 [0,2,0,0,0,0|1,0,0]=3 16802 B12R1.8 CCCCOCc1ccccn1 34a_100000210227_100000721315 [0,2,0,0,0,0|2,0,0]=4 16803 B12R1.8 CCCCOCc1ccccn1 7a_100000210227_100000721315 [0,2,0,0,0,0|2,0,0]=4 16804 B12R1.8 CCCCOCc1cccnc1 34a_100000210227_100000733263 [0,2,0,0,0,0|2,0,0]=4 16805 B12R1.8 CCCCOCc1cccnc1 7a_100000210227_100000741622 [0,2,0,0,0,0|2,0,0]=4 16806 B12R1.8 CCCCOCc1ccncc1 7a_100000210227_100015193705 [0,2,0,0,0,0|2,0,0]=4 16807 B12R1.8 CCCCSCc1ccccc1 62a_100000210211_100015291786 [0,2,0,0,0,0|1,1,0]=4 16808 B12R1.8 CCCCSCc1ccccc1 62a_100000211182_100000210210 [0,2,0,0,0,0|1,1,0]=4 16809 B12R1.8 CCCNCCc1ccccc1 2230a_100000106460_100000210303 [0,2,0,0,0,0|2,0,0]=4 16810 B12R1.8 CCCNCCc1ccccc1 34a_100000106460_100000210303 [0,2,0,0,0,0|2,0,0]=4 16811 B12R1.8 CCCNN=Cc1ccccc1 4a_100000740057_100015611070 [0,2,0,0,0,0|2,0,0]=4 16812 B12R1.8 CCCOCCc1ccccc1 34a_100000210258_100000765856 [0,2,0,0,0,0|1,0,0]=3 16813 B12R1.8 CCCOCCc1ccccc1 34a_100000210268_100000210303 [0,2,0,0,0,0|1,0,0]=3 16814 B12R1.8 CCCOCCc1ccccc1 7a_100000210268_100000210303 [0,2,0,0,0,0|1,0,0]=3 16815 B12R1.8 CCCOCCc1ccccn1 34a_100000210271_100000210303 [0,2,0,0,0,0|2,0,0]=4 16816 B12R1.8 CCCOCCc1cccnc1 34a_100011217484_100000210303 [0,2,0,0,0,0|2,0,0]=4 16817 B12R1.8 CCCOCCc1ccncc1 34a_100011216225_100000210303 [0,2,0,0,0,0|2,0,0]=4 16818 B12R1.8 CCCSCCc1ccccc1 62a_100000210303_100011218657 [0,2,0,0,0,0|1,1,0]=4 16819 B12R1.8 CCCSCCc1ccccc1 62a_100000765856_100000210303 [0,2,0,0,0,0|1,1,0]=4 16820 B12R1.8 CCCSCSc1ccccc1 62a_100000210303_100011218342 [0,2,0,0,0,0|1,1,0]=4 16821 B12R1.8 CCCSCSc1ccccc1 62a_100011218342_100000210303 [0,2,0,0,0,0|1,1,0]=4 16822 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100015525214_100016265936 [0,2,0,0,0,0|2,0,0]=4 16823 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100020603302_100000210202 [0,2,0,0,0,0|2,0,0]=4 16824 B12R1.8 CCNC/C=C/c1ccccc1 34a_100020603302_100000210202 [0,2,0,0,0,0|2,0,0]=4 16825 B12R1.8 CCNCC#Cc1ccccc1 2230a_100015525214_100011352542 [0,2,0,0,0,0|2,0,0]=4 16826 B12R1.8 CCNCC#Cc1ccccc1 34a_100000735379_100000210202 [0,2,0,0,0,0|2,0,0]=4 16827 B12R1.8 CCNCC=Cc1ccccc1 270004a_100015525214_100000210105 [0,2,0,0,0,0|2,0,0]=4 16828 B12R1.8 CCNCCCc1ccccc1 2230a_100000211184_100000210202 [0,2,0,0,0,0|2,0,0]=4 16829 B12R1.8 CCNCCCc1ccccc1 2230a_100015525214_100000211621 [0,2,0,0,0,0|2,0,0]=4 16830 B12R1.8 CCNCCCc1ccccc1 34a_100000211184_100000210202 [0,2,0,0,0,0|2,0,0]=4 16831 B12R1.8 CCNCCOc1ccccc1 2230a_100000174943_100000210202 [0,2,0,0,0,0|1,0,0]=3 16832 B12R1.8 CCNCCOc1ccccc1 2230a_100015525214_100000184471 [0,2,0,0,0,0|1,0,0]=3 16833 B12R1.8 CCNCCOc1ccccc1 270004a_100015525214_100000758736 [0,2,0,0,0,0|1,0,0]=3 16834 B12R1.8 CCNCCOc1ccccc1 34a_100000174943_100000210202 [0,2,0,0,0,0|1,0,0]=3 16835 B12R1.8 CCNCCOc1ccccn1 2230a_106741647558_100000210202 [0,2,0,0,0,0|2,0,0]=4 16836 B12R1.8 CCNCCOc1cccnc1 2230a_100000754688_100000210202 [0,2,0,0,0,0|2,0,0]=4 16837 B12R1.8 CCNCCSc1ccccc1 2230a_100000189519_100000210202 [0,2,0,0,0,0|1,1,0]=4 16838 B12R1.8 CCNCCSc1ccccc1 2230a_100015525214_100000246102 [0,2,0,0,0,0|1,1,0]=4 16839 B12R1.8 CCNCOCc1ccccc1 2230a_100015525214_100000763385 [0,2,0,0,0,0|1,0,0]=3 16840 B12R1.8 CCNCSCc1ccccc1 2230a_100015525214_200011217039 [0,2,0,0,0,0|1,1,0]=4 16841 B12R1.8 CCOC/C=C/c1ccccc1 34a_100000210256_100000210202 [0,2,0,0,0,0|1,0,1]=4 16842 B12R1.8 CCOC/C=C/c1ccccc1 34a_100121572206_100016265936 [0,2,0,0,0,0|1,0,1]=4 16843 B12R1.8 CCOCC#Cc1ccccc1 34a_100011217464_100000210202 [0,2,0,0,0,0|1,0,1]=4 16844 B12R1.8 CCOCC#Cc1ccccc1 34a_100121572206_100011352542 [0,2,0,0,0,0|1,0,1]=4 16845 B12R1.8 CCOCC#Cc1ccccc1 7a_100011217464_100000210202 [0,2,0,0,0,0|1,0,1]=4 16846 B12R1.8 CCOCCCc1ccccc1 34a_100000210828_100000210202 [0,2,0,0,0,0|1,0,0]=3 16847 B12R1.8 CCOCCCc1ccccc1 34a_100121572206_100000211621 [0,2,0,0,0,0|1,0,0]=3 16848 B12R1.8 CCOCCCc1ccccc1 7a_100000210828_100000210202 [0,2,0,0,0,0|1,0,0]=3 16849 B12R1.8 CCOCCCc1ccccn1 34a_100011215068_100000210202 [0,2,0,0,0,0|2,0,0]=4 16850 B12R1.8 CCOCCCc1cccnc1 34a_100000211284_100000210202 [0,2,0,0,0,0|2,0,0]=4 16851 B12R1.8 CCOCCCc1ccncc1 34a_100000210659_100000210202 [0,2,0,0,0,0|2,0,0]=4 16852 B12R1.8 CCOCCNc1ccccc1 34a_100000106764_100000210147 [0,2,0,0,0,0|1,0,0]=3 16853 B12R1.8 CCOCCNc1ccccc1 34a_100000211345_100000210202 [0,2,0,0,0,0|1,0,0]=3 16854 B12R1.8 CCOCCNc1ccncc1 34a_200011243140_100000210202 [0,2,0,0,0,0|2,0,0]=4 16855 B12R1.8 CCOCCOc1ccccc1 34a_100000210260_100000210202 [0,2,0,0,0,0|0,0,0]=2 16856 B12R1.8 CCOCCOc1ccccc1 34a_100000210340_100000210147 [0,2,0,0,0,0|0,0,0]=2 16857 B12R1.8 CCOCCOc1ccccc1 34a_100121572206_100000184471 [0,2,0,0,0,0|0,0,0]=2 16858 B12R1.8 CCOCCOc1ccccc1 7a_100000210260_100000210202 [0,2,0,0,0,0|0,0,0]=2 16859 B12R1.8 CCOCCOc1ccccc1 7a_100000210340_100011215890 [0,2,0,0,0,0|0,0,0]=2 16860 B12R1.8 CCOCCOc1cccnc1 34a_100000210849_100000210147 [0,2,0,0,0,0|1,0,0]=3 16861 B12R1.8 CCOCCOc1cccnc1 7a_100000210849_100011215890 [0,2,0,0,0,0|1,0,0]=3 16862 B12R1.8 CCOCCOc1ccncc1 34a_100000212176_100000210147 [0,2,0,0,0,0|1,0,0]=3 16863 B12R1.8 CCOCCOc1ccnnc1 34a_100015204005_100000210147 [0,2,0,0,0,0|2,0,0]=4 16864 B12R1.8 CCOCCOc1cncnc1 7a_100000754086_100011215890 [0,2,0,0,0,0|2,0,0]=4 16865 B12R1.8 CCOCCSc1ccccc1 34a_100121572206_100000246102 [0,2,0,0,0,0|0,1,0]=3 16866 B12R1.8 CCOCCSc1ccccc1 62a_100000210147_100000041952 [0,2,0,0,0,0|0,1,0]=3 16867 B12R1.8 CCOCCSc1ccccc1 62a_100000719477_100011215890 [0,2,0,0,0,0|0,1,0]=3 16868 B12R1.8 CCOCCSc1ccccc1 7a_100000230494_100000210202 [0,2,0,0,0,0|0,1,0]=3 16869 B12R1.8 CCOCCSc1ccccn1 62a_100000210147_100011216584 [0,2,0,0,0,0|1,1,0]=4 16870 B12R1.8 CCOCCSc1ccccn1 62a_100011216584_100011215890 [0,2,0,0,0,0|1,1,0]=4 16871 B12R1.8 CCOCCSc1ccccn1 7a_100000156319_100000210202 [0,2,0,0,0,0|1,1,0]=4 16872 B12R1.8 CCOCCSc1cccnc1 62a_100000210063_100011215890 [0,2,0,0,0,0|1,1,0]=4 16873 B12R1.8 CCOCCSc1cccnc1 62a_100000210147_100000210063 [0,2,0,0,0,0|1,1,0]=4 16874 B12R1.8 CCOCCSc1ccncc1 62a_100000210147_100000728582 [0,2,0,0,0,0|1,1,0]=4 16875 B12R1.8 CCOCCSc1ccncc1 62a_100000728582_100011215890 [0,2,0,0,0,0|1,1,0]=4 16876 B12R1.8 CCOCOCc1ccccc1 34a_100121572206_100000763385 [0,2,0,0,0,0|1,0,0]=3 16877 B12R1.8 CCOCSCc1ccccc1 34a_100121572206_200011217039 [0,2,0,0,0,0|1,1,0]=4 16878 B12R1.8 CCOCSCc1ccccc1 62a_100000211182_100000739092 [0,2,0,0,0,0|1,1,0]=4 16879 B12R1.8 CCOCSCc1ccccc1 62a_100000739092_100015291786 [0,2,0,0,0,0|1,1,0]=4 16880 B12R1.8 CCSC/C=C/c1ccccc1 62a_100000210202_100016265936 [0,2,0,0,0,0|2,0,0]=4 16881 B12R1.8 CCSC/C=C/c1ccccc1 62a_100016265936_100000210202 [0,2,0,0,0,0|2,0,0]=4 16882 B12R1.8 CCSCC#Cc1ccccc1 62a_100000210202_100011352542 [0,2,0,0,0,0|2,0,0]=4 16883 B12R1.8 CCSCCCc1ccccc1 62a_100000210202_100000211621 [0,2,0,0,0,0|1,1,0]=4 16884 B12R1.8 CCSCCCc1ccccc1 62a_100000211621_100000210202 [0,2,0,0,0,0|1,1,0]=4 16885 B12R1.8 CCSCCNc1ccccc1 34a_100000106764_100000757381 [0,2,0,0,0,0|1,1,0]=4 16886 B12R1.8 CCSCCOc1ccccc1 34a_100000210340_100000757381 [0,2,0,0,0,0|0,1,0]=3 16887 B12R1.8 CCSCCOc1ccccc1 62a_100000184471_100000210202 [0,2,0,0,0,0|0,1,0]=3 16888 B12R1.8 CCSCCOc1ccccc1 62a_100000210202_100000184471 [0,2,0,0,0,0|0,1,0]=3 16889 B12R1.8 CCSCCOc1ccccc1 7a_100000210340_100000757381 [0,2,0,0,0,0|0,1,0]=3 16890 B12R1.8 CCSCCOc1cccnc1 34a_100000210849_100000757381 [0,2,0,0,0,0|1,1,0]=4 16891 B12R1.8 CCSCCOc1cccnc1 7a_100000210849_100000757381 [0,2,0,0,0,0|1,1,0]=4 16892 B12R1.8 CCSCCOc1ccncc1 34a_100000212176_100000757381 [0,2,0,0,0,0|1,1,0]=4 16893 B12R1.8 CCSCCSc1ccccc1 62a_100000210202_100000246102 [0,2,0,0,0,0|0,2,0]=4 16894 B12R1.8 CCSCCSc1ccccc1 62a_100000246102_100000210202 [0,2,0,0,0,0|0,2,0]=4 16895 B12R1.8 CCSCCSc1ccccc1 62a_100000719477_100000757381 [0,2,0,0,0,0|0,2,0]=4 16896 B12R1.8 CCSCCSc1ccccc1 62a_100000757381_100000041952 [0,2,0,0,0,0|0,2,0]=4 16897 B12R1.8 CCSCOCc1ccccc1 62a_100000210202_100000763385 [0,2,0,0,0,0|1,0,0]=3 16898 B12R1.8 CCSCOCc1ccccc1 62a_100000763385_100000210202 [0,2,0,0,0,0|1,0,0]=3 16899 B12R1.8 CCSCSCc1ccccc1 62a_100000210202_200011217039 [0,2,0,0,0,0|1,1,0]=4 16900 B12R1.8 CCSCSCc1ccccc1 62a_200011217039_100000210202 [0,2,0,0,0,0|1,1,0]=4 16901 B12R1.8 CNCCCCc1ccccc1 2230a_100015280158_200000210301 [0,2,0,0,0,0|2,0,0]=4 16902 B12R1.8 CNCCCCc1ccccc1 2230a_106832991635_100000701786 [0,2,0,0,0,0|2,0,0]=4 16903 B12R1.8 CNCCCCc1ccccc1 34a_100015280158_200000210301 [0,2,0,0,0,0|2,0,0]=4 16904 B12R1.8 CNCCCCc1ccccc1 34a_100102657272_100000701786 [0,2,0,0,0,0|2,0,0]=4 16905 B12R1.8 CNCCCCc1ccccc1 7a_106832991635_100000701786 [0,2,0,0,0,0|2,0,0]=4 16906 B12R1.8 CNCCCOc1ccccc1 2230a_100000216521_200000210301 [0,2,0,0,0,0|1,0,0]=3 16907 B12R1.8 CNCCCOc1ccccc1 2230a_106832991635_100000199009 [0,2,0,0,0,0|1,0,0]=3 16908 B12R1.8 CNCCCOc1ccccc1 34a_100000216521_200000210301 [0,2,0,0,0,0|1,0,0]=3 16909 B12R1.8 CNCCCOc1ccccc1 34a_100102657272_100000199009 [0,2,0,0,0,0|1,0,0]=3 16910 B12R1.8 CNCCCOc1ccccc1 7a_106832991635_100000199009 [0,2,0,0,0,0|1,0,0]=3 16911 B12R1.8 CNCCCSc1ccccc1 2230a_100000184639_200000210301 [0,2,0,0,0,0|1,1,0]=4 16912 B12R1.8 CNCCCSc1ccccc1 2230a_106832991635_200011203293 [0,2,0,0,0,0|1,1,0]=4 16913 B12R1.8 CNCCCSc1ccccc1 34a_100102657272_200011203293 [0,2,0,0,0,0|1,1,0]=4 16914 B12R1.8 CNCCCSc1ccccc1 7a_106832991635_200011203293 [0,2,0,0,0,0|1,1,0]=4 16915 B12R1.8 CNCCOCc1ccccc1 2230a_100000753106_200000210301 [0,2,0,0,0,0|1,0,0]=3 16916 B12R1.8 CNCCOCc1ccccc1 2230a_106832991635_100000234347 [0,2,0,0,0,0|1,0,0]=3 16917 B12R1.8 CNCCOCc1ccccc1 34a_100000753106_200000210301 [0,2,0,0,0,0|1,0,0]=3 16918 B12R1.8 CNCCOCc1ccccc1 34a_100102657272_100000234347 [0,2,0,0,0,0|1,0,0]=3 16919 B12R1.8 CNCCOCc1ccccc1 7a_106832991635_100000234347 [0,2,0,0,0,0|1,0,0]=3 16920 B12R1.8 CNCCSCc1ccccc1 2230a_100000189534_200000210301 [0,2,0,0,0,0|1,1,0]=4 16921 B12R1.8 CNCCSCc1ccccc1 2230a_106832991635_200011297719 [0,2,0,0,0,0|1,1,0]=4 16922 B12R1.8 CNCCSCc1ccccc1 34a_100000189534_200000210301 [0,2,0,0,0,0|1,1,0]=4 16923 B12R1.8 CNCCSCc1ccccc1 34a_100102657272_200011297719 [0,2,0,0,0,0|1,1,0]=4 16924 B12R1.8 CNCCSCc1ccccc1 7a_100000189534_200000210301 [0,2,0,0,0,0|1,1,0]=4 16925 B12R1.8 COCCC#Cc1ccccc1 34a_100000760064_200000210301 [0,2,0,0,0,0|1,0,0]=3 16926 B12R1.8 COCCC#Cc1ccccc1 7a_100000760064_200000210301 [0,2,0,0,0,0|1,0,0]=3 16927 B12R1.8 COCCC#Cc1ccccn1 34a_200011894334_200000210301 [0,2,0,0,0,0|2,0,0]=4 16928 B12R1.8 COCCC#Cc1cccnc1 34a_200011376248_200000210301 [0,2,0,0,0,0|2,0,0]=4 16929 B12R1.8 COCCC#Cc1ccncc1 34a_100011894394_200000210301 [0,2,0,0,0,0|2,0,0]=4 16930 B12R1.8 COCCCCc1ccccc1 34a_100000703073_200000210301 [0,2,0,0,0,0|1,0,0]=3 16931 B12R1.8 COCCCCc1ccccc1 34a_100138415774_100000701786 [0,2,0,0,0,0|1,0,0]=3 16932 B12R1.8 COCCCCc1ccccc1 7a_100000703073_200000210301 [0,2,0,0,0,0|1,0,0]=3 16933 B12R1.8 COCCCCc1ccccn1 34a_100012186994_200000210301 [0,2,0,0,0,0|2,0,0]=4 16934 B12R1.8 COCCCCc1cccnc1 34a_100012039607_200000210301 [0,2,0,0,0,0|2,0,0]=4 16935 B12R1.8 COCCCCc1cccnc1 7a_100012039607_200000210301 [0,2,0,0,0,0|2,0,0]=4 16936 B12R1.8 COCCCCc1ccncc1 34a_100011787716_200000210301 [0,2,0,0,0,0|2,0,0]=4 16937 B12R1.8 COCCCNc1ccccc1 34a_100000106764_100000740836 [0,2,0,0,0,0|1,0,0]=3 16938 B12R1.8 COCCCNc1ccccc1 34a_100000212590_200000210301 [0,2,0,0,0,0|1,0,0]=3 16939 B12R1.8 COCCCOc1ccccc1 34a_100000210340_100000740836 [0,2,0,0,0,0|0,0,0]=2 16940 B12R1.8 COCCCOc1ccccc1 34a_100011215863_200000210301 [0,2,0,0,0,0|0,0,0]=2 16941 B12R1.8 COCCCOc1ccccc1 34a_100138415774_100000199009 [0,2,0,0,0,0|0,0,0]=2 16942 B12R1.8 COCCCOc1ccccc1 7a_100000210340_100000740836 [0,2,0,0,0,0|0,0,0]=2 16943 B12R1.8 COCCCOc1ccccc1 7a_100011215863_200000210301 [0,2,0,0,0,0|0,0,0]=2 16944 B12R1.8 COCCCOc1cccnc1 34a_100000210849_100000740836 [0,2,0,0,0,0|1,0,0]=3 16945 B12R1.8 COCCCOc1cccnc1 7a_100000210849_100000740836 [0,2,0,0,0,0|1,0,0]=3 16946 B12R1.8 COCCCOc1ccncc1 34a_100000212176_100000740836 [0,2,0,0,0,0|1,0,0]=3 16947 B12R1.8 COCCCOc1ccnnc1 34a_100015204005_100000740836 [0,2,0,0,0,0|2,0,0]=4 16948 B12R1.8 COCCCOc1cncnc1 7a_100000754086_100000740836 [0,2,0,0,0,0|2,0,0]=4 16949 B12R1.8 COCCCSc1ccccc1 34a_100138415774_200011203293 [0,2,0,0,0,0|0,1,0]=3 16950 B12R1.8 COCCCSc1ccccc1 62a_100000709357_100000041952 [0,2,0,0,0,0|0,1,0]=3 16951 B12R1.8 COCCCSc1ccccc1 62a_100000719477_100000709357 [0,2,0,0,0,0|0,1,0]=3 16952 B12R1.8 COCCCSc1ccccn1 62a_100000709357_100011216584 [0,2,0,0,0,0|1,1,0]=4 16953 B12R1.8 COCCCSc1ccccn1 62a_100011216584_100000709357 [0,2,0,0,0,0|1,1,0]=4 16954 B12R1.8 COCCCSc1cccnc1 62a_100000210063_100000709357 [0,2,0,0,0,0|1,1,0]=4 16955 B12R1.8 COCCCSc1cccnc1 62a_100000709357_100000210063 [0,2,0,0,0,0|1,1,0]=4 16956 B12R1.8 COCCCSc1ccncc1 62a_100000709357_100000728582 [0,2,0,0,0,0|1,1,0]=4 16957 B12R1.8 COCCCSc1ccncc1 62a_100000728582_100000709357 [0,2,0,0,0,0|1,1,0]=4 16958 B12R1.8 COCCNCc1ccccc1 207a_100000209980_100015611070 [0,2,0,0,0,0|1,0,0]=3 16959 B12R1.8 COCCNCc1ccccc1 2230a_100000209980_100015291786 [0,2,0,0,0,0|1,0,0]=3 16960 B12R1.8 COCCNCc1ccccc1 2230a_100015324214_100011201679 [0,2,0,0,0,0|1,0,0]=3 16961 B12R1.8 COCCNCc1ccccc1 270004a_100000209980_100015611070 [0,2,0,0,0,0|1,0,0]=3 16962 B12R1.8 COCCNCc1ccccc1 34a_100000180844_200000210301 [0,2,0,0,0,0|1,0,0]=3 16963 B12R1.8 COCCNCc1ccccc1 34a_100015324214_100011201679 [0,2,0,0,0,0|1,0,0]=3 16964 B12R1.8 COCCNCc1ccccn1 207a_100000209980_100000209966 [0,2,0,0,0,0|2,0,0]=4 16965 B12R1.8 COCCNCc1ccccn1 2230a_100000209980_100000721315 [0,2,0,0,0,0|2,0,0]=4 16966 B12R1.8 COCCNCc1ccccn1 270004a_100000209980_100000209966 [0,2,0,0,0,0|2,0,0]=4 16967 B12R1.8 COCCNCc1cccnc1 207a_100000209980_100000209961 [0,2,0,0,0,0|2,0,0]=4 16968 B12R1.8 COCCNCc1cccnc1 2230a_100000209980_100000741622 [0,2,0,0,0,0|2,0,0]=4 16969 B12R1.8 COCCNCc1cccnc1 270004a_100000209980_100000209961 [0,2,0,0,0,0|2,0,0]=4 16970 B12R1.8 COCCNCc1ccncc1 207a_100000209980_100000186114 [0,2,0,0,0,0|2,0,0]=4 16971 B12R1.8 COCCNCc1ccncc1 2230a_100000209980_100015193705 [0,2,0,0,0,0|2,0,0]=4 16972 B12R1.8 COCCOCc1ccccc1 34a_100000210237_100015291786 [0,2,0,0,0,0|0,0,0]=2 16973 B12R1.8 COCCOCc1ccccc1 34a_100000210790_100011201679 [0,2,0,0,0,0|0,0,0]=2 16974 B12R1.8 COCCOCc1ccccc1 34a_100000759325_200000210301 [0,2,0,0,0,0|0,0,0]=2 16975 B12R1.8 COCCOCc1ccccc1 34a_100138415774_100000234347 [0,2,0,0,0,0|0,0,0]=2 16976 B12R1.8 COCCOCc1ccccc1 7a_100000210790_100000233755 [0,2,0,0,0,0|0,0,0]=2 16977 B12R1.8 COCCOCc1ccccc1 7a_100000759325_200000210301 [0,2,0,0,0,0|0,0,0]=2 16978 B12R1.8 COCCOCc1ccccn1 34a_100000210237_100000721315 [0,2,0,0,0,0|1,0,0]=3 16979 B12R1.8 COCCOCc1cccnc1 34a_100000210237_100000733263 [0,2,0,0,0,0|1,0,0]=3 16980 B12R1.8 COCCOCc1cccnn1 34a_100000210237_100016990269 [0,2,0,0,0,0|2,0,0]=4 16981 B12R1.8 COCCOCc1cnccn1 34a_100000210237_100016995436 [0,2,0,0,0,0|2,0,0]=4 16982 B12R1.8 COCCOCc1cncnc1 34a_100000210237_100015196519 [0,2,0,0,0,0|2,0,0]=4 16983 B12R1.8 COCCOCc1ncccn1 34a_100000210237_100000703007 [0,2,0,0,0,0|2,0,0]=4 16984 B12R1.8 COCCSCc1ccccc1 34a_100011205989_200000210301 [0,2,0,0,0,0|0,1,0]=3 16985 B12R1.8 COCCSCc1ccccc1 34a_100138415774_200011297719 [0,2,0,0,0,0|0,1,0]=3 16986 B12R1.8 COCCSCc1ccccc1 62a_100000211182_100000233755 [0,2,0,0,0,0|0,1,0]=3 16987 B12R1.8 COCCSCc1ccccc1 62a_100000233755_100015291786 [0,2,0,0,0,0|0,1,0]=3 16988 B12R1.8 COCCSCc1ccccc1 7a_100011205989_200000210301 [0,2,0,0,0,0|0,1,0]=3 16989 B12R1.8 COCCSCc1ccccn1 62a_100000233755_100000721315 [0,2,0,0,0,0|1,1,0]=4 16990 B12R1.8 COCCSCc1ccccn1 62a_100000721315_100000233755 [0,2,0,0,0,0|1,1,0]=4 16991 B12R1.8 COCCSCc1cccnc1 62a_100000233755_100000741622 [0,2,0,0,0,0|1,1,0]=4 16992 B12R1.8 COCCSCc1cccnc1 62a_100000741622_100000233755 [0,2,0,0,0,0|1,1,0]=4 16993 B12R1.8 COCCSCc1ccncc1 62a_100000233755_100015193705 [0,2,0,0,0,0|1,1,0]=4 16994 B12R1.8 COCCSCc1ccncc1 62a_100015193705_100000233755 [0,2,0,0,0,0|1,1,0]=4 16995 B12R1.8 COCCSSc1ccccn1 7a_100009993218_200000210301 [0,2,0,0,0,0|1,1,0]=4 16996 B12R1.8 COCNCCc1ccccc1 2230a_100000106460_100000766300 [0,2,0,0,0,0|1,0,0]=3 16997 B12R1.8 COCNCCc1cccnc1 2230a_100000736294_100000766300 [0,2,0,0,0,0|2,0,0]=4 16998 B12R1.8 COCSCCc1ccccc1 62a_100000765856_100000766300 [0,2,0,0,0,0|1,0,0]=3 16999 B12R1.8 COCSCCc1ccccc1 62a_100000766300_100011218657 [0,2,0,0,0,0|1,0,0]=3 17000 B12R1.8 COCSCCc1ccccn1 62a_100000766300_100015183660 [0,2,0,0,0,0|2,0,0]=4 17001 B12R1.8 COCSCCc1ccccn1 62a_100015183660_100000766300 [0,2,0,0,0,0|2,0,0]=4 17002 B12R1.8 COCSCCc1cccnc1 62a_100000766300_200011713674 [0,2,0,0,0,0|2,0,0]=4 17003 B12R1.8 COCSCCc1cccnc1 62a_200011713674_100000766300 [0,2,0,0,0,0|2,0,0]=4 17004 B12R1.8 COCSCCc1ccncc1 62a_100000723409_100000766300 [0,2,0,0,0,0|2,0,0]=4 17005 B12R1.8 COCSCCc1ccncc1 62a_100000766300_100000723409 [0,2,0,0,0,0|2,0,0]=4 17006 B12R1.8 COCSCSc1ccccc1 62a_100000766300_100011218342 [0,2,0,0,0,0|0,1,0]=3 17007 B12R1.8 COCSCSc1ccccc1 62a_100011218342_100000766300 [0,2,0,0,0,0|0,1,0]=3 17008 B12R1.8 CSCCCCc1ccccc1 62a_100000701786_200000210301 [0,2,0,0,0,0|1,1,0]=4 17009 B12R1.8 CSCCCCc1ccccc1 62a_200000210301_100000701786 [0,2,0,0,0,0|1,1,0]=4 17010 B12R1.8 CSCCCOc1ccccc1 62a_100000199009_200000210301 [0,2,0,0,0,0|0,1,0]=3 17011 B12R1.8 CSCCCOc1ccccc1 62a_200000210301_100000199009 [0,2,0,0,0,0|0,1,0]=3 17012 B12R1.8 CSCCCSc1ccccc1 62a_200000210301_200011203293 [0,2,0,0,0,0|0,2,0]=4 17013 B12R1.8 CSCCCSc1ccccc1 62a_200011203293_200000210301 [0,2,0,0,0,0|0,2,0]=4 17014 B12R1.8 CSCCNCc1ccccc1 207a_100020590264_100015611070 [0,2,0,0,0,0|1,1,0]=4 17015 B12R1.8 CSCCNCc1ccccc1 2230a_100015324214_100000751147 [0,2,0,0,0,0|1,1,0]=4 17016 B12R1.8 CSCCNCc1ccccc1 2230a_100020590264_100015291786 [0,2,0,0,0,0|1,1,0]=4 17017 B12R1.8 CSCCNCc1ccccc1 270004a_100020590264_100015611070 [0,2,0,0,0,0|1,1,0]=4 17018 B12R1.8 CSCCNCc1ccccc1 34a_100015324214_100000212216 [0,2,0,0,0,0|1,1,0]=4 17019 B12R1.8 CSCCOCc1ccccc1 34a_100000210790_100000212216 [0,2,0,0,0,0|0,1,0]=3 17020 B12R1.8 CSCCOCc1ccccc1 34a_100000230434_100015291786 [0,2,0,0,0,0|0,1,0]=3 17021 B12R1.8 CSCCOCc1ccccc1 62a_100000234347_200000210301 [0,2,0,0,0,0|0,1,0]=3 17022 B12R1.8 CSCCOCc1ccccc1 62a_200000210301_100000234347 [0,2,0,0,0,0|0,1,0]=3 17023 B12R1.8 CSCCOCc1ccccc1 7a_100000210790_100000212216 [0,2,0,0,0,0|0,1,0]=3 17024 B12R1.8 CSCCOCc1ccccc1 7a_100000230434_100000211182 [0,2,0,0,0,0|0,1,0]=3 17025 B12R1.8 CSCCOCc1ccccn1 34a_100000230434_100000721315 [0,2,0,0,0,0|1,1,0]=4 17026 B12R1.8 CSCCOCc1ccccn1 7a_100000230434_100000721315 [0,2,0,0,0,0|1,1,0]=4 17027 B12R1.8 CSCCOCc1cccnc1 34a_100000230434_100000733263 [0,2,0,0,0,0|1,1,0]=4 17028 B12R1.8 CSCCOCc1cccnc1 7a_100000230434_100000741622 [0,2,0,0,0,0|1,1,0]=4 17029 B12R1.8 CSCCOCc1ccncc1 7a_100000230434_100015193705 [0,2,0,0,0,0|1,1,0]=4 17030 B12R1.8 CSCCSCc1ccccc1 62a_100000211182_100000751147 [0,2,0,0,0,0|0,2,0]=4 17031 B12R1.8 CSCCSCc1ccccc1 62a_100000212216_100015291786 [0,2,0,0,0,0|0,2,0]=4 17032 B12R1.8 CSCCSCc1ccccc1 62a_200000210301_200011297719 [0,2,0,0,0,0|0,2,0]=4 17033 B12R1.8 CSCCSCc1ccccc1 62a_200011297719_200000210301 [0,2,0,0,0,0|0,2,0]=4 17034 B12R1.8 CSCNCCc1ccccc1 2230a_100000106460_100011218213 [0,2,0,0,0,0|1,1,0]=4 17035 B12R1.8 CSCNCCc1ccccc1 34a_100000106460_100011218213 [0,2,0,0,0,0|1,1,0]=4 17036 B12R1.8 CSCOCCc1ccccc1 34a_100000210268_100011218213 [0,2,0,0,0,0|1,1,0]=4 17037 B12R1.8 CSCSCCc1ccccc1 62a_100000765856_100011218213 [0,2,0,0,0,0|1,1,0]=4 17038 B12R1.8 CSCSCCc1ccccc1 62a_100011218213_100011218657 [0,2,0,0,0,0|1,1,0]=4 17039 B12R1.8 CSCSCSc1ccccc1 62a_100011218213_100011218342 [0,2,0,0,0,0|0,2,0]=4 17040 B12R1.8 CSCSCSc1ccccc1 62a_100011218342_100011218213 [0,2,0,0,0,0|0,2,0]=4 17041 B12R1.8 ClCCCOCc1ccccc1 34a_100000230001_100015291786 [0,2,0,0,0,0|1,0,0]=3 17042 B12R1.8 ClCCCOCc1ccccn1 34a_100000230001_100000721315 [0,2,0,0,0,0|2,0,0]=4 17043 B12R1.8 ClCCCOCc1cccnc1 34a_100000230001_100000733263 [0,2,0,0,0,0|2,0,0]=4 17044 B12R1.8 FCCCCNc1ccccc1 34a_100000106764_100000729493 [0,2,0,0,0,0|2,0,0]=4 17045 B12R1.8 FCCCCOc1ccccc1 34a_100000210340_100000729493 [0,2,0,0,0,0|1,0,0]=3 17046 B12R1.8 FCCCCOc1ccccc1 7a_100000210340_100000729493 [0,2,0,0,0,0|1,0,0]=3 17047 B12R1.8 FCCCCOc1cccnc1 34a_100000210849_100000729493 [0,2,0,0,0,0|2,0,0]=4 17048 B12R1.8 FCCCCOc1cccnc1 7a_100000210849_100000729493 [0,2,0,0,0,0|2,0,0]=4 17049 B12R1.8 FCCCCOc1ccncc1 34a_100000212176_100000729493 [0,2,0,0,0,0|2,0,0]=4 17050 B12R1.8 FCCCCSc1ccccc1 62a_100000719477_100000729493 [0,2,0,0,0,0|1,1,0]=4 17051 B12R1.8 FCCCCSc1ccccc1 62a_100000729493_100000041952 [0,2,0,0,0,0|1,1,0]=4 17052 B12R1.8 FCCCNCc1ccccc1 207a_100015189416_100015611070 [0,2,0,0,0,0|2,0,0]=4 17053 B12R1.8 FCCCNCc1ccccc1 2230a_100015189416_100015291786 [0,2,0,0,0,0|2,0,0]=4 17054 B12R1.8 FCCCNCc1ccccc1 2230a_100015324214_100011934791 [0,2,0,0,0,0|2,0,0]=4 17055 B12R1.8 FCCCNCc1ccccc1 270004a_100015189416_100015611070 [0,2,0,0,0,0|2,0,0]=4 17056 B12R1.8 FCCCNCc1ccccc1 34a_100015189416_100015291786 [0,2,0,0,0,0|2,0,0]=4 17057 B12R1.8 FCCCNCc1ccccc1 34a_100015324214_100011934791 [0,2,0,0,0,0|2,0,0]=4 17058 B12R1.8 FCCCOCc1ccccc1 34a_100000210790_100011934791 [0,2,0,0,0,0|1,0,0]=3 17059 B12R1.8 FCCCOCc1ccccc1 34a_100000759539_100015291786 [0,2,0,0,0,0|1,0,0]=3 17060 B12R1.8 FCCCOCc1ccccc1 7a_100000210790_100011934791 [0,2,0,0,0,0|1,0,0]=3 17061 B12R1.8 FCCCOCc1ccccn1 34a_100000759539_100000721315 [0,2,0,0,0,0|2,0,0]=4 17062 B12R1.8 FCCCOCc1cccnc1 34a_100000759539_100000733263 [0,2,0,0,0,0|2,0,0]=4 17063 B12R1.8 FCCCSCc1ccccc1 62a_100000211182_100011934791 [0,2,0,0,0,0|1,1,0]=4 17064 B12R1.8 FCCCSCc1ccccc1 62a_100011934791_100015291786 [0,2,0,0,0,0|1,1,0]=4 17065 B12R1.8 FCCNCCc1ccccc1 2230a_100000106460_100011217306 [0,2,0,0,0,0|2,0,0]=4 17066 B12R1.8 FCCNCCc1ccccc1 34a_100000106460_100011217306 [0,2,0,0,0,0|2,0,0]=4 17067 B12R1.8 FCCNCCc1ccccc1 34a_100000724931_100000765856 [0,2,0,0,0,0|2,0,0]=4 17068 B12R1.8 FCCOCCc1ccccc1 34a_100000210268_100011217306 [0,2,0,0,0,0|1,0,0]=3 17069 B12R1.8 FCCOCCc1ccccc1 7a_100000210268_100011217306 [0,2,0,0,0,0|1,0,0]=3 17070 B12R1.8 FCCOCCc1ccccn1 34a_100000210271_100011217306 [0,2,0,0,0,0|2,0,0]=4 17071 B12R1.8 FCCOCCc1cccnc1 34a_100011217484_100011217306 [0,2,0,0,0,0|2,0,0]=4 17072 B12R1.8 FCCOCCc1ccncc1 34a_100011216225_100011217306 [0,2,0,0,0,0|2,0,0]=4 17073 B12R1.8 FCCSCCc1ccccc1 62a_100000765856_100011217306 [0,2,0,0,0,0|1,1,0]=4 17074 B12R1.8 FCCSCCc1ccccc1 62a_100011217306_100011218657 [0,2,0,0,0,0|1,1,0]=4 17075 B12R1.8 FCCSCSc1ccccc1 62a_100011217306_100011218342 [0,2,0,0,0,0|1,1,0]=4 17076 B12R1.8 FCCSCSc1ccccc1 62a_100011218342_100011217306 [0,2,0,0,0,0|1,1,0]=4 17077 B12R1.8 FCNC/C=C/c1ccccc1 34a_100020603302_100015361967 [0,2,0,0,0,0|2,0,0]=4 17078 B12R1.8 FCNCC#Cc1ccccc1 34a_100000735379_100015361967 [0,2,0,0,0,0|2,0,0]=4 17079 B12R1.8 FCNCCCc1ccccc1 34a_100000211184_100015361967 [0,2,0,0,0,0|2,0,0]=4 17080 B12R1.8 FCNCCOc1ccccc1 34a_100000174943_100015361967 [0,2,0,0,0,0|1,0,0]=3 17081 B12R1.8 FCOC/C=C/c1ccccc1 34a_100000210256_100015361967 [0,2,0,0,0,0|1,0,1]=4 17082 B12R1.8 FCOCC#Cc1ccccc1 34a_100011217464_100015361967 [0,2,0,0,0,0|1,0,1]=4 17083 B12R1.8 FCOCC#Cc1ccccc1 7a_100011217464_100015361967 [0,2,0,0,0,0|1,0,1]=4 17084 B12R1.8 FCOCCCc1ccccc1 34a_100000210828_100015361967 [0,2,0,0,0,0|1,0,0]=3 17085 B12R1.8 FCOCCCc1ccccc1 7a_100000210828_100015361967 [0,2,0,0,0,0|1,0,0]=3 17086 B12R1.8 FCOCCCc1ccccn1 34a_100011215068_100015361967 [0,2,0,0,0,0|2,0,0]=4 17087 B12R1.8 FCOCCCc1cccnc1 34a_100000211284_100015361967 [0,2,0,0,0,0|2,0,0]=4 17088 B12R1.8 FCOCCCc1ccncc1 34a_100000210659_100015361967 [0,2,0,0,0,0|2,0,0]=4 17089 B12R1.8 FCOCCNc1ccccc1 34a_100000211345_100015361967 [0,2,0,0,0,0|1,0,0]=3 17090 B12R1.8 FCOCCNc1ccncc1 34a_200011243140_100015361967 [0,2,0,0,0,0|2,0,0]=4 17091 B12R1.8 FCOCCOc1ccccc1 34a_100000210260_100015361967 [0,2,0,0,0,0|0,0,0]=2 17092 B12R1.8 FCOCCOc1ccccc1 7a_100000210260_100015361967 [0,2,0,0,0,0|0,0,0]=2 17093 B12R1.8 FCOCCSc1ccccc1 7a_100000230494_100015361967 [0,2,0,0,0,0|0,1,0]=3 17094 B12R1.8 FCOCCSc1ccccn1 7a_100000156319_100015361967 [0,2,0,0,0,0|1,1,0]=4 17095 B12R1.8 FCSC/C=C/c1ccccc1 62a_100015361967_100016265936 [0,2,0,0,0,0|2,0,0]=4 17096 B12R1.8 FCSC/C=C/c1ccccc1 62a_100016265936_100015361967 [0,2,0,0,0,0|2,0,0]=4 17097 B12R1.8 FCSCC#Cc1ccccc1 62a_100015361967_100011352542 [0,2,0,0,0,0|2,0,0]=4 17098 B12R1.8 FCSCCCc1ccccc1 62a_100000211621_100015361967 [0,2,0,0,0,0|1,1,0]=4 17099 B12R1.8 FCSCCCc1ccccc1 62a_100015361967_100000211621 [0,2,0,0,0,0|1,1,0]=4 17100 B12R1.8 FCSCCOc1ccccc1 62a_100000184471_100015361967 [0,2,0,0,0,0|0,1,0]=3 17101 B12R1.8 FCSCCOc1ccccc1 62a_100015361967_100000184471 [0,2,0,0,0,0|0,1,0]=3 17102 B12R1.8 FCSCCSc1ccccc1 62a_100000246102_100015361967 [0,2,0,0,0,0|0,2,0]=4 17103 B12R1.8 FCSCCSc1ccccc1 62a_100015361967_100000246102 [0,2,0,0,0,0|0,2,0]=4 17104 B12R1.8 FCSCOCc1ccccc1 62a_100000763385_100015361967 [0,2,0,0,0,0|1,0,0]=3 17105 B12R1.8 FCSCOCc1ccccc1 62a_100015361967_100000763385 [0,2,0,0,0,0|1,0,0]=3 17106 B12R1.8 FCSCSCc1ccccc1 62a_100015361967_200011217039 [0,2,0,0,0,0|1,1,0]=4 17107 B12R1.8 FCSCSCc1ccccc1 62a_200011217039_100015361967 [0,2,0,0,0,0|1,1,0]=4 17108 B12R1.8 N#CCCCOc1ccccc1 7a_100000210340_100000687738 [0,2,0,0,0,0|1,0,0]=3 17109 B12R1.8 N#CCCCOc1cccnc1 7a_100000210849_100000687738 [0,2,0,0,0,0|2,0,0]=4 17110 B12R1.8 N#CCCCSc1ccccc1 62a_100000687738_100000041952 [0,2,0,0,0,0|1,1,0]=4 17111 B12R1.8 N#CCCCSc1ccccc1 62a_100000719477_100000687738 [0,2,0,0,0,0|1,1,0]=4 17112 B12R1.8 N#CCCNCc1ccccc1 2230a_100015324214_100011215226 [0,2,0,0,0,0|2,0,0]=4 17113 B12R1.8 N#CCCNCc1ccccc1 270004a_100000720768_100015611070 [0,2,0,0,0,0|2,0,0]=4 17114 B12R1.8 N#CCCOCc1ccccc1 7a_100000210790_100000184422 [0,2,0,0,0,0|1,0,0]=3 17115 B12R1.8 N#CCCSCc1ccccc1 62a_100000211182_100011215226 [0,2,0,0,0,0|1,1,0]=4 17116 B12R1.8 N#CCCSCc1ccccc1 62a_100011215226_100015291786 [0,2,0,0,0,0|1,1,0]=4 17117 B12R1.8 N#CCNCCc1ccccc1 2230a_100000106460_100011215382 [0,2,0,0,0,0|2,0,0]=4 17118 B12R1.8 N#CCOCCc1ccccc1 7a_100000210268_100011215382 [0,2,0,0,0,0|1,0,1]=4 17119 B12R1.8 N#CCSCCc1ccccc1 62a_100000765856_100011215382 [0,2,0,0,0,0|2,0,0]=4 17120 B12R1.8 N#CCSCCc1ccccc1 62a_100011215382_100011218657 [0,2,0,0,0,0|2,0,0]=4 17121 B12R1.8 N#CCSCSc1ccccc1 62a_100011215382_100011218342 [0,2,0,0,0,0|1,1,0]=4 17122 B12R1.8 N#CCSCSc1ccccc1 62a_100011218342_100011215382 [0,2,0,0,0,0|1,1,0]=4 17123 B12R1.8 N#CSCCSc1ccccc1 62a_100000034367_100000041952 [0,2,0,0,0,0|0,2,0]=4 17124 B12R1.8 N#CSCCSc1ccccc1 62a_100000719477_100000034367 [0,2,0,0,0,0|0,2,0]=4 17125 B12R1.8 NCCCOCc1ccccc1 34a_100000182051_100015291786 [0,2,0,0,0,0|1,0,0]=3 17126 B12R1.8 NCCCOCc1ccccn1 34a_100000182051_100000721315 [0,2,0,0,0,0|2,0,0]=4 17127 B12R1.8 NCCCOCc1cccnc1 34a_100000182051_100000733263 [0,2,0,0,0,0|2,0,0]=4 17128 B12R1.8 NCCOCCc1ccccc1 34a_100000210304_100000765856 [0,2,0,0,0,0|1,0,0]=3 17129 B12R1.8 NOCCOCc1ccccc1 34a_100000700252_100015291786 [0,2,0,0,0,0|0,0,0]=2 17130 B12R1.8 NOCCOCc1ccccn1 34a_100000700252_100000721315 [0,2,0,0,0,0|1,0,0]=3 17131 B12R1.8 NOCCOCc1cccnc1 34a_100000700252_100000733263 [0,2,0,0,0,0|1,0,0]=3 17132 B12R1.8 NOCCOCc1cccnn1 34a_100000700252_100016990269 [0,2,0,0,0,0|2,0,0]=4 17133 B12R1.8 NOCCOCc1cnccn1 34a_100000700252_100016995436 [0,2,0,0,0,0|2,0,0]=4 17134 B12R1.8 NOCCOCc1cncnc1 34a_100000700252_100015196519 [0,2,0,0,0,0|2,0,0]=4 17135 B12R1.8 NOCCOCc1ncccn1 34a_100000700252_100000703007 [0,2,0,0,0,0|2,0,0]=4 17136 B12R1.8 O=CCCCOc1ccccc1 7a_100000210340_200011292268 [0,2,0,0,0,0|0,0,1]=3 17137 B12R1.8 O=CCCCOc1cccnc1 7a_100000210849_200011292268 [0,2,0,0,0,0|1,0,1]=4 17138 B12R1.8 O=CCCCSc1ccccc1 62a_100000719477_200011292268 [0,2,0,0,0,0|0,1,1]=4 17139 B12R1.8 O=CCCCSc1ccccc1 62a_200011292268_100000041952 [0,2,0,0,0,0|0,1,1]=4 17140 B12R1.8 O=CCNCCc1ccccc1 2230a_100000106460_200015260668 [0,2,0,0,0,0|1,0,1]=4 17141 B12R1.8 O=CCNCCc1ccccc1 34a_100000106460_200009817547 [0,2,0,0,0,0|1,0,1]=4 17142 B12R1.8 O=CCOCCc1ccccc1 34a_100000210268_200009817547 [0,2,0,0,0,0|0,0,2]=4 17143 B12R1.8 O=CCOCCc1ccccc1 7a_100000210268_200015260668 [0,2,0,0,0,0|0,0,2]=4 17144 B12R1.8 O=CCSCCc1ccccc1 62a_100000765856_200015260668 [0,2,0,0,0,0|1,0,1]=4 17145 B12R1.8 O=CCSCCc1ccccc1 62a_200015260668_100011218657 [0,2,0,0,0,0|1,0,1]=4 17146 B12R1.8 O=CCSCSc1ccccc1 62a_100011218342_200015260668 [0,2,0,0,0,0|0,1,1]=4 17147 B12R1.8 O=CCSCSc1ccccc1 62a_200015260668_100011218342 [0,2,0,0,0,0|0,1,1]=4 17148 B12R1.8 OCC#CCNc1ccccc1 34a_100000106764_200000047223 [0,2,0,0,0,0|1,0,0]=3 17149 B12R1.8 OCC#CCOc1ccccc1 34a_100000210340_200000047223 [0,2,0,0,0,0|0,0,0]=2 17150 B12R1.8 OCC#CCOc1ccccc1 7a_100000210340_200000047223 [0,2,0,0,0,0|0,0,0]=2 17151 B12R1.8 OCC#CCOc1cccnc1 34a_100000210849_200000047223 [0,2,0,0,0,0|1,0,0]=3 17152 B12R1.8 OCC#CCOc1cccnc1 7a_100000210849_200000047223 [0,2,0,0,0,0|1,0,0]=3 17153 B12R1.8 OCC#CCOc1ccncc1 34a_100000212176_200000047223 [0,2,0,0,0,0|1,0,0]=3 17154 B12R1.8 OCC#CCOc1ccnnc1 34a_100015204005_200000047223 [0,2,0,0,0,0|2,0,0]=4 17155 B12R1.8 OCC#CCOc1cncnc1 7a_100000754086_200000047223 [0,2,0,0,0,0|2,0,0]=4 17156 B12R1.8 OCC#CCSc1ccccc1 62a_100000719477_200000047223 [0,2,0,0,0,0|0,1,0]=3 17157 B12R1.8 OCC#CCSc1ccccc1 62a_200000047223_100000041952 [0,2,0,0,0,0|0,1,0]=3 17158 B12R1.8 OCC#CCSc1ccccn1 62a_100011216584_200000047223 [0,2,0,0,0,0|1,1,0]=4 17159 B12R1.8 OCC#CCSc1ccccn1 62a_200000047223_100011216584 [0,2,0,0,0,0|1,1,0]=4 17160 B12R1.8 OCC#CCSc1cccnc1 62a_100000210063_200000047223 [0,2,0,0,0,0|1,1,0]=4 17161 B12R1.8 OCC#CCSc1cccnc1 62a_200000047223_100000210063 [0,2,0,0,0,0|1,1,0]=4 17162 B12R1.8 OCC#CCSc1ccncc1 62a_100000728582_200000047223 [0,2,0,0,0,0|1,1,0]=4 17163 B12R1.8 OCC#CCSc1ccncc1 62a_200000047223_100000728582 [0,2,0,0,0,0|1,1,0]=4 17164 B12R1.8 OCCCCNc1ccccc1 34a_100000106764_100011216708 [0,2,0,0,0,0|1,0,0]=3 17165 B12R1.8 OCCCCOc1ccccc1 34a_100000210340_100011216708 [0,2,0,0,0,0|0,0,0]=2 17166 B12R1.8 OCCCCOc1ccccc1 7a_100000210340_100000210776 [0,2,0,0,0,0|0,0,0]=2 17167 B12R1.8 OCCCCOc1cccnc1 34a_100000210849_100011216708 [0,2,0,0,0,0|1,0,0]=3 17168 B12R1.8 OCCCCOc1cccnc1 7a_100000210849_100000210776 [0,2,0,0,0,0|1,0,0]=3 17169 B12R1.8 OCCCCOc1ccncc1 34a_100000212176_100011216708 [0,2,0,0,0,0|1,0,0]=3 17170 B12R1.8 OCCCCOc1ccnnc1 34a_100015204005_100011216708 [0,2,0,0,0,0|2,0,0]=4 17171 B12R1.8 OCCCCOc1cncnc1 7a_100000754086_100000210776 [0,2,0,0,0,0|2,0,0]=4 17172 B12R1.8 