0 B10R1.17 C#CCNc1ccccc1 34a_100000106764_100000184674 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.17 C#CCNc1cccnn1 27a_100000212058_100016991348 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.17 C#CCNc1ccncn1 27a_100000212058_100000703185 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.17 C#CCNc1cnccn1 27a_100000212058_100000211759 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.17 C#CCNc1ncccn1 27a_100000212058_100000211032 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.17 C#CCOc1ccccc1 34a_100000210340_100000184674 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.17 C#CCOc1ccccc1 7a_100000210340_100000038162 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.17 C#CCSc1ccccc1 62a_100000038162_100000041952 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.17 C#CCSc1ccccn1 62a_100000038162_100011216584 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.17 C#CCSc1cccnn1 62a_100000038162_100016991348 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.17 C#CCSc1ccncn1 62a_100000038162_100000703185 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.17 C#CCSc1cnccn1 62a_100000038162_100000211759 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.17 C#CCSc1ncccn1 62a_100000038162_100000211032 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.17 C=CCNc1cccnn1 27a_100020586998_100016991348 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.17 C=CCNc1ccncn1 27a_100020586998_100000703185 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.17 C=CCNc1cnccn1 27a_100020586998_100000211759 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.17 C=CCNc1ncccn1 27a_100020586998_100000211032 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.17 C=CCOc1ccccc1 7a_100000210340_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|3,0,1]=4 21 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.17 C=CCSc1ccccn1 62a_100000210623_100011216584 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.17 C=CCSc1ccccn1 62a_100011216584_100000210623 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.17 C=CCSc1cccnn1 62a_100000210623_100016991348 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.17 C=CCSc1cccnn1 62a_100016991348_100000210623 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.17 C=CCSc1ccncn1 62a_100000210623_100000703185 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.17 C=CCSc1ccncn1 62a_100000703185_100000210623 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.17 C=CCSc1cnccn1 62a_100000210623_100000211759 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.17 C=CCSc1cnccn1 62a_100000211759_100000210623 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.17 C=CCSc1ncccn1 62a_100000210623_100000211032 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.17 C=CCSc1ncccn1 62a_100000211032_100000210623 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.17 CC=NNc1ccccn1 4a_100000183288_200000210099 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.17 CC=NNc1cccnn1 4a_100000757824_200000210099 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.17 CC=NNc1ccncn1 4a_100011438088_200000210099 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.17 CC=NNc1cnccn1 4a_100000736894_200000210099 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.17 CC=NNc1ncccn1 4a_100000736892_200000210099 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [0,0,0,0,0,0|1,0,0]=1 40 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [0,0,0,0,0,0|2,0,0]=2 42 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.17 CCCCc1ccnnc1 271570a_100020621405_100000732662 [0,0,0,0,0,0|4,0,0]=4 45 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [0,0,0,0,0,0|2,0,0]=2 46 B10R1.17 CCCCc1cncnc1 271570a_100020621405_100011206942 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.17 CCCCc1ncccn1 271570a_100020621405_100000211032 [0,0,0,0,0,0|2,0,0]=2 48 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [0,0,0,0,0,0|3,0,0]=3 49 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [0,0,0,0,0,0|3,0,0]=3 50 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [0,0,0,0,0,0|3,0,0]=3 51 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [0,0,0,0,0,0|4,0,0]=4 53 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [0,0,0,0,0,0|4,0,0]=4 54 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [0,0,0,0,0,0|3,0,0]=3 55 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [0,0,0,0,0,0|3,0,0]=3 56 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [0,0,0,0,0,0|2,0,0]=2 57 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [0,0,0,0,0,0|2,0,0]=2 58 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [0,0,0,0,0,0|4,0,0]=4 59 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.17 CCCSc1cccnn1 62a_100000210303_100016991348 [0,0,0,0,0,0|3,0,0]=3 61 B10R1.17 CCCSc1cccnn1 62a_100016991348_100000210303 [0,0,0,0,0,0|3,0,0]=3 62 B10R1.17 CCCSc1ccncc1 62a_100000210303_100000728582 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.17 CCCSc1ccncc1 62a_100000728582_100000210303 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.17 CCCSc1ccncn1 62a_100000210303_100000703185 [0,0,0,0,0,0|3,0,0]=3 65 B10R1.17 CCCSc1ccncn1 62a_100000703185_100000210303 [0,0,0,0,0,0|3,0,0]=3 66 B10R1.17 CCCSc1cnccn1 62a_100000210303_100000211759 [0,0,0,0,0,0|3,0,0]=3 67 B10R1.17 CCCSc1cnccn1 62a_100000211759_100000210303 [0,0,0,0,0,0|3,0,0]=3 68 B10R1.17 CCCSc1ncccn1 62a_100000210303_100000211032 [0,0,0,0,0,0|3,0,0]=3 69 B10R1.17 CCCSc1ncccn1 62a_100000211032_100000210303 [0,0,0,0,0,0|3,0,0]=3 70 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [0,0,0,0,0,0|3,0,0]=3 71 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [0,0,0,0,0,0|3,0,0]=3 72 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [0,0,0,0,0,0|3,0,0]=3 73 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [0,0,0,0,0,0|3,0,0]=3 74 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [0,0,0,0,0,0|3,0,0]=3 75 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [0,0,0,0,0,0|2,0,0]=2 76 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [0,0,0,0,0,0|2,0,0]=2 77 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [0,0,0,0,0,0|2,0,0]=2 78 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [0,0,0,0,0,0|4,0,0]=4 79 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [0,0,0,0,0,0|4,0,0]=4 80 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [0,0,0,0,0,0|4,0,0]=4 81 B10R1.17 CCNCc1cccnn1 2230a_100015525214_100016990269 [0,0,0,0,0,0|3,0,0]=3 82 B10R1.17 CCNCc1cccnn1 2230a_100159270163_100000210202 [0,0,0,0,0,0|3,0,0]=3 83 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [0,0,0,0,0,0|4,0,0]=4 84 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [0,0,0,0,0,0|4,0,0]=4 85 B10R1.17 CCNCc1cnccn1 2230a_100015525214_100016995436 [0,0,0,0,0,0|3,0,0]=3 86 B10R1.17 CCNCc1cnccn1 270004a_100015525214_100000749867 [0,0,0,0,0,0|3,0,0]=3 87 B10R1.17 CCNCc1ncccn1 2230a_100015525214_100000703007 [0,0,0,0,0,0|3,0,0]=3 88 B10R1.17 CCNCc1ncccn1 270004a_100015525214_100011532527 [0,0,0,0,0,0|3,0,0]=3 89 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [0,0,0,0,0,0|3,0,0]=3 90 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [0,0,0,0,0,0|3,0,0]=3 91 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [0,0,0,0,0,0|3,0,0]=3 92 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [0,0,0,0,0,0|2,0,0]=2 93 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [0,0,0,0,0,0|4,0,0]=4 94 B10R1.17 CCOCc1cccnn1 34a_100121572206_100016990269 [0,0,0,0,0,0|3,0,0]=3 95 B10R1.17 CCOCc1cnccn1 34a_100121572206_100016995436 [0,0,0,0,0,0|3,0,0]=3 96 B10R1.17 CCOCc1ncccn1 34a_100121572206_100000703007 [0,0,0,0,0,0|3,0,0]=3 97 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [0,0,0,0,0,0|3,0,0]=3 98 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [0,0,0,0,0,0|3,0,0]=3 99 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [0,0,0,0,0,0|2,0,0]=2 100 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [0,0,0,0,0,0|2,0,0]=2 101 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [0,0,0,0,0,0|4,0,0]=4 102 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [0,0,0,0,0,0|4,0,0]=4 103 B10R1.17 CCSCc1cccnn1 62a_100000210202_100016990269 [0,0,0,0,0,0|3,0,0]=3 104 B10R1.17 CCSCc1cccnn1 62a_100016990269_100000210202 [0,0,0,0,0,0|3,0,0]=3 105 B10R1.17 CCSCc1ccncc1 62a_100000210202_100015193705 [0,0,0,0,0,0|4,0,0]=4 106 B10R1.17 CCSCc1ccncc1 62a_100015193705_100000210202 [0,0,0,0,0,0|4,0,0]=4 107 B10R1.17 CCSCc1cnccn1 62a_100000210202_100016995436 [0,0,0,0,0,0|3,0,0]=3 108 B10R1.17 CCSCc1cnccn1 62a_100016995436_100000210202 [0,0,0,0,0,0|3,0,0]=3 109 B10R1.17 CCSCc1ncccn1 62a_100000210202_100000703007 [0,0,0,0,0,0|3,0,0]=3 110 B10R1.17 CCSCc1ncccn1 62a_100000703007_100000210202 [0,0,0,0,0,0|3,0,0]=3 111 B10R1.17 CNCCC1=CCCCC1 2230a_100000212019_200000210301 [0,0,0,0,0,0|1,0,3]=4 112 B10R1.17 CNCCC1=CCCCC1 34a_100000212019_200000210301 [0,0,0,0,0,0|1,0,3]=4 113 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [0,0,0,0,0,0|1,0,0]=1 114 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [0,0,0,0,0,0|1,0,0]=1 115 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [0,0,0,0,0,0|1,0,0]=1 116 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [0,0,0,0,0,0|1,0,0]=1 117 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [0,0,0,0,0,0|1,0,0]=1 118 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [0,0,0,0,0,0|0,0,0]=0 119 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [0,0,0,0,0,0|0,0,0]=0 120 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [0,0,0,0,0,0|2,0,0]=2 121 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [0,0,0,0,0,0|2,0,0]=2 122 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [0,0,0,0,0,0|2,0,0]=2 123 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [0,0,0,0,0,0|2,0,0]=2 124 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [0,0,0,0,0,0|2,0,0]=2 125 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [0,0,0,0,0,0|2,0,0]=2 126 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [0,0,0,0,0,0|2,0,0]=2 127 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [0,0,0,0,0,0|2,0,0]=2 128 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [0,0,0,0,0,0|2,0,0]=2 129 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [0,0,0,0,0,0|1,0,0]=1 130 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [0,0,0,0,0,0|3,0,0]=3 131 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [0,0,0,0,0,0|3,0,0]=3 