OCCCCSc1ccccc1 62a_100000210776_100000041952 [0,2,0,0,0,0|0,1,0]=3 17173 B12R1.8 OCCCCSc1ccccc1 62a_100000719477_100000210776 [0,2,0,0,0,0|0,1,0]=3 17174 B12R1.8 OCCCCSc1ccccn1 62a_100000210776_100011216584 [0,2,0,0,0,0|1,1,0]=4 17175 B12R1.8 OCCCCSc1ccccn1 62a_100011216584_100000210776 [0,2,0,0,0,0|1,1,0]=4 17176 B12R1.8 OCCCCSc1cccnc1 62a_100000210063_100000210776 [0,2,0,0,0,0|1,1,0]=4 17177 B12R1.8 OCCCCSc1cccnc1 62a_100000210776_100000210063 [0,2,0,0,0,0|1,1,0]=4 17178 B12R1.8 OCCCCSc1ccncc1 62a_100000210776_100000728582 [0,2,0,0,0,0|1,1,0]=4 17179 B12R1.8 OCCCCSc1ccncc1 62a_100000728582_100000210776 [0,2,0,0,0,0|1,1,0]=4 17180 B12R1.8 OCCCNCc1ccccc1 207a_100000182051_100015611070 [0,2,0,0,0,0|1,0,0]=3 17181 B12R1.8 OCCCNCc1ccccc1 2230a_100015324214_100000230001 [0,2,0,0,0,0|1,0,0]=3 17182 B12R1.8 OCCCNCc1ccccc1 270004a_100000182051_100015611070 [0,2,0,0,0,0|1,0,0]=3 17183 B12R1.8 OCCCNCc1ccccc1 34a_100015324214_100000230001 [0,2,0,0,0,0|1,0,0]=3 17184 B12R1.8 OCCCNCc1ccccn1 207a_100000182051_100000209966 [0,2,0,0,0,0|2,0,0]=4 17185 B12R1.8 OCCCNCc1ccccn1 270004a_100000182051_100000209966 [0,2,0,0,0,0|2,0,0]=4 17186 B12R1.8 OCCCNCc1cccnc1 207a_100000182051_100000209961 [0,2,0,0,0,0|2,0,0]=4 17187 B12R1.8 OCCCNCc1cccnc1 270004a_100000182051_100000209961 [0,2,0,0,0,0|2,0,0]=4 17188 B12R1.8 OCCCNCc1ccncc1 207a_100000182051_100000186114 [0,2,0,0,0,0|2,0,0]=4 17189 B12R1.8 OCCCOCc1ccccc1 34a_100000210790_100000230001 [0,2,0,0,0,0|0,0,0]=2 17190 B12R1.8 OCCCOCc1ccccc1 7a_100000210790_100011215043 [0,2,0,0,0,0|0,0,0]=2 17191 B12R1.8 OCCCSCc1ccccc1 62a_100000211182_100011215043 [0,2,0,0,0,0|0,1,0]=3 17192 B12R1.8 OCCCSCc1ccccc1 62a_100011215043_100015291786 [0,2,0,0,0,0|0,1,0]=3 17193 B12R1.8 OCCCSCc1ccccn1 62a_100000721315_100011215043 [0,2,0,0,0,0|1,1,0]=4 17194 B12R1.8 OCCCSCc1ccccn1 62a_100011215043_100000721315 [0,2,0,0,0,0|1,1,0]=4 17195 B12R1.8 OCCCSCc1cccnc1 62a_100000741622_100011215043 [0,2,0,0,0,0|1,1,0]=4 17196 B12R1.8 OCCCSCc1cccnc1 62a_100011215043_100000741622 [0,2,0,0,0,0|1,1,0]=4 17197 B12R1.8 OCCCSCc1ccncc1 62a_100011215043_100015193705 [0,2,0,0,0,0|1,1,0]=4 17198 B12R1.8 OCCCSCc1ccncc1 62a_100015193705_100011215043 [0,2,0,0,0,0|1,1,0]=4 17199 B12R1.8 OCCNCCc1ccccc1 2230a_100000106460_100000211926 [0,2,0,0,0,0|1,0,0]=3 17200 B12R1.8 OCCNCCc1ccccc1 2230a_100016997473_100000765856 [0,2,0,0,0,0|1,0,0]=3 17201 B12R1.8 OCCNCCc1ccccc1 34a_100000106460_100000211926 [0,2,0,0,0,0|1,0,0]=3 17202 B12R1.8 OCCNCCc1ccccc1 34a_100016990907_100000765856 [0,2,0,0,0,0|1,0,0]=3 17203 B12R1.8 OCCNCCc1ccccn1 2230a_100016997473_100015183660 [0,2,0,0,0,0|2,0,0]=4 17204 B12R1.8 OCCNCCc1cccnc1 2230a_100000736294_100000211926 [0,2,0,0,0,0|2,0,0]=4 17205 B12R1.8 OCCNCCc1cccnc1 2230a_100016997473_200011713674 [0,2,0,0,0,0|2,0,0]=4 17206 B12R1.8 OCCNCCc1ccncc1 2230a_100016997473_100000723409 [0,2,0,0,0,0|2,0,0]=4 17207 B12R1.8 OCCNCSc1ccccc1 2230a_100016997473_100011218342 [0,2,0,0,0,0|0,1,0]=3 17208 B12R1.8 OCCNN=Cc1ccccc1 4a_100000210001_100015611070 [0,2,0,0,0,0|1,0,0]=3 17209 B12R1.8 OCCNN=Cc1ccccn1 4a_100000210001_100000209966 [0,2,0,0,0,0|2,0,0]=4 17210 B12R1.8 OCCNN=Cc1cccnc1 4a_100000210001_100000209961 [0,2,0,0,0,0|2,0,0]=4 17211 B12R1.8 OCCNN=Cc1ccncc1 4a_100000210001_100000186114 [0,2,0,0,0,0|2,0,0]=4 17212 B12R1.8 OCCOCCc1ccccc1 34a_100000210268_100000211926 [0,2,0,0,0,0|0,0,0]=2 17213 B12R1.8 OCCOCCc1ccccc1 7a_100000210268_100000211926 [0,2,0,0,0,0|0,0,0]=2 17214 B12R1.8 OCCOCCc1ccccn1 34a_100000210271_100000211926 [0,2,0,0,0,0|1,0,0]=3 17215 B12R1.8 OCCOCCc1cccnc1 34a_100011217484_100000211926 [0,2,0,0,0,0|1,0,0]=3 17216 B12R1.8 OCCOCCc1ccncc1 34a_100011216225_100000211926 [0,2,0,0,0,0|1,0,0]=3 17217 B12R1.8 OCCOCCc1cnccn1 34a_100011349526_100000211926 [0,2,0,0,0,0|2,0,0]=4 17218 B12R1.8 OCCOCCc1cncnc1 34a_100011709255_100000211926 [0,2,0,0,0,0|2,0,0]=4 17219 B12R1.8 OCCSCCc1ccccc1 62a_100000211926_100011218657 [0,2,0,0,0,0|0,1,0]=3 17220 B12R1.8 OCCSCCc1ccccc1 62a_100000765856_100000211926 [0,2,0,0,0,0|0,1,0]=3 17221 B12R1.8 OCCSCCc1ccccn1 62a_100000211926_100015183660 [0,2,0,0,0,0|1,1,0]=4 17222 B12R1.8 OCCSCCc1ccccn1 62a_100015183660_100000211926 [0,2,0,0,0,0|1,1,0]=4 17223 B12R1.8 OCCSCCc1cccnc1 62a_100000211926_200011713674 [0,2,0,0,0,0|1,1,0]=4 17224 B12R1.8 OCCSCCc1cccnc1 62a_200011713674_100000211926 [0,2,0,0,0,0|1,1,0]=4 17225 B12R1.8 OCCSCCc1ccncc1 62a_100000211926_100000723409 [0,2,0,0,0,0|1,1,0]=4 17226 B12R1.8 OCCSCCc1ccncc1 62a_100000723409_100000211926 [0,2,0,0,0,0|1,1,0]=4 17227 B12R1.8 OCCSCSc1ccccc1 62a_100000211926_100011218342 [0,2,0,0,0,0|0,1,0]=3 17228 B12R1.8 OCCSCSc1ccccc1 62a_100011218342_100000211926 [0,2,0,0,0,0|0,1,0]=3 17229 B12R1.8 [13CH3]NCCCCc1ccccc1 2230a_100015280158_200025704644 [0,2,0,0,0,0|2,0,0]=4 17230 B12R1.8 [13CH3]NCCCCc1ccccc1 34a_100015280158_200025704644 [0,2,0,0,0,0|2,0,0]=4 17231 B12R1.8 [13CH3]NCCCOc1ccccc1 2230a_100000216521_200025704644 [0,2,0,0,0,0|1,0,0]=3 17232 B12R1.8 [13CH3]NCCCOc1ccccc1 34a_100000216521_200025704644 [0,2,0,0,0,0|1,0,0]=3 17233 B12R1.8 [13CH3]NCCCSc1ccccc1 2230a_100000184639_200025704644 [0,2,0,0,0,0|1,1,0]=4 17234 B12R1.8 [13CH3]NCCOCc1ccccc1 2230a_100000753106_200025704644 [0,2,0,0,0,0|1,0,0]=3 17235 B12R1.8 [13CH3]NCCOCc1ccccc1 34a_100000753106_200025704644 [0,2,0,0,0,0|1,0,0]=3 17236 B12R1.8 [13CH3]NCCSCc1ccccc1 2230a_100000189534_200025704644 [0,2,0,0,0,0|1,1,0]=4 17237 B12R1.8 [13CH3]NCCSCc1ccccc1 34a_100000189534_200025704644 [0,2,0,0,0,0|1,1,0]=4 17238 B12R1.8 [13CH3]NCCSCc1ccccc1 7a_100000189534_200025704644 [0,2,0,0,0,0|1,1,0]=4 17239 B12R1.8 [13CH3]OCCC#Cc1ccccc1 34a_100000760064_200025704644 [0,2,0,0,0,0|1,0,0]=3 17240 B12R1.8 [13CH3]OCCC#Cc1ccccc1 7a_100000760064_200025704644 [0,2,0,0,0,0|1,0,0]=3 17241 B12R1.8 [13CH3]OCCC#Cc1ccccn1 34a_200011894334_200025704644 [0,2,0,0,0,0|2,0,0]=4 17242 B12R1.8 [13CH3]OCCC#Cc1cccnc1 34a_200011376248_200025704644 [0,2,0,0,0,0|2,0,0]=4 17243 B12R1.8 [13CH3]OCCC#Cc1ccncc1 34a_100011894394_200025704644 [0,2,0,0,0,0|2,0,0]=4 17244 B12R1.8 [13CH3]OCCCCc1ccccc1 34a_100000703073_200025704644 [0,2,0,0,0,0|1,0,0]=3 17245 B12R1.8 [13CH3]OCCCCc1ccccc1 7a_100000703073_200025704644 [0,2,0,0,0,0|1,0,0]=3 17246 B12R1.8 [13CH3]OCCCCc1ccccn1 34a_100012186994_200025704644 [0,2,0,0,0,0|2,0,0]=4 17247 B12R1.8 [13CH3]OCCCCc1cccnc1 34a_100012039607_200025704644 [0,2,0,0,0,0|2,0,0]=4 17248 B12R1.8 [13CH3]OCCCCc1cccnc1 7a_100012039607_200025704644 [0,2,0,0,0,0|2,0,0]=4 17249 B12R1.8 [13CH3]OCCCCc1ccncc1 34a_100011787716_200025704644 [0,2,0,0,0,0|2,0,0]=4 17250 B12R1.8 [13CH3]OCCCNc1ccccc1 34a_100000212590_200025704644 [0,2,0,0,0,0|1,0,0]=3 17251 B12R1.8 [13CH3]OCCCOc1ccccc1 34a_100011215863_200025704644 [0,2,0,0,0,0|0,0,0]=2 17252 B12R1.8 [13CH3]OCCCOc1ccccc1 7a_100011215863_200025704644 [0,2,0,0,0,0|0,0,0]=2 17253 B12R1.8 [13CH3]OCCNCc1ccccc1 34a_100000180844_200025704644 [0,2,0,0,0,0|1,0,0]=3 17254 B12R1.8 [13CH3]OCCOCc1ccccc1 34a_100000759325_200025704644 [0,2,0,0,0,0|0,0,0]=2 17255 B12R1.8 [13CH3]OCCOCc1ccccc1 7a_100000759325_200025704644 [0,2,0,0,0,0|0,0,0]=2 17256 B12R1.8 [13CH3]OCCSCc1ccccc1 34a_100011205989_200025704644 [0,2,0,0,0,0|0,1,0]=3 17257 B12R1.8 [13CH3]OCCSCc1ccccc1 7a_100011205989_200025704644 [0,2,0,0,0,0|0,1,0]=3 17258 B12R1.8 [13CH3]OCCSSc1ccccn1 7a_100009993218_200025704644 [0,2,0,0,0,0|1,1,0]=4 17259 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_100000701786_200025704644 [0,2,0,0,0,0|1,1,0]=4 17260 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_200025704644_100000701786 [0,2,0,0,0,0|1,1,0]=4 17261 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_100000199009_200025704644 [0,2,0,0,0,0|0,1,0]=3 17262 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_200025704644_100000199009 [0,2,0,0,0,0|0,1,0]=3 17263 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200011203293_200025704644 [0,2,0,0,0,0|0,2,0]=4 17264 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200025704644_200011203293 [0,2,0,0,0,0|0,2,0]=4 17265 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_100000234347_200025704644 [0,2,0,0,0,0|0,1,0]=3 17266 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_200025704644_100000234347 [0,2,0,0,0,0|0,1,0]=3 17267 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200011297719_200025704644 [0,2,0,0,0,0|0,2,0]=4 17268 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200025704644_200011297719 [0,2,0,0,0,0|0,2,0]=4 17269 B12R1.27 C#CC(C)OCc1ccccc1 34a_100000210790_200000035995 [0,2,0,0,0,0|1,0,1]=4 17270 B12R1.27 C#C[C@@H](C)OCc1ccccc1 34a_100009815206_100015291786 [0,2,0,0,0,0|1,0,1]=4 17271 B12R1.27 C#C[C@@H](C)OCc1ccccc1 7a_100009815206_100000211182 [0,2,0,0,0,0|1,0,1]=4 17272 B12R1.27 C=C(C#N)COc1ccccc1 34a_100000210340_100000694840 [0,2,0,0,0,0|1,0,1]=4 17273 B12R1.27 C=CC(C)OCc1ccccc1 34a_100000695699_100015291786 [0,2,0,0,0,0|1,0,1]=4 17274 B12R1.27 C=CC(O)CNc1ccccc1 34a_100000106764_100000730141 [0,2,0,0,0,0|1,0,0]=3 17275 B12R1.27 C=CC(O)COc1ccccc1 34a_100000210340_100000730141 [0,2,0,0,0,0|0,0,0]=2 17276 B12R1.27 C=CC(O)COc1ccccc1 7a_100000210340_100000730141 [0,2,0,0,0,0|0,0,0]=2 17277 B12R1.27 C=CC(O)COc1cccnc1 34a_100000210849_100000730141 [0,2,0,0,0,0|1,0,0]=3 17278 B12R1.27 C=CC(O)COc1cccnc1 7a_100000210849_100000730141 [0,2,0,0,0,0|1,0,0]=3 17279 B12R1.27 C=CC(O)COc1ccncc1 34a_100000212176_100000730141 [0,2,0,0,0,0|1,0,0]=3 17280 B12R1.27 C=CC(O)COc1ccnnc1 34a_100015204005_100000730141 [0,2,0,0,0,0|2,0,0]=4 17281 B12R1.27 C=CC(O)COc1cncnc1 7a_100000754086_100000730141 [0,2,0,0,0,0|2,0,0]=4 17282 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000719477_100000730141 [0,2,0,0,0,0|0,1,0]=3 17283 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000730141_100000041952 [0,2,0,0,0,0|0,1,0]=3 17284 B12R1.27 C=CC(O)CSc1ccccn1 62a_100000730141_100011216584 [0,2,0,0,0,0|1,1,0]=4 17285 B12R1.27 C=CC(O)CSc1ccccn1 62a_100011216584_100000730141 [0,2,0,0,0,0|1,1,0]=4 17286 B12R1.27 C=CC(O)CSc1cccnc1 62a_100000210063_100000730141 [0,2,0,0,0,0|1,1,0]=4 17287 B12R1.27 C=CC(O)CSc1cccnc1 62a_100000730141_100000210063 [0,2,0,0,0,0|1,1,0]=4 17288 B12R1.27 C=CC(O)CSc1ccncc1 62a_100000728582_100000730141 [0,2,0,0,0,0|1,1,0]=4 17289 B12R1.27 C=CC(O)CSc1ccncc1 62a_100000730141_100000728582 [0,2,0,0,0,0|1,1,0]=4 17290 B12R1.27 CC(=NNc1ccccc1)CO 4a_100015195140_100000211253 [0,2,0,0,0,0|1,0,1]=4 17291 B12R1.27 CC(C#Cc1ccccc1)O[13CH3] 34a_200000065209_200025704644 [0,2,0,0,0,0|1,0,1]=4 17292 B12R1.27 CC(C#Cc1ccccc1)O[13CH3] 7a_200000065209_200025704644 [0,2,0,0,0,0|1,0,1]=4 17293 B12R1.27 CC(C#N)OCc1ccccc1 34a_100011218135_100015291786 [0,2,0,0,0,0|1,0,1]=4 17294 B12R1.27 CC(C#N)OCc1ccccc1 7a_100000210790_100000703298 [0,2,0,0,0,0|1,0,1]=4 17295 B12R1.27 CC(CCc1ccccc1)N[13CH3] 2230a_100000210798_200025704644 [0,2,0,0,0,0|2,0,0]=4 17296 B12R1.27 CC(CCc1ccccc1)N[13CH3] 34a_100000210798_200025704644 [0,2,0,0,0,0|2,0,0]=4 17297 B12R1.27 CC(CF)OCc1ccccc1 34a_100016041109_100015291786 [0,2,0,0,0,0|1,0,0]=3 17298 B12R1.27 CC(CF)OCc1ccccc1 7a_100016041109_100000211182 [0,2,0,0,0,0|1,0,0]=3 17299 B12R1.27 CC(CF)OCc1ccccn1 34a_100016041109_100000721315 [0,2,0,0,0,0|2,0,0]=4 17300 B12R1.27 CC(CF)OCc1ccccn1 7a_100016041109_100000721315 [0,2,0,0,0,0|2,0,0]=4 17301 B12R1.27 CC(CF)OCc1cccnc1 34a_100016041109_100000733263 [0,2,0,0,0,0|2,0,0]=4 17302 B12R1.27 CC(CF)OCc1cccnc1 7a_100016041109_100000741622 [0,2,0,0,0,0|2,0,0]=4 17303 B12R1.27 CC(CF)OCc1ccncc1 7a_100016041109_100015193705 [0,2,0,0,0,0|2,0,0]=4 17304 B12R1.27 CC(CN)OCc1ccccc1 34a_100000210904_100015291786 [0,2,0,0,0,0|1,0,0]=3 17305 B12R1.27 CC(CN)OCc1ccccn1 34a_100000210904_100000721315 [0,2,0,0,0,0|2,0,0]=4 17306 B12R1.27 CC(CN)OCc1cccnc1 34a_100000210904_100000733263 [0,2,0,0,0,0|2,0,0]=4 17307 B12R1.27 CC(CO)NCc1ccccc1 2230a_100015324214_100012180447 [0,2,0,0,0,0|1,0,0]=3 17308 B12R1.27 CC(CO)NCc1ccccc1 34a_100015324214_100012180447 [0,2,0,0,0,0|1,0,0]=3 17309 B12R1.27 CC(CO)OCc1ccccc1 34a_100000210790_100012180447 [0,2,0,0,0,0|0,0,0]=2 17310 B12R1.27 CC(CO)OCc1ccccc1 7a_100000210790_100012180447 [0,2,0,0,0,0|0,0,0]=2 17311 B12R1.27 CC(CO)SCc1ccccc1 62a_100012180447_100015291786 [0,2,0,0,0,0|0,1,0]=3 17312 B12R1.27 CC(CO)SCc1ccccn1 62a_100012180447_100000721315 [0,2,0,0,0,0|1,1,0]=4 17313 B12R1.27 CC(CO)SCc1cccnc1 62a_100012180447_100000741622 [0,2,0,0,0,0|1,1,0]=4 17314 B12R1.27 CC(CO)SCc1ccncc1 62a_100012180447_100015193705 [0,2,0,0,0,0|1,1,0]=4 17315 B12R1.27 CC(COc1ccccc1)N[13CH3] 2230a_100000746794_200025704644 [0,2,0,0,0,0|1,0,0]=3 17316 B12R1.27 CC(COc1ccccc1)N[13CH3] 34a_100000746794_200025704644 [0,2,0,0,0,0|1,0,0]=3 17317 B12R1.27 CC(COc1ccccc1)O[13CH3] 34a_100000210911_200025704644 [0,2,0,0,0,0|0,0,0]=2 17318 B12R1.27 CC(COc1ccccc1)O[13CH3] 7a_100000210911_200025704644 [0,2,0,0,0,0|0,0,0]=2 17319 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,2,0,0,0,0|2,0,0]=4 17320 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,2,0,0,0,0|2,0,0]=4 17321 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,2,0,0,0,0|1,0,0]=3 17322 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,2,0,0,0,0|1,0,0]=3 17323 B12R1.27 CCC(=O)COc1ccccn1 1458a_100102699861_100000210202 [0,2,0,0,0,0|2,0,0]=4 17324 B12R1.27 CCC(=O)COc1cccnc1 1458a_100015207166_100000210202 [0,2,0,0,0,0|2,0,0]=4 17325 B12R1.27 CCC(=O)COc1cccnc1 7a_100000210849_100000747405 [0,2,0,0,0,0|2,0,0]=4 17326 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [0,2,0,0,0,0|1,1,0]=4 17327 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [0,2,0,0,0,0|1,1,0]=4 17328 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [0,2,0,0,0,0|1,1,0]=4 17329 B12R1.27 CCC(C)CNc1ccccc1 34a_100000106764_100000748023 [0,2,0,0,0,0|2,0,0]=4 17330 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [0,2,0,0,0,0|1,0,0]=3 17331 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [0,2,0,0,0,0|1,0,0]=3 17332 B12R1.27 CCC(C)COc1cccnc1 34a_100000210849_100000748023 [0,2,0,0,0,0|2,0,0]=4 17333 B12R1.27 CCC(C)COc1cccnc1 7a_100000210849_100000748023 [0,2,0,0,0,0|2,0,0]=4 17334 B12R1.27 CCC(C)COc1ccncc1 34a_100000212176_100000748023 [0,2,0,0,0,0|2,0,0]=4 17335 B12R1.27 CCC(C)CSc1ccccc1 62a_100000719477_100000748023 [0,2,0,0,0,0|1,1,0]=4 17336 B12R1.27 CCC(C)CSc1ccccc1 62a_100000748023_100000041952 [0,2,0,0,0,0|1,1,0]=4 17337 B12R1.27 CCC(C)NCc1ccccc1 207a_100000209981_100015611070 [0,2,0,0,0,0|2,0,0]=4 17338 B12R1.27 CCC(C)NCc1ccccc1 2230a_100000209981_100015291786 [0,2,0,0,0,0|2,0,0]=4 17339 B12R1.27 CCC(C)NCc1ccccc1 2230a_100015324214_100000758301 [0,2,0,0,0,0|2,0,0]=4 17340 B12R1.27 CCC(C)NCc1ccccc1 270004a_100000209981_100015611070 [0,2,0,0,0,0|2,0,0]=4 17341 B12R1.27 CCC(C)NCc1ccccc1 34a_100015324214_100011215416 [0,2,0,0,0,0|2,0,0]=4 17342 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [0,2,0,0,0,0|1,0,0]=3 17343 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [0,2,0,0,0,0|1,0,0]=3 17344 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [0,2,0,0,0,0|1,0,0]=3 17345 B12R1.27 CCC(C)OCc1ccccn1 7a_100000210228_100000721315 [0,2,0,0,0,0|2,0,0]=4 17346 B12R1.27 CCC(C)OCc1cccnc1 7a_100000210228_100000741622 [0,2,0,0,0,0|2,0,0]=4 17347 B12R1.27 CCC(C)OCc1ccncc1 7a_100000210228_100015193705 [0,2,0,0,0,0|2,0,0]=4 17348 B12R1.27 CCC(C)SCc1ccccc1 62a_100000211182_100000758301 [0,2,0,0,0,0|1,1,0]=4 17349 B12R1.27 CCC(C)SCc1ccccc1 62a_100000758301_100015291786 [0,2,0,0,0,0|1,1,0]=4 17350 B12R1.27 CCC(O)CNc1ccccc1 34a_100000106764_100011218378 [0,2,0,0,0,0|1,0,0]=3 17351 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [0,2,0,0,0,0|0,0,0]=2 17352 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [0,2,0,0,0,0|0,0,0]=2 17353 B12R1.27 CCC(O)COc1cccnc1 34a_100000210849_100011218378 [0,2,0,0,0,0|1,0,0]=3 17354 B12R1.27 CCC(O)COc1cccnc1 7a_100000210849_100011218378 [0,2,0,0,0,0|1,0,0]=3 17355 B12R1.27 CCC(O)COc1ccncc1 34a_100000212176_100011218378 [0,2,0,0,0,0|1,0,0]=3 17356 B12R1.27 CCC(O)COc1ccnnc1 34a_100015204005_100011218378 [0,2,0,0,0,0|2,0,0]=4 17357 B12R1.27 CCC(O)COc1cncnc1 7a_100000754086_100011218378 [0,2,0,0,0,0|2,0,0]=4 17358 B12R1.27 CCC(O)CSc1ccccc1 62a_100000719477_100011218378 [0,2,0,0,0,0|0,1,0]=3 17359 B12R1.27 CCC(O)CSc1ccccc1 62a_100011218378_100000041952 [0,2,0,0,0,0|0,1,0]=3 17360 B12R1.27 CCC(O)CSc1ccccn1 62a_100011216584_100011218378 [0,2,0,0,0,0|1,1,0]=4 17361 B12R1.27 CCC(O)CSc1ccccn1 62a_100011218378_100011216584 [0,2,0,0,0,0|1,1,0]=4 17362 B12R1.27 CCC(O)CSc1cccnc1 62a_100000210063_100011218378 [0,2,0,0,0,0|1,1,0]=4 17363 B12R1.27 CCC(O)CSc1cccnc1 62a_100011218378_100000210063 [0,2,0,0,0,0|1,1,0]=4 17364 B12R1.27 CCC(O)CSc1ccncc1 62a_100000728582_100011218378 [0,2,0,0,0,0|1,1,0]=4 17365 B12R1.27 CCC(O)CSc1ccncc1 62a_100011218378_100000728582 [0,2,0,0,0,0|1,1,0]=4 17366 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000207497_100000210202 [0,2,0,0,0,0|2,0,0]=4 17367 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000225621_100000765856 [0,2,0,0,0,0|2,0,0]=4 17368 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000741020_200000210301 [0,2,0,0,0,0|2,0,0]=4 17369 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000207497_100000204670 [0,2,0,0,0,0|2,0,0]=4 17370 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000225621_100000765856 [0,2,0,0,0,0|2,0,0]=4 17371 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000741020_200000210301 [0,2,0,0,0,0|2,0,0]=4 17372 B12R1.27 CCN(C)CSc1ccccc1 2230a_100000225621_100011218342 [0,2,0,0,0,0|1,1,0]=4 17373 B12R1.27 CCN(C)CSc1ccccc1 269982a_100000225621_100011218342 [0,2,0,0,0,0|1,1,0]=4 17374 B12R1.27 CCN([13CH3])CCc1ccccc1 2230a_100000741020_200025704644 [0,2,0,0,0,0|2,0,0]=4 17375 B12R1.27 CCN([13CH3])CCc1ccccc1 269982a_100000741020_200025704644 [0,2,0,0,0,0|2,0,0]=4 17376 B12R1.27 CC[C@H](C)CNc1ccccc1 34a_100000106764_100009816398 [0,2,0,0,0,0|2,0,0]=4 17377 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [0,2,0,0,0,0|1,0,0]=3 17378 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [0,2,0,0,0,0|1,0,0]=3 17379 B12R1.27 CC[C@H](C)COc1cccnc1 34a_100000210849_100009816398 [0,2,0,0,0,0|2,0,0]=4 17380 B12R1.27 CC[C@H](C)COc1cccnc1 7a_100000210849_100009816398 [0,2,0,0,0,0|2,0,0]=4 17381 B12R1.27 CC[C@H](C)COc1ccncc1 34a_100000212176_100009816398 [0,2,0,0,0,0|2,0,0]=4 17382 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100000719477_100009816398 [0,2,0,0,0,0|1,1,0]=4 17383 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100009816398_100000041952 [0,2,0,0,0,0|1,1,0]=4 17384 B12R1.27 CN(CF)CCc1ccccc1 269982a_100000207497_100015361967 [0,2,0,0,0,0|2,0,0]=4 17385 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [0,2,0,0,0,0|0,0,2]=4 17386 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [0,2,0,0,0,0|0,0,2]=4 17387 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [0,2,0,0,0,0|0,0,2]=4 17388 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [0,2,0,0,0,0|0,0,2]=4 17389 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [0,2,0,0,0,0|0,0,2]=4 17390 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [0,2,0,0,0,0|0,0,2]=4 17391 B12R1.27 CNC(C)CCc1ccccc1 2230a_100000210798_200000210301 [0,2,0,0,0,0|2,0,0]=4 17392 B12R1.27 CNC(C)CCc1ccccc1 270004a_106832991635_100000210092 [0,2,0,0,0,0|2,0,0]=4 17393 B12R1.27 CNC(C)CCc1ccccc1 34a_100000210798_200000210301 [0,2,0,0,0,0|2,0,0]=4 17394 B12R1.27 CNC(C)COc1ccccc1 2230a_100000746794_200000210301 [0,2,0,0,0,0|1,0,0]=3 17395 B12R1.27 CNC(C)COc1ccccc1 270004a_106832991635_100000150576 [0,2,0,0,0,0|1,0,0]=3 17396 B12R1.27 CNC(C)COc1ccccc1 34a_100000746794_200000210301 [0,2,0,0,0,0|1,0,0]=3 17397 B12R1.27 CNC(C)CSc1ccccc1 270004a_106832991635_100000150717 [0,2,0,0,0,0|1,1,0]=4 17398 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,2,0,0,0,0|1,0,1]=4 17399 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [0,2,0,0,0,0|0,0,1]=3 17400 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [0,2,0,0,0,0|0,0,1]=3 17401 B12R1.27 COC(=O)COc1cccnc1 34a_100000210849_100000747449 [0,2,0,0,0,0|1,0,1]=4 17402 B12R1.27 COC(=O)COc1cccnc1 7a_100000210849_100000747449 [0,2,0,0,0,0|1,0,1]=4 17403 B12R1.27 COC(=O)COc1ccncc1 34a_100000212176_100000747449 [0,2,0,0,0,0|1,0,1]=4 17404 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [0,2,0,0,0,0|0,1,1]=4 17405 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [0,2,0,0,0,0|0,1,1]=4 17406 B12R1.27 COC(C)C#Cc1ccccc1 34a_200000065209_200000210301 [0,2,0,0,0,0|1,0,1]=4 17407 B12R1.27 COC(C)C#Cc1ccccc1 7a_200000065209_200000210301 [0,2,0,0,0,0|1,0,1]=4 17408 B12R1.27 COC(C)COc1ccccc1 34a_100000210911_200000210301 [0,2,0,0,0,0|0,0,0]=2 17409 B12R1.27 COC(C)COc1ccccc1 7a_100000210911_200000210301 [0,2,0,0,0,0|0,0,0]=2 17410 B12R1.27 COC(C)SCc1ccccc1 62a_100000211182_100009879195 [0,2,0,0,0,0|2,0,0]=4 17411 B12R1.27 COC(C)SCc1ccccc1 62a_100009879195_100015291786 [0,2,0,0,0,0|2,0,0]=4 17412 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [0,2,0,0,0,0|1,0,0]=3 17413 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [0,2,0,0,0,0|1,0,0]=3 17414 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [0,2,0,0,0,0|1,0,0]=3 17415 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [0,2,0,0,0,0|1,0,0]=3 17416 B12R1.27 C[C@@H](CO)CNc1ccccc1 34a_100000106764_100000059175 [0,2,0,0,0,0|1,0,0]=3 17417 B12R1.27 C[C@@H](CO)COc1ccccc1 34a_100000210340_100000059175 [0,2,0,0,0,0|0,0,0]=2 17418 B12R1.27 C[C@@H](CO)COc1ccccc1 7a_100000210340_100000059175 [0,2,0,0,0,0|0,0,0]=2 17419 B12R1.27 C[C@@H](CO)COc1cccnc1 34a_100000210849_100000059175 [0,2,0,0,0,0|1,0,0]=3 17420 B12R1.27 C[C@@H](CO)COc1cccnc1 7a_100000210849_100000059175 [0,2,0,0,0,0|1,0,0]=3 17421 B12R1.27 C[C@@H](CO)COc1ccncc1 34a_100000212176_100000059175 [0,2,0,0,0,0|1,0,0]=3 17422 B12R1.27 C[C@@H](CO)COc1ccnnc1 34a_100015204005_100000059175 [0,2,0,0,0,0|2,0,0]=4 17423 B12R1.27 C[C@@H](CO)COc1cncnc1 7a_100000754086_100000059175 [0,2,0,0,0,0|2,0,0]=4 17424 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000059175_100000041952 [0,2,0,0,0,0|0,1,0]=3 17425 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000719477_100000059175 [0,2,0,0,0,0|0,1,0]=3 17426 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100000059175_100011216584 [0,2,0,0,0,0|1,1,0]=4 17427 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100011216584_100000059175 [0,2,0,0,0,0|1,1,0]=4 17428 B12R1.27 C[C@@H](CO)CSc1cccnc1 62a_100000059175_100000210063 [0,2,0,0,0,0|1,1,0]=4 17429 B12R1.27 C[C@@H](CO)CSc1cccnc1 62a_100000210063_100000059175 [0,2,0,0,0,0|1,1,0]=4 17430 B12R1.27 C[C@@H](CO)CSc1ccncc1 62a_100000059175_100000728582 [0,2,0,0,0,0|1,1,0]=4 17431 B12R1.27 C[C@@H](CO)CSc1ccncc1 62a_100000728582_100000059175 [0,2,0,0,0,0|1,1,0]=4 17432 B12R1.27 C[C@H](CF)NCc1ccccc1 207a_100102880703_100015611070 [0,2,0,0,0,0|2,0,0]=4 17433 B12R1.27 C[C@H](CF)NCc1ccccc1 270004a_100102880703_100015611070 [0,2,0,0,0,0|2,0,0]=4 17434 B12R1.27 C[C@H](CO)NCc1ccccc1 207a_100000737577_100015611070 [0,2,0,0,0,0|1,0,0]=3 17435 B12R1.27 C[C@H](CO)NCc1ccccc1 2230a_100000737577_100015291786 [0,2,0,0,0,0|1,0,0]=3 17436 B12R1.27 C[C@H](CO)NCc1ccccc1 270004a_100000737577_100015611070 [0,2,0,0,0,0|1,0,0]=3 17437 B12R1.27 C[C@H](CO)NCc1ccccn1 207a_100000737577_100000209966 [0,2,0,0,0,0|2,0,0]=4 17438 B12R1.27 C[C@H](CO)NCc1ccccn1 2230a_100000737577_100000721315 [0,2,0,0,0,0|2,0,0]=4 17439 B12R1.27 C[C@H](CO)NCc1ccccn1 270004a_100000737577_100000209966 [0,2,0,0,0,0|2,0,0]=4 17440 B12R1.27 C[C@H](CO)NCc1cccnc1 207a_100000737577_100000209961 [0,2,0,0,0,0|2,0,0]=4 17441 B12R1.27 C[C@H](CO)NCc1cccnc1 2230a_100000737577_100000741622 [0,2,0,0,0,0|2,0,0]=4 17442 B12R1.27 C[C@H](CO)NCc1cccnc1 270004a_100000737577_100000209961 [0,2,0,0,0,0|2,0,0]=4 17443 B12R1.27 C[C@H](CO)NCc1ccncc1 207a_100000737577_100000186114 [0,2,0,0,0,0|2,0,0]=4 17444 B12R1.27 C[C@H](CO)NCc1ccncc1 2230a_100000737577_100015193705 [0,2,0,0,0,0|2,0,0]=4 17445 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100000211182_100016084084 [0,2,0,0,0,0|0,1,0]=3 17446 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100016084084_100015291786 [0,2,0,0,0,0|0,1,0]=3 17447 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100000721315_100016084084 [0,2,0,0,0,0|1,1,0]=4 17448 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100016084084_100000721315 [0,2,0,0,0,0|1,1,0]=4 17449 B12R1.27 C[C@H](CO)SCc1cccnc1 62a_100000741622_100016084084 [0,2,0,0,0,0|1,1,0]=4 17450 B12R1.27 C[C@H](CO)SCc1cccnc1 62a_100016084084_100000741622 [0,2,0,0,0,0|1,1,0]=4 17451 B12R1.27 C[C@H](CO)SCc1ccncc1 62a_100015193705_100016084084 [0,2,0,0,0,0|1,1,0]=4 17452 B12R1.27 C[C@H](CO)SCc1ccncc1 62a_100016084084_100015193705 [0,2,0,0,0,0|1,1,0]=4 17453 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,2,0,0,0,0|2,0,0]=4 17454 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [0,2,0,0,0,0|1,0,0]=3 17455 B12R1.27 O=C(CF)COc1ccccn1 1458a_100102699861_100015361967 [0,2,0,0,0,0|2,0,0]=4 17456 B12R1.27 O=C(CF)COc1cccnc1 1458a_100015207166_100015361967 [0,2,0,0,0,0|2,0,0]=4 17457 B12R1.27 O=C(CF)CSc1ccccc1 1458a_100000211596_100015361967 [0,2,0,0,0,0|1,1,0]=4 17458 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,2,0,0,0,0|1,0,0]=3 17459 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [0,2,0,0,0,0|2,0,0]=4 17460 B12R1.27 O=C(CO)CCc1cccnc1 1458a_100000210174_200011713674 [0,2,0,0,0,0|2,0,0]=4 17461 B12R1.27 O=C(CO)CCc1ccncc1 1458a_100000210174_100000723409 [0,2,0,0,0,0|2,0,0]=4 17462 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [0,2,0,0,0,0|1,0,1]=4 17463 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [0,2,0,0,0,0|1,0,1]=4 17464 B12R1.27 O=C(CO)NNc1ccccc1 22a_100015195140_100000210174 [0,2,0,0,0,0|1,0,1]=4 17465 B12R1.27 OCC(O)CNc1ccccc1 34a_100000106764_100011219619 [0,2,0,0,0,0|1,0,0]=3 17466 B12R1.27 OCC(O)COc1ccccc1 34a_100000210340_100011219619 [0,2,0,0,0,0|0,0,0]=2 17467 B12R1.27 OCC(O)COc1ccccc1 7a_100000210340_100011219619 [0,2,0,0,0,0|0,0,0]=2 17468 B12R1.27 OCC(O)COc1cccnc1 34a_100000210849_100011219619 [0,2,0,0,0,0|1,0,0]=3 17469 B12R1.27 OCC(O)COc1cccnc1 7a_100000210849_100011219619 [0,2,0,0,0,0|1,0,0]=3 17470 B12R1.27 OCC(O)COc1ccncc1 34a_100000212176_100011219619 [0,2,0,0,0,0|1,0,0]=3 17471 B12R1.27 OCC(O)COc1ccnnc1 34a_100015204005_100011219619 [0,2,0,0,0,0|2,0,0]=4 17472 B12R1.27 OCC(O)COc1cncnc1 7a_100000754086_100011219619 [0,2,0,0,0,0|2,0,0]=4 17473 B12R1.27 OCC(O)CSc1ccccc1 62a_100000719477_100011219619 [0,2,0,0,0,0|0,1,0]=3 17474 B12R1.27 OCC(O)CSc1ccccc1 62a_100011219619_100000041952 [0,2,0,0,0,0|0,1,0]=3 17475 B12R1.27 OCC(O)CSc1ccccn1 62a_100011216584_100011219619 [0,2,0,0,0,0|1,1,0]=4 17476 B12R1.27 OCC(O)CSc1ccccn1 62a_100011219619_100011216584 [0,2,0,0,0,0|1,1,0]=4 17477 B12R1.27 OCC(O)CSc1cccnc1 62a_100000210063_100011219619 [0,2,0,0,0,0|1,1,0]=4 17478 B12R1.27 OCC(O)CSc1cccnc1 62a_100011219619_100000210063 [0,2,0,0,0,0|1,1,0]=4 17479 B12R1.27 OCC(O)CSc1ccncc1 62a_100000728582_100011219619 [0,2,0,0,0,0|1,1,0]=4 17480 B12R1.27 OCC(O)CSc1ccncc1 62a_100011219619_100000728582 [0,2,0,0,0,0|1,1,0]=4 17481 B12R1.27 OC[C@H](O)CNc1ccccc1 34a_100000106764_100009815848 [0,2,0,0,0,0|1,0,0]=3 17482 B12R1.27 OC[C@H](O)COc1ccccc1 34a_100000210340_100009815848 [0,2,0,0,0,0|0,0,0]=2 17483 B12R1.27 OC[C@H](O)COc1ccccc1 7a_100000210340_100009815848 [0,2,0,0,0,0|0,0,0]=2 17484 B12R1.27 OC[C@H](O)COc1cccnc1 34a_100000210849_100009815848 [0,2,0,0,0,0|1,0,0]=3 17485 B12R1.27 OC[C@H](O)COc1cccnc1 7a_100000210849_100009815848 [0,2,0,0,0,0|1,0,0]=3 17486 B12R1.27 OC[C@H](O)COc1ccncc1 34a_100000212176_100009815848 [0,2,0,0,0,0|1,0,0]=3 17487 B12R1.27 OC[C@H](O)COc1ccnnc1 34a_100015204005_100009815848 [0,2,0,0,0,0|2,0,0]=4 17488 B12R1.27 OC[C@H](O)COc1cncnc1 7a_100000754086_100009815848 [0,2,0,0,0,0|2,0,0]=4 17489 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100000719477_100009815848 [0,2,0,0,0,0|0,1,0]=3 17490 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100009815848_100000041952 [0,2,0,0,0,0|0,1,0]=3 17491 B12R1.27 OC[C@H](O)CSc1ccccn1 62a_100009815848_100011216584 [0,2,0,0,0,0|1,1,0]=4 17492 B12R1.27 OC[C@H](O)CSc1ccccn1 62a_100011216584_100009815848 [0,2,0,0,0,0|1,1,0]=4 17493 B12R1.27 OC[C@H](O)CSc1cccnc1 62a_100000210063_100009815848 [0,2,0,0,0,0|1,1,0]=4 17494 B12R1.27 OC[C@H](O)CSc1cccnc1 62a_100009815848_100000210063 [0,2,0,0,0,0|1,1,0]=4 17495 B12R1.27 OC[C@H](O)CSc1ccncc1 62a_100000728582_100009815848 [0,2,0,0,0,0|1,1,0]=4 17496 B12R1.27 OC[C@H](O)CSc1ccncc1 62a_100009815848_100000728582 [0,2,0,0,0,0|1,1,0]=4 17497 B12R1.27 O[C@@H](CF)CNc1ccccc1 34a_100000106764_100015614560 [0,2,0,0,0,0|1,0,0]=3 17498 B12R1.27 O[C@@H](CF)COc1ccccc1 34a_100000210340_100015614560 [0,2,0,0,0,0|0,0,0]=2 17499 B12R1.27 O[C@@H](CF)COc1ccccc1 7a_100000210340_100015614560 [0,2,0,0,0,0|0,0,0]=2 17500 B12R1.27 O[C@@H](CF)COc1cccnc1 34a_100000210849_100015614560 [0,2,0,0,0,0|1,0,0]=3 17501 B12R1.27 O[C@@H](CF)COc1cccnc1 7a_100000210849_100015614560 [0,2,0,0,0,0|1,0,0]=3 17502 B12R1.27 O[C@@H](CF)COc1ccncc1 34a_100000212176_100015614560 [0,2,0,0,0,0|1,0,0]=3 17503 B12R1.27 O[C@@H](CF)COc1ccnnc1 34a_100015204005_100015614560 [0,2,0,0,0,0|2,0,0]=4 17504 B12R1.27 O[C@@H](CF)COc1cncnc1 7a_100000754086_100015614560 [0,2,0,0,0,0|2,0,0]=4 17505 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100000719477_100015614560 [0,2,0,0,0,0|0,1,0]=3 17506 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100015614560_100000041952 [0,2,0,0,0,0|0,1,0]=3 17507 B12R1.27 O[C@@H](CF)CSc1ccccn1 62a_100011216584_100015614560 [0,2,0,0,0,0|1,1,0]=4 17508 B12R1.27 O[C@@H](CF)CSc1ccccn1 62a_100015614560_100011216584 [0,2,0,0,0,0|1,1,0]=4 17509 B12R1.27 O[C@@H](CF)CSc1cccnc1 62a_100000210063_100015614560 [0,2,0,0,0,0|1,1,0]=4 17510 B12R1.27 O[C@@H](CF)CSc1cccnc1 62a_100015614560_100000210063 [0,2,0,0,0,0|1,1,0]=4 17511 B12R1.27 O[C@@H](CF)CSc1ccncc1 62a_100000728582_100015614560 [0,2,0,0,0,0|1,1,0]=4 17512 B12R1.27 O[C@@H](CF)CSc1ccncc1 62a_100015614560_100000728582 [0,2,0,0,0,0|1,1,0]=4 17513 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 34a_200025717232_200025704644 [0,2,0,0,0,0|1,0,1]=4 17514 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 7a_200025717232_200025704644 [0,2,0,0,0,0|1,0,1]=4 17515 B12R1.32 CC(CC#N)Oc1ccccc1 7a_100000210340_100009813641 [0,2,0,0,0,0|1,0,0]=3 17516 B12R1.32 CC(CC#N)Oc1cccnc1 7a_100000210849_100009813641 [0,2,0,0,0,0|2,0,0]=4 17517 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100000719477_100009813641 [0,2,0,0,0,0|1,1,0]=4 17518 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100009813641_100000041952 [0,2,0,0,0,0|1,1,0]=4 