132 B10R1.17 COCCc1cnccn1 34a_100011349526_200000210301 [0,0,0,0,0,0|2,0,0]=2 133 B10R1.17 COCCc1cncnc1 34a_100011709255_200000210301 [0,0,0,0,0,0|4,0,0]=4 134 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [0,0,0,0,0,0|3,0,0]=3 135 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [0,0,0,0,0,0|3,0,0]=3 136 B10R1.17 COCSc1ccccn1 62a_100000766300_100011216584 [0,0,0,0,0,0|2,0,0]=2 137 B10R1.17 COCSc1ccccn1 62a_100011216584_100000766300 [0,0,0,0,0,0|2,0,0]=2 138 B10R1.17 COCSc1cccnc1 62a_100000210063_100000766300 [0,0,0,0,0,0|4,0,0]=4 139 B10R1.17 COCSc1cccnc1 62a_100000766300_100000210063 [0,0,0,0,0,0|4,0,0]=4 140 B10R1.17 COCSc1cccnn1 62a_100000766300_100016991348 [0,0,0,0,0,0|3,0,0]=3 141 B10R1.17 COCSc1cccnn1 62a_100016991348_100000766300 [0,0,0,0,0,0|3,0,0]=3 142 B10R1.17 COCSc1ccncc1 62a_100000728582_100000766300 [0,0,0,0,0,0|4,0,0]=4 143 B10R1.17 COCSc1ccncc1 62a_100000766300_100000728582 [0,0,0,0,0,0|4,0,0]=4 144 B10R1.17 COCSc1ccncn1 62a_100000703185_100000766300 [0,0,0,0,0,0|3,0,0]=3 145 B10R1.17 COCSc1ccncn1 62a_100000766300_100000703185 [0,0,0,0,0,0|3,0,0]=3 146 B10R1.17 COCSc1cnccn1 62a_100000211759_100000766300 [0,0,0,0,0,0|3,0,0]=3 147 B10R1.17 COCSc1cnccn1 62a_100000766300_100000211759 [0,0,0,0,0,0|3,0,0]=3 148 B10R1.17 COCSc1ncccn1 62a_100000211032_100000766300 [0,0,0,0,0,0|3,0,0]=3 149 B10R1.17 COCSc1ncccn1 62a_100000766300_100000211032 [0,0,0,0,0,0|3,0,0]=3 150 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [0,0,0,0,0,0|2,0,0]=2 151 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [0,0,0,0,0,0|2,0,0]=2 152 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [0,0,0,0,0,0|1,0,0]=1 153 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [0,0,0,0,0,0|1,0,0]=1 154 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [0,0,0,0,0,0|3,0,0]=3 155 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [0,0,0,0,0,0|3,0,0]=3 156 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [0,0,0,0,0,0|3,0,0]=3 157 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [0,0,0,0,0,0|3,0,0]=3 158 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [0,0,0,0,0,0|3,0,0]=3 159 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [0,0,0,0,0,0|3,0,0]=3 160 B10R1.17 CSCOc1cccnc1 34a_100000210849_100011218213 [0,0,0,0,0,0|4,0,0]=4 161 B10R1.17 CSCOc1ccncc1 34a_100000212176_100011218213 [0,0,0,0,0,0|4,0,0]=4 162 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [0,0,0,0,0,0|3,0,0]=3 163 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [0,0,0,0,0,0|3,0,0]=3 164 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [0,0,0,0,0,0|3,0,0]=3 165 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [0,0,0,0,0,0|3,0,0]=3 166 B10R1.17 CSCSc1ccccn1 62a_100011216584_100011218213 [0,0,0,0,0,0|2,0,0]=2 167 B10R1.17 CSCSc1ccccn1 62a_100011218213_100011216584 [0,0,0,0,0,0|2,0,0]=2 168 B10R1.17 CSCSc1cccnc1 62a_100000210063_100011218213 [0,0,0,0,0,0|4,0,0]=4 169 B10R1.17 CSCSc1cccnc1 62a_100011218213_100000210063 [0,0,0,0,0,0|4,0,0]=4 170 B10R1.17 CSCSc1cccnn1 62a_100011218213_100016991348 [0,0,0,0,0,0|3,0,0]=3 171 B10R1.17 CSCSc1cccnn1 62a_100016991348_100011218213 [0,0,0,0,0,0|3,0,0]=3 172 B10R1.17 CSCSc1ccncc1 62a_100000728582_100011218213 [0,0,0,0,0,0|4,0,0]=4 173 B10R1.17 CSCSc1ccncc1 62a_100011218213_100000728582 [0,0,0,0,0,0|4,0,0]=4 174 B10R1.17 CSCSc1ccncn1 62a_100000703185_100011218213 [0,0,0,0,0,0|3,0,0]=3 175 B10R1.17 CSCSc1ccncn1 62a_100011218213_100000703185 [0,0,0,0,0,0|3,0,0]=3 176 B10R1.17 CSCSc1cnccn1 62a_100000211759_100011218213 [0,0,0,0,0,0|3,0,0]=3 177 B10R1.17 CSCSc1cnccn1 62a_100011218213_100000211759 [0,0,0,0,0,0|3,0,0]=3 178 B10R1.17 CSCSc1ncccn1 62a_100000211032_100011218213 [0,0,0,0,0,0|3,0,0]=3 179 B10R1.17 CSCSc1ncccn1 62a_100011218213_100000211032 [0,0,0,0,0,0|3,0,0]=3 180 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [0,0,0,0,0,0|4,0,0]=4 181 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [0,0,0,0,0,0|4,0,0]=4 182 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [0,0,0,0,0,0|4,0,0]=4 183 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [0,0,0,0,0,0|4,0,0]=4 184 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [0,0,0,0,0,0|4,0,0]=4 185 B10R1.17 FCCSc1ccccn1 62a_100011216584_100011217306 [0,0,0,0,0,0|3,0,0]=3 186 B10R1.17 FCCSc1ccccn1 62a_100011217306_100011216584 [0,0,0,0,0,0|3,0,0]=3 187 B10R1.17 FCCSc1cccnn1 62a_100011217306_100016991348 [0,0,0,0,0,0|4,0,0]=4 188 B10R1.17 FCCSc1cccnn1 62a_100016991348_100011217306 [0,0,0,0,0,0|4,0,0]=4 189 B10R1.17 FCCSc1ccncn1 62a_100000703185_100011217306 [0,0,0,0,0,0|4,0,0]=4 190 B10R1.17 FCCSc1ccncn1 62a_100011217306_100000703185 [0,0,0,0,0,0|4,0,0]=4 191 B10R1.17 FCCSc1cnccn1 62a_100000211759_100011217306 [0,0,0,0,0,0|4,0,0]=4 192 B10R1.17 FCCSc1cnccn1 62a_100011217306_100000211759 [0,0,0,0,0,0|4,0,0]=4 193 B10R1.17 FCCSc1ncccn1 62a_100000211032_100011217306 [0,0,0,0,0,0|4,0,0]=4 194 B10R1.17 FCCSc1ncccn1 62a_100011217306_100000211032 [0,0,0,0,0,0|4,0,0]=4 195 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [0,0,0,0,0,0|4,0,0]=4 196 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [0,0,0,0,0,0|4,0,0]=4 197 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [0,0,0,0,0,0|4,0,0]=4 198 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [0,0,0,0,0,0|4,0,0]=4 199 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [0,0,0,0,0,0|4,0,0]=4 200 B10R1.17 FCSCc1ccccn1 62a_100000721315_100015361967 [0,0,0,0,0,0|3,0,0]=3 201 B10R1.17 FCSCc1ccccn1 62a_100015361967_100000721315 [0,0,0,0,0,0|3,0,0]=3 202 B10R1.17 FCSCc1cccnn1 62a_100015361967_100016990269 [0,0,0,0,0,0|4,0,0]=4 203 B10R1.17 FCSCc1cccnn1 62a_100016990269_100015361967 [0,0,0,0,0,0|4,0,0]=4 204 B10R1.17 FCSCc1cnccn1 62a_100015361967_100016995436 [0,0,0,0,0,0|4,0,0]=4 205 B10R1.17 FCSCc1cnccn1 62a_100016995436_100015361967 [0,0,0,0,0,0|4,0,0]=4 206 B10R1.17 FCSCc1ncccn1 62a_100000703007_100015361967 [0,0,0,0,0,0|4,0,0]=4 207 B10R1.17 FCSCc1ncccn1 62a_100015361967_100000703007 [0,0,0,0,0,0|4,0,0]=4 208 B10R1.17 N#CCOc1ccccc1 7a_100000210340_100011215382 [0,0,0,0,0,0|4,0,0]=4 209 B10R1.17 N#CCSc1ccccc1 62a_100000719477_100011215382 [0,0,0,0,0,0|4,0,0]=4 210 B10R1.17 N#CCSc1ccccc1 62a_100011215382_100000041952 [0,0,0,0,0,0|4,0,0]=4 211 B10R1.17 N#CCSc1ccccn1 62a_100011215382_100011216584 [0,0,0,0,0,0|3,0,0]=3 212 B10R1.17 N#CCSc1ccccn1 62a_100011216584_100011215382 [0,0,0,0,0,0|3,0,0]=3 213 B10R1.17 N#CCSc1cccnn1 62a_100011215382_100016991348 [0,0,0,0,0,0|4,0,0]=4 214 B10R1.17 N#CCSc1cccnn1 62a_100016991348_100011215382 [0,0,0,0,0,0|4,0,0]=4 215 B10R1.17 N#CCSc1ccncn1 62a_100000703185_100011215382 [0,0,0,0,0,0|4,0,0]=4 216 B10R1.17 N#CCSc1ccncn1 62a_100011215382_100000703185 [0,0,0,0,0,0|4,0,0]=4 217 B10R1.17 N#CCSc1cnccn1 62a_100000211759_100011215382 [0,0,0,0,0,0|4,0,0]=4 218 B10R1.17 N#CCSc1cnccn1 62a_100011215382_100000211759 [0,0,0,0,0,0|4,0,0]=4 219 B10R1.17 N#CCSc1ncccn1 62a_100000211032_100011215382 [0,0,0,0,0,0|4,0,0]=4 220 B10R1.17 N#CCSc1ncccn1 62a_100011215382_100000211032 [0,0,0,0,0,0|4,0,0]=4 221 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [0,0,0,0,0,0|4,0,0]=4 222 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [0,0,0,0,0,0|4,0,0]=4 223 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [0,0,0,0,0,0|4,0,0]=4 224 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [0,0,0,0,0,0|4,0,0]=4 225 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [0,0,0,0,0,0|4,0,0]=4 226 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [0,0,0,0,0,0|3,0,0]=3 227 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [0,0,0,0,0,0|3,0,0]=3 228 B10R1.17 O=CCSc1cccnn1 62a_100016991348_200015260668 [0,0,0,0,0,0|4,0,0]=4 229 B10R1.17 O=CCSc1cccnn1 62a_200015260668_100016991348 [0,0,0,0,0,0|4,0,0]=4 230 B10R1.17 O=CCSc1ccncn1 62a_100000703185_200015260668 [0,0,0,0,0,0|4,0,0]=4 231 B10R1.17 O=CCSc1ccncn1 62a_200015260668_100000703185 [0,0,0,0,0,0|4,0,0]=4 232 B10R1.17 O=CCSc1cnccn1 62a_100000211759_200015260668 [0,0,0,0,0,0|4,0,0]=4 233 B10R1.17 O=CCSc1cnccn1 62a_200015260668_100000211759 [0,0,0,0,0,0|4,0,0]=4 234 B10R1.17 O=CCSc1ncccn1 62a_100000211032_200015260668 [0,0,0,0,0,0|4,0,0]=4 235 B10R1.17 O=CCSc1ncccn1 62a_200015260668_100000211032 [0,0,0,0,0,0|4,0,0]=4 236 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [0,0,0,0,0,0|4,0,0]=4 237 B10R1.17 OCCNc1cccnn1 27a_100000210304_100016991348 [0,0,0,0,0,0|4,0,0]=4 238 B10R1.17 OCCNc1ccncn1 27a_100000210304_100000703185 [0,0,0,0,0,0|4,0,0]=4 239 B10R1.17 OCCNc1cnccn1 27a_100000210304_100000211759 [0,0,0,0,0,0|4,0,0]=4 240 B10R1.17 OCCNc1ncccn1 27a_100000210304_100000211032 [0,0,0,0,0,0|4,0,0]=4 241 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [0,0,0,0,0,0|4,0,0]=4 242 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [0,0,0,0,0,0|4,0,0]=4 243 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [0,0,0,0,0,0|4,0,0]=4 244 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [0,0,0,0,0,0|4,0,0]=4 245 B10R1.17 OCCSc1ccccn1 62a_100000211926_100011216584 [0,0,0,0,0,0|3,0,0]=3 246 B10R1.17 OCCSc1ccccn1 62a_100011216584_100000211926 [0,0,0,0,0,0|3,0,0]=3 247 B10R1.17 OCCSc1cccnn1 62a_100000211926_100016991348 [0,0,0,0,0,0|4,0,0]=4 248 B10R1.17 OCCSc1cccnn1 62a_100016991348_100000211926 [0,0,0,0,0,0|4,0,0]=4 249 B10R1.17 OCCSc1ccncn1 62a_100000211926_100000703185 [0,0,0,0,0,0|4,0,0]=4 250 B10R1.17 OCCSc1ccncn1 62a_100000703185_100000211926 [0,0,0,0,0,0|4,0,0]=4 251 B10R1.17 OCCSc1cnccn1 62a_100000211759_100000211926 [0,0,0,0,0,0|4,0,0]=4 252 B10R1.17 OCCSc1cnccn1 62a_100000211926_100000211759 [0,0,0,0,0,0|4,0,0]=4 253 B10R1.17 OCCSc1ncccn1 62a_100000211032_100000211926 [0,0,0,0,0,0|4,0,0]=4 254 B10R1.17 OCCSc1ncccn1 62a_100000211926_100000211032 [0,0,0,0,0,0|4,0,0]=4 255 B10R1.17 [13CH3]NCCC1=CCCCC1 2230a_100000212019_200025704644 [0,0,0,0,0,0|1,0,3]=4 256 B10R1.17 [13CH3]NCCC1=CCCCC1 34a_100000212019_200025704644 [0,0,0,0,0,0|1,0,3]=4 257 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [0,0,0,0,0,0|1,0,0]=1 258 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [0,0,0,0,0,0|1,0,0]=1 259 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [0,0,0,0,0,0|2,0,0]=2 260 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [0,0,0,0,0,0|2,0,0]=2 261 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [0,0,0,0,0,0|2,0,0]=2 262 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [0,0,0,0,0,0|1,0,0]=1 263 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [0,0,0,0,0,0|3,0,0]=3 264 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [0,0,0,0,0,0|3,0,0]=3 265 B10R1.17 [13CH3]OCCc1cnccn1 34a_100011349526_200025704644 [0,0,0,0,0,0|2,0,0]=2 266 B10R1.17 [13CH3]OCCc1cncnc1 34a_100011709255_200025704644 [0,0,0,0,0,0|4,0,0]=4 267 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [0,0,0,0,0,0|2,0,0]=2 268 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [0,0,0,0,0,0|2,0,0]=2 269 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [0,0,0,0,0,0|1,0,0]=1 270 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [0,0,0,0,0,0|1,0,0]=1 271 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [0,0,0,0,0,0|3,0,0]=3 272 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [0,0,0,0,0,0|3,0,0]=3 273 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [0,0,0,0,0,0|3,0,0]=3 274 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [0,0,0,0,0,0|3,0,0]=3 275 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [0,0,0,0,0,0|3,0,0]=3 276 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [0,0,0,0,0,0|3,0,0]=3 277 B9R1.8 C=C=Cc1ccccn1 271570a_100015277604_100011216584 [1,0,0,0,0,0|0,0,3]=4 278 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,0,0,0,0,0|1,0,2]=4 279 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,0,0,0,0,0|0,0,2]=3 280 B9R1.8 CC=Cc1cccnn1 271570a_100016259895_100016991348 [1,0,0,0,0,0|1,0,2]=4 281 B9R1.8 CC=Cc1ccncn1 271570a_100016259895_100000703185 [1,0,0,0,0,0|1,0,2]=4 282 B9R1.8 CC=Cc1cnccn1 271570a_100016259895_100000758340 [1,0,0,0,0,0|1,0,2]=4 283 B9R1.8 CC=Cc1ncccn1 271570a_100016259895_100000211032 [1,0,0,0,0,0|1,0,2]=4 284 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [1,0,0,0,0,0|2,0,0]=3 285 B9R1.8 CCNc1cccnn1 27a_100015525214_100016991348 [1,0,0,0,0,0|2,0,0]=3 286 B9R1.8 CCNc1ccncn1 27a_100015525214_100000703185 [1,0,0,0,0,0|2,0,0]=3 287 B9R1.8 CCNc1cnccn1 27a_100015525214_100000211759 [1,0,0,0,0,0|2,0,0]=3 288 B9R1.8 CCNc1ncccn1 27a_100015525214_100000211032 [1,0,0,0,0,0|2,0,0]=3 289 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,0,0,0,0,0|2,0,0]=3 290 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,0,0,0,0,0|2,0,0]=3 291 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [1,0,0,0,0,0|3,0,0]=4 292 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [1,0,0,0,0,0|3,0,0]=4 293 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [1,0,0,0,0,0|3,0,0]=4 294 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [1,0,0,0,0,0|2,0,0]=3 295 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [1,0,0,0,0,0|2,0,0]=3 296 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [1,0,0,0,0,0|1,0,0]=2 297 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [1,0,0,0,0,0|1,0,0]=2 298 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [1,0,0,0,0,0|3,0,0]=4 299 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [1,0,0,0,0,0|3,0,0]=4 300 B9R1.8 CCSc1cccnn1 62a_100000210202_100016991348 [1,0,0,0,0,0|2,0,0]=3 301 B9R1.8 CCSc1cccnn1 62a_100016991348_100000210202 [1,0,0,0,0,0|2,0,0]=3 302 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [1,0,0,0,0,0|3,0,0]=4 303 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [1,0,0,0,0,0|3,0,0]=4 304 B9R1.8 CCSc1ccncn1 62a_100000210202_100000703185 [1,0,0,0,0,0|2,0,0]=3 305 B9R1.8 CCSc1ccncn1 62a_100000703185_100000210202 [1,0,0,0,0,0|2,0,0]=3 306 B9R1.8 CCSc1cnccn1 62a_100000210202_100000211759 [1,0,0,0,0,0|2,0,0]=3 307 B9R1.8 CCSc1cnccn1 62a_100000211759_100000210202 [1,0,0,0,0,0|2,0,0]=3 308 B9R1.8 CCSc1ncccn1 62a_100000210202_100000211032 [1,0,0,0,0,0|2,0,0]=3 309 B9R1.8 CCSc1ncccn1 62a_100000211032_100000210202 [1,0,0,0,0,0|2,0,0]=3 310 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,0,0,0,0,0|1,0,0]=2 311 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,0,0,0,0,0|1,0,0]=2 312 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,0,0,0,0,0|1,0,0]=2 313 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,0,0,0,0,0|1,0,0]=2 314 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,0,0,0,0,0|1,0,0]=2 315 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,0,0,0,0,0|1,0,0]=2 316 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,0,0,0,0,0|1,0,0]=2 317 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [1,0,0,0,0,0|0,0,0]=1 318 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [1,0,0,0,0,0|0,0,0]=1 319 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [1,0,0,0,0,0|0,0,0]=1 320 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [1,0,0,0,0,0|0,0,0]=1 321 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [1,0,0,0,0,0|0,0,0]=1 322 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [1,0,0,0,0,0|2,0,0]=3 323 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [1,0,0,0,0,0|2,0,0]=3 324 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [1,0,0,0,0,0|2,0,0]=3 325 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [1,0,0,0,0,0|2,0,0]=3 326 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [1,0,0,0,0,0|2,0,0]=3 327 B9R1.8 CNCc1cccnn1 2230a_100159270163_200000210301 [1,0,0,0,0,0|1,0,0]=2 328 B9R1.8 CNCc1cccnn1 2230a_106832991635_100016990269 [1,0,0,0,0,0|1,0,0]=2 329 B9R1.8 CNCc1cccnn1 34a_100102657272_100016990269 [1,0,0,0,0,0|1,0,0]=2 330 B9R1.8 CNCc1cccnn1 7a_106832991635_100016990269 [1,0,0,0,0,0|1,0,0]=2 331 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [1,0,0,0,0,0|2,0,0]=3 332 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [1,0,0,0,0,0|2,0,0]=3 333 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [1,0,0,0,0,0|2,0,0]=3 334 B9R1.8 CNCc1ccnnc1 270004a_106832991635_100011934578 [1,0,0,0,0,0|3,0,0]=4 335 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [1,0,0,0,0,0|1,0,0]=2 336 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [1,0,0,0,0,0|1,0,0]=2 337 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [1,0,0,0,0,0|1,0,0]=2 338 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [1,0,0,0,0,0|1,0,0]=2 339 B9R1.8 CNCc1cncnc1 2230a_100011243677_200000210301 [1,0,0,0,0,0|3,0,0]=4 340 B9R1.8 CNCc1cncnc1 2230a_106832991635_100015196519 [1,0,0,0,0,0|3,0,0]=4 341 B9R1.8 CNCc1cncnc1 270004a_106832991635_100000749868 [1,0,0,0,0,0|3,0,0]=4 342 B9R1.8 CNCc1cncnc1 34a_100102657272_100015196519 [1,0,0,0,0,0|3,0,0]=4 343 B9R1.8 CNCc1cncnc1 7a_106832991635_100015196519 [1,0,0,0,0,0|3,0,0]=4 344 B9R1.8 CNCc1ncccn1 2230a_106832991635_100000703007 [1,0,0,0,0,0|1,0,0]=2 345 B9R1.8 CNCc1ncccn1 270004a_106832991635_100011532527 [1,0,0,0,0,0|1,0,0]=2 346 B9R1.8 CNCc1ncccn1 34a_100102657272_100000703007 [1,0,0,0,0,0|1,0,0]=2 347 B9R1.8 CNCc1ncccn1 7a_106832991635_100000703007 [1,0,0,0,0,0|1,0,0]=2 348 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,0,0,0,0,0|2,0,0]=3 349 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,0,0,0,0,0|2,0,0]=3 350 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,0,0,0,0,0|2,0,0]=3 351 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,0,0,0,0,0|1,0,0]=2 352 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [1,0,0,0,0,0|3,0,0]=4 353 B9R1.8 COCc1cccnn1 34a_100138415774_100016990269 [1,0,0,0,0,0|2,0,0]=3 354 B9R1.8 COCc1cnccn1 34a_100138415774_100016995436 [1,0,0,0,0,0|2,0,0]=3 355 B9R1.8 COCc1ncccn1 34a_100138415774_100000703007 [1,0,0,0,0,0|2,0,0]=3 356 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,0,0,0,0,0|2,0,0]=3 357 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,0,0,0,0,0|2,0,0]=3 358 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [1,0,0,0,0,0|1,0,0]=2 359 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [1,0,0,0,0,0|1,0,0]=2 360 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [1,0,0,0,0,0|3,0,0]=4 361 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [1,0,0,0,0,0|3,0,0]=4 362 B9R1.8 CSCc1cccnn1 62a_100016990269_200000210301 [1,0,0,0,0,0|2,0,0]=3 363 B9R1.8 CSCc1cccnn1 62a_200000210301_100016990269 [1,0,0,0,0,0|2,0,0]=3 364 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [1,0,0,0,0,0|3,0,0]=4 365 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [1,0,0,0,0,0|3,0,0]=4 366 B9R1.8 CSCc1cnccn1 62a_100016995436_200000210301 [1,0,0,0,0,0|2,0,0]=3 367 B9R1.8 CSCc1cnccn1 62a_200000210301_100016995436 [1,0,0,0,0,0|2,0,0]=3 368 B9R1.8 CSCc1ncccn1 62a_100000703007_200000210301 [1,0,0,0,0,0|2,0,0]=3 369 B9R1.8 CSCc1ncccn1 62a_200000210301_100000703007 [1,0,0,0,0,0|2,0,0]=3 370 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [1,0,0,0,0,0|3,0,0]=4 371 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [1,0,0,0,0,0|3,0,0]=4 372 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [1,0,0,0,0,0|3,0,0]=4 373 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [1,0,0,0,0,0|3,0,0]=4 374 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [1,0,0,0,0,0|3,0,0]=4 375 B9R1.8 FCSc1ccccn1 62a_100011216584_100015361967 [1,0,0,0,0,0|2,0,0]=3 376 B9R1.8 FCSc1ccccn1 62a_100015361967_100011216584 [1,0,0,0,0,0|2,0,0]=3 377 B9R1.8 FCSc1cccnn1 62a_100015361967_100016991348 [1,0,0,0,0,0|3,0,0]=4 378 B9R1.8 FCSc1cccnn1 62a_100016991348_100015361967 [1,0,0,0,0,0|3,0,0]=4 379 B9R1.8 FCSc1ccncn1 62a_100000703185_100015361967 [1,0,0,0,0,0|3,0,0]=4 380 B9R1.8 FCSc1ccncn1 62a_100015361967_100000703185 [1,0,0,0,0,0|3,0,0]=4 381 B9R1.8 FCSc1cnccn1 62a_100000211759_100015361967 [1,0,0,0,0,0|3,0,0]=4 382 B9R1.8 FCSc1cnccn1 62a_100015361967_100000211759 [1,0,0,0,0,0|3,0,0]=4 383 B9R1.8 FCSc1ncccn1 62a_100000211032_100015361967 [1,0,0,0,0,0|3,0,0]=4 384 B9R1.8 FCSc1ncccn1 62a_100015361967_100000211032 [1,0,0,0,0,0|3,0,0]=4 385 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,0,0,0,0,0|1,0,0]=2 386 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,0,0,0,0,0|1,0,0]=2 387 B9R1.8 [13CH3]NCc1cccnn1 2230a_100159270163_200025704644 [1,0,0,0,0,0|1,0,0]=2 388 B9R1.8 [13CH3]NCc1cncnc1 2230a_100011243677_200025704644 [1,0,0,0,0,0|3,0,0]=4 389 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,0,0,0,0,0|2,0,0]=3 390 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,0,0,0,0,0|2,0,0]=3 391 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,0,0,0,0,0|2,0,0]=3 392 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,0,0,0,0,0|2,0,0]=3 393 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [1,0,0,0,0,0|1,0,0]=2 394 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [1,0,0,0,0,0|1,0,0]=2 395 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [1,0,0,0,0,0|3,0,0]=4 396 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [1,0,0,0,0,0|3,0,0]=4 