17519 B12R1.32 CC(CCO)Nc1ccccc1 34a_100000106764_100009893172 [0,2,0,0,0,0|1,0,0]=3 17520 B12R1.32 CC(CCO)Oc1ccccc1 34a_100000210340_100009893172 [0,2,0,0,0,0|0,0,0]=2 17521 B12R1.32 CC(CCO)Oc1ccccc1 7a_100000210340_100009893172 [0,2,0,0,0,0|0,0,0]=2 17522 B12R1.32 CC(CCO)Oc1cccnc1 34a_100000210849_100009893172 [0,2,0,0,0,0|1,0,0]=3 17523 B12R1.32 CC(CCO)Oc1cccnc1 7a_100000210849_100009893172 [0,2,0,0,0,0|1,0,0]=3 17524 B12R1.32 CC(CCO)Oc1ccncc1 34a_100000212176_100009893172 [0,2,0,0,0,0|1,0,0]=3 17525 B12R1.32 CC(CCO)Oc1ccnnc1 34a_100015204005_100009893172 [0,2,0,0,0,0|2,0,0]=4 17526 B12R1.32 CC(CCO)Oc1cncnc1 7a_100000754086_100009893172 [0,2,0,0,0,0|2,0,0]=4 17527 B12R1.32 CC(CCO)Sc1ccccc1 62a_100000719477_100009893172 [0,2,0,0,0,0|0,1,0]=3 17528 B12R1.32 CC(CCO)Sc1ccccc1 62a_100009893172_100000041952 [0,2,0,0,0,0|0,1,0]=3 17529 B12R1.32 CC(CCO)Sc1ccccn1 62a_100009893172_100011216584 [0,2,0,0,0,0|1,1,0]=4 17530 B12R1.32 CC(CCO)Sc1ccccn1 62a_100011216584_100009893172 [0,2,0,0,0,0|1,1,0]=4 17531 B12R1.32 CC(CCO)Sc1cccnc1 62a_100000210063_100009893172 [0,2,0,0,0,0|1,1,0]=4 17532 B12R1.32 CC(CCO)Sc1cccnc1 62a_100009893172_100000210063 [0,2,0,0,0,0|1,1,0]=4 17533 B12R1.32 CC(CCO)Sc1ccncc1 62a_100000728582_100009893172 [0,2,0,0,0,0|1,1,0]=4 17534 B12R1.32 CC(CCO)Sc1ccncc1 62a_100009893172_100000728582 [0,2,0,0,0,0|1,1,0]=4 17535 B12R1.32 CC(CN[13CH3])Oc1ccccc1 2230a_100000755676_200025704644 [0,2,0,0,0,0|1,0,0]=3 17536 B12R1.32 CC(CN[13CH3])Oc1ccccc1 34a_100000755676_200025704644 [0,2,0,0,0,0|1,0,0]=3 17537 B12R1.32 CC(CN[13CH3])Oc1cccnc1 2230a_200011219418_200025704644 [0,2,0,0,0,0|2,0,0]=4 17538 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [0,2,0,0,0,0|1,0,0]=3 17539 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [0,2,0,0,0,0|1,0,0]=3 17540 B12R1.32 CC(CO[13CH3])Oc1ccccc1 34a_200000036796_200025704644 [0,2,0,0,0,0|0,0,0]=2 17541 B12R1.32 CC(CO[13CH3])Oc1ccccc1 7a_200000036796_200025704644 [0,2,0,0,0,0|0,0,0]=2 17542 B12R1.32 CC(Cc1ccccc1)OCF 34a_100000748627_100015361967 [0,2,0,0,0,0|2,0,0]=4 17543 B12R1.32 CC(Cc1ccccc1)OCF 7a_100000748627_100015361967 [0,2,0,0,0,0|2,0,0]=4 17544 B12R1.32 CC(Cc1ccccc1)SCF 62a_100015361967_200011218536 [0,2,0,0,0,0|2,0,0]=4 17545 B12R1.32 CC(Cc1ccccc1)SCF 62a_200011218536_100015361967 [0,2,0,0,0,0|2,0,0]=4 17546 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [0,2,0,0,0,0|2,0,0]=4 17547 B12R1.32 CCCC(=O)Nc1ccccc1 11a_100000106764_100000211992 [0,2,0,0,0,0|2,0,0]=4 17548 B12R1.32 CCCC(=O)Nc1ccccc1 1626a_100000106764_100000211992 [0,2,0,0,0,0|2,0,0]=4 17549 B12R1.32 CCCC(=O)Nc1ccccc1 22a_100000106764_100000211992 [0,2,0,0,0,0|2,0,0]=4 17550 B12R1.32 CCCC(=O)Nc1ccccc1 527a_100000106764_100000211992 [0,2,0,0,0,0|2,0,0]=4 17551 B12R1.32 CCCC(C)Nc1ccccc1 34a_100000106764_100000766640 [0,2,0,0,0,0|2,0,0]=4 17552 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [0,2,0,0,0,0|1,0,0]=3 17553 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [0,2,0,0,0,0|1,0,0]=3 17554 B12R1.32 CCCC(C)Oc1cccnc1 34a_100000210849_100000766640 [0,2,0,0,0,0|2,0,0]=4 17555 B12R1.32 CCCC(C)Oc1cccnc1 7a_100000210849_100000766640 [0,2,0,0,0,0|2,0,0]=4 17556 B12R1.32 CCCC(C)Oc1ccncc1 34a_100000212176_100000766640 [0,2,0,0,0,0|2,0,0]=4 17557 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000719477_100000766640 [0,2,0,0,0,0|1,1,0]=4 17558 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000766640_100000041952 [0,2,0,0,0,0|1,1,0]=4 17559 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000184400_200000210301 [0,2,0,0,0,0|2,0,0]=4 17560 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000186898_100000210303 [0,2,0,0,0,0|2,0,0]=4 17561 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000747261_100015291786 [0,2,0,0,0,0|2,0,0]=4 17562 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000184400_200000210301 [0,2,0,0,0,0|2,0,0]=4 17563 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000186898_100000210303 [0,2,0,0,0,0|2,0,0]=4 17564 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000747261_100000211182 [0,2,0,0,0,0|2,0,0]=4 17565 B12R1.32 CCCN(C)Cc1ccccc1 270004a_100000747261_100015611070 [0,2,0,0,0,0|2,0,0]=4 17566 B12R1.32 CCCN([13CH3])Cc1ccccc1 2230a_100000184400_200025704644 [0,2,0,0,0,0|2,0,0]=4 17567 B12R1.32 CCCN([13CH3])Cc1ccccc1 269982a_100000184400_200025704644 [0,2,0,0,0,0|2,0,0]=4 17568 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [0,2,0,0,0,0|2,0,0]=4 17569 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [0,2,0,0,0,0|2,0,0]=4 17570 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [0,2,0,0,0,0|2,0,0]=4 17571 B12R1.32 CCSC(C)Cc1ccccc1 62a_100000210202_200011218536 [0,2,0,0,0,0|2,0,0]=4 17572 B12R1.32 CCSC(C)Cc1ccccc1 62a_200011218536_100000210202 [0,2,0,0,0,0|2,0,0]=4 17573 B12R1.32 CN(CCF)Cc1ccccc1 2230a_100000186898_100011217306 [0,2,0,0,0,0|2,0,0]=4 17574 B12R1.32 CN(CCF)Cc1ccccc1 269982a_100000186898_100011217306 [0,2,0,0,0,0|2,0,0]=4 17575 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000180844_200000210301 [0,2,0,0,0,0|1,0,0]=3 17576 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000186898_100000211926 [0,2,0,0,0,0|1,0,0]=3 17577 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000210263_100015291786 [0,2,0,0,0,0|1,0,0]=3 17578 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000180844_200000210301 [0,2,0,0,0,0|1,0,0]=3 17579 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000186898_100000211926 [0,2,0,0,0,0|1,0,0]=3 17580 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000210263_100000211182 [0,2,0,0,0,0|1,0,0]=3 17581 B12R1.32 CN(CCO)Cc1ccccc1 270004a_100000210263_100015611070 [0,2,0,0,0,0|1,0,0]=3 17582 B12R1.32 CN(CCO)Cc1ccccn1 2230a_100000207498_100000211926 [0,2,0,0,0,0|2,0,0]=4 17583 B12R1.32 CN(CCO)Cc1ccccn1 2230a_100000210263_100000721315 [0,2,0,0,0,0|2,0,0]=4 17584 B12R1.32 CN(CCO)Cc1ccccn1 269982a_100000207498_100000211926 [0,2,0,0,0,0|2,0,0]=4 17585 B12R1.32 CN(CCO)Cc1ccccn1 269982a_100000210263_100000721315 [0,2,0,0,0,0|2,0,0]=4 17586 B12R1.32 CN(CCO)Cc1ccccn1 270004a_100000210263_100000209966 [0,2,0,0,0,0|2,0,0]=4 17587 B12R1.32 CN(CCO)Cc1cccnc1 2230a_100000184577_100000211926 [0,2,0,0,0,0|2,0,0]=4 17588 B12R1.32 CN(CCO)Cc1cccnc1 2230a_100000210263_100000741622 [0,2,0,0,0,0|2,0,0]=4 17589 B12R1.32 CN(CCO)Cc1cccnc1 2230a_200000200437_200000210301 [0,2,0,0,0,0|2,0,0]=4 17590 B12R1.32 CN(CCO)Cc1cccnc1 269982a_100000184577_100000211926 [0,2,0,0,0,0|2,0,0]=4 17591 B12R1.32 CN(CCO)Cc1cccnc1 269982a_100000210263_100000733263 [0,2,0,0,0,0|2,0,0]=4 17592 B12R1.32 CN(CCO)Cc1cccnc1 269982a_200000200437_200000210301 [0,2,0,0,0,0|2,0,0]=4 17593 B12R1.32 CN(CCO)Cc1cccnc1 270004a_100000210263_100000209961 [0,2,0,0,0,0|2,0,0]=4 17594 B12R1.32 CN(CCO)Cc1ccncc1 2230a_100000187231_100000211926 [0,2,0,0,0,0|2,0,0]=4 17595 B12R1.32 CN(CCO)Cc1ccncc1 2230a_100000210263_100015193705 [0,2,0,0,0,0|2,0,0]=4 17596 B12R1.32 CN(CCO)Cc1ccncc1 269982a_100000187231_100000211926 [0,2,0,0,0,0|2,0,0]=4 17597 B12R1.32 CN(CCO)Cc1ccncc1 269982a_100000210263_100015193705 [0,2,0,0,0,0|2,0,0]=4 17598 B12R1.32 CNCC(=O)Oc1ccccc1 2230a_106832991635_100009813826 [0,2,0,0,0,0|1,0,1]=4 17599 B12R1.32 CNCC(=O)Oc1ccccc1 34a_100102657272_100009813826 [0,2,0,0,0,0|1,0,1]=4 17600 B12R1.32 CNCC(=O)Oc1ccccc1 7a_106832991635_100009813826 [0,2,0,0,0,0|1,0,1]=4 17601 B12R1.32 CNCC(C)Oc1ccccc1 2230a_100000755676_200000210301 [0,2,0,0,0,0|1,0,0]=3 17602 B12R1.32 CNCC(C)Oc1ccccc1 34a_100000755676_200000210301 [0,2,0,0,0,0|1,0,0]=3 17603 B12R1.32 CNCC(C)Oc1cccnc1 2230a_200011219418_200000210301 [0,2,0,0,0,0|2,0,0]=4 17604 B12R1.32 CNCC(O)Cc1ccccc1 2230a_100000752270_200000210301 [0,2,0,0,0,0|2,0,0]=4 17605 B12R1.32 CNC[C@@H](O)Cc1ccccc1 2230a_106832991635_100000729385 [0,2,0,0,0,0|2,0,0]=4 17606 B12R1.32 CNC[C@@H](O)Cc1ccccc1 34a_100102657272_100000729385 [0,2,0,0,0,0|2,0,0]=4 17607 B12R1.32 CNC[C@@H](O)Cc1ccccc1 7a_106832991635_100000729385 [0,2,0,0,0,0|2,0,0]=4 17608 B12R1.32 COC/C(=C/c1ccccc1)/C 34a_200025717232_200000210301 [0,2,0,0,0,0|1,0,1]=4 17609 B12R1.32 COC/C(=C/c1ccccc1)/C 7a_200025717232_200000210301 [0,2,0,0,0,0|1,0,1]=4 17610 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [0,2,0,0,0,0|1,0,1]=4 17611 B12R1.32 COCC(=O)Nc1ccccc1 11a_100000106764_100000210968 [0,2,0,0,0,0|1,0,1]=4 17612 B12R1.32 COCC(=O)Nc1ccccc1 1626a_100000106764_100000210968 [0,2,0,0,0,0|1,0,1]=4 17613 B12R1.32 COCC(=O)Nc1ccccc1 22a_100000106764_100000210968 [0,2,0,0,0,0|1,0,1]=4 17614 B12R1.32 COCC(=O)Nc1ccccc1 34a_100000246334_200000210301 [0,2,0,0,0,0|1,0,1]=4 17615 B12R1.32 COCC(=O)Nc1ccccc1 34a_100138415774_100000182850 [0,2,0,0,0,0|1,0,1]=4 17616 B12R1.32 COCC(=O)Nc1ccccc1 527a_100000106764_100000210968 [0,2,0,0,0,0|1,0,1]=4 17617 B12R1.32 COCC(=O)Oc1ccccc1 34a_100138415774_100009813826 [0,2,0,0,0,0|0,0,1]=3 17618 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [0,2,0,0,0,0|1,0,0]=3 17619 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [0,2,0,0,0,0|1,0,0]=3 17620 B12R1.32 COCC(C)Nc1ccccc1 34a_100000106764_100000765312 [0,2,0,0,0,0|1,0,0]=3 17621 B12R1.32 COCC(C)Oc1ccccc1 34a_100000210340_100000765312 [0,2,0,0,0,0|0,0,0]=2 17622 B12R1.32 COCC(C)Oc1ccccc1 34a_200000036796_200000210301 [0,2,0,0,0,0|0,0,0]=2 17623 B12R1.32 COCC(C)Oc1ccccc1 7a_100000210340_100000765312 [0,2,0,0,0,0|0,0,0]=2 17624 B12R1.32 COCC(C)Oc1ccccc1 7a_200000036796_200000210301 [0,2,0,0,0,0|0,0,0]=2 17625 B12R1.32 COCC(C)Oc1cccnc1 34a_100000210849_100000765312 [0,2,0,0,0,0|1,0,0]=3 17626 B12R1.32 COCC(C)Oc1cccnc1 7a_100000210849_100000765312 [0,2,0,0,0,0|1,0,0]=3 17627 B12R1.32 COCC(C)Oc1ccncc1 34a_100000212176_100000765312 [0,2,0,0,0,0|1,0,0]=3 17628 B12R1.32 COCC(C)Oc1ccnnc1 34a_100015204005_100000765312 [0,2,0,0,0,0|2,0,0]=4 17629 B12R1.32 COCC(C)Oc1cncnc1 7a_100000754086_100000765312 [0,2,0,0,0,0|2,0,0]=4 17630 B12R1.32 COCC(C)Sc1ccccc1 62a_100000719477_100000765312 [0,2,0,0,0,0|0,1,0]=3 17631 B12R1.32 COCC(C)Sc1ccccc1 62a_100000765312_100000041952 [0,2,0,0,0,0|0,1,0]=3 17632 B12R1.32 COCC(C)Sc1ccccn1 62a_100000765312_100011216584 [0,2,0,0,0,0|1,1,0]=4 17633 B12R1.32 COCC(C)Sc1ccccn1 62a_100011216584_100000765312 [0,2,0,0,0,0|1,1,0]=4 17634 B12R1.32 COCC(C)Sc1cccnc1 62a_100000210063_100000765312 [0,2,0,0,0,0|1,1,0]=4 17635 B12R1.32 COCC(C)Sc1cccnc1 62a_100000765312_100000210063 [0,2,0,0,0,0|1,1,0]=4 17636 B12R1.32 COCC(C)Sc1ccncc1 62a_100000728582_100000765312 [0,2,0,0,0,0|1,1,0]=4 17637 B12R1.32 COCC(C)Sc1ccncc1 62a_100000765312_100000728582 [0,2,0,0,0,0|1,1,0]=4 17638 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [0,2,0,0,0,0|1,0,0]=3 17639 B12R1.32 COCN(C)Cc1ccccc1 2230a_100000186898_100000766300 [0,2,0,0,0,0|2,0,0]=4 17640 B12R1.32 COCN(C)Cc1ccccc1 269982a_100000186898_100000766300 [0,2,0,0,0,0|2,0,0]=4 17641 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [0,2,0,0,0,0|1,0,0]=3 17642 B12R1.32 CSCC(=O)Oc1ccccc1 62a_100009813826_200000210301 [0,2,0,0,0,0|0,1,1]=4 17643 B12R1.32 CSCC(=O)Oc1ccccc1 62a_200000210301_100009813826 [0,2,0,0,0,0|0,1,1]=4 17644 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_100000729385_200000210301 [0,2,0,0,0,0|1,1,0]=4 17645 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_200000210301_100000729385 [0,2,0,0,0,0|1,1,0]=4 17646 B12R1.32 O=C(CCO)C[n+]1ccccc1 1458a_200000086051_100000211926 [0,2,0,0,0,0|2,0,0]=4 17647 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [0,2,0,0,0,0|1,0,0]=3 17648 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100000233486_100000211926 [0,2,0,0,0,0|2,0,0]=4 17649 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100011216618_100000721315 [0,2,0,0,0,0|2,0,0]=4 17650 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100000737805_100000211926 [0,2,0,0,0,0|2,0,0]=4 17651 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100011216618_100000733263 [0,2,0,0,0,0|2,0,0]=4 17652 B12R1.32 O=C(CCO)Cc1ccncc1 1458a_100011216618_100000705612 [0,2,0,0,0,0|2,0,0]=4 17653 B12R1.32 O=C(CCO)Nc1ccccc1 22a_100000106764_100011216618 [0,2,0,0,0,0|1,0,0]=3 17654 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 2230a_100000180844_200025704644 [0,2,0,0,0,0|1,0,0]=3 17655 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 269982a_100000180844_200025704644 [0,2,0,0,0,0|1,0,0]=3 17656 B12R1.32 [13CH3]N(CCO)Cc1cccnc1 2230a_200000200437_200025704644 [0,2,0,0,0,0|2,0,0]=4 17657 B12R1.32 [13CH3]N(CCO)Cc1cccnc1 269982a_200000200437_200025704644 [0,2,0,0,0,0|2,0,0]=4 17658 B12R1.32 [13CH3]NCC(O)Cc1ccccc1 2230a_100000752270_200025704644 [0,2,0,0,0,0|2,0,0]=4 17659 B12R1.32 [13CH3]OCC(=O)Nc1ccccc1 34a_100000246334_200025704644 [0,2,0,0,0,0|1,0,1]=4 17660 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [0,2,0,0,0,0|1,0,0]=3 17661 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_100009813826_200025704644 [0,2,0,0,0,0|0,1,1]=4 17662 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_200025704644_100009813826 [0,2,0,0,0,0|0,1,1]=4 17663 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_100000729385_200025704644 [0,2,0,0,0,0|1,1,0]=4 17664 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_200025704644_100000729385 [0,2,0,0,0,0|1,1,0]=4 17665 B12R1.252 C=C(C)CCNc1ccccc1 34a_100000106764_100000730704 [0,2,0,0,0,0|2,0,0]=4 17666 B12R1.252 C=C(C)CCOc1ccccc1 34a_100000210340_100000730704 [0,2,0,0,0,0|1,0,0]=3 17667 B12R1.252 C=C(C)CCOc1ccccc1 7a_100000210340_100000730704 [0,2,0,0,0,0|1,0,0]=3 17668 B12R1.252 C=C(C)CCOc1cccnc1 34a_100000210849_100000730704 [0,2,0,0,0,0|2,0,0]=4 17669 B12R1.252 C=C(C)CCOc1cccnc1 7a_100000210849_100000730704 [0,2,0,0,0,0|2,0,0]=4 17670 B12R1.252 C=C(C)CCOc1ccncc1 34a_100000212176_100000730704 [0,2,0,0,0,0|2,0,0]=4 17671 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000719477_100000730704 [0,2,0,0,0,0|1,1,0]=4 17672 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000730704_100000041952 [0,2,0,0,0,0|1,1,0]=4 17673 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210245_100015291786 [0,2,0,0,0,0|1,0,1]=4 17674 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210790_100000748629 [0,2,0,0,0,0|1,0,1]=4 17675 B12R1.252 C=C(C)COCc1ccccc1 7a_100000210790_100000748629 [0,2,0,0,0,0|1,0,1]=4 17676 B12R1.252 C=C(F)COCc1ccccc1 34a_100000210790_100009893438 [0,2,0,0,0,0|1,0,1]=4 17677 B12R1.252 C=C(F)COCc1ccccc1 34a_200010262243_100015291786 [0,2,0,0,0,0|1,0,1]=4 17678 B12R1.252 C=C(F)COCc1ccccc1 7a_100000210790_100000042424 [0,2,0,0,0,0|1,0,1]=4 17679 B12R1.252 CC(=CCOc1ccccc1)C 34a_100000210340_100000761012 [0,2,0,0,0,0|1,0,1]=4 17680 B12R1.252 CC(=CCOc1ccccc1)C 7a_100000210340_100000761012 [0,2,0,0,0,0|1,0,1]=4 17681 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,2,0,0,0,0|1,0,1]=4 17682 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,2,0,0,0,0|1,0,1]=4 17683 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [0,2,0,0,0,0|0,0,1]=3 17684 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [0,2,0,0,0,0|0,0,1]=3 17685 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [0,2,0,0,0,0|0,0,1]=3 17686 B12R1.252 CC(=O)CCOc1cccnc1 7a_100000210849_100000053229 [0,2,0,0,0,0|1,0,1]=4 17687 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [0,2,0,0,0,0|0,1,1]=4 17688 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [0,2,0,0,0,0|0,1,1]=4 17689 