397 B9R1.8 [13CH3]SCc1cccnn1 62a_100016990269_200025704644 [1,0,0,0,0,0|2,0,0]=3 398 B9R1.8 [13CH3]SCc1cccnn1 62a_200025704644_100016990269 [1,0,0,0,0,0|2,0,0]=3 399 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [1,0,0,0,0,0|3,0,0]=4 400 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [1,0,0,0,0,0|3,0,0]=4 401 B9R1.8 [13CH3]SCc1cnccn1 62a_100016995436_200025704644 [1,0,0,0,0,0|2,0,0]=3 402 B9R1.8 [13CH3]SCc1cnccn1 62a_200025704644_100016995436 [1,0,0,0,0,0|2,0,0]=3 403 B9R1.8 [13CH3]SCc1ncccn1 62a_100000703007_200025704644 [1,0,0,0,0,0|2,0,0]=3 404 B9R1.8 [13CH3]SCc1ncccn1 62a_200025704644_100000703007 [1,0,0,0,0,0|2,0,0]=3 405 B11R1.1 C#CCNc1ccc(cn1)Br 27a_100000212058_100000686858 [0,1,0,0,0,0|2,0,1]=4 406 B11R1.1 C#CCOc1ccc(cn1)C 34a_100000759353_100000184674 [0,1,0,0,0,0|2,0,1]=4 407 B11R1.1 C#CCOc1ccc(cn1)Cl 34a_100011215309_100000184674 [0,1,0,0,0,0|2,0,1]=4 408 B11R1.1 C#CCOc1ccc(cn1)F 34a_100000742473_100000184674 [0,1,0,0,0,0|2,0,1]=4 409 B11R1.1 C#CCOc1ccc(cn1)N 34a_100000729260_100000184674 [0,1,0,0,0,0|2,0,1]=4 410 B11R1.1 C#CCSc1ccc(cn1)Br 62a_100000038162_100000686858 [0,1,0,0,0,0|2,0,1]=4 411 B11R1.1 C#CCSc1ccc(cn1)C 62a_100000038162_100000754016 [0,1,0,0,0,0|2,0,1]=4 412 B11R1.1 C#CCSc1ccc(cn1)Cl 62a_100000038162_100011356976 [0,1,0,0,0,0|2,0,1]=4 413 B11R1.1 C#CCSc1ccc(cn1)F 62a_100000038162_100000744514 [0,1,0,0,0,0|2,0,1]=4 414 B11R1.1 C#CCSc1ccc(cn1)N 62a_100000038162_100000737798 [0,1,0,0,0,0|2,0,1]=4 415 B11R1.1 C#CCSc1ccc(cn1)O 62a_100000038162_100000744096 [0,1,0,0,0,0|2,0,1]=4 416 B11R1.1 C=CCNc1ccc(cn1)Br 27a_100020586998_100000686858 [0,1,0,0,0,0|2,0,1]=4 417 B11R1.1 C=CCOc1ccc(cn1)C 34a_100000759353_100015514636 [0,1,0,0,0,0|2,0,1]=4 418 B11R1.1 C=CCOc1ccc(cn1)Cl 34a_100011215309_100015514636 [0,1,0,0,0,0|2,0,1]=4 419 B11R1.1 C=CCOc1ccc(cn1)F 34a_100000742473_100015514636 [0,1,0,0,0,0|2,0,1]=4 420 B11R1.1 C=CCOc1ccc(cn1)N 34a_100000729260_100015514636 [0,1,0,0,0,0|2,0,1]=4 421 B11R1.1 C=CCSc1ccc(cn1)Br 62a_100000210623_100000686858 [0,1,0,0,0,0|2,0,1]=4 422 B11R1.1 C=CCSc1ccc(cn1)Br 62a_100000686858_100000210623 [0,1,0,0,0,0|2,0,1]=4 423 B11R1.1 C=CCSc1ccc(cn1)C 62a_100000210623_100000754016 [0,1,0,0,0,0|2,0,1]=4 424 B11R1.1 C=CCSc1ccc(cn1)C 62a_100011192072_100000210623 [0,1,0,0,0,0|2,0,1]=4 425 B11R1.1 C=CCSc1ccc(cn1)Cl 62a_100000210623_100011356976 [0,1,0,0,0,0|2,0,1]=4 426 B11R1.1 C=CCSc1ccc(cn1)Cl 62a_100011356976_100000210623 [0,1,0,0,0,0|2,0,1]=4 427 B11R1.1 C=CCSc1ccc(cn1)F 62a_100000210623_100000744514 [0,1,0,0,0,0|2,0,1]=4 428 B11R1.1 C=CCSc1ccc(cn1)F 62a_100000744514_100000210623 [0,1,0,0,0,0|2,0,1]=4 429 B11R1.1 C=CCSc1ccc(cn1)N 62a_100000210623_100000737798 [0,1,0,0,0,0|2,0,1]=4 430 B11R1.1 C=CCSc1ccc(cn1)N 62a_100000737798_100000210623 [0,1,0,0,0,0|2,0,1]=4 431 B11R1.1 C=CCSc1ccc(cn1)O 62a_100000210623_100000744096 [0,1,0,0,0,0|2,0,1]=4 432 B11R1.1 C=CCSc1ccc(cn1)O 62a_100000685995_100000210623 [0,1,0,0,0,0|2,0,1]=4 433 B11R1.1 CC=NNc1ccc(cn1)Br 4a_100000750576_200000210099 [0,1,0,0,0,0|3,0,0]=4 434 B11R1.1 CC=NNc1ccc(cn1)C 4a_100000746693_200000210099 [0,1,0,0,0,0|3,0,0]=4 435 B11R1.1 CC=NNc1ccc(cn1)Cl 4a_100011206499_200000210099 [0,1,0,0,0,0|3,0,0]=4 436 B11R1.1 CC=NNc1ccc(cn1)F 4a_100000753838_200000210099 [0,1,0,0,0,0|3,0,0]=4 437 B11R1.1 CC=NNc1ccc(cn1)I 4a_100010221006_200000210099 [0,1,0,0,0,0|3,0,0]=4 438 B11R1.1 CCCCc1cc[n+](cc1)[O-] 271570a_100020621405_100000039755 [0,1,0,0,0,0|3,0,0]=4 439 B11R1.1 CCCCc1ccc(=O)[nH]c1 271570a_100020621405_100000212171 [0,1,0,0,0,0|3,0,0]=4 440 B11R1.1 CCCCc1ccc(=O)[nH]n1 271570a_100020621405_100009820020 [0,1,0,0,0,0|2,0,0]=3 441 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [0,1,0,0,0,0|2,0,0]=3 442 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [0,1,0,0,0,0|2,0,0]=3 443 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [0,1,0,0,0,0|2,0,0]=3 444 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [0,1,0,0,0,0|2,0,0]=3 445 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [0,1,0,0,0,0|2,0,0]=3 446 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [0,1,0,0,0,0|2,0,0]=3 447 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [0,1,0,0,0,0|2,0,0]=3 448 B11R1.1 CCCCc1ccc(cn1)Br 271570a_100020621405_100000686858 [0,1,0,0,0,0|1,0,0]=2 449 B11R1.1 CCCCc1ccc(cn1)C 271570a_100020621405_100000754016 [0,1,0,0,0,0|1,0,0]=2 450 B11R1.1 CCCCc1ccc(cn1)Cl 271570a_100020621405_100011356976 [0,1,0,0,0,0|1,0,0]=2 451 B11R1.1 CCCCc1ccc(cn1)F 271570a_100020621405_100000744514 [0,1,0,0,0,0|1,0,0]=2 452 B11R1.1 CCCCc1ccc(cn1)N 271570a_100020621405_100000744251 [0,1,0,0,0,0|1,0,0]=2 453 B11R1.1 CCCCc1ccc(cn1)O 271570a_100020621405_100000685995 [0,1,0,0,0,0|1,0,0]=2 454 B11R1.1 CCCCc1ccc(nc1)Br 271570a_100020621405_100009814638 [0,1,0,0,0,0|3,0,0]=4 455 B11R1.1 CCCCc1ccc(nc1)C 271570a_100020621405_100000751577 [0,1,0,0,0,0|3,0,0]=4 456 B11R1.1 CCCCc1ccc(nc1)Cl 271570a_100020621405_100000034144 [0,1,0,0,0,0|3,0,0]=4 457 B11R1.1 CCCCc1ccc(nc1)F 271570a_100020621405_100000748661 [0,1,0,0,0,0|3,0,0]=4 458 B11R1.1 CCCCc1ccc(nc1)N 271570a_100020621405_100000187370 [0,1,0,0,0,0|3,0,0]=4 459 B11R1.1 CCCCc1ccc(nn1)C 271570a_100020621405_100011450037 [0,1,0,0,0,0|2,0,0]=3 460 B11R1.1 CCCCc1ccc(nn1)N 271570a_100020621405_100009816609 [0,1,0,0,0,0|2,0,0]=3 461 B11R1.1 CCCCc1cnc(cn1)C 271570a_100020621405_100011999403 [0,1,0,0,0,0|2,0,0]=3 462 B11R1.1 CCCCc1cnc(cn1)F 271570a_100020621405_100009856528 [0,1,0,0,0,0|2,0,0]=3 463 B11R1.1 CCCCc1cnc(cn1)N 271570a_100020621405_100000761932 [0,1,0,0,0,0|2,0,0]=3 464 B11R1.1 CCCCc1cnc(nn1)N 271570a_100020621405_100000691435 [0,1,0,0,0,0|3,0,0]=4 465 B11R1.1 CCCCc1ncc(cn1)Br 271570a_100020621405_100000690281 [0,1,0,0,0,0|2,0,0]=3 466 B11R1.1 CCCCc1ncc(cn1)C 271570a_100020621405_100011825175 [0,1,0,0,0,0|2,0,0]=3 467 B11R1.1 CCCCc1ncc(cn1)Cl 271570a_100020621405_100011356929 [0,1,0,0,0,0|2,0,0]=3 468 B11R1.1 CCCCc1ncc(cn1)F 271570a_100020621405_100000685220 [0,1,0,0,0,0|2,0,0]=3 469 B11R1.1 CCCCc1ncc(cn1)N 271570a_100020621405_100000068403 [0,1,0,0,0,0|2,0,0]=3 470 B11R1.1 CCCCc1ncc(cn1)O 271570a_100020621405_100000730009 [0,1,0,0,0,0|2,0,0]=3 471 B11R1.1 CCCNc1ccc(cc1)Br 2230a_100000210018_100000210303 [0,1,0,0,0,0|3,0,0]=4 472 B11R1.1 CCCNc1ccc(cc1)Br 34a_100000210018_100000210303 [0,1,0,0,0,0|3,0,0]=4 473 B11R1.1 CCCNc1ccc(cc1)C 34a_100000124888_100000210303 [0,1,0,0,0,0|3,0,0]=4 474 B11R1.1 CCCNc1ccc(cc1)Cl 2230a_100000210052_100000210303 [0,1,0,0,0,0|3,0,0]=4 475 B11R1.1 CCCNc1ccc(cc1)Cl 34a_100000210052_100000210303 [0,1,0,0,0,0|3,0,0]=4 476 B11R1.1 CCCNc1ccc(cc1)F 34a_100000185862_100000210303 [0,1,0,0,0,0|3,0,0]=4 477 B11R1.1 CCCNc1ccc(cc1)I 34a_100000185761_100000210303 [0,1,0,0,0,0|3,0,0]=4 478 B11R1.1 CCCNc1ccc(cc1)O 34a_100000185829_100000210303 [0,1,0,0,0,0|3,0,0]=4 479 B11R1.1 CCCNc1ccc(nn1)O 271570a_203496583355_100000215239 [0,1,0,0,0,0|3,0,0]=4 480 B11R1.1 CCCNc1ncc(cn1)O 271570a_203496583355_200011938755 [0,1,0,0,0,0|3,0,0]=4 481 B11R1.1 CCCOc1ccc(cc1)Br 34a_100000185759_100000210303 [0,1,0,0,0,0|3,0,0]=4 482 B11R1.1 CCCOc1ccc(cc1)Br 7a_100000185759_100000210303 [0,1,0,0,0,0|3,0,0]=4 483 B11R1.1 CCCOc1ccc(cc1)C 34a_100000210336_100000210303 [0,1,0,0,0,0|3,0,0]=4 484 B11R1.1 CCCOc1ccc(cc1)C 7a_100000210336_100000210303 [0,1,0,0,0,0|3,0,0]=4 485 B11R1.1 CCCOc1ccc(cc1)Cl 34a_100000210216_100000210303 [0,1,0,0,0,0|3,0,0]=4 486 B11R1.1 CCCOc1ccc(cc1)Cl 7a_100000210216_100000210303 [0,1,0,0,0,0|3,0,0]=4 487 B11R1.1 CCCOc1ccc(cc1)F 34a_100000210339_100000210303 [0,1,0,0,0,0|3,0,0]=4 488 B11R1.1 CCCOc1ccc(cc1)I 34a_100000212066_100000210303 [0,1,0,0,0,0|3,0,0]=4 489 B11R1.1 CCCOc1ccc(cc1)I 7a_100000212066_100000210303 [0,1,0,0,0,0|3,0,0]=4 490 B11R1.1 CCCOc1ccc(cc1)N 34a_100000185829_100000210303 [0,1,0,0,0,0|3,0,0]=4 491 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [0,1,0,0,0,0|3,0,0]=4 492 B11R1.1 CCCOc1ccc(cn1)C 34a_100000759353_100000210303 [0,1,0,0,0,0|2,0,0]=3 493 B11R1.1 CCCOc1ccc(cn1)Cl 34a_100011215309_100000210303 [0,1,0,0,0,0|2,0,0]=3 494 B11R1.1 CCCOc1ccc(cn1)F 34a_100000742473_100000210303 [0,1,0,0,0,0|2,0,0]=3 495 B11R1.1 CCCOc1ccc(cn1)N 34a_100000729260_100000210303 [0,1,0,0,0,0|2,0,0]=3 496 B11R1.1 CCCOc1ccc(cn1)O 271570a_203496583355_100011465619 [0,1,0,0,0,0|2,0,0]=3 497 B11R1.1 CCCOc1ccc(nn1)O 271570a_203496583355_200011279913 [0,1,0,0,0,0|3,0,0]=4 498 B11R1.1 CCCOc1cnc(cn1)Br 34a_100011934580_100000210303 [0,1,0,0,0,0|3,0,0]=4 499 B11R1.1 CCCOc1cnc(cn1)Cl 34a_100015839800_100000210303 [0,1,0,0,0,0|3,0,0]=4 500 B11R1.1 CCCOc1ncc(cn1)F 34a_100011934040_100000210303 [0,1,0,0,0,0|3,0,0]=4 501 B11R1.1 CCCSc1ccc(=O)[nH]n1 62a_100000210303_100009820020 [0,1,0,0,0,0|3,0,0]=4 502 B11R1.1 CCCSc1ccc(=O)[nH]n1 62a_100009820020_100000210303 [0,1,0,0,0,0|3,0,0]=4 503 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000210303_100000752885 [0,1,0,0,0,0|3,0,0]=4 504 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000752885_100000210303 [0,1,0,0,0,0|3,0,0]=4 505 B11R1.1 CCCSc1ccc(cc1)C 62a_100000186775_100000210303 [0,1,0,0,0,0|3,0,0]=4 506 B11R1.1 CCCSc1ccc(cc1)C 62a_100000210303_100000186775 [0,1,0,0,0,0|3,0,0]=4 507 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000210303_100000755918 [0,1,0,0,0,0|3,0,0]=4 508 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000755918_100000210303 [0,1,0,0,0,0|3,0,0]=4 509 B11R1.1 CCCSc1ccc(cc1)F 62a_100000210303_100000211213 [0,1,0,0,0,0|3,0,0]=4 510 B11R1.1 CCCSc1ccc(cc1)F 62a_100000211213_100000210303 [0,1,0,0,0,0|3,0,0]=4 511 B11R1.1 CCCSc1ccc(cc1)N 62a_100000185761_100000210303 [0,1,0,0,0,0|3,0,0]=4 512 B11R1.1 CCCSc1ccc(cc1)N 62a_100000210303_100000185761 [0,1,0,0,0,0|3,0,0]=4 513 B11R1.1 CCCSc1ccc(cc1)O 271570a_203496583355_200009811899 [0,1,0,0,0,0|3,0,0]=4 514 B11R1.1 CCCSc1ccc(cc1)O 62a_100000210303_100000185759 [0,1,0,0,0,0|3,0,0]=4 515 B11R1.1 CCCSc1ccc(cn1)Br 62a_100000210303_100000686858 [0,1,0,0,0,0|2,0,0]=3 516 B11R1.1 CCCSc1ccc(cn1)Br 62a_100000686858_100000210303 [0,1,0,0,0,0|2,0,0]=3 517 B11R1.1 CCCSc1ccc(cn1)C 62a_100000210303_100000754016 [0,1,0,0,0,0|2,0,0]=3 518 B11R1.1 CCCSc1ccc(cn1)C 62a_100011192072_100000210303 [0,1,0,0,0,0|2,0,0]=3 519 B11R1.1 CCCSc1ccc(cn1)Cl 62a_100000210303_100011356976 [0,1,0,0,0,0|2,0,0]=3 520 B11R1.1 CCCSc1ccc(cn1)Cl 62a_100011356976_100000210303 [0,1,0,0,0,0|2,0,0]=3 521 B11R1.1 CCCSc1ccc(cn1)F 62a_100000210303_100000744514 [0,1,0,0,0,0|2,0,0]=3 522 B11R1.1 CCCSc1ccc(cn1)F 62a_100000744514_100000210303 [0,1,0,0,0,0|2,0,0]=3 523 B11R1.1 CCCSc1ccc(cn1)N 62a_100000210303_100000737798 [0,1,0,0,0,0|2,0,0]=3 524 B11R1.1 CCCSc1ccc(cn1)N 62a_100000737798_100000210303 [0,1,0,0,0,0|2,0,0]=3 525 B11R1.1 CCCSc1ccc(cn1)O 62a_100000210303_100000744096 [0,1,0,0,0,0|2,0,0]=3 526 B11R1.1 CCCSc1ccc(cn1)O 62a_100000685995_100000210303 [0,1,0,0,0,0|2,0,0]=3 527 B11R1.1 CCCSc1ccc(nn1)C 62a_100000210303_100000744512 [0,1,0,0,0,0|3,0,0]=4 528 B11R1.1 CCCSc1ccc(nn1)C 62a_100000744512_100000210303 [0,1,0,0,0,0|3,0,0]=4 529 B11R1.1 CCCSc1ccc(nn1)Cl 62a_100000068654_100000210303 [0,1,0,0,0,0|3,0,0]=4 530 B11R1.1 CCCSc1ccc(nn1)Cl 62a_100000210303_100000068654 [0,1,0,0,0,0|3,0,0]=4 531 B11R1.1 CCCSc1ccc(nn1)N 62a_100000210303_100010219413 [0,1,0,0,0,0|3,0,0]=4 532 B11R1.1 CCCSc1ccc(nn1)N 62a_100010219413_100000210303 [0,1,0,0,0,0|3,0,0]=4 533 B11R1.1 CCCSc1cnc(cn1)Br 62a_100000210303_100010187541 [0,1,0,0,0,0|3,0,0]=4 534 B11R1.1 CCCSc1cnc(cn1)Br 62a_100010187541_100000210303 [0,1,0,0,0,0|3,0,0]=4 535 B11R1.1 CCCSc1cnc(cn1)C 62a_100000210303_100011999403 [0,1,0,0,0,0|3,0,0]=4 536 B11R1.1 CCCSc1cnc(cn1)C 62a_100011999403_100000210303 [0,1,0,0,0,0|3,0,0]=4 537 B11R1.1 CCCSc1cnc(cn1)Cl 62a_100000210303_100010214907 [0,1,0,0,0,0|3,0,0]=4 538 B11R1.1 CCCSc1cnc(cn1)Cl 62a_100010214907_100000210303 [0,1,0,0,0,0|3,0,0]=4 539 B11R1.1 CCCSc1cnc(cn1)F 62a_100000210303_100009856528 [0,1,0,0,0,0|3,0,0]=4 540 B11R1.1 CCCSc1cnc(cn1)F 62a_100009856528_100000210303 [0,1,0,0,0,0|3,0,0]=4 541 B11R1.1 CCCSc1cnc(cn1)N 62a_100000210303_100000744751 [0,1,0,0,0,0|3,0,0]=4 542 B11R1.1 CCCSc1cnc(cn1)N 62a_100000744751_100000210303 [0,1,0,0,0,0|3,0,0]=4 543 B11R1.1 CCCSc1cnc(cn1)O 62a_100000210303_100015839800 [0,1,0,0,0,0|3,0,0]=4 544 B11R1.1 CCCSc1cnc(cn1)O 62a_100011934580_100000210303 [0,1,0,0,0,0|3,0,0]=4 545 B11R1.1 CCCSc1ncc(cn1)Br 62a_100000210303_100000690281 [0,1,0,0,0,0|3,0,0]=4 546 B11R1.1 CCCSc1ncc(cn1)Br 62a_100000690281_100000210303 [0,1,0,0,0,0|3,0,0]=4 547 B11R1.1 CCCSc1ncc(cn1)C 62a_100000061069_100000210303 [0,1,0,0,0,0|3,0,0]=4 548 B11R1.1 CCCSc1ncc(cn1)C 62a_100000210303_100000061069 [0,1,0,0,0,0|3,0,0]=4 549 B11R1.1 CCCSc1ncc(cn1)Cl 62a_100000210303_100011356929 [0,1,0,0,0,0|3,0,0]=4 550 B11R1.1 CCCSc1ncc(cn1)Cl 62a_100011356929_100000210303 [0,1,0,0,0,0|3,0,0]=4 551 B11R1.1 CCCSc1ncc(cn1)F 62a_100000210303_100000685220 [0,1,0,0,0,0|3,0,0]=4 552 B11R1.1 CCCSc1ncc(cn1)F 62a_100000685220_100000210303 [0,1,0,0,0,0|3,0,0]=4 553 B11R1.1 CCCSc1ncc(cn1)N 62a_100000068403_100000210303 [0,1,0,0,0,0|3,0,0]=4 554 B11R1.1 CCCSc1ncc(cn1)N 62a_100000210303_100000068403 [0,1,0,0,0,0|3,0,0]=4 555 B11R1.1 CCCSc1ncc(cn1)O 271570a_203496583355_200011939516 [0,1,0,0,0,0|3,0,0]=4 556 B11R1.1 CCCSc1ncc(cn1)O 62a_100000210303_100000092845 [0,1,0,0,0,0|3,0,0]=4 557 B11R1.1 CCCSc1ncc(cn1)O 62a_100000730009_100000210303 [0,1,0,0,0,0|3,0,0]=4 558 B11R1.1 CCNCc1ccc(=O)[nH]n1 207a_100015525214_100011361533 [0,1,0,0,0,0|3,0,0]=4 559 B11R1.1 CCNCc1ccc(=O)[nH]n1 270004a_100015525214_100011361533 [0,1,0,0,0,0|3,0,0]=4 560 B11R1.1 CCNCc1ccc(cc1)Br 207a_100015525214_100000186029 [0,1,0,0,0,0|3,0,0]=4 561 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100000174875_100000210202 [0,1,0,0,0,0|3,0,0]=4 562 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100015525214_100011217064 [0,1,0,0,0,0|3,0,0]=4 563 B11R1.1 CCNCc1ccc(cc1)Br 270004a_100015525214_100000186029 [0,1,0,0,0,0|3,0,0]=4 564 B11R1.1 CCNCc1ccc(cc1)Br 34a_100000174875_100000210202 [0,1,0,0,0,0|3,0,0]=4 565 B11R1.1 CCNCc1ccc(cc1)C 207a_100015525214_100000211033 [0,1,0,0,0,0|3,0,0]=4 566 B11R1.1 CCNCc1ccc(cc1)C 2230a_100000174908_100000210202 [0,1,0,0,0,0|3,0,0]=4 567 B11R1.1 CCNCc1ccc(cc1)C 2230a_100015525214_100000210814 [0,1,0,0,0,0|3,0,0]=4 568 B11R1.1 CCNCc1ccc(cc1)C 270004a_100015525214_100000211033 [0,1,0,0,0,0|3,0,0]=4 569 B11R1.1 CCNCc1ccc(cc1)C 34a_100000174908_100000210202 [0,1,0,0,0,0|3,0,0]=4 570 B11R1.1 CCNCc1ccc(cc1)Cl 207a_100015525214_100000189385 [0,1,0,0,0,0|3,0,0]=4 571 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210202 [0,1,0,0,0,0|3,0,0]=4 572 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100015525214_100000694040 [0,1,0,0,0,0|3,0,0]=4 573 B11R1.1 CCNCc1ccc(cc1)Cl 270004a_100015525214_100000189385 [0,1,0,0,0,0|3,0,0]=4 574 B11R1.1 CCNCc1ccc(cc1)Cl 34a_100000174871_100000210202 [0,1,0,0,0,0|3,0,0]=4 575 B11R1.1 CCNCc1ccc(cc1)F 207a_100015525214_100000210084 [0,1,0,0,0,0|3,0,0]=4 576 B11R1.1 CCNCc1ccc(cc1)F 2230a_100000174882_100000210202 [0,1,0,0,0,0|3,0,0]=4 577 B11R1.1 CCNCc1ccc(cc1)F 2230a_100015525214_100000198546 [0,1,0,0,0,0|3,0,0]=4 578 B11R1.1 CCNCc1ccc(cc1)F 270004a_100015525214_100000210084 [0,1,0,0,0,0|3,0,0]=4 579 B11R1.1 CCNCc1ccc(cc1)F 34a_100000174882_100000210202 [0,1,0,0,0,0|3,0,0]=4 580 B11R1.1 CCNCc1ccc(cc1)I 207a_100015525214_100000188517 [0,1,0,0,0,0|3,0,0]=4 581 B11R1.1 CCNCc1ccc(cc1)I 2230a_100015525214_100000189116 [0,1,0,0,0,0|3,0,0]=4 582 B11R1.1 CCNCc1ccc(cc1)I 2230a_100016989417_100000210202 [0,1,0,0,0,0|3,0,0]=4 583 B11R1.1 CCNCc1ccc(cc1)I 34a_100016989417_100000210202 [0,1,0,0,0,0|3,0,0]=4 584 B11R1.1 CCNCc1ccc(cc1)O 271570a_203496583355_100000187385 [0,1,0,0,0,0|3,0,0]=4 585 B11R1.1 CCNCc1ccc(cc1)O 34a_100000185549_100000210202 [0,1,0,0,0,0|3,0,0]=4 586 B11R1.1 CCNCc1ccc(cn1)Br 207a_100015525214_100000754260 [0,1,0,0,0,0|2,0,0]=3 587 B11R1.1 CCNCc1ccc(cn1)Br 2230a_100015525214_100000702658 [0,1,0,0,0,0|2,0,0]=3 588 B11R1.1 CCNCc1ccc(cn1)Br 270004a_100015525214_100000754260 [0,1,0,0,0,0|2,0,0]=3 589 B11R1.1 CCNCc1ccc(cn1)Br 34a_100015188789_100000210202 [0,1,0,0,0,0|2,0,0]=3 590 B11R1.1 CCNCc1ccc(cn1)C 207a_100015525214_100000050478 [0,1,0,0,0,0|2,0,0]=3 591 B11R1.1 CCNCc1ccc(cn1)C 2230a_100015525214_100000691093 [0,1,0,0,0,0|2,0,0]=3 592 B11R1.1 CCNCc1ccc(cn1)C 270004a_100015525214_100000050478 [0,1,0,0,0,0|2,0,0]=3 593 B11R1.1 CCNCc1ccc(cn1)C 34a_100015187455_100000210202 [0,1,0,0,0,0|2,0,0]=3 594 B11R1.1 CCNCc1ccc(cn1)Cl 207a_100015525214_100011361569 [0,1,0,0,0,0|2,0,0]=3 595 B11R1.1 CCNCc1ccc(cn1)Cl 2230a_100015525214_100012066911 [0,1,0,0,0,0|2,0,0]=3 596 B11R1.1 CCNCc1ccc(cn1)Cl 270004a_100015525214_100011361569 [0,1,0,0,0,0|2,0,0]=3 597 B11R1.1 CCNCc1ccc(cn1)Cl 34a_100000697193_100000210202 [0,1,0,0,0,0|2,0,0]=3 598 B11R1.1 CCNCc1ccc(cn1)F 207a_100015525214_100011934744 [0,1,0,0,0,0|2,0,0]=3 599 B11R1.1 CCNCc1ccc(cn1)F 2230a_100015525214_100000703193 [0,1,0,0,0,0|2,0,0]=3 600 B11R1.1 CCNCc1ccc(cn1)F 270004a_100015525214_100011934744 [0,1,0,0,0,0|2,0,0]=3 601 B11R1.1 CCNCc1ccc(cn1)F 34a_100020620131_100000210202 [0,1,0,0,0,0|2,0,0]=3 602 B11R1.1 CCNCc1ccc(nn1)Cl 2230a_100015525214_100016992710 [0,1,0,0,0,0|3,0,0]=4 603 B11R1.1 CCNCc1ccc(nn1)Cl 270004a_100015525214_100000044651 [0,1,0,0,0,0|3,0,0]=4 604 B11R1.1 CCNCc1cnc(cn1)C 2230a_100015525214_100000752025 [0,1,0,0,0,0|3,0,0]=4 605 B11R1.1 CCNCc1cnc(cn1)C 270004a_100015525214_100000685221 [0,1,0,0,0,0|3,0,0]=4 606 B11R1.1 CCNCc1cnc(cn1)C 34a_100132314150_100000210202 [0,1,0,0,0,0|3,0,0]=4 607 B11R1.1 CCNCc1cnc(cn1)Cl 270004a_100015525214_100012001714 [0,1,0,0,0,0|3,0,0]=4 608 B11R1.1 CCNCc1ncc(cn1)C 2230a_100015525214_100000685645 [0,1,0,0,0,0|3,0,0]=4 609 B11R1.1 CCOCc1ccc(cc1)Br 34a_100000695286_100000210202 [0,1,0,0,0,0|3,0,0]=4 610 B11R1.1 CCOCc1ccc(cc1)Br 34a_100121572206_100000189115 [0,1,0,0,0,0|3,0,0]=4 611 B11R1.1 CCOCc1ccc(cc1)C 34a_100011215236_100000210202 [0,1,0,0,0,0|3,0,0]=4 612 B11R1.1 CCOCc1ccc(cc1)C 34a_100121572206_100000210814 [0,1,0,0,0,0|3,0,0]=4 613 B11R1.1 CCOCc1ccc(cc1)C 7a_100011215236_100000210202 [0,1,0,0,0,0|3,0,0]=4 614 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100000211118_100000210202 [0,1,0,0,0,0|3,0,0]=4 615 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100121572206_100000694040 [0,1,0,0,0,0|3,0,0]=4 616 B11R1.1 CCOCc1ccc(cc1)Cl 7a_100000211118_100000210202 [0,1,0,0,0,0|3,0,0]=4 617 B11R1.1 CCOCc1ccc(cc1)F 34a_100000210977_100000210202 [0,1,0,0,0,0|3,0,0]=4 618 B11R1.1 CCOCc1ccc(cc1)F 34a_100121572206_100000198546 [0,1,0,0,0,0|3,0,0]=4 619 B11R1.1 CCOCc1ccc(cc1)F 7a_100000210977_100000210202 [0,1,0,0,0,0|3,0,0]=4 620 B11R1.1 CCOCc1ccc(cc1)I 34a_100000690907_100000210202 [0,1,0,0,0,0|3,0,0]=4 621 B11R1.1 CCOCc1ccc(cc1)I 34a_100121572206_100000189116 [0,1,0,0,0,0|3,0,0]=4 622 B11R1.1 CCOCc1ccc(cc1)I 7a_100000690907_100000210202 [0,1,0,0,0,0|3,0,0]=4 623 B11R1.1 CCOCc1ccc(cc1)N 34a_100011215238_100000210202 [0,1,0,0,0,0|3,0,0]=4 624 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [0,1,0,0,0,0|3,0,0]=4 625 B11R1.1 CCOCc1ccc(cn1)Br 34a_100000754261_100000210202 [0,1,0,0,0,0|2,0,0]=3 626 B11R1.1 CCOCc1ccc(cn1)Br 34a_100121572206_100000702658 [0,1,0,0,0,0|2,0,0]=3 627 B11R1.1 CCOCc1ccc(cn1)C 34a_100012001401_100000210202 [0,1,0,0,0,0|2,0,0]=3 628 B11R1.1 CCOCc1ccc(cn1)C 34a_100121572206_100000691093 [0,1,0,0,0,0|2,0,0]=3 629 B11R1.1 CCOCc1ccc(cn1)Cl 34a_100000703999_100000210202 [0,1,0,0,0,0|2,0,0]=3 630 B11R1.1 CCOCc1ccc(cn1)Cl 34a_100121572206_100012066911 [0,1,0,0,0,0|2,0,0]=3 631 B11R1.1 CCOCc1ccc(cn1)F 34a_100011999454_100000210202 [0,1,0,0,0,0|2,0,0]=3 632 B11R1.1 CCOCc1ccc(cn1)F 34a_100121572206_100000703193 [0,1,0,0,0,0|2,0,0]=3 633 B11R1.1 CCOCc1ccc(cn1)N 34a_100011998161_100000210202 [0,1,0,0,0,0|2,0,0]=3 634 B11R1.1 CCOCc1ccc(nn1)Cl 34a_100121572206_100016992710 [0,1,0,0,0,0|3,0,0]=4 635 B11R1.1 CCOCc1cnc(cn1)C 34a_100011273949_100000210202 [0,1,0,0,0,0|3,0,0]=4 636 B11R1.1 CCOCc1cnc(cn1)Cl 34a_100012002382_100000210202 [0,1,0,0,0,0|3,0,0]=4 637 B11R1.1 CCOCc1ncc(cn1)Br 34a_100121572206_100010064664 [0,1,0,0,0,0|3,0,0]=4 638 B11R1.1 CCOCc1ncc(cn1)C 34a_100121572206_100000685645 [0,1,0,0,0,0|3,0,0]=4 639 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000189115_100000210202 [0,1,0,0,0,0|3,0,0]=4 640 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000210202_100000189115 [0,1,0,0,0,0|3,0,0]=4 641 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210202_100000210814 [0,1,0,0,0,0|3,0,0]=4 642 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210814_100000210202 [0,1,0,0,0,0|3,0,0]=4 643 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000187161_100000210202 [0,1,0,0,0,0|3,0,0]=4 644 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000210202_100000187161 [0,1,0,0,0,0|3,0,0]=4 645 B11R1.1 CCSCc1ccc(cc1)F 62a_100000198546_100000210202 [0,1,0,0,0,0|3,0,0]=4 646 B11R1.1 CCSCc1ccc(cc1)F 62a_100000210202_100000187164 [0,1,0,0,0,0|3,0,0]=4 647 B11R1.1 CCSCc1ccc(cc1)I 62a_100000189116_100000210202 [0,1,0,0,0,0|3,0,0]=4 648 B11R1.1 CCSCc1ccc(cc1)I 62a_100000210202_100000189116 [0,1,0,0,0,0|3,0,0]=4 649 B11R1.1 CCSCc1ccc(cn1)Br 62a_100000210202_100000702658 [0,1,0,0,0,0|2,0,0]=3 650 B11R1.1 CCSCc1ccc(cn1)Br 62a_100000702658_100000210202 [0,1,0,0,0,0|2,0,0]=3 651 B11R1.1 CCSCc1ccc(cn1)C 62a_100000210202_100000691093 [0,1,0,0,0,0|2,0,0]=3 652 B11R1.1 CCSCc1ccc(cn1)C 62a_100000691093_100000210202 [0,1,0,0,0,0|2,0,0]=3 653 B11R1.1 CCSCc1ccc(cn1)Cl 62a_100000210202_100000697101 [0,1,0,0,0,0|2,0,0]=3 654 B11R1.1 CCSCc1ccc(cn1)Cl 62a_100012066911_100000210202 [0,1,0,0,0,0|2,0,0]=3 655 B11R1.1 CCSCc1ccc(cn1)F 62a_100000210202_100000703193 [0,1,0,0,0,0|2,0,0]=3 656 B11R1.1 CCSCc1ccc(cn1)F 62a_100000703193_100000210202 [0,1,0,0,0,0|2,0,0]=3 657 B11R1.1 CCSCc1ccc(nn1)Cl 62a_100000210202_100016992710 [0,1,0,0,0,0|3,0,0]=4 658 B11R1.1 CCSCc1ccc(nn1)Cl 62a_100016992710_100000210202 [0,1,0,0,0,0|3,0,0]=4 659 B11R1.1 CCSCc1cnc(cn1)C 62a_100000210202_100000752025 [0,1,0,0,0,0|3,0,0]=4 660 B11R1.1 CCSCc1cnc(cn1)C 62a_100000752025_100000210202 [0,1,0,0,0,0|3,0,0]=4 661 B11R1.1 CCSCc1ncc(cn1)Br 62a_100000210202_100010064664 [0,1,0,0,0,0|3,0,0]=4 662 B11R1.1 CCSCc1ncc(cn1)Br 62a_100010064664_100000210202 [0,1,0,0,0,0|3,0,0]=4 663 B11R1.1 CCSCc1ncc(cn1)C 62a_100000210202_100000685645 [0,1,0,0,0,0|3,0,0]=4 664 B11R1.1 CCSCc1ncc(cn1)C 62a_100000685645_100000210202 [0,1,0,0,0,0|3,0,0]=4 665 B11R1.1 CNCCc1ccc(cc1)Br 2230a_100000755846_200000210301 [0,1,0,0,0,0|1,0,0]=2 666 B11R1.1 CNCCc1ccc(cc1)Br 2230a_106832991635_100011740612 [0,1,0,0,0,0|1,0,0]=2 667 B11R1.1 CNCCc1ccc(cc1)Br 34a_100000755846_200000210301 [0,1,0,0,0,0|1,0,0]=2 668 B11R1.1 CNCCc1ccc(cc1)Br 34a_100102657272_100011740612 [0,1,0,0,0,0|1,0,0]=2 669 B11R1.1 CNCCc1ccc(cc1)Br 7a_106832991635_100011740612 [0,1,0,0,0,0|1,0,0]=2 670 B11R1.1 CNCCc1ccc(cc1)C 2230a_100000705350_200000210301 [0,1,0,0,0,0|1,0,0]=2 671 B11R1.1 CNCCc1ccc(cc1)C 2230a_106832991635_100011713686 [0,1,0,0,0,0|1,0,0]=2 672 B11R1.1 CNCCc1ccc(cc1)C 34a_100000705350_200000210301 [0,1,0,0,0,0|1,0,0]=2 673 B11R1.1 CNCCc1ccc(cc1)C 34a_100102657272_100011713686 [0,1,0,0,0,0|1,0,0]=2 674 B11R1.1 CNCCc1ccc(cc1)C 7a_106832991635_100011713686 [0,1,0,0,0,0|1,0,0]=2 675 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_100000185265_200000210301 [0,1,0,0,0,0|1,0,0]=2 676 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_106832991635_100011713675 [0,1,0,0,0,0|1,0,0]=2 677 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100000185265_200000210301 [0,1,0,0,0,0|1,0,0]=2 678 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100102657272_100011713675 [0,1,0,0,0,0|1,0,0]=2 679 B11R1.1 CNCCc1ccc(cc1)Cl 7a_106832991635_100011713675 [0,1,0,0,0,0|1,0,0]=2 680 B11R1.1 CNCCc1ccc(cc1)F 2230a_100000199005_200000210301 [0,1,0,0,0,0|1,0,0]=2 681 B11R1.1 CNCCc1ccc(cc1)F 2230a_106832991635_100011217392 [0,1,0,0,0,0|1,0,0]=2 682 B11R1.1 CNCCc1ccc(cc1)F 34a_100000199005_200000210301 [0,1,0,0,0,0|1,0,0]=2 683 B11R1.1 CNCCc1ccc(cc1)F 34a_100102657272_100011217392 [0,1,0,0,0,0|1,0,0]=2 684 B11R1.1 CNCCc1ccc(cc1)F 7a_106832991635_100011217392 [0,1,0,0,0,0|1,0,0]=2 685 B11R1.1 CNCCc1ccc(cc1)O 2230a_106832991635_100009816426 [0,1,0,0,0,0|1,0,0]=2 686 B11R1.1 CNCCc1ccc(cc1)O 271570a_203496583355_100000752880 [0,1,0,0,0,0|1,0,0]=2 687 B11R1.1 CNCCc1ccc(cc1)O 34a_100000743037_200000210301 [0,1,0,0,0,0|1,0,0]=2 688 B11R1.1 CNCCc1ccc(cc1)O 7a_106832991635_100009816426 [0,1,0,0,0,0|1,0,0]=2 689 B11R1.1 COCCc1ccc(cc1)Br 34a_100000766406_200000210301 [0,1,0,0,0,0|2,0,0]=3 690 B11R1.1 COCCc1ccc(cc1)Br 34a_100138415774_100011740612 [0,1,0,0,0,0|2,0,0]=3 691 B11R1.1 COCCc1ccc(cc1)Br 7a_100000766406_200000210301 [0,1,0,0,0,0|2,0,0]=3 692 B11R1.1 COCCc1ccc(cc1)C 34a_100000756670_200000210301 [0,1,0,0,0,0|2,0,0]=3 693 B11R1.1 COCCc1ccc(cc1)C 34a_100138415774_100011713686 [0,1,0,0,0,0|2,0,0]=3 694 B11R1.1 COCCc1ccc(cc1)C 7a_100000756670_200000210301 [0,1,0,0,0,0|2,0,0]=3 695 B11R1.1 COCCc1ccc(cc1)Cl 34a_100011219627_200000210301 [0,1,0,0,0,0|2,0,0]=3 696 B11R1.1 COCCc1ccc(cc1)Cl 34a_100138415774_100011713675 [0,1,0,0,0,0|2,0,0]=3 697 B11R1.1 COCCc1ccc(cc1)Cl 7a_100011219627_200000210301 [0,1,0,0,0,0|2,0,0]=3 698 B11R1.1 COCCc1ccc(cc1)F 34a_100000754732_200000210301 [0,1,0,0,0,0|2,0,0]=3 699 B11R1.1 COCCc1ccc(cc1)F 34a_100138415774_100011217392 [0,1,0,0,0,0|2,0,0]=3 700 B11R1.1 COCCc1ccc(cc1)F 7a_100000754732_200000210301 [0,1,0,0,0,0|2,0,0]=3 701 B11R1.1 COCCc1ccc(cc1)I 34a_100012291149_200000210301 [0,1,0,0,0,0|2,0,0]=3 702 B11R1.1 COCCc1ccc(cc1)I 7a_100012291149_200000210301 [0,1,0,0,0,0|2,0,0]=3 703 B11R1.1 COCCc1ccc(cc1)N 34a_100011204434_200000210301 [0,1,0,0,0,0|2,0,0]=3 704 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [0,1,0,0,0,0|2,0,0]=3 705 B11R1.1 COCCc1ccc(cn1)Br 34a_100012357577_200000210301 [0,1,0,0,0,0|1,0,0]=2 706 B11R1.1 COCCc1ccc(nc1)C 34a_100011815783_200000210301 [0,1,0,0,0,0|3,0,0]=4 707 B11R1.1 COCCc1ccc(nc1)Cl 34a_100009880866_200000210301 [0,1,0,0,0,0|3,0,0]=4 708 B11R1.1 COCCc1ccc(nc1)Cl 7a_100009880866_200000210301 [0,1,0,0,0,0|3,0,0]=4 709 B11R1.1 COCNc1ccc(cc1)Br 2230a_100000210018_100000766300 [0,1,0,0,0,0|3,0,0]=4 710 B11R1.1 COCNc1ccc(cc1)Cl 2230a_100000210052_100000766300 [0,1,0,0,0,0|3,0,0]=4 711 B11R1.1 COCOc1ccc(cc1)O 271570a_203496583355_100012265687 [0,1,0,0,0,0|3,0,0]=4 712 B11R1.1 COCSc1ccc(=O)[nH]n1 62a_100000766300_100009820020 [0,1,0,0,0,0|3,0,0]=4 713 B11R1.1 COCSc1ccc(=O)[nH]n1 62a_100009820020_100000766300 [0,1,0,0,0,0|3,0,0]=4 714 B11R1.1 COCSc1ccc(cc1)Br 62a_100000752885_100000766300 [0,1,0,0,0,0|3,0,0]=4 715 B11R1.1 COCSc1ccc(cc1)Br 62a_100000766300_100000752885 [0,1,0,0,0,0|3,0,0]=4 716 B11R1.1 COCSc1ccc(cc1)C 62a_100000186775_100000766300 [0,1,0,0,0,0|3,0,0]=4 717 B11R1.1 COCSc1ccc(cc1)C 62a_100000766300_100000186775 [0,1,0,0,0,0|3,0,0]=4 718 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000755918_100000766300 [0,1,0,0,0,0|3,0,0]=4 719 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000766300_100000755918 [0,1,0,0,0,0|3,0,0]=4 720 B11R1.1 COCSc1ccc(cc1)F 62a_100000211213_100000766300 [0,1,0,0,0,0|3,0,0]=4 721 B11R1.1 COCSc1ccc(cc1)F 62a_100000766300_100000211213 [0,1,0,0,0,0|3,0,0]=4 722 B11R1.1 COCSc1ccc(cc1)N 62a_100000185761_100000766300 [0,1,0,0,0,0|3,0,0]=4 723 B11R1.1 COCSc1ccc(cc1)N 62a_100000766300_100000185761 [0,1,0,0,0,0|3,0,0]=4 724 B11R1.1 COCSc1ccc(cc1)O 62a_100000766300_100000185759 [0,1,0,0,0,0|3,0,0]=4 725 B11R1.1 COCSc1ccc(cn1)Br 62a_100000686858_100000766300 [0,1,0,0,0,0|2,0,0]=3 726 B11R1.1 COCSc1ccc(cn1)Br 62a_100000766300_100000686858 [0,1,0,0,0,0|2,0,0]=3 727 B11R1.1 COCSc1ccc(cn1)C 62a_100000766300_100000754016 [0,1,0,0,0,0|2,0,0]=3 728 B11R1.1 COCSc1ccc(cn1)C 62a_100011192072_100000766300 [0,1,0,0,0,0|2,0,0]=3 729 B11R1.1 COCSc1ccc(cn1)Cl 62a_100000766300_100011356976 [0,1,0,0,0,0|2,0,0]=3 730 B11R1.1 COCSc1ccc(cn1)Cl 62a_100011356976_100000766300 [0,1,0,0,0,0|2,0,0]=3 731 B11R1.1 COCSc1ccc(cn1)F 62a_100000744514_100000766300 [0,1,0,0,0,0|2,0,0]=3 732 B11R1.1 COCSc1ccc(cn1)F 62a_100000766300_100000744514 [0,1,0,0,0,0|2,0,0]=3 733 B11R1.1 COCSc1ccc(cn1)N 62a_100000737798_100000766300 [0,1,0,0,0,0|2,0,0]=3 734 B11R1.1 COCSc1ccc(cn1)N 62a_100000766300_100000737798 [0,1,0,0,0,0|2,0,0]=3 735 B11R1.1 COCSc1ccc(cn1)O 62a_100000685995_100000766300 [0,1,0,0,0,0|2,0,0]=3 736 B11R1.1 COCSc1ccc(cn1)O 62a_100000766300_100000744096 [0,1,0,0,0,0|2,0,0]=3 737 B11R1.1 COCSc1ccc(nn1)C 62a_100000744512_100000766300 [0,1,0,0,0,0|3,0,0]=4 738 B11R1.1 COCSc1ccc(nn1)C 62a_100000766300_100000744512 [0,1,0,0,0,0|3,0,0]=4 739 B11R1.1 COCSc1ccc(nn1)Cl 62a_100000068654_100000766300 [0,1,0,0,0,0|3,0,0]=4 740 B11R1.1 COCSc1ccc(nn1)Cl 62a_100000766300_100000068654 [0,1,0,0,0,0|3,0,0]=4 741 B11R1.1 COCSc1ccc(nn1)N 62a_100000766300_100010219413 [0,1,0,0,0,0|3,0,0]=4 742 B11R1.1 COCSc1ccc(nn1)N 62a_100010219413_100000766300 [0,1,0,0,0,0|3,0,0]=4 743 B11R1.1 COCSc1cnc(cn1)Br 62a_100000766300_100010187541 [0,1,0,0,0,0|3,0,0]=4 744 B11R1.1 COCSc1cnc(cn1)Br 62a_100010187541_100000766300 [0,1,0,0,0,0|3,0,0]=4 745 B11R1.1 COCSc1cnc(cn1)C 62a_100000766300_100011999403 [0,1,0,0,0,0|3,0,0]=4 746 B11R1.1 COCSc1cnc(cn1)C 62a_100011999403_100000766300 [0,1,0,0,0,0|3,0,0]=4 747 B11R1.1 COCSc1cnc(cn1)Cl 62a_100000766300_100010214907 [0,1,0,0,0,0|3,0,0]=4 748 B11R1.1 COCSc1cnc(cn1)Cl 62a_100010214907_100000766300 [0,1,0,0,0,0|3,0,0]=4 749 B11R1.1 COCSc1cnc(cn1)F 62a_100000766300_100009856528 [0,1,0,0,0,0|3,0,0]=4 750 B11R1.1 COCSc1cnc(cn1)F 62a_100009856528_100000766300 [0,1,0,0,0,0|3,0,0]=4 751 B11R1.1 COCSc1cnc(cn1)N 62a_100000744751_100000766300 [0,1,0,0,0,0|3,0,0]=4 752 B11R1.1 COCSc1cnc(cn1)N 62a_100000766300_100000744751 [0,1,0,0,0,0|3,0,0]=4 753 B11R1.1 COCSc1cnc(cn1)O 62a_100000766300_100015839800 [0,1,0,0,0,0|3,0,0]=4 754 B11R1.1 COCSc1cnc(cn1)O 62a_100011934580_100000766300 [0,1,0,0,0,0|3,0,0]=4 755 B11R1.1 COCSc1ncc(cn1)Br 62a_100000690281_100000766300 [0,1,0,0,0,0|3,0,0]=4 756 B11R1.1 COCSc1ncc(cn1)Br 62a_100000766300_100000690281 [0,1,0,0,0,0|3,0,0]=4 757 B11R1.1 COCSc1ncc(cn1)C 62a_100000061069_100000766300 [0,1,0,0,0,0|3,0,0]=4 758 B11R1.1 COCSc1ncc(cn1)C 62a_100000766300_100000061069 [0,1,0,0,0,0|3,0,0]=4 759 B11R1.1 COCSc1ncc(cn1)Cl 62a_100000766300_100011356929 [0,1,0,0,0,0|3,0,0]=4 760 B11R1.1 COCSc1ncc(cn1)Cl 62a_100011356929_100000766300 [0,1,0,0,0,0|3,0,0]=4 761 B11R1.1 COCSc1ncc(cn1)F 62a_100000685220_100000766300 [0,1,0,0,0,0|3,0,0]=4 762 B11R1.1 COCSc1ncc(cn1)F 62a_100000766300_100000685220 [0,1,0,0,0,0|3,0,0]=4 763 B11R1.1 COCSc1ncc(cn1)N 62a_100000068403_100000766300 [0,1,0,0,0,0|3,0,0]=4 764 B11R1.1 COCSc1ncc(cn1)N 62a_100000766300_100000068403 [0,1,0,0,0,0|3,0,0]=4 765 B11R1.1 COCSc1ncc(cn1)O 62a_100000730009_100000766300 [0,1,0,0,0,0|3,0,0]=4 766 B11R1.1 COCSc1ncc(cn1)O 62a_100000766300_100000092845 [0,1,0,0,0,0|3,0,0]=4 767 B11R1.1 CSCCc1ccc(cc1)Br 62a_100011740612_200000210301 [0,1,0,0,0,0|2,0,0]=3 768 B11R1.1 CSCCc1ccc(cc1)Br 62a_200000210301_100011740612 [0,1,0,0,0,0|2,0,0]=3 769 B11R1.1 CSCCc1ccc(cc1)C 62a_100011713686_200000210301 [0,1,0,0,0,0|2,0,0]=3 770 B11R1.1 CSCCc1ccc(cc1)C 62a_200000210301_100011713686 [0,1,0,0,0,0|2,0,0]=3 771 B11R1.1 CSCCc1ccc(cc1)Cl 62a_100011713675_200000210301 [0,1,0,0,0,0|2,0,0]=3 772 B11R1.1 CSCCc1ccc(cc1)Cl 62a_200000210301_100011713675 [0,1,0,0,0,0|2,0,0]=3 773 B11R1.1 CSCCc1ccc(cc1)F 62a_100011217392_200000210301 [0,1,0,0,0,0|2,0,0]=3 774 B11R1.1 CSCCc1ccc(cc1)F 