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [0,2,0,0,0,0|0,1,1]=4 17690 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [0,2,0,0,0,0|0,1,1]=4 17691 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [0,2,0,0,0,0|0,0,2]=4 17692 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [0,2,0,0,0,0|0,0,2]=4 17693 B12R1.252 CC(=O)OCOc1ccccc1 34a_100000210340_100009813279 [0,2,0,0,0,0|0,0,2]=4 17694 B12R1.252 CC(Br)COCc1ccccc1 34a_100012180447_100015291786 [0,2,0,0,0,0|1,0,0]=3 17695 B12R1.252 CC(Br)COCc1ccccn1 34a_100012180447_100000721315 [0,2,0,0,0,0|2,0,0]=4 17696 B12R1.252 CC(Br)COCc1cccnc1 34a_100012180447_100000733263 [0,2,0,0,0,0|2,0,0]=4 17697 B12R1.252 CC(C)CC=Cc1ccccc1 271570a_100016259101_100000210277 [0,2,0,0,0,0|2,0,0]=4 17698 B12R1.252 CC(C)CCNc1ccccc1 34a_100000106764_100000210312 [0,2,0,0,0,0|2,0,0]=4 17699 B12R1.252 CC(C)CCOc1ccccc1 34a_100000210340_100000210312 [0,2,0,0,0,0|1,0,0]=3 17700 B12R1.252 CC(C)CCOc1ccccc1 7a_100000210340_100000210626 [0,2,0,0,0,0|1,0,0]=3 17701 B12R1.252 CC(C)CCOc1cccnc1 34a_100000210849_100000210312 [0,2,0,0,0,0|2,0,0]=4 17702 B12R1.252 CC(C)CCOc1cccnc1 7a_100000210849_100000210626 [0,2,0,0,0,0|2,0,0]=4 17703 B12R1.252 CC(C)CCOc1ccncc1 34a_100000212176_100000210312 [0,2,0,0,0,0|2,0,0]=4 17704 B12R1.252 CC(C)CCSc1ccccc1 62a_100000210312_100000041952 [0,2,0,0,0,0|1,1,0]=4 17705 B12R1.252 CC(C)CCSc1ccccc1 62a_100000719477_100000210312 [0,2,0,0,0,0|1,1,0]=4 17706 B12R1.252 CC(C)CNCc1ccccc1 207a_100000210953_100015611070 [0,2,0,0,0,0|2,0,0]=4 17707 B12R1.252 CC(C)CNCc1ccccc1 2230a_100000210953_100015291786 [0,2,0,0,0,0|2,0,0]=4 17708 B12R1.252 CC(C)CNCc1ccccc1 2230a_100015324214_100000210760 [0,2,0,0,0,0|2,0,0]=4 17709 B12R1.252 CC(C)CNCc1ccccc1 270004a_100000210953_100015611070 [0,2,0,0,0,0|2,0,0]=4 17710 B12R1.252 CC(C)CNCc1ccccc1 270004a_100015324214_100000210432 [0,2,0,0,0,0|2,0,0]=4 17711 B12R1.252 CC(C)CNCc1ccccc1 34a_100000210953_100015291786 [0,2,0,0,0,0|2,0,0]=4 17712 B12R1.252 CC(C)CNCc1ccccc1 34a_100015324214_100000210624 [0,2,0,0,0,0|2,0,0]=4 17713 B12R1.252 CC(C)COCc1ccccc1 34a_100000210257_100015291786 [0,2,0,0,0,0|1,0,0]=3 17714 B12R1.252 CC(C)COCc1ccccc1 34a_100000210790_100000210624 [0,2,0,0,0,0|1,0,0]=3 17715 B12R1.252 CC(C)COCc1ccccc1 7a_100000210790_100000210760 [0,2,0,0,0,0|1,0,0]=3 17716 B12R1.252 CC(C)COCc1ccccn1 34a_100000210257_100000721315 [0,2,0,0,0,0|2,0,0]=4 17717 B12R1.252 CC(C)COCc1cccnc1 34a_100000210257_100000733263 [0,2,0,0,0,0|2,0,0]=4 17718 B12R1.252 CC(C)CSCc1ccccc1 62a_100000210624_100015291786 [0,2,0,0,0,0|1,1,0]=4 17719 B12R1.252 CC(C)CSCc1ccccc1 62a_100000211182_100000210760 [0,2,0,0,0,0|1,1,0]=4 17720 B12R1.252 CC(C)NCCc1ccccc1 2230a_100000106460_100000210206 [0,2,0,0,0,0|2,0,0]=4 17721 B12R1.252 CC(C)NCCc1ccccc1 2230a_100138425928_100000765856 [0,2,0,0,0,0|2,0,0]=4 17722 B12R1.252 CC(C)NCCc1ccccc1 34a_100000106460_100000210206 [0,2,0,0,0,0|2,0,0]=4 17723 B12R1.252 CC(C)NCCc1ccccc1 34a_100138425928_100000765856 [0,2,0,0,0,0|2,0,0]=4 17724 B12R1.252 CC(C)NCSc1ccccc1 2230a_100138425928_100011218342 [0,2,0,0,0,0|1,1,0]=4 17725 B12R1.252 CC(C)OCCc1ccccc1 34a_100000210268_100000210206 [0,2,0,0,0,0|2,0,0]=4 17726 B12R1.252 CC(C)OCCc1ccccc1 34a_100000212225_100000765856 [0,2,0,0,0,0|2,0,0]=4 17727 B12R1.252 CC(C)OCCc1ccccc1 7a_100000210268_100000210206 [0,2,0,0,0,0|2,0,0]=4 17728 B12R1.252 CC(C)OCNc1ccccc1 34a_100000106764_100000709892 [0,2,0,0,0,0|2,0,0]=4 17729 B12R1.252 CC(C)OCOc1ccccc1 34a_100000210340_100000709892 [0,2,0,0,0,0|1,0,0]=3 17730 B12R1.252 CC(C)OCOc1cccnc1 34a_100000210849_100000709892 [0,2,0,0,0,0|2,0,0]=4 17731 B12R1.252 CC(C)OCOc1ccncc1 34a_100000212176_100000709892 [0,2,0,0,0,0|2,0,0]=4 17732 B12R1.252 CC(C)OCSc1ccccc1 62a_100000709892_100000041952 [0,2,0,0,0,0|1,1,0]=4 17733 B12R1.252 CC(C)OCSc1ccccc1 62a_100000719477_100000709892 [0,2,0,0,0,0|1,1,0]=4 17734 B12R1.252 CC(C)SCCc1ccccc1 62a_100000210206_100011218657 [0,2,0,0,0,0|2,0,0]=4 17735 B12R1.252 CC(C)SCCc1ccccc1 62a_100000765856_100000210206 [0,2,0,0,0,0|2,0,0]=4 17736 B12R1.252 CC(C)SCSc1ccccc1 62a_100000210206_100011218342 [0,2,0,0,0,0|1,1,0]=4 17737 B12R1.252 CC(C)SCSc1ccccc1 62a_100011218342_100000210206 [0,2,0,0,0,0|1,1,0]=4 17738 B12R1.252 CC(F)COCc1ccccc1 34a_100015925927_100015291786 [0,2,0,0,0,0|1,0,0]=3 17739 B12R1.252 CC(F)COCc1ccccn1 34a_100015925927_100000721315 [0,2,0,0,0,0|2,0,0]=4 17740 B12R1.252 CC(F)COCc1cccnc1 34a_100015925927_100000733263 [0,2,0,0,0,0|2,0,0]=4 17741 B12R1.252 CC(O)CCNc1ccccc1 34a_100000106764_100012276601 [0,2,0,0,0,0|1,0,0]=3 17742 B12R1.252 CC(O)CCOc1ccccc1 34a_100000210340_100012276601 [0,2,0,0,0,0|0,0,0]=2 17743 B12R1.252 CC(O)CCOc1ccccc1 7a_100000210340_100012276601 [0,2,0,0,0,0|0,0,0]=2 17744 B12R1.252 CC(O)CCOc1cccnc1 34a_100000210849_100012276601 [0,2,0,0,0,0|1,0,0]=3 17745 B12R1.252 CC(O)CCOc1cccnc1 7a_100000210849_100012276601 [0,2,0,0,0,0|1,0,0]=3 17746 B12R1.252 CC(O)CCOc1ccncc1 34a_100000212176_100012276601 [0,2,0,0,0,0|1,0,0]=3 17747 B12R1.252 CC(O)CCOc1ccnnc1 34a_100015204005_100012276601 [0,2,0,0,0,0|2,0,0]=4 17748 B12R1.252 CC(O)CCOc1cncnc1 7a_100000754086_100012276601 [0,2,0,0,0,0|2,0,0]=4 17749 B12R1.252 CC(O)CCSc1ccccc1 62a_100000719477_100012276601 [0,2,0,0,0,0|0,1,0]=3 17750 B12R1.252 CC(O)CCSc1ccccc1 62a_100012276601_100000041952 [0,2,0,0,0,0|0,1,0]=3 17751 B12R1.252 CC(O)CCSc1ccccn1 62a_100011216584_100012276601 [0,2,0,0,0,0|1,1,0]=4 17752 B12R1.252 CC(O)CCSc1ccccn1 62a_100012276601_100011216584 [0,2,0,0,0,0|1,1,0]=4 17753 B12R1.252 CC(O)CCSc1cccnc1 62a_100000210063_100012276601 [0,2,0,0,0,0|1,1,0]=4 17754 B12R1.252 CC(O)CCSc1cccnc1 62a_100012276601_100000210063 [0,2,0,0,0,0|1,1,0]=4 17755 B12R1.252 CC(O)CCSc1ccncc1 62a_100000728582_100012276601 [0,2,0,0,0,0|1,1,0]=4 17756 B12R1.252 CC(O)CCSc1ccncc1 62a_100012276601_100000728582 [0,2,0,0,0,0|1,1,0]=4 17757 B12R1.252 CC(O)CNCc1ccccc1 207a_100000210904_100015611070 [0,2,0,0,0,0|1,0,0]=3 17758 B12R1.252 CC(O)CNCc1ccccc1 2230a_100000210904_100015291786 [0,2,0,0,0,0|1,0,0]=3 17759 B12R1.252 CC(O)CNCc1ccccc1 2230a_100015324214_100011218427 [0,2,0,0,0,0|1,0,0]=3 17760 B12R1.252 CC(O)CNCc1ccccc1 270004a_100000210904_100015611070 [0,2,0,0,0,0|1,0,0]=3 17761 B12R1.252 CC(O)CNCc1ccccc1 34a_100000210904_100015291786 [0,2,0,0,0,0|1,0,0]=3 17762 B12R1.252 CC(O)CNCc1ccccc1 34a_100015324214_100011218427 [0,2,0,0,0,0|1,0,0]=3 17763 B12R1.252 CC(O)CNCc1ccccn1 207a_100000210904_100000209966 [0,2,0,0,0,0|2,0,0]=4 17764 B12R1.252 CC(O)CNCc1ccccn1 2230a_100000210904_100000721315 [0,2,0,0,0,0|2,0,0]=4 17765 B12R1.252 CC(O)CNCc1ccccn1 270004a_100000210904_100000209966 [0,2,0,0,0,0|2,0,0]=4 17766 B12R1.252 CC(O)CNCc1ccccn1 34a_100000210904_100000721315 [0,2,0,0,0,0|2,0,0]=4 17767 B12R1.252 CC(O)CNCc1cccnc1 207a_100000210904_100000209961 [0,2,0,0,0,0|2,0,0]=4 17768 B12R1.252 CC(O)CNCc1cccnc1 2230a_100000210904_100000741622 [0,2,0,0,0,0|2,0,0]=4 17769 B12R1.252 CC(O)CNCc1cccnc1 270004a_100000210904_100000209961 [0,2,0,0,0,0|2,0,0]=4 17770 B12R1.252 CC(O)CNCc1cccnc1 34a_100000210904_100000733263 [0,2,0,0,0,0|2,0,0]=4 17771 B12R1.252 CC(O)CNCc1ccncc1 207a_100000210904_100000186114 [0,2,0,0,0,0|2,0,0]=4 17772 B12R1.252 CC(O)CNCc1ccncc1 2230a_100000210904_100015193705 [0,2,0,0,0,0|2,0,0]=4 17773 B12R1.252 CC(O)COCc1ccccc1 34a_100000210790_100011218427 [0,2,0,0,0,0|0,0,0]=2 17774 B12R1.252 CC(O)COCc1ccccc1 7a_100000210790_100011218427 [0,2,0,0,0,0|0,0,0]=2 17775 B12R1.252 CC(O)CSCc1ccccc1 62a_100000211182_100011218427 [0,2,0,0,0,0|0,1,0]=3 17776 B12R1.252 CC(O)CSCc1ccccc1 62a_100011218427_100015291786 [0,2,0,0,0,0|0,1,0]=3 17777 B12R1.252 CC(O)CSCc1ccccn1 62a_100000721315_100011218427 [0,2,0,0,0,0|1,1,0]=4 17778 B12R1.252 CC(O)CSCc1ccccn1 62a_100011218427_100000721315 [0,2,0,0,0,0|1,1,0]=4 17779 B12R1.252 CC(O)CSCc1cccnc1 62a_100000741622_100011218427 [0,2,0,0,0,0|1,1,0]=4 17780 B12R1.252 CC(O)CSCc1cccnc1 62a_100011218427_100000741622 [0,2,0,0,0,0|1,1,0]=4 17781 B12R1.252 CC(O)CSCc1ccncc1 62a_100011218427_100015193705 [0,2,0,0,0,0|1,1,0]=4 17782 B12R1.252 CC(O)CSCc1ccncc1 62a_100015193705_100011218427 [0,2,0,0,0,0|1,1,0]=4 17783 B12R1.252 CN(C)CCCc1ccccc1 2230a_100000693637_200000210301 [0,2,0,0,0,0|2,0,0]=4 17784 B12R1.252 CN(C)CCCc1ccccc1 2230a_100102631434_100000211621 [0,2,0,0,0,0|2,0,0]=4 17785 B12R1.252 CN(C)CCCc1ccccc1 269982a_100000693637_200000210301 [0,2,0,0,0,0|2,0,0]=4 17786 B12R1.252 CN(C)CCCc1ccccc1 269982a_100102631434_100000211621 [0,2,0,0,0,0|2,0,0]=4 17787 B12R1.252 CN(C)CCOc1ccccc1 2230a_100000184383_200000210301 [0,2,0,0,0,0|1,0,0]=3 17788 B12R1.252 CN(C)CCOc1ccccc1 2230a_100102631434_100000184471 [0,2,0,0,0,0|1,0,0]=3 17789 B12R1.252 CN(C)CCOc1ccccc1 269982a_100000184383_200000210301 [0,2,0,0,0,0|1,0,0]=3 17790 B12R1.252 CN(C)CCOc1ccccc1 269982a_100102631434_100000184471 [0,2,0,0,0,0|1,0,0]=3 17791 B12R1.252 CN(C)CCOc1ccccc1 270004a_100102631434_100000758736 [0,2,0,0,0,0|1,0,0]=3 17792 B12R1.252 CN(C)CCOc1ccccc1 7a_100000210340_100000755713 [0,2,0,0,0,0|1,0,0]=3 17793 B12R1.252 CN(C)CCOc1cccnc1 7a_100000210849_100000755713 [0,2,0,0,0,0|2,0,0]=4 17794 B12R1.252 CN(C)CCSc1ccccc1 2230a_100102631434_100000246102 [0,2,0,0,0,0|1,1,0]=4 17795 B12R1.252 CN(C)CCSc1ccccc1 269982a_100102631434_100000246102 [0,2,0,0,0,0|1,1,0]=4 17796 B12R1.252 CN(C)CCSc1ccccc1 62a_100000719477_100000755713 [0,2,0,0,0,0|1,1,0]=4 17797 B12R1.252 CN(C)COCc1ccccc1 2230a_100102631434_100000763385 [0,2,0,0,0,0|2,0,0]=4 17798 B12R1.252 CN([13CH3])CCCc1ccccc1 2230a_100000693637_200025704644 [0,2,0,0,0,0|2,0,0]=4 17799 B12R1.252 CN([13CH3])CCCc1ccccc1 269982a_100000693637_200025704644 [0,2,0,0,0,0|2,0,0]=4 17800 B12R1.252 CN([13CH3])CCOc1ccccc1 2230a_100000184383_200025704644 [0,2,0,0,0,0|1,0,0]=3 17801 B12R1.252 CN([13CH3])CCOc1ccccc1 269982a_100000184383_200025704644 [0,2,0,0,0,0|1,0,0]=3 17802 B12R1.252 C[C@@H](Cl)COCc1ccccc1 34a_100016084084_100015291786 [0,2,0,0,0,0|1,0,0]=3 17803 B12R1.252 C[C@@H](Cl)COCc1ccccn1 34a_100016084084_100000721315 [0,2,0,0,0,0|2,0,0]=4 17804 B12R1.252 C[C@@H](Cl)COCc1cccnc1 34a_100016084084_100000733263 [0,2,0,0,0,0|2,0,0]=4 17805 B12R1.252 C[C@@H](N)COCc1ccccc1 34a_100000737577_100015291786 [0,2,0,0,0,0|1,0,0]=3 17806 B12R1.252 C[C@@H](N)COCc1ccccn1 34a_100000737577_100000721315 [0,2,0,0,0,0|2,0,0]=4 17807 B12R1.252 C[C@@H](N)COCc1cccnc1 34a_100000737577_100000733263 [0,2,0,0,0,0|2,0,0]=4 17808 B12R1.252 C[C@@H](O)CNCc1ccccc1 2230a_100015324214_100009817552 [0,2,0,0,0,0|1,0,0]=3 17809 B12R1.252 C[C@@H](O)CNCc1ccccc1 34a_100015324214_100009817552 [0,2,0,0,0,0|1,0,0]=3 17810 B12R1.252 C[C@@H](O)COCc1ccccc1 34a_100000210790_100009817552 [0,2,0,0,0,0|0,0,0]=2 17811 B12R1.252 C[C@@H](O)COCc1ccccc1 7a_100000210790_100009817552 [0,2,0,0,0,0|0,0,0]=2 17812 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100000211182_100009817552 [0,2,0,0,0,0|0,1,0]=3 17813 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100009817552_100015291786 [0,2,0,0,0,0|0,1,0]=3 17814 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100000721315_100009817552 [0,2,0,0,0,0|1,1,0]=4 17815 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100009817552_100000721315 [0,2,0,0,0,0|1,1,0]=4 17816 B12R1.252 C[C@@H](O)CSCc1cccnc1 62a_100000741622_100009817552 [0,2,0,0,0,0|1,1,0]=4 17817 B12R1.252 C[C@@H](O)CSCc1cccnc1 62a_100009817552_100000741622 [0,2,0,0,0,0|1,1,0]=4 17818 B12R1.252 C[C@@H](O)CSCc1ccncc1 62a_100009817552_100015193705 [0,2,0,0,0,0|1,1,0]=4 17819 B12R1.252 C[C@@H](O)CSCc1ccncc1 62a_100015193705_100009817552 [0,2,0,0,0,0|1,1,0]=4 17820 B12R1.252 FC(F)CNCc1ccccc1 207a_100000765723_100015611070 [0,2,0,0,0,0|2,0,0]=4 17821 B12R1.252 FC(F)CNCc1ccccc1 2230a_100015324214_100011934356 [0,2,0,0,0,0|2,0,0]=4 17822 B12R1.252 FC(F)CNCc1ccccc1 270004a_100000765723_100015611070 [0,2,0,0,0,0|2,0,0]=4 17823 B12R1.252 FC(F)CNCc1ccccc1 34a_100000765723_100015291786 [0,2,0,0,0,0|2,0,0]=4 17824 B12R1.252 FC(F)CNCc1ccccc1 34a_100015324214_100011934356 [0,2,0,0,0,0|2,0,0]=4 17825 B12R1.252 FC(F)COCc1ccccc1 34a_100000210790_100011934356 [0,2,0,0,0,0|1,0,0]=3 17826 B12R1.252 FC(F)COCc1ccccc1 34a_100000743014_100015291786 [0,2,0,0,0,0|1,0,0]=3 17827 B12R1.252 FC(F)COCc1ccccc1 7a_100000210790_100011934356 [0,2,0,0,0,0|1,0,0]=3 17828 B12R1.252 FC(F)COCc1ccccn1 34a_100000743014_100000721315 [0,2,0,0,0,0|2,0,0]=4 17829 B12R1.252 FC(F)COCc1cccnc1 34a_100000743014_100000733263 [0,2,0,0,0,0|2,0,0]=4 17830 B12R1.252 FC(F)CSCc1ccccc1 62a_100000211182_100011934356 [0,2,0,0,0,0|1,1,0]=4 17831 B12R1.252 FC(F)CSCc1ccccc1 62a_100011934356_100015291786 [0,2,0,0,0,0|1,1,0]=4 17832 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [0,2,0,0,0,0|1,0,1]=4 17833 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [0,2,0,0,0,0|0,0,1]=3 17834 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [0,2,0,0,0,0|0,0,1]=3 17835 B12R1.252 NC(=O)CCOc1cccnc1 34a_100000210849_100000731001 [0,2,0,0,0,0|1,0,1]=4 17836 B12R1.252 NC(=O)CCOc1cccnc1 7a_100000210849_100000744528 [0,2,0,0,0,0|1,0,1]=4 17837 B12R1.252 NC(=O)CCOc1ccncc1 34a_100000212176_100000731001 [0,2,0,0,0,0|1,0,1]=4 17838 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [0,2,0,0,0,0|0,1,1]=4 17839 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [0,2,0,0,0,0|0,1,1]=4 17840 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [0,2,0,0,0,0|0,0,2]=4 17841 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [0,2,0,0,0,0|0,0,2]=4 17842 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [0,2,0,0,0,0|1,0,1]=4 17843 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [0,2,0,0,0,0|0,0,2]=4 17844 B12R1.252 O=[N+]([O-])COCc1ccccc1 34a_100000210790_100000761209 [0,2,0,0,0,0|1,0,1]=4 17845 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,2,0,0,0,0|1,0,1]=4 17846 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [0,2,0,0,0,0|0,0,1]=3 17847 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [0,2,0,0,0,0|0,1,1]=4 17848 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [0,2,0,0,0,0|0,0,2]=4 17849 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [0,2,0,0,0,0|0,0,2]=4 17850 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [0,2,0,0,0,0|0,0,2]=4 17851 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [0,2,0,0,0,0|0,0,2]=4 17852 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [0,2,0,0,0,0|0,0,2]=4 17853 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [0,2,0,0,0,0|0,0,2]=4 17854 B12R1.43 C[C@@H](O)C(=O)Cc1ccccc1 1458a_100000717761_100015291786 [0,2,0,0,0,0|1,0,1]=4 17855 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 22a_100000106764_100000717761 [0,2,0,0,0,0|1,0,1]=4 17856 B12R1.43 C[C@H](O)C(=O)Cc1ccccc1 1458a_217856618621_100015291786 [0,2,0,0,0,0|1,0,1]=4 17857 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 1626a_100000106764_217856618621 [0,2,0,0,0,0|1,0,1]=4 17858 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 22a_100000106764_217856618621 [0,2,0,0,0,0|1,0,1]=4 17859 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [0,2,0,0,0,0|0,0,2]=4 17860 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [0,2,0,0,0,0|0,0,2]=4 17861 B12R1.43 O=C(Cc1ccccc1)C(O)O 1458a_100000233687_100015291786 [0,2,0,0,0,0|1,0,1]=4 17862 B12R1.43 O=C(Nc1ccccc1)C(O)O 22a_100000106764_100000233687 [0,2,0,0,0,0|1,0,1]=4 17863 B12R1.43 