62a_200000210301_100011217392 [0,1,0,0,0,0|2,0,0]=3 775 B11R1.1 CSCCc1ccc(cc1)O 62a_100009816426_200000210301 [0,1,0,0,0,0|2,0,0]=3 776 B11R1.1 CSCCc1ccc(cc1)O 62a_200000210301_100009816426 [0,1,0,0,0,0|2,0,0]=3 777 B11R1.1 CSCNc1ccc(cc1)Br 2230a_100000210018_100011218213 [0,1,0,0,0,0|3,0,0]=4 778 B11R1.1 CSCNc1ccc(cc1)Br 34a_100000210018_100011218213 [0,1,0,0,0,0|3,0,0]=4 779 B11R1.1 CSCNc1ccc(cc1)C 34a_100000124888_100011218213 [0,1,0,0,0,0|3,0,0]=4 780 B11R1.1 CSCNc1ccc(cc1)Cl 2230a_100000210052_100011218213 [0,1,0,0,0,0|3,0,0]=4 781 B11R1.1 CSCNc1ccc(cc1)Cl 34a_100000210052_100011218213 [0,1,0,0,0,0|3,0,0]=4 782 B11R1.1 CSCNc1ccc(cc1)F 34a_100000185862_100011218213 [0,1,0,0,0,0|3,0,0]=4 783 B11R1.1 CSCNc1ccc(cc1)I 34a_100000185761_100011218213 [0,1,0,0,0,0|3,0,0]=4 784 B11R1.1 CSCNc1ccc(cc1)O 34a_100000185829_100011218213 [0,1,0,0,0,0|3,0,0]=4 785 B11R1.1 CSCOc1ccc(cc1)Br 34a_100000185759_100011218213 [0,1,0,0,0,0|3,0,0]=4 786 B11R1.1 CSCOc1ccc(cc1)C 34a_100000210336_100011218213 [0,1,0,0,0,0|3,0,0]=4 787 B11R1.1 CSCOc1ccc(cc1)Cl 34a_100000210216_100011218213 [0,1,0,0,0,0|3,0,0]=4 788 B11R1.1 CSCOc1ccc(cc1)F 34a_100000210339_100011218213 [0,1,0,0,0,0|3,0,0]=4 789 B11R1.1 CSCOc1ccc(cc1)I 34a_100000212066_100011218213 [0,1,0,0,0,0|3,0,0]=4 790 B11R1.1 CSCOc1ccc(cc1)N 34a_100000185829_100011218213 [0,1,0,0,0,0|3,0,0]=4 791 B11R1.1 CSCOc1ccc(cn1)C 34a_100000759353_100011218213 [0,1,0,0,0,0|2,0,0]=3 792 B11R1.1 CSCOc1ccc(cn1)Cl 34a_100011215309_100011218213 [0,1,0,0,0,0|2,0,0]=3 793 B11R1.1 CSCOc1ccc(cn1)F 34a_100000742473_100011218213 [0,1,0,0,0,0|2,0,0]=3 794 B11R1.1 CSCOc1ccc(cn1)N 34a_100000729260_100011218213 [0,1,0,0,0,0|2,0,0]=3 795 B11R1.1 CSCOc1cnc(cn1)Br 34a_100011934580_100011218213 [0,1,0,0,0,0|3,0,0]=4 796 B11R1.1 CSCOc1cnc(cn1)Cl 34a_100015839800_100011218213 [0,1,0,0,0,0|3,0,0]=4 797 B11R1.1 CSCOc1ncc(cn1)F 34a_100011934040_100011218213 [0,1,0,0,0,0|3,0,0]=4 798 B11R1.1 CSCSc1ccc(=O)[nH]n1 62a_100009820020_100011218213 [0,1,0,0,0,0|3,0,0]=4 799 B11R1.1 CSCSc1ccc(=O)[nH]n1 62a_100011218213_100009820020 [0,1,0,0,0,0|3,0,0]=4 800 B11R1.1 CSCSc1ccc(cc1)Br 62a_100000752885_100011218213 [0,1,0,0,0,0|3,0,0]=4 801 B11R1.1 CSCSc1ccc(cc1)Br 62a_100011218213_100000752885 [0,1,0,0,0,0|3,0,0]=4 802 B11R1.1 CSCSc1ccc(cc1)C 62a_100000186775_100011218213 [0,1,0,0,0,0|3,0,0]=4 803 B11R1.1 CSCSc1ccc(cc1)C 62a_100011218213_100000186775 [0,1,0,0,0,0|3,0,0]=4 804 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100000755918_100011218213 [0,1,0,0,0,0|3,0,0]=4 805 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100011218213_100000755918 [0,1,0,0,0,0|3,0,0]=4 806 B11R1.1 CSCSc1ccc(cc1)F 62a_100000211213_100011218213 [0,1,0,0,0,0|3,0,0]=4 807 B11R1.1 CSCSc1ccc(cc1)F 62a_100011218213_100000211213 [0,1,0,0,0,0|3,0,0]=4 808 B11R1.1 CSCSc1ccc(cc1)N 62a_100000185761_100011218213 [0,1,0,0,0,0|3,0,0]=4 809 B11R1.1 CSCSc1ccc(cc1)N 62a_100011218213_100000185761 [0,1,0,0,0,0|3,0,0]=4 810 B11R1.1 CSCSc1ccc(cc1)O 62a_100011218213_100000185759 [0,1,0,0,0,0|3,0,0]=4 811 B11R1.1 CSCSc1ccc(cn1)Br 62a_100000686858_100011218213 [0,1,0,0,0,0|2,0,0]=3 812 B11R1.1 CSCSc1ccc(cn1)Br 62a_100011218213_100000686858 [0,1,0,0,0,0|2,0,0]=3 813 B11R1.1 CSCSc1ccc(cn1)C 62a_100011192072_100011218213 [0,1,0,0,0,0|2,0,0]=3 814 B11R1.1 CSCSc1ccc(cn1)C 62a_100011218213_100000754016 [0,1,0,0,0,0|2,0,0]=3 815 B11R1.1 CSCSc1ccc(cn1)Cl 62a_100011218213_100011356976 [0,1,0,0,0,0|2,0,0]=3 816 B11R1.1 CSCSc1ccc(cn1)Cl 62a_100011356976_100011218213 [0,1,0,0,0,0|2,0,0]=3 817 B11R1.1 CSCSc1ccc(cn1)F 62a_100000744514_100011218213 [0,1,0,0,0,0|2,0,0]=3 818 B11R1.1 CSCSc1ccc(cn1)F 62a_100011218213_100000744514 [0,1,0,0,0,0|2,0,0]=3 819 B11R1.1 CSCSc1ccc(cn1)N 62a_100000737798_100011218213 [0,1,0,0,0,0|2,0,0]=3 820 B11R1.1 CSCSc1ccc(cn1)N 62a_100011218213_100000737798 [0,1,0,0,0,0|2,0,0]=3 821 B11R1.1 CSCSc1ccc(cn1)O 62a_100000685995_100011218213 [0,1,0,0,0,0|2,0,0]=3 822 B11R1.1 CSCSc1ccc(cn1)O 62a_100011218213_100000744096 [0,1,0,0,0,0|2,0,0]=3 823 B11R1.1 CSCSc1ccc(nn1)C 62a_100000744512_100011218213 [0,1,0,0,0,0|3,0,0]=4 824 B11R1.1 CSCSc1ccc(nn1)C 62a_100011218213_100000744512 [0,1,0,0,0,0|3,0,0]=4 825 B11R1.1 CSCSc1ccc(nn1)Cl 62a_100000068654_100011218213 [0,1,0,0,0,0|3,0,0]=4 826 B11R1.1 CSCSc1ccc(nn1)Cl 62a_100011218213_100000068654 [0,1,0,0,0,0|3,0,0]=4 827 B11R1.1 CSCSc1ccc(nn1)N 62a_100010219413_100011218213 [0,1,0,0,0,0|3,0,0]=4 828 B11R1.1 CSCSc1ccc(nn1)N 62a_100011218213_100010219413 [0,1,0,0,0,0|3,0,0]=4 829 B11R1.1 CSCSc1cnc(cn1)Br 62a_100010187541_100011218213 [0,1,0,0,0,0|3,0,0]=4 830 B11R1.1 CSCSc1cnc(cn1)Br 62a_100011218213_100010187541 [0,1,0,0,0,0|3,0,0]=4 831 B11R1.1 CSCSc1cnc(cn1)C 62a_100011218213_100011999403 [0,1,0,0,0,0|3,0,0]=4 832 B11R1.1 CSCSc1cnc(cn1)C 62a_100011999403_100011218213 [0,1,0,0,0,0|3,0,0]=4 833 B11R1.1 CSCSc1cnc(cn1)Cl 62a_100010214907_100011218213 [0,1,0,0,0,0|3,0,0]=4 834 B11R1.1 CSCSc1cnc(cn1)Cl 62a_100011218213_100010214907 [0,1,0,0,0,0|3,0,0]=4 835 B11R1.1 CSCSc1cnc(cn1)F 62a_100009856528_100011218213 [0,1,0,0,0,0|3,0,0]=4 836 B11R1.1 CSCSc1cnc(cn1)F 62a_100011218213_100009856528 [0,1,0,0,0,0|3,0,0]=4 837 B11R1.1 CSCSc1cnc(cn1)N 62a_100000744751_100011218213 [0,1,0,0,0,0|3,0,0]=4 838 B11R1.1 CSCSc1cnc(cn1)N 62a_100011218213_100000744751 [0,1,0,0,0,0|3,0,0]=4 839 B11R1.1 CSCSc1cnc(cn1)O 62a_100011218213_100015839800 [0,1,0,0,0,0|3,0,0]=4 840 B11R1.1 CSCSc1cnc(cn1)O 62a_100011934580_100011218213 [0,1,0,0,0,0|3,0,0]=4 841 B11R1.1 CSCSc1ncc(cn1)Br 62a_100000690281_100011218213 [0,1,0,0,0,0|3,0,0]=4 842 B11R1.1 CSCSc1ncc(cn1)Br 62a_100011218213_100000690281 [0,1,0,0,0,0|3,0,0]=4 843 B11R1.1 CSCSc1ncc(cn1)C 62a_100000061069_100011218213 [0,1,0,0,0,0|3,0,0]=4 844 B11R1.1 CSCSc1ncc(cn1)C 62a_100011218213_100000061069 [0,1,0,0,0,0|3,0,0]=4 845 B11R1.1 CSCSc1ncc(cn1)Cl 62a_100011218213_100011356929 [0,1,0,0,0,0|3,0,0]=4 846 B11R1.1 CSCSc1ncc(cn1)Cl 62a_100011356929_100011218213 [0,1,0,0,0,0|3,0,0]=4 847 B11R1.1 CSCSc1ncc(cn1)F 62a_100000685220_100011218213 [0,1,0,0,0,0|3,0,0]=4 848 B11R1.1 CSCSc1ncc(cn1)F 62a_100011218213_100000685220 [0,1,0,0,0,0|3,0,0]=4 849 B11R1.1 CSCSc1ncc(cn1)N 62a_100000068403_100011218213 [0,1,0,0,0,0|3,0,0]=4 850 B11R1.1 CSCSc1ncc(cn1)N 62a_100011218213_100000068403 [0,1,0,0,0,0|3,0,0]=4 851 B11R1.1 CSCSc1ncc(cn1)O 62a_100000730009_100011218213 [0,1,0,0,0,0|3,0,0]=4 852 B11R1.1 CSCSc1ncc(cn1)O 62a_100011218213_100000092845 [0,1,0,0,0,0|3,0,0]=4 853 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 2230a_100000705350_200025704644 [0,1,0,0,0,0|1,0,0]=2 854 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 34a_100000705350_200025704644 [0,1,0,0,0,0|1,0,0]=2 855 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 34a_100000756670_200025704644 [0,1,0,0,0,0|2,0,0]=3 856 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 7a_100000756670_200025704644 [0,1,0,0,0,0|2,0,0]=3 857 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_100011713686_200025704644 [0,1,0,0,0,0|2,0,0]=3 858 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713686 [0,1,0,0,0,0|2,0,0]=3 859 B11R1.1 Cc1ccc(cn1)CCO[13CH3] 34a_100011815783_200025704644 [0,1,0,0,0,0|3,0,0]=4 860 B11R1.1 Cc1ccc(nc1)CNCF 34a_100015187455_100015361967 [0,1,0,0,0,0|3,0,0]=4 861 B11R1.1 Cc1ccc(nc1)COCF 34a_100012001401_100015361967 [0,1,0,0,0,0|3,0,0]=4 862 B11R1.1 Cc1ccc(nc1)CSCF 62a_100000691093_100015361967 [0,1,0,0,0,0|3,0,0]=4 863 B11R1.1 Cc1ccc(nc1)CSCF 62a_100015361967_100000691093 [0,1,0,0,0,0|3,0,0]=4 864 B11R1.1 Cc1ccc(nc1)OCC=O 34a_100000759353_200009817547 [0,1,0,0,0,0|3,0,0]=4 865 B11R1.1 Cc1ccc(nc1)OCCF 34a_100000759353_100011217306 [0,1,0,0,0,0|3,0,0]=4 866 B11R1.1 Cc1ccc(nc1)OCCO 34a_100000759353_100000211926 [0,1,0,0,0,0|3,0,0]=4 867 B11R1.1 Cc1ccc(nc1)SCC#N 62a_100011192072_100011215382 [0,1,0,0,0,0|3,0,0]=4 868 B11R1.1 Cc1ccc(nc1)SCC#N 62a_100011215382_100000754016 [0,1,0,0,0,0|3,0,0]=4 869 B11R1.1 Cc1ccc(nc1)SCC=O 62a_100011192072_200015260668 [0,1,0,0,0,0|3,0,0]=4 870 B11R1.1 Cc1ccc(nc1)SCC=O 62a_200015260668_100000754016 [0,1,0,0,0,0|3,0,0]=4 871 B11R1.1 Cc1ccc(nc1)SCCF 62a_100011192072_100011217306 [0,1,0,0,0,0|3,0,0]=4 872 B11R1.1 Cc1ccc(nc1)SCCF 62a_100011217306_100000754016 [0,1,0,0,0,0|3,0,0]=4 873 B11R1.1 Cc1ccc(nc1)SCCO 62a_100000211926_100000754016 [0,1,0,0,0,0|3,0,0]=4 874 B11R1.1 Cc1ccc(nc1)SCCO 62a_100011192072_100000211926 [0,1,0,0,0,0|3,0,0]=4 875 B11R1.1 FCCOc1ccc(cn1)Cl 34a_100011215309_100011217306 [0,1,0,0,0,0|3,0,0]=4 876 B11R1.1 FCCOc1ccc(cn1)F 34a_100000742473_100011217306 [0,1,0,0,0,0|3,0,0]=4 877 B11R1.1 FCCSc1ccc(cn1)Br 62a_100000686858_100011217306 [0,1,0,0,0,0|3,0,0]=4 878 B11R1.1 FCCSc1ccc(cn1)Br 62a_100011217306_100000686858 [0,1,0,0,0,0|3,0,0]=4 879 B11R1.1 FCCSc1ccc(cn1)Cl 62a_100011217306_100011356976 [0,1,0,0,0,0|3,0,0]=4 880 B11R1.1 FCCSc1ccc(cn1)Cl 62a_100011356976_100011217306 [0,1,0,0,0,0|3,0,0]=4 881 B11R1.1 FCCSc1ccc(cn1)F 62a_100000744514_100011217306 [0,1,0,0,0,0|3,0,0]=4 882 B11R1.1 FCCSc1ccc(cn1)F 62a_100011217306_100000744514 [0,1,0,0,0,0|3,0,0]=4 883 B11R1.1 FCNCc1ccc(cn1)Br 34a_100015188789_100015361967 [0,1,0,0,0,0|3,0,0]=4 884 B11R1.1 FCNCc1ccc(cn1)Cl 34a_100000697193_100015361967 [0,1,0,0,0,0|3,0,0]=4 885 B11R1.1 FCNCc1ccc(cn1)F 34a_100020620131_100015361967 [0,1,0,0,0,0|3,0,0]=4 886 B11R1.1 FCOCc1ccc(cn1)Br 34a_100000754261_100015361967 [0,1,0,0,0,0|3,0,0]=4 887 B11R1.1 FCOCc1ccc(cn1)Cl 34a_100000703999_100015361967 [0,1,0,0,0,0|3,0,0]=4 888 B11R1.1 FCOCc1ccc(cn1)F 34a_100011999454_100015361967 [0,1,0,0,0,0|3,0,0]=4 889 B11R1.1 FCSCc1ccc(cn1)Br 62a_100000702658_100015361967 [0,1,0,0,0,0|3,0,0]=4 890 B11R1.1 FCSCc1ccc(cn1)Br 62a_100015361967_100000702658 [0,1,0,0,0,0|3,0,0]=4 891 B11R1.1 FCSCc1ccc(cn1)Cl 62a_100012066911_100015361967 [0,1,0,0,0,0|3,0,0]=4 892 B11R1.1 FCSCc1ccc(cn1)Cl 62a_100015361967_100000697101 [0,1,0,0,0,0|3,0,0]=4 893 B11R1.1 FCSCc1ccc(cn1)F 62a_100000703193_100015361967 [0,1,0,0,0,0|3,0,0]=4 894 B11R1.1 FCSCc1ccc(cn1)F 62a_100015361967_100000703193 [0,1,0,0,0,0|3,0,0]=4 895 B11R1.1 N#CCCc1ccc(cc1)O 271570a_203496583355_100011216407 [0,1,0,0,0,0|3,0,0]=4 896 B11R1.1 N#CCSc1ccc(cn1)Br 62a_100000686858_100011215382 [0,1,0,0,0,0|3,0,0]=4 897 B11R1.1 N#CCSc1ccc(cn1)Br 62a_100011215382_100000686858 [0,1,0,0,0,0|3,0,0]=4 898 B11R1.1 N#CCSc1ccc(cn1)Cl 62a_100011215382_100011356976 [0,1,0,0,0,0|3,0,0]=4 899 B11R1.1 N#CCSc1ccc(cn1)Cl 62a_100011356976_100011215382 [0,1,0,0,0,0|3,0,0]=4 900 B11R1.1 N#CCSc1ccc(cn1)F 