O=C([O-])C(F)Oc1ccccc1 34a_100000210340_100020610796 [0,2,0,0,0,0|0,0,2]=4 17864 B12R1.118 CCC(CC)Oc1ccccc1 7a_100000210340_100000210505 [0,2,0,0,0,0|1,0,0]=3 17865 B12R1.118 CCC(CC)Oc1cccnc1 7a_100000210849_100000210505 [0,2,0,0,0,0|2,0,0]=4 17866 B12R1.118 CCC(CC)Sc1ccccc1 62a_100000210505_100000041952 [0,2,0,0,0,0|1,1,0]=4 17867 B12R1.118 CCC(CC)Sc1ccccc1 62a_100000719477_100000210505 [0,2,0,0,0,0|1,1,0]=4 17868 B12R1.118 CCC(Cc1ccccc1)NC 270004a_106832991635_100000212045 [0,2,0,0,0,0|2,0,0]=4 17869 B12R1.118 CCC(Cc1ccccc1)OC 7a_100000760156_200000210301 [0,2,0,0,0,0|2,0,0]=4 17870 B12R1.118 CCC(Cc1ccccc1)O[13CH3] 7a_100000760156_200025704644 [0,2,0,0,0,0|2,0,0]=4 17871 B12R1.118 CNC(CO)Cc1ccccc1 2230a_100000739027_200000210301 [0,2,0,0,0,0|1,0,0]=3 17872 B12R1.118 CNC(CO)Cc1cccnc1 2230a_100000717814_200000210301 [0,2,0,0,0,0|2,0,0]=4 17873 B12R1.118 CNC(CO)Cc1ccncc1 2230a_100000717866_200000210301 [0,2,0,0,0,0|2,0,0]=4 17874 B12R1.118 COC(CN)Cc1ccccc1 34a_100000752270_200000210301 [0,2,0,0,0,0|2,0,0]=4 17875 B12R1.118 CO[C@H](CCl)Cc1ccccc1 7a_100000729385_200000210301 [0,2,0,0,0,0|2,0,0]=4 17876 B12R1.118 O=CC(C=O)Oc1ccccc1 34a_100000210340_100000736813 [0,2,0,0,0,0|0,0,2]=4 17877 B12R1.118 [13CH3]NC(CO)Cc1ccccc1 2230a_100000739027_200025704644 [0,2,0,0,0,0|1,0,0]=3 17878 B12R1.118 [13CH3]NC(CO)Cc1cccnc1 2230a_100000717814_200025704644 [0,2,0,0,0,0|2,0,0]=4 17879 B12R1.118 [13CH3]NC(CO)Cc1ccncc1 2230a_100000717866_200025704644 [0,2,0,0,0,0|2,0,0]=4 17880 B12R1.118 [13CH3]OC(CN)Cc1ccccc1 34a_100000752270_200025704644 [0,2,0,0,0,0|2,0,0]=4 17881 B12R1.118 [13CH3]O[C@H](CCl)Cc1ccccc1 7a_100000729385_200025704644 [0,2,0,0,0,0|2,0,0]=4 17882 B12R1.194 C#CC(C)(C)Oc1ccccc1 34a_100000210340_100000038118 [0,2,0,0,0,0|1,0,1]=4 17883 B12R1.194 CC(C)(C#N)Oc1ccccc1 34a_100000210340_100011162410 [0,2,0,0,0,0|1,0,1]=4 17884 B12R1.194 CC(C)(C#N)Oc1ccccc1 7a_100000210340_100011162410 [0,2,0,0,0,0|1,0,1]=4 17885 B12R1.194 CCC(C)(C)Oc1ccccc1 7a_100000210340_100000210677 [0,2,0,0,0,0|1,0,0]=3 17886 B12R1.194 CCC(C)(C)Oc1cccnc1 7a_100000210849_100000210677 [0,2,0,0,0,0|2,0,0]=4 17887 B12R1.194 CCC(C)(C)Sc1ccccc1 62a_100000032637_100000041952 [0,2,0,0,0,0|1,1,0]=4 17888 B12R1.194 CCC(C)(C)Sc1ccccc1 62a_100000719477_100000032637 [0,2,0,0,0,0|1,1,0]=4 17889 B12R1.194 CNC(F)(F)Oc1ccccc1 7a_106832991635_200000057402 [0,2,0,0,0,0|2,0,0]=4 17890 B12R1.194 CSC(F)(F)Oc1ccccc1 62a_200000057402_200000210301 [0,2,0,0,0,0|2,0,0]=4 17891 B12R1.194 CSC(F)(F)Oc1ccccc1 62a_200000210301_200000057402 [0,2,0,0,0,0|2,0,0]=4 17892 B12R1.194 OCC(F)(F)Sc1ccccc1 62a_100000719477_100011217949 [0,2,0,0,0,0|0,1,0]=3 17893 B12R1.194 OCC(F)(F)Sc1ccccc1 62a_100011217949_100000041952 [0,2,0,0,0,0|0,1,0]=3 17894 B12R1.194 OCC(F)(F)Sc1ccccn1 62a_100011216584_100011217949 [0,2,0,0,0,0|1,1,0]=4 17895 B12R1.194 OCC(F)(F)Sc1ccccn1 62a_100011217949_100011216584 [0,2,0,0,0,0|1,1,0]=4 17896 B12R1.194 OCC(F)(F)Sc1cccnc1 62a_100000210063_100011217949 [0,2,0,0,0,0|1,1,0]=4 17897 B12R1.194 OCC(F)(F)Sc1cccnc1 62a_100011217949_100000210063 [0,2,0,0,0,0|1,1,0]=4 17898 B12R1.194 OCC(F)(F)Sc1ccncc1 62a_100000728582_100011217949 [0,2,0,0,0,0|1,1,0]=4 17899 B12R1.194 OCC(F)(F)Sc1ccncc1 62a_100011217949_100000728582 [0,2,0,0,0,0|1,1,0]=4 17900 B12R1.194 [13CH3]SC(F)(F)Oc1ccccc1 62a_200000057402_200025704644 [0,2,0,0,0,0|2,0,0]=4 17901 B12R1.194 [13CH3]SC(F)(F)Oc1ccccc1 62a_200025704644_200000057402 [0,2,0,0,0,0|2,0,0]=4 17902 B12R1.891 CC(C)(C)CNc1ccccc1 34a_100000106764_100011219605 [0,2,0,0,0,0|2,0,0]=4 17903 B12R1.891 CC(C)(C)COc1ccccc1 34a_100000210340_100011219605 [0,2,0,0,0,0|1,0,0]=3 17904 B12R1.891 CC(C)(C)COc1cccnc1 34a_100000210849_100011219605 [0,2,0,0,0,0|2,0,0]=4 17905 B12R1.891 CC(C)(C)COc1ccncc1 34a_100000212176_100011219605 [0,2,0,0,0,0|2,0,0]=4 17906 B12R1.891 CC(C)(C)CSc1ccccc1 62a_100000719477_100011219605 [0,2,0,0,0,0|1,1,0]=4 17907 B12R1.891 CC(C)(C)CSc1ccccc1 62a_100011219605_100000041952 [0,2,0,0,0,0|1,1,0]=4 17908 B12R1.891 CC(C)(F)CNc1ccccc1 34a_100000106764_100011997219 [0,2,0,0,0,0|2,0,0]=4 17909 B12R1.891 CC(C)(F)COc1ccccc1 34a_100000210340_100011997219 [0,2,0,0,0,0|1,0,0]=3 17910 B12R1.891 CC(C)(F)COc1cccnc1 34a_100000210849_100011997219 [0,2,0,0,0,0|2,0,0]=4 17911 B12R1.891 CC(C)(F)COc1ccncc1 34a_100000212176_100011997219 [0,2,0,0,0,0|2,0,0]=4 17912 B12R1.891 CC(C)(F)CSc1ccccc1 62a_100000719477_100011997219 [0,2,0,0,0,0|1,1,0]=4 17913 B12R1.891 CC(C)(F)CSc1ccccc1 62a_100011997219_100000041952 [0,2,0,0,0,0|1,1,0]=4 17914 B12R1.891 CC(C)(O)C=Cc1ccccc1 271570a_200016258132_100000210277 [0,2,0,0,0,0|1,0,1]=4 17915 B12R1.891 CC(C)(O)CNc1ccccc1 34a_100000106764_100000764493 [0,2,0,0,0,0|1,0,0]=3 17916 B12R1.891 CC(C)(O)COc1ccccc1 34a_100000210340_100000764493 [0,2,0,0,0,0|0,0,0]=2 17917 B12R1.891 CC(C)(O)COc1ccccc1 7a_100000210340_100000764493 [0,2,0,0,0,0|0,0,0]=2 17918 B12R1.891 CC(C)(O)COc1cccnc1 34a_100000210849_100000764493 [0,2,0,0,0,0|1,0,0]=3 17919 B12R1.891 CC(C)(O)COc1cccnc1 7a_100000210849_100000764493 [0,2,0,0,0,0|1,0,0]=3 17920 B12R1.891 CC(C)(O)COc1ccncc1 34a_100000212176_100000764493 [0,2,0,0,0,0|1,0,0]=3 17921 B12R1.891 CC(C)(O)COc1ccnnc1 34a_100015204005_100000764493 [0,2,0,0,0,0|2,0,0]=4 17922 B12R1.891 CC(C)(O)COc1cncnc1 7a_100000754086_100000764493 [0,2,0,0,0,0|2,0,0]=4 17923 B12R1.891 CC(C)(O)CSc1ccccc1 62a_100000719477_100000764493 [0,2,0,0,0,0|0,1,0]=3 17924 B12R1.891 CC(C)(O)CSc1ccccc1 62a_100000764493_100000041952 [0,2,0,0,0,0|0,1,0]=3 17925 B12R1.891 CC(C)(O)CSc1ccccn1 62a_100000764493_100011216584 [0,2,0,0,0,0|1,1,0]=4 17926 B12R1.891 CC(C)(O)CSc1ccccn1 62a_100011216584_100000764493 [0,2,0,0,0,0|1,1,0]=4 17927 B12R1.891 CC(C)(O)CSc1cccnc1 62a_100000210063_100000764493 [0,2,0,0,0,0|1,1,0]=4 17928 B12R1.891 CC(C)(O)CSc1cccnc1 62a_100000764493_100000210063 [0,2,0,0,0,0|1,1,0]=4 17929 B12R1.891 CC(C)(O)CSc1ccncc1 62a_100000728582_100000764493 [0,2,0,0,0,0|1,1,0]=4 17930 B12R1.891 CC(C)(O)CSc1ccncc1 62a_100000764493_100000728582 [0,2,0,0,0,0|1,1,0]=4 17931 B12R1.891 C[Si](C)(C)COc1ccccc1 7a_100000210340_100000233785 [0,2,0,0,0,0|1,1,0]=4 17932 B12R1.891 FC(F)(F)CSc1ccccc1 62a_100000719477_100000763148 [0,2,0,0,0,0|1,1,0]=4 17933 B12R1.891 FC(F)(F)CSc1ccccc1 62a_100000763148_100000041952 [0,2,0,0,0,0|1,1,0]=4 17934 B12R1.891 O=S(=O)([O-])COc1ccccc1 34a_100000210340_100009817235 [0,2,0,0,0,0|1,0,1]=4 17935 B10R1.180 C=CC=CC(=O)CC1CO1 1458a_100016291481_100011216344 [0,0,1,1,0,0|2,0,0]=4 17936 B10R1.180 C=CC=CC(=O)C[C@@H]1CO1 1458a_100016291481_100000745022 [0,0,1,1,0,0|2,0,0]=4 17937 B10R1.96 C=C=Cc1ccc(o1)CO 271570a_100015277604_100000246276 [0,0,1,1,0,0|0,0,2]=4 17938 B10R1.96 CC=Cc1ccc(o1)CO 271570a_100016259895_100000246276 [0,0,1,1,0,0|0,0,2]=4 17939 B10R1.172 C=Cc1cccc(c1)CO 271570a_100011290941_100000687537 [0,0,1,1,0,0|1,0,1]=4 17940 B10R1.172 C=Cc1cccc(n1)CO 271570a_100011290941_100000694195 [0,0,1,1,0,0|1,0,1]=4 17941 B10R2.6 c1cc(ccn1)C2CC2 271570a_100011220607_100000035832 [1,0,0,1,0,0|2,0,0]=4 17942 B10R2.6 c1ccc(cc1)C2CC2 271570a_100011220607_100000210277 [1,0,0,1,0,0|1,0,0]=3 17943 B10R2.6 c1ccc(nc1)C2CC2 271570a_100011220607_100011216584 [1,0,0,1,0,0|2,0,0]=4 17944 B10R2.6 c1cncc(c1)C2CC2 271570a_100011220607_100000752921 [1,0,0,1,0,0|2,0,0]=4 17945 B10R2.193 c1cc(cs1)OC2CC2 34a_100000106738_100000211595 [0,0,0,1,1,0|2,0,0]=4 17946 B12R2.24 Oc1ccc2c(c1)CCCC2 271570a_203496583355_100011221367 [0,1,0,1,0,0|2,0,0]=4 17947 B12R2.24 Oc1ccc2c(c1)CCCN2 271570a_203496583355_100016994925 [0,1,0,1,0,0|2,0,0]=4 17948 B12R2.24 Oc1ccc2c(c1)CCCO2 271570a_203496583355_100011393166 [0,1,0,1,0,0|1,0,0]=3 17949 B12R2.24 Oc1ccc2c(c1)NCCC2 271570a_203496583355_100010196366 [0,1,0,1,0,0|2,0,0]=4 17950 B12R2.24 Oc1ccc2c(c1)NCCO2 271570a_203496583355_100000708519 [0,1,0,1,0,0|1,0,0]=3 17951 B12R2.24 Oc1ccc2c(c1)NCCS2 271570a_203496583355_100013243616 [0,1,0,1,0,0|1,1,0]=4 17952 B12R2.24 Oc1ccc2c(c1)OCCC2 271570a_203496583355_100010700467 [0,1,0,1,0,0|1,0,0]=3 17953 B12R2.24 Oc1ccc2c(c1)OCCN2 271570a_203496583355_100012355470 [0,1,0,1,0,0|1,0,0]=3 17954 B12R2.24 Oc1ccc2c(c1)OCCO2 271570a_203496583355_100000184379 [0,1,0,1,0,0|0,0,0]=2 17955 B12R2.24 Oc1ccc2c(n1)NCCO2 271570a_203496583355_100010209492 [0,1,0,1,0,0|2,0,0]=4 17956 B12R2.24 Oc1cnc2c(c1)CCCO2 271570a_203496583355_100010109689 [0,1,0,1,0,0|2,0,0]=4 17957 B12R2.24 Oc1cnc2c(c1)NCCO2 271570a_203496583355_100000700286 [0,1,0,1,0,0|2,0,0]=4 17958 B12R2.24 Oc1cnc2c(c1)OCCN2 271570a_203496583355_100009816924 [0,1,0,1,0,0|2,0,0]=4 17959 B12R2.79 NC1CC1c2ccc(cc2)O 271570a_203496583355_100000755575 [0,1,0,1,0,0|2,0,0]=4 17960 B12R2.132 NC1CCc2c1cc(cc2)O 271570a_203496583355_100011435097 [0,1,0,1,0,0|2,0,0]=4 17961 B12R2.132 O=C1COc2c1cc(cc2)O 271570a_203496583355_100000752586 [0,1,0,1,0,0|0,0,2]=4 17962 B12R2.132 Oc1ccc2c(c1)C(CC2)O 271570a_203496583355_100011836024 [0,1,0,1,0,0|1,0,0]=3 17963 B12R2.294 Brc1ccc(cc1)NC2CC2 34a_100000210018_100000211595 [0,1,0,1,0,0|2,0,0]=4 17964 B12R2.294 Brc1ccc(cc1)OC2CC2 34a_100000185759_100000211595 [0,1,0,1,0,0|1,0,0]=3 17965 B12R2.294 Brc1ccc(cc1)SC2CC2 62a_100000752885_100000211595 [0,1,0,1,0,0|1,1,0]=4 17966 B12R2.294 Brc1ccc(cn1)OC2CC2 34a_100000685995_100000211595 [0,1,0,1,0,0|2,0,0]=4 17967 B12R2.294 Cc1ccc(cc1)NC2CC2 34a_100000124888_100000211595 [0,1,0,1,0,0|2,0,0]=4 17968 B12R2.294 Cc1ccc(cc1)OC2CC2 34a_100000210336_100000211595 [0,1,0,1,0,0|1,0,0]=3 17969 B12R2.294 Cc1ccc(cc1)SC2CC2 62a_100000186775_100000211595 [0,1,0,1,0,0|1,1,0]=4 17970 B12R2.294 Cc1ccc(cn1)OC2CC2 34a_100000745506_100000211595 [0,1,0,1,0,0|2,0,0]=4 17971 B12R2.294 Cc1ccc(nc1)OC2CC2 34a_100000759353_100000211595 [0,1,0,1,0,0|2,0,0]=4 17972 B12R2.294 Clc1ccc(cc1)NC2CC2 34a_100000210052_100000211595 [0,1,0,1,0,0|2,0,0]=4 17973 B12R2.294 Clc1ccc(cc1)OC2CC2 34a_100000210216_100000211595 [0,1,0,1,0,0|1,0,0]=3 17974 B12R2.294 Clc1ccc(cc1)SC2CC2 62a_100000755918_100000211595 [0,1,0,1,0,0|1,1,0]=4 17975 B12R2.294 Clc1ccc(cn1)OC2CC2 34a_100000744096_100000211595 [0,1,0,1,0,0|2,0,0]=4 17976 B12R2.294 Clc1ccc(nc1)OC2CC2 34a_100011215309_100000211595 [0,1,0,1,0,0|2,0,0]=4 17977 B12R2.294 Fc1ccc(cc1)NC2CC2 34a_100000185862_100000211595 [0,1,0,1,0,0|2,0,0]=4 17978 B12R2.294 Fc1ccc(cc1)OC2CC2 34a_100000210339_100000211595 [0,1,0,1,0,0|1,0,0]=3 17979 B12R2.294 Fc1ccc(cc1)SC2CC2 62a_100000211213_100000211595 [0,1,0,1,0,0|1,1,0]=4 17980 B12R2.294 Fc1ccc(cn1)OC2CC2 34a_100000688820_100000211595 [0,1,0,1,0,0|2,0,0]=4 17981 B12R2.294 Fc1ccc(nc1)OC2CC2 34a_100000742473_100000211595 [0,1,0,1,0,0|2,0,0]=4 17982 B12R2.294 Ic1ccc(cc1)NC2CC2 34a_100000185761_100000211595 [0,1,0,1,0,0|2,0,0]=4 17983 B12R2.294 Ic1ccc(cc1)OC2CC2 34a_100000212066_100000211595 [0,1,0,1,0,0|1,0,0]=3 17984 B12R2.294 Ic1ccc(cn1)OC2CC2 34a_100000687607_100000211595 [0,1,0,1,0,0|2,0,0]=4 17985 B12R2.294 Nc1ccc(cc1)OC2CC2 34a_100000185829_100000211595 [0,1,0,1,0,0|1,0,0]=3 17986 B12R2.294 Nc1ccc(cc1)SC2CC2 62a_100000185761_100000211595 [0,1,0,1,0,0|1,1,0]=4 17987 B12R2.294 Nc1ccc(cn1)OC2CC2 34a_100015188713_100000211595 [0,1,0,1,0,0|2,0,0]=4 17988 B12R2.294 Nc1ccc(nc1)OC2CC2 34a_100000729260_100000211595 [0,1,0,1,0,0|2,0,0]=4 17989 B12R2.294 O=c1ccc(c[nH]1)OC2CC2 34a_100000075641_100000211595 [0,1,0,1,0,0|2,0,0]=4 17990 B12R2.294 Oc1ccc(cc1)NC2CC2 34a_100000185829_100000211595 [0,1,0,1,0,0|2,0,0]=4 17991 B12R2.294 Oc1ccc(cc1)OC2CC2 271570a_203496583355_100000704264 [0,1,0,1,0,0|1,0,0]=3 17992 B12R2.2302 Oc1ccc(cc1)C2CCC2 271570a_203496583355_200010114027 [0,1,0,1,0,0|2,0,0]=4 17993 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [0,1,0,1,0,0|2,0,0]=4 17994 B12R2.2 C1=C(CCO1)c2ccccc2 271570a_100000118173_100000210277 [0,1,0,1,0,0|1,0,0]=3 17995 B12R2.2 C1=C(CCO1)c2ccccn2 271570a_100000118173_100011216584 [0,1,0,1,0,0|2,0,0]=4 17996 B12R2.2 C1=C(CCO1)c2cccnc2 271570a_100000118173_100000752921 [0,1,0,1,0,0|2,0,0]=4 17997 B12R2.2 C1=C(CCO1)c2ccncc2 271570a_100000118173_100000035832 [0,1,0,1,0,0|2,0,0]=4 17998 B12R2.2 C1=C(COC1)c2ccccc2 271570a_100009872500_100000210277 [0,1,0,1,0,0|1,0,1]=4 17999 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000210301 [0,1,0,1,0,0|2,0,0]=4 18000 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000210301 [0,1,0,1,0,0|2,0,0]=4 18001 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200025704644 [0,1,0,1,0,0|2,0,0]=4 18002 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200025704644 [0,1,0,1,0,0|2,0,0]=4 18003 B12R2.931 CCSC1Cc2c1cccc2 62a_100000210202_100009813401 [0,1,0,1,0,0|2,0,0]=4 18004 B12R2.931 CCSC1Cc2c1cccc2 62a_100009813401_100000210202 [0,1,0,1,0,0|2,0,0]=4 18005 B12R2.931 COCC1Cc2c1cccc2 34a_100012476685_200000210301 [0,1,0,1,0,0|1,0,0]=3 18006 B12R2.931 COCC1Cc2c1cccc2 7a_100012476685_200000210301 [0,1,0,1,0,0|1,0,0]=3 18007 B12R2.931 FCSC1Cc2c1cccc2 62a_100009813401_100015361967 [0,1,0,1,0,0|2,0,0]=4 18008 B12R2.931 FCSC1Cc2c1cccc2 62a_100015361967_100009813401 [0,1,0,1,0,0|2,0,0]=4 18009 B12R2.931 [13CH3]OCC1Cc2c1cccc2 34a_100012476685_200025704644 [0,1,0,1,0,0|1,0,0]=3 18010 B12R2.931 [13CH3]OCC1Cc2c1cccc2 7a_100012476685_200025704644 [0,1,0,1,0,0|1,0,0]=3 18011 B12R2.1081 Oc1cccc2c1CCCC2 271570a_203496583355_100012354034 [0,1,0,1,0,0|2,0,0]=4 18012 B12R2.1081 Oc1cccc2c1CCCN2 271570a_203496583355_100010196365 [0,1,0,1,0,0|2,0,0]=4 18013 B12R2.1081 Oc1cccc2c1CCCO2 271570a_203496583355_100010188023 [0,1,0,1,0,0|1,0,0]=3 18014 B12R2.1081 Oc1cccc2c1NCCO2 271570a_203496583355_100015018771 [0,1,0,1,0,0|1,0,0]=3 18015 B12R2.1081 Oc1cccc2c1OCCC2 271570a_203496583355_100010204675 [0,1,0,1,0,0|1,0,0]=3 18016 B12R2.1081 Oc1cccc2c1OCCN2 271570a_203496583355_100000726803 [0,1,0,1,0,0|1,0,0]=3 18017 B12R2.1081 Oc1cccc2c1OCCO2 271570a_203496583355_100009815980 [0,1,0,1,0,0|0,0,0]=2 18018 B12R2.1081 Oc1nccc2c1NCCO2 271570a_203496583355_100009829486 [0,1,0,1,0,0|2,0,0]=4 18019 B12R2.2075 C=C(c1ccccc1)C2CC2 271570a_100010895485_100000210277 [0,1,0,1,0,0|2,0,0]=4 18020 B12R2.2075 CN(c1ccccc1)C2CC2 269982a_100000210012_100000211595 [0,1,0,1,0,0|2,0,0]=4 18021 B12R2.2075 CN(c1ccccc1)C2CC2 34a_100000210012_100000211595 [0,1,0,1,0,0|2,0,0]=4 18022 B12R2.196 NC1CCc2c1cccc2O 271570a_203496583355_100000751068 [0,1,0,1,0,0|2,0,0]=4 18023 B12R2.196 NC1COc2c1cccc2O 271570a_203496583355_100025715106 [0,1,0,1,0,0|1,0,0]=3 18024 B12R2.196 O=C1COc2c1cccc2O 271570a_203496583355_100011230590 [0,1,0,1,0,0|0,0,2]=4 18025 B12R2.196 Oc1cccc2c1CC[C@@H]2O 271570a_203496583355_100010080924 [0,1,0,1,0,0|1,0,0]=3 18026 B12R2.196 Oc1ccnc2c1CCC2O 271570a_203496583355_100009868430 [0,1,0,1,0,0|2,0,0]=4 18027 B12R2.225 Brc1ccccc1NC2CC2 34a_100000210017_100000211595 [0,1,0,1,0,0|2,0,0]=4 18028 B12R2.225 Brc1ccccc1OC2CC2 34a_100000181306_100000211595 [0,1,0,1,0,0|1,0,0]=3 18029 B12R2.225 Brc1ccccc1SC2CC2 62a_100000695589_100000211595 [0,1,0,1,0,0|1,1,0]=4 18030 B12R2.225 Brc1cnccc1OC2CC2 34a_100011996408_100000211595 [0,1,0,1,0,0|2,0,0]=4 18031 B12R2.225 Brc1ncccc1OC2CC2 34a_100000744436_100000211595 [0,1,0,1,0,0|2,0,0]=4 18032 B12R2.225 Cc1ccccc1NC2CC2 34a_100015192222_100000211595 [0,1,0,1,0,0|2,0,0]=4 18033 B12R2.225 Cc1ccccc1OC2CC2 34a_100000210338_100000211595 [0,1,0,1,0,0|1,0,0]=3 18034 B12R2.225 Cc1ccccc1SC2CC2 62a_100000210755_100000211595 [0,1,0,1,0,0|1,1,0]=4 18035 B12R2.225 Cc1ccncc1OC2CC2 34a_100011997053_100000211595 [0,1,0,1,0,0|2,0,0]=4 18036 B12R2.225 Cc1cnccc1OC2CC2 34a_100000694293_100000211595 [0,1,0,1,0,0|2,0,0]=4 18037 B12R2.225 Cc1ncccc1OC2CC2 34a_100000745507_100000211595 [0,1,0,1,0,0|2,0,0]=4 18038 B12R2.225 Clc1ccccc1NC2CC2 34a_100000185783_100000211595 [0,1,0,1,0,0|2,0,0]=4 18039 B12R2.225 Clc1ccccc1OC2CC2 34a_100000210172_100000211595 [0,1,0,1,0,0|1,0,0]=3 18040 B12R2.225 Clc1ccccc1SC2CC2 62a_100000764095_100000211595 [0,1,0,1,0,0|1,1,0]=4 18041 B12R2.225 Clc1cccnc1OC2CC2 34a_100011290957_100000211595 [0,1,0,1,0,0|2,0,0]=4 18042 B12R2.225 Clc1ccncc1OC2CC2 34a_100011996695_100000211595 [0,1,0,1,0,0|2,0,0]=4 18043 B12R2.225 Clc1cnccc1OC2CC2 34a_100011997054_100000211595 [0,1,0,1,0,0|2,0,0]=4 18044 B12R2.225 Clc1ncccc1OC2CC2 34a_100000757616_100000211595 [0,1,0,1,0,0|2,0,0]=4 18045 B12R2.225 Fc1ccccc1NC2CC2 34a_100000210422_100000211595 [0,1,0,1,0,0|2,0,0]=4 18046 B12R2.225 Fc1ccccc1OC2CC2 34a_100000210171_100000211595 [0,1,0,1,0,0|1,0,0]=3 18047 B12R2.225 Fc1ccccc1SC2CC2 62a_100011215700_100000211595 [0,1,0,1,0,0|1,1,0]=4 18048 B12R2.225 Fc1cccnc1OC2CC2 34a_100011219419_100000211595 [0,1,0,1,0,0|2,0,0]=4 18049 B12R2.225 Fc1cnccc1OC2CC2 34a_200000081243_100000211595 [0,1,0,1,0,0|2,0,0]=4 18050 B12R2.225 Fc1ncccc1OC2CC2 34a_100000061740_100000211595 [0,1,0,1,0,0|2,0,0]=4 18051 B12R2.225 Ic1ccccc1NC2CC2 34a_100000210053_100000211595 [0,1,0,1,0,0|2,0,0]=4 18052 B12R2.225 Ic1ccccc1OC2CC2 34a_100000739446_100000211595 [0,1,0,1,0,0|1,0,0]=3 18053 B12R2.225 Ic1ccncc1OC2CC2 34a_100000050107_100000211595 [0,1,0,1,0,0|2,0,0]=4 18054 B12R2.225 Ic1ncccc1OC2CC2 34a_100000034122_100000211595 [0,1,0,1,0,0|2,0,0]=4 18055 B12R2.225 Nc1ccccc1OC2CC2 34a_100000185747_100000211595 [0,1,0,1,0,0|1,0,0]=3 18056 B12R2.225 Nc1ccccc1SC2CC2 62a_100000210017_100000211595 [0,1,0,1,0,0|1,1,0]=4 18057 B12R2.225 Nc1cccnc1OC2CC2 34a_100000746358_100000211595 [0,1,0,1,0,0|2,0,0]=4 18058 B12R2.225 Nc1ccncc1OC2CC2 34a_100000753702_100000211595 [0,1,0,1,0,0|2,0,0]=4 18059 B12R2.225 Nc1ncccc1OC2CC2 34a_100000211975_100000211595 [0,1,0,1,0,0|2,0,0]=4 18060 B12R2.225 O=c1ccocc1OC2CC2 34a_100000060831_100000211595 [0,1,0,1,0,0|2,0,0]=4 18061 B12R2.225 O=c1occcc1OC2CC2 34a_100000077404_100000211595 [0,1,0,1,0,0|2,0,0]=4 18062 B12R2.225 Oc1ccccc1NC2CC2 34a_100000185747_100000211595 [0,1,0,1,0,0|2,0,0]=4 18063 B12R2.225 Oc1ccccc1OC2CC2 271570a_203496583355_100012344913 [0,1,0,1,0,0|1,0,0]=3 18064 B12R2.225 Oc1ccccc1SC2CC2 62a_100000739446_100000211595 [0,1,0,1,0,0|1,1,0]=4 18065 B12R2.203 NC1CCc2c1c(ccc2)O 271570a_203496583355_100103168669 [0,1,0,1,0,0|2,0,0]=4 18066 B12R2.203 O=C1COc2c1c(ccc2)O 271570a_203496583355_100010205902 [0,1,0,1,0,0|0,0,2]=4 18067 B12R2.203 Oc1cccc2c1C(CS2)O 271570a_203496583355_200010991195 [0,1,0,1,0,0|0,1,0]=3 18068 B12R2.612 NC1CCc2c1ccc(c2)O 271570a_203496583355_100000744021 [0,1,0,1,0,0|2,0,0]=4 18069 B12R2.612 NC1COc2c1ccc(c2)O 271570a_203496583355_100020628175 [0,1,0,1,0,0|1,0,0]=3 18070 B12R2.612 O=C1COc2c1ccc(c2)O 271570a_203496583355_100000686717 [0,1,0,1,0,0|0,0,2]=4 18071 B12R2.612 Oc1ccc2c(c1)CCC2O 271570a_203496583355_100000747877 [0,1,0,1,0,0|1,0,0]=3 18072 B12R2.612 Oc1ccc2c(noc2c1)O 271570a_203496583355_100000727085 [0,1,0,1,0,0|1,0,1]=4 18073 B12R2.1286 Brc1cccc(c1)NC2CC2 34a_100000210019_100000211595 [0,1,0,1,0,0|2,0,0]=4 18074 B12R2.1286 Brc1cccc(c1)OC2CC2 34a_100000210342_100000211595 [0,1,0,1,0,0|1,0,0]=3 18075 B12R2.1286 Brc1cccc(c1)SC2CC2 62a_100000691529_100000211595 [0,1,0,1,0,0|1,1,0]=4 18076 B12R2.1286 Brc1cncc(c1)OC2CC2 34a_100000754920_100000211595 [0,1,0,1,0,0|2,0,0]=4 18077 B12R2.1286 Cc1cc(ccn1)OC2CC2 34a_100000688365_100000211595 [0,1,0,1,0,0|2,0,0]=4 18078 B12R2.1286 Cc1cccc(c1)NC2CC2 34a_100000188690_100000211595 [0,1,0,1,0,0|2,0,0]=4 18079 B12R2.1286 Cc1cccc(c1)OC2CC2 34a_100000210337_100000211595 [0,1,0,1,0,0|1,0,0]=3 18080 B12R2.1286 Cc1cccc(c1)SC2CC2 62a_100011215228_100000211595 [0,1,0,1,0,0|1,1,0]=4 18081 B12R2.1286 Cc1cncc(c1)OC2CC2 34a_100011830280_100000211595 [0,1,0,1,0,0|2,0,0]=4 18082 B12R2.1286 Clc1cc(ccn1)OC2CC2 34a_100000762945_100000211595 [0,1,0,1,0,0|2,0,0]=4 18083 B12R2.1286 Clc1cccc(c1)NC2CC2 34a_100000185859_100000211595 [0,1,0,1,0,0|2,0,0]=4 18084 B12R2.1286 Clc1cccc(c1)OC2CC2 34a_100000210295_100000211595 [0,1,0,1,0,0|1,0,0]=3 18085 B12R2.1286 Clc1cccc(c1)SC2CC2 62a_100000699651_100000211595 [0,1,0,1,0,0|1,1,0]=4 18086 B12R2.1286 Fc1cc(ccn1)OC2CC2 34a_100000732698_100000211595 [0,1,0,1,0,0|2,0,0]=4 18087 B12R2.1286 Fc1cccc(c1)NC2CC2 34a_100000210047_100000211595 [0,1,0,1,0,0|2,0,0]=4 18088 B12R2.1286 Fc1cccc(c1)OC2CC2 34a_100000210426_100000211595 [0,1,0,1,0,0|1,0,0]=3 18089 B12R2.1286 Fc1cccc(c1)SC2CC2 62a_100000685547_100000211595 [0,1,0,1,0,0|1,1,0]=4 18090 B12R2.1286 Fc1cccc(n1)OC2CC2 34a_100011432558_100000211595 [0,1,0,1,0,0|2,0,0]=4 18091 B12R2.1286 Fc1cncc(c1)OC2CC2 34a_100011830296_100000211595 [0,1,0,1,0,0|2,0,0]=4 18092 B12R2.1286 Ic1cccc(c1)NC2CC2 34a_100000211102_100000211595 [0,1,0,1,0,0|2,0,0]=4 18093 B12R2.1286 Ic1cccc(c1)OC2CC2 34a_100000211634_100000211595 [0,1,0,1,0,0|1,0,0]=3 18094 B12R2.1286 Nc1cc(ccn1)OC2CC2 34a_100011834064_100000211595 [0,1,0,1,0,0|2,0,0]=4 18095 B12R2.1286 Nc1cccc(c1)OC2CC2 34a_100000210217_100000211595 [0,1,0,1,0,0|1,0,0]=3 18096 B12R2.1286 Nc1cccc(c1)SC2CC2 62a_100000210019_100000211595 [0,1,0,1,0,0|1,1,0]=4 18097 B12R2.1286 Nc1cncc(c1)OC2CC2 34a_100011997051_100000211595 [0,1,0,1,0,0|2,0,0]=4 18098 B12R2.1286 O=c1cc(cc[nH]1)OC2CC2 34a_100000032262_100000211595 [0,1,0,1,0,0|2,0,0]=4 18099 B12R2.1286 O=c1cccc([nH]1)OC2CC2 34a_100000033347_100000211595 [0,1,0,1,0,0|2,0,0]=4 18100 B12R2.1286 Oc1cccc(c1)NC2CC2 34a_100000210217_100000211595 [0,1,0,1,0,0|2,0,0]=4 18101 B12R2.1286 Oc1cccc(c1)OC2CC2 271570a_203496583355_100012344912 [0,1,0,1,0,0|1,0,0]=3 18102 B12R2.1286 Oc1cccc(c1)SC2CC2 271570a_203496583355_200010157562 [0,1,0,1,0,0|1,1,0]=4 18103 B12R2.1286 Oc1cccc(n1)OC2CC2 271570a_203496583355_100010191207 [0,1,0,1,0,0|2,0,0]=4 18104 B12R2.1286 Oc1ccnc(c1)OC2CC2 271570a_203496583355_100010191144 [0,1,0,1,0,0|2,0,0]=4 18105 B12R2.1286 [O-][n+]1cccc(c1)OC2CC2 34a_100000039713_100000211595 [0,1,0,1,0,0|2,0,0]=4 18106 B12R2.1286 [S]c1cccc(c1)SC2CC2 62a_114929384022_100000211595 [0,1,0,1,0,0|1,1,0]=4 18107 B12R2.1 CNC1CCc2c1cccc2 2230a_106832991635_200000721974 [0,1,0,1,0,0|2,0,0]=4 18108 B12R2.1 CNC1CCc2c1cccc2 269862a_106832991636_100000212051 [0,1,0,1,0,0|2,0,0]=4 18109 B12R2.1 CNC1COc2c1cccc2 2230a_100000747519_200000210301 [0,1,0,1,0,0|1,0,0]=3 18110 B12R2.1 CN[C@H]1CCc2c1cccc2 2230a_100016989578_200000210301 [0,1,0,1,0,0|2,0,0]=4 18111 B12R2.1 CN[C@H]1CCc2c1cccc2 34a_100016989578_200000210301 [0,1,0,1,0,0|2,0,0]=4 18112 B12R2.1 COC1CCc2c1cccc2 34a_100000212247_200000210301 [0,1,0,1,0,0|1,0,0]=3 18113 B12R2.1 COC1CCc2c1cccc2 7a_100000212247_200000210301 [0,1,0,1,0,0|1,0,0]=3 18114 B12R2.1 CSC1CCc2c1cccc2 62a_200000210301_200000721974 [0,1,0,1,0,0|1,1,0]=4 18115 B12R2.1 [13CH3]NC1COc2c1cccc2 2230a_100000747519_200025704644 [0,1,0,1,0,0|1,0,0]=3 18116 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 2230a_100016989578_200025704644 [0,1,0,1,0,0|2,0,0]=4 18117 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 34a_100016989578_200025704644 [0,1,0,1,0,0|2,0,0]=4 18118 B12R2.1 [13CH3]OC1CCc2c1cccc2 34a_100000212247_200025704644 [0,1,0,1,0,0|1,0,0]=3 18119 B12R2.1 [13CH3]OC1CCc2c1cccc2 7a_100000212247_200025704644 [0,1,0,1,0,0|1,0,0]=3 18120 B12R2.1 [13CH3]SC1CCc2c1cccc2 62a_200025704644_200000721974 [0,1,0,1,0,0|1,1,0]=4 18121 B12R2.11 CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_200000210301 [0,1,0,1,0,0|2,0,0]=4 18122 B12R2.11 CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_200000210301 [0,1,0,1,0,0|2,0,0]=4 18123 B12R2.11 CN1C[C@@H]1Cc2ccccc2 34a_100016998360_200000210301 [0,1,0,1,0,0|2,0,0]=4 18124 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 2230a_100016998360_200025704644 [0,1,0,1,0,0|2,0,0]=4 18125 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 269982a_100016998360_200025704644 [0,1,0,1,0,0|2,0,0]=4 18126 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 34a_100016998360_200025704644 [0,1,0,1,0,0|2,0,0]=4 18127 B12R2.23 CN1CCC1c2ccccc2 2230a_100000739605_200000210301 [0,1,0,1,0,0|2,0,0]=4 18128 B12R2.23 CN1CCC1c2ccccc2 269982a_100000739605_200000210301 [0,1,0,1,0,0|2,0,0]=4 18129 B12R2.23 [13CH3]N1CCC1c2ccccc2 2230a_100000739605_200025704644 [0,1,0,1,0,0|2,0,0]=4 18130 B12R2.23 [13CH3]N1CCC1c2ccccc2 269982a_100000739605_200025704644 [0,1,0,1,0,0|2,0,0]=4 18131 B12R2.2057 C(#CC1CC1)c2ccccc2 271570a_200009880635_100000210277 [0,1,0,1,0,0|2,0,0]=4 18132 B12R2.2057 C(=CC1CC1)c2ccccc2 271570a_100102526188_100000210277 [0,1,0,1,0,0|2,0,0]=4 18133 B12R2.2057 c1cc(ccn1)OCC2CC2 34a_100000212176_100000742324 [0,1,0,1,0,0|2,0,0]=4 18134 B12R2.2057 c1cc(ccn1)OCC2CO2 34a_100000212176_102125554688 [0,1,0,1,0,0|1,0,0]=3 18135 B12R2.2057 c1cc(ccn1)SCC2CO2 62a_100000728582_102125554688 [0,1,0,1,0,0|1,1,0]=4 18136 B12R2.2057 c1cc(ccn1)SCC2CO2 62a_102125554688_100000728582 [0,1,0,1,0,0|1,1,0]=4 18137 B12R2.2057 c1cc(ccn1)SC[C@@H]2CO2 62a_100000728582_100000745022 [0,1,0,1,0,0|1,1,0]=4 18138 B12R2.2057 c1cc(ccn1)SC[C@@H]2CO2 62a_100000745022_100000728582 [0,1,0,1,0,0|1,1,0]=4 18139 B12R2.2057 c1cc(cnn1)OCC2CO2 34a_100015204005_102125554688 [0,1,0,1,0,0|2,0,0]=4 18140 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100000212008_100015291786 [0,1,0,1,0,0|2,0,0]=4 18141 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100015324214_100000211595 [0,1,0,1,0,0|2,0,0]=4 18142 B12R2.2057 c1ccc(cc1)COC2CC2 34a_100000210790_100000211595 [0,1,0,1,0,0|1,0,0]=3 18143 B12R2.2057 c1ccc(cc1)CSC2CC2 62a_100000211182_100000211595 [0,1,0,1,0,0|1,1,0]=4 18144 B12R2.2057 c1ccc(cc1)NCC2CC2 34a_100000106764_100000742324 [0,1,0,1,0,0|2,0,0]=4 18145 B12R2.2057 c1ccc(cc1)NCC2CO2 34a_100000106764_102125554688 [0,1,0,1,0,0|1,0,0]=3 18146 B12R2.2057 c1ccc(cc1)OCC2CC2 34a_100000210340_100000742324 [0,1,0,1,0,0|1,0,0]=3 18147 B12R2.2057 c1ccc(cc1)OCC2CC2 7a_100000210340_100000742324 [0,1,0,1,0,0|1,0,0]=3 18148 B12R2.2057 c1ccc(cc1)OCC2CO2 34a_100000210340_102125554688 [0,1,0,1,0,0|0,0,0]=2 18149 B12R2.2057 c1ccc(cc1)OCC2CO2 7a_100000210340_102125554688 [0,1,0,1,0,0|0,0,0]=2 18150 B12R2.2057 c1ccc(cc1)OCC2CS2 7a_100000210340_100000031435 [0,1,0,1,0,0|0,1,0]=3 18151 B12R2.2057 c1ccc(cc1)OC[C@@H]2CO2 7a_100000210340_100000745022 [0,1,0,1,0,0|0,0,0]=2 18152 B12R2.2057 c1ccc(cc1)SCC2CC2 62a_100000719477_100000742324 [0,1,0,1,0,0|1,1,0]=4 18153 B12R2.2057 c1ccc(cc1)SCC2CC2 62a_100000756562_100000041952 [0,1,0,1,0,0|1,1,0]=4 18154 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_100000719477_102125554688 [0,1,0,1,0,0|0,1,0]=3 18155 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_102125554688_100000041952 [0,1,0,1,0,0|0,1,0]=3 18156 B12R2.2057 c1ccc(cc1)SCC2CS2 62a_100000031435_100000041952 [0,1,0,1,0,0|0,2,0]=4 18157 B12R2.2057 c1ccc(cc1)SCC2CS2 62a_100000719477_100000031435 [0,1,0,1,0,0|0,2,0]=4 18158 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000719477_100000745022 [0,1,0,1,0,0|0,1,0]=3 18159 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000041952 [0,1,0,1,0,0|0,1,0]=3 18160 B12R2.2057 c1ccc(nc1)SCC2CO2 62a_100011216584_102125554688 [0,1,0,1,0,0|1,1,0]=4 18161 B12R2.2057 c1ccc(nc1)SCC2CO2 62a_102125554688_100011216584 [0,1,0,1,0,0|1,1,0]=4 18162 B12R2.2057 c1ccc(nc1)SC[C@@H]2CO2 62a_100000745022_100011216584 [0,1,0,1,0,0|1,1,0]=4 18163 B12R2.2057 c1ccc(nc1)SC[C@@H]2CO2 62a_100011216584_100000745022 [0,1,0,1,0,0|1,1,0]=4 18164 B12R2.2057 c1cncc(c1)OCC2CC2 34a_100000210849_100000742324 [0,1,0,1,0,0|2,0,0]=4 18165 B12R2.2057 c1cncc(c1)OCC2CC2 7a_100000210849_100000742324 [0,1,0,1,0,0|2,0,0]=4 18166 B12R2.2057 c1cncc(c1)OCC2CO2 34a_100000210849_102125554688 [0,1,0,1,0,0|1,0,0]=3 18167 B12R2.2057 c1cncc(c1)OCC2CO2 7a_100000210849_102125554688 [0,1,0,1,0,0|1,0,0]=3 18168 B12R2.2057 c1cncc(c1)OCC2CS2 7a_100000210849_100000031435 [0,1,0,1,0,0|1,1,0]=4 18169 B12R2.2057 c1cncc(c1)OC[C@@H]2CO2 7a_100000210849_100000745022 [0,1,0,1,0,0|1,0,0]=3 18170 B12R2.2057 c1cncc(c1)SCC2CO2 62a_100000210063_102125554688 [0,1,0,1,0,0|1,1,0]=4 18171 B12R2.2057 c1cncc(c1)SCC2CO2 62a_102125554688_100000210063 [0,1,0,1,0,0|1,1,0]=4 18172 B12R2.2057 c1cncc(c1)SC[C@@H]2CO2 62a_100000210063_100000745022 [0,1,0,1,0,0|1,1,0]=4 18173 B12R2.2057 c1cncc(c1)SC[C@@H]2CO2 62a_100000745022_100000210063 [0,1,0,1,0,0|1,1,0]=4 18174 B12R2.2057 c1ncc(cn1)OCC2CO2 7a_100000754086_102125554688 [0,1,0,1,0,0|2,0,0]=4 18175 B12R2.2057 c1ncc(cn1)OC[C@@H]2CO2 7a_100000754086_100000745022 [0,1,0,1,0,0|2,0,0]=4 18176 B12R2.2058 c1cc(ccn1)OC2CCC2 34a_100000212176_100000749161 [0,1,0,1,0,0|2,0,0]=4 18177 B12R2.2058 c1cc(ccn1)OC2COC2 34a_100000212176_100009818527 [0,1,0,1,0,0|1,0,0]=3 18178 B12R2.2058 c1cc(ccn1)SC2COC2 62a_100000728582_100009818527 [0,1,0,1,0,0|1,1,0]=4 18179 B12R2.2058 c1cc(cnn1)OC2COC2 34a_100015204005_100009818527 [0,1,0,1,0,0|2,0,0]=4 18180 B12R2.2058 c1ccc(cc1)CN2CCC2 269982a_100000754969_100000211182 [0,1,0,1,0,0|2,0,0]=4 18181 B12R2.2058 c1ccc(cc1)NC2CCC2 34a_100000106764_100000749161 [0,1,0,1,0,0|2,0,0]=4 18182 B12R2.2058 c1ccc(cc1)NC2COC2 34a_100000106764_100009818527 [0,1,0,1,0,0|1,0,0]=3 18183 B12R2.2058 c1ccc(cc1)OC2CCC2 34a_100000210340_100000749161 [0,1,0,1,0,0|1,0,0]=3 18184 B12R2.2058 c1ccc(cc1)OC2COC2 34a_100000210340_100009818527 [0,1,0,1,0,0|0,0,0]=2 18185 B12R2.2058 c1ccc(cc1)OC2COC2 7a_100000210340_100009818527 [0,1,0,1,0,0|0,0,0]=2 18186 B12R2.2058 c1ccc(cc1)SC2CCC2 62a_100000719477_100000749161 [0,1,0,1,0,0|1,1,0]=4 18187 B12R2.2058 c1ccc(cc1)SC2COC2 62a_100000719477_100009818527 [0,1,0,1,0,0|0,1,0]=3 18188 B12R2.2058 c1ccc(nc1)SC2COC2 62a_100011216584_100009818527 [0,1,0,1,0,0|1,1,0]=4 18189 B12R2.2058 c1cncc(c1)OC2CCC2 34a_100000210849_100000749161 [0,1,0,1,0,0|2,0,0]=4 18190 B12R2.2058 c1cncc(c1)OC2COC2 34a_100000210849_100009818527 [0,1,0,1,0,0|1,0,0]=3 18191 B12R2.2058 c1cncc(c1)OC2COC2 7a_100000210849_100009818527 [0,1,0,1,0,0|1,0,0]=3 18192 B12R2.2058 c1cncc(c1)SC2COC2 62a_100000210063_100009818527 [0,1,0,1,0,0|1,1,0]=4 18193 B12R2.2058 c1ncc(cn1)OC2COC2 7a_100000754086_100009818527 [0,1,0,1,0,0|2,0,0]=4 18194 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,1,0,1,0,0|0,0,2]=4 18195 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [1,0,0,0,1,0|1,0,0]=3 18196 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [1,0,0,0,1,0|1,0,0]=3 18197 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [1,0,0,0,1,0|1,1,0]=4 18198 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [1,0,0,0,1,0|1,1,0]=4 18199 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [1,0,0,0,1,0|1,1,0]=4 18200 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [1,0,0,0,1,0|1,1,0]=4 18201 B8R1.8 CCSc1ccoc1 62a_100000210202_100011215275 [1,0,0,0,1,0|1,1,0]=4 18202 B8R1.8 CCSc1ccoc1 62a_100011215275_100000210202 [1,0,0,0,1,0|1,1,0]=4 18203 B8R1.8 CCSc1ccsc1 62a_100000210202_100000738268 [1,0,0,0,1,0|1,1,0]=4 18204 B8R1.8 CCSc1ccsc1 62a_100000738268_100000210202 [1,0,0,0,1,0|1,1,0]=4 18205 B8R1.8 FCOc1ccsc1 34a_100000106738_100015361967 [1,0,0,0,1,0|2,0,0]=4 18206 B8R1.8 FCOc1ccsc1 7a_100000106738_100015361967 [1,0,0,0,1,0|2,0,0]=4