62a_100000744514_100011215382 [0,1,0,0,0,0|3,0,0]=4 901 B11R1.1 N#CCSc1ccc(cn1)F 62a_100011215382_100000744514 [0,1,0,0,0,0|3,0,0]=4 902 B11R1.1 N#CCSc1ccc(cn1)N 62a_100000737798_100011215382 [0,1,0,0,0,0|3,0,0]=4 903 B11R1.1 N#CCSc1ccc(cn1)N 62a_100011215382_100000737798 [0,1,0,0,0,0|3,0,0]=4 904 B11R1.1 N#CCSc1ccc(cn1)O 62a_100000685995_100011215382 [0,1,0,0,0,0|3,0,0]=4 905 B11R1.1 N#CCSc1ccc(cn1)O 62a_100011215382_100000744096 [0,1,0,0,0,0|3,0,0]=4 906 B11R1.1 NCCCc1ccc(cc1)O 271570a_203496583355_100011297623 [0,1,0,0,0,0|3,0,0]=4 907 B11R1.1 NCCNc1ccc(cn1)O 271570a_203496583355_200011214600 [0,1,0,0,0,0|3,0,0]=4 908 B11R1.1 Nc1ccc(nc1)COCF 34a_100011998161_100015361967 [0,1,0,0,0,0|3,0,0]=4 909 B11R1.1 Nc1ccc(nc1)OCC=O 34a_100000729260_200009817547 [0,1,0,0,0,0|3,0,0]=4 910 B11R1.1 Nc1ccc(nc1)OCCF 34a_100000729260_100011217306 [0,1,0,0,0,0|3,0,0]=4 911 B11R1.1 Nc1ccc(nc1)OCCO 34a_100000729260_100000211926 [0,1,0,0,0,0|3,0,0]=4 912 B11R1.1 Nc1ccc(nc1)SCC=O 62a_100000737798_200015260668 [0,1,0,0,0,0|3,0,0]=4 913 B11R1.1 Nc1ccc(nc1)SCC=O 62a_200015260668_100000737798 [0,1,0,0,0,0|3,0,0]=4 914 B11R1.1 Nc1ccc(nc1)SCCF 62a_100000737798_100011217306 [0,1,0,0,0,0|3,0,0]=4 915 B11R1.1 Nc1ccc(nc1)SCCF 62a_100011217306_100000737798 [0,1,0,0,0,0|3,0,0]=4 916 B11R1.1 Nc1ccc(nc1)SCCO 62a_100000211926_100000737798 [0,1,0,0,0,0|3,0,0]=4 917 B11R1.1 Nc1ccc(nc1)SCCO 62a_100000737798_100000211926 [0,1,0,0,0,0|3,0,0]=4 918 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [0,1,0,0,0,0|3,0,0]=4 919 B11R1.1 O=CCOc1ccc(cn1)Cl 34a_100011215309_200009817547 [0,1,0,0,0,0|3,0,0]=4 920 B11R1.1 O=CCOc1ccc(cn1)F 34a_100000742473_200009817547 [0,1,0,0,0,0|3,0,0]=4 921 B11R1.1 O=CCSc1ccc(cn1)Br 62a_100000686858_200015260668 [0,1,0,0,0,0|3,0,0]=4 922 B11R1.1 O=CCSc1ccc(cn1)Br 62a_200015260668_100000686858 [0,1,0,0,0,0|3,0,0]=4 923 B11R1.1 O=CCSc1ccc(cn1)Cl 62a_100011356976_200015260668 [0,1,0,0,0,0|3,0,0]=4 924 B11R1.1 O=CCSc1ccc(cn1)Cl 62a_200015260668_100011356976 [0,1,0,0,0,0|3,0,0]=4 925 B11R1.1 O=CCSc1ccc(cn1)F 62a_100000744514_200015260668 [0,1,0,0,0,0|3,0,0]=4 926 B11R1.1 O=CCSc1ccc(cn1)F 62a_200015260668_100000744514 [0,1,0,0,0,0|3,0,0]=4 927 B11R1.1 O=CCSc1ccc(cn1)O 62a_100000685995_200015260668 [0,1,0,0,0,0|3,0,0]=4 928 B11R1.1 O=CCSc1ccc(cn1)O 62a_200015260668_100000744096 [0,1,0,0,0,0|3,0,0]=4 929 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [0,1,0,0,0,0|3,0,0]=4 930 B11R1.1 OCCNc1ccc(cn1)Br 27a_100000210304_100000686858 [0,1,0,0,0,0|3,0,0]=4 931 B11R1.1 OCCOc1ccc(cn1)Cl 34a_100011215309_100000211926 [0,1,0,0,0,0|3,0,0]=4 932 B11R1.1 OCCOc1ccc(cn1)F 34a_100000742473_100000211926 [0,1,0,0,0,0|3,0,0]=4 933 B11R1.1 OCCSc1ccc(cn1)Br 62a_100000211926_100000686858 [0,1,0,0,0,0|3,0,0]=4 934 B11R1.1 OCCSc1ccc(cn1)Br 62a_100000686858_100000211926 [0,1,0,0,0,0|3,0,0]=4 935 B11R1.1 OCCSc1ccc(cn1)Cl 62a_100000211926_100011356976 [0,1,0,0,0,0|3,0,0]=4 936 B11R1.1 OCCSc1ccc(cn1)Cl 62a_100011356976_100000211926 [0,1,0,0,0,0|3,0,0]=4 937 B11R1.1 OCCSc1ccc(cn1)F 62a_100000211926_100000744514 [0,1,0,0,0,0|3,0,0]=4 938 B11R1.1 OCCSc1ccc(cn1)F 62a_100000744514_100000211926 [0,1,0,0,0,0|3,0,0]=4 939 B11R1.1 OCCSc1ccc(cn1)O 62a_100000211926_100000744096 [0,1,0,0,0,0|3,0,0]=4 940 B11R1.1 OCCSc1ccc(cn1)O 62a_100000685995_100000211926 [0,1,0,0,0,0|3,0,0]=4 941 B11R1.1 Oc1ccc(nc1)SCCF 62a_100000685995_100011217306 [0,1,0,0,0,0|3,0,0]=4 942 B11R1.1 Oc1ccc(nc1)SCCF 62a_100011217306_100000744096 [0,1,0,0,0,0|3,0,0]=4 943 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 2230a_100000755846_200025704644 [0,1,0,0,0,0|1,0,0]=2 944 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 34a_100000755846_200025704644 [0,1,0,0,0,0|1,0,0]=2 945 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 2230a_100000185265_200025704644 [0,1,0,0,0,0|1,0,0]=2 946 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 34a_100000185265_200025704644 [0,1,0,0,0,0|1,0,0]=2 947 B11R1.1 [13CH3]NCCc1ccc(cc1)F 2230a_100000199005_200025704644 [0,1,0,0,0,0|1,0,0]=2 948 B11R1.1 [13CH3]NCCc1ccc(cc1)F 34a_100000199005_200025704644 [0,1,0,0,0,0|1,0,0]=2 949 B11R1.1 [13CH3]NCCc1ccc(cc1)O 34a_100000743037_200025704644 [0,1,0,0,0,0|1,0,0]=2 950 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 34a_100000766406_200025704644 [0,1,0,0,0,0|2,0,0]=3 951 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 7a_100000766406_200025704644 [0,1,0,0,0,0|2,0,0]=3 952 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 34a_100011219627_200025704644 [0,1,0,0,0,0|2,0,0]=3 953 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 7a_100011219627_200025704644 [0,1,0,0,0,0|2,0,0]=3 954 B11R1.1 [13CH3]OCCc1ccc(cc1)F 34a_100000754732_200025704644 [0,1,0,0,0,0|2,0,0]=3 955 B11R1.1 [13CH3]OCCc1ccc(cc1)F 7a_100000754732_200025704644 [0,1,0,0,0,0|2,0,0]=3 956 B11R1.1 [13CH3]OCCc1ccc(cc1)I 34a_100012291149_200025704644 [0,1,0,0,0,0|2,0,0]=3 957 B11R1.1 [13CH3]OCCc1ccc(cc1)I 7a_100012291149_200025704644 [0,1,0,0,0,0|2,0,0]=3 958 B11R1.1 [13CH3]OCCc1ccc(cc1)N 34a_100011204434_200025704644 [0,1,0,0,0,0|2,0,0]=3 959 B11R1.1 [13CH3]OCCc1ccc(cn1)Br 34a_100012357577_200025704644 [0,1,0,0,0,0|1,0,0]=2 960 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 34a_100009880866_200025704644 [0,1,0,0,0,0|3,0,0]=4 961 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 7a_100009880866_200025704644 [0,1,0,0,0,0|3,0,0]=4 962 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_100011740612_200025704644 [0,1,0,0,0,0|2,0,0]=3 963 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_200025704644_100011740612 [0,1,0,0,0,0|2,0,0]=3 964 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_100011713675_200025704644 [0,1,0,0,0,0|2,0,0]=3 965 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_200025704644_100011713675 [0,1,0,0,0,0|2,0,0]=3 966 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_100011217392_200025704644 [0,1,0,0,0,0|2,0,0]=3 967 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_200025704644_100011217392 [0,1,0,0,0,0|2,0,0]=3 968 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_100009816426_200025704644 [0,1,0,0,0,0|2,0,0]=3 969 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_200025704644_100009816426 [0,1,0,0,0,0|2,0,0]=3 970 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [0,1,0,0,0,0|1,0,0]=2 971 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [0,1,0,0,0,0|1,0,0]=2 972 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [0,1,0,0,0,0|2,0,0]=3 973 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [0,1,0,0,0,0|2,0,0]=3 974 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [0,1,0,0,0,0|2,0,0]=3 975 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [0,1,0,0,0,0|2,0,0]=3 976 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [0,1,0,0,0,0|2,0,1]=4 977 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [0,1,0,0,0,0|3,0,0]=4 978 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [0,1,0,0,0,0|3,0,0]=4 979 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [0,1,0,0,0,0|3,0,0]=4 980 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [0,1,0,0,0,0|3,0,0]=4 981 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [0,1,0,0,0,0|3,0,0]=4 982 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [0,1,0,0,0,0|3,0,0]=4 983 B11R1.16 CCCN(C)c1cccnn1 27a_100000747261_100016991348 [0,1,0,0,0,0|3,0,0]=4 984 B11R1.16 CCCN(C)c1ccncn1 27a_100000747261_100000703185 [0,1,0,0,0,0|3,0,0]=4 985 B11R1.16 CCCN(C)c1cnccn1 27a_100000747261_100000211759 [0,1,0,0,0,0|3,0,0]=4 986 B11R1.16 CCCN(C)c1ncccn1 27a_100000747261_100000211032 [0,1,0,0,0,0|3,0,0]=4 987 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [0,1,0,0,0,0|3,0,0]=4 988 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [0,1,0,0,0,0|3,0,0]=4 989 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [0,1,0,0,0,0|3,0,0]=4 990 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [0,1,0,0,0,0|3,0,0]=4 991 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [0,1,0,0,0,0|3,0,0]=4 992 B11R1.16 CCNC(C)c1ccccn1 2230a_100000181244_100000210202 [0,1,0,0,0,0|2,0,0]=3 993 B11R1.16 CCNC(C)c1ccccn1 269862a_100015525214_100000210467 [0,1,0,0,0,0|2,0,0]=3 994 B11R1.16 CCNC(C)c1cccnn1 269862a_100015525214_100009866853 [0,1,0,0,0,0|3,0,0]=4 995 B11R1.16 CCNC(C)c1cnccn1 2230a_100015525214_200000703233 [0,1,0,0,0,0|3,0,0]=4 996 B11R1.16 CCNC(C)c1cnccn1 269862a_100015525214_100000751083 [0,1,0,0,0,0|3,0,0]=4 997 B11R1.16 CCNC(C)c1ncccn1 2230a_100020641698_100000210202 [0,1,0,0,0,0|3,0,0]=4 998 B11R1.16 CCNC(C)c1ncccn1 270004a_100015525214_100011350828 [0,1,0,0,0,0|3,0,0]=4 999 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [0,1,0,0,0,0|3,0,0]=4 1000 B11R1.16 CCN[C@H](C)c1cnccn1 2230a_100020589798_100000210202 [0,1,0,0,0,0|3,0,0]=4 1001 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [0,1,0,0,0,0|3,0,0]=4 1002 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [0,1,0,0,0,0|3,0,0]=4 1003 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [0,1,0,0,0,0|3,0,0]=4 1004 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [0,1,0,0,0,0|3,0,0]=4 1005 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [0,1,0,0,0,0|3,0,0]=4 1006 B11R1.16 CCSC(C)c1cnccn1 62a_100000210202_200000703233 [0,1,0,0,0,0|3,0,0]=4 1007 B11R1.16 CCSC(C)c1cnccn1 62a_200000703233_100000210202 [0,1,0,0,0,0|3,0,0]=4 1008 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [0,1,0,0,0,0|1,0,1]=3 1009 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [0,1,0,0,0,0|0,0,1]=2 1010 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [0,1,0,0,0,0|0,0,1]=2 1011 B11R1.16 CNCC(=O)c1ccncc1 7a_106832991635_100015248511 [0,1,0,0,0,0|2,0,1]=4 1012 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [0,1,0,0,0,0|1,0,0]=2 1013 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [0,1,0,0,0,0|1,0,0]=2 1014 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [0,1,0,0,0,0|1,0,0]=2 1015 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [0,1,0,0,0,0|1,0,0]=2 1016 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [0,1,0,0,0,0|1,0,0]=2 1017 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [0,1,0,0,0,0|1,0,0]=2 1018 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [0,1,0,0,0,0|1,0,0]=2 1019 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [0,1,0,0,0,0|1,0,0]=2 1020 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [0,1,0,0,0,0|1,0,0]=2 1021 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [0,1,0,0,0,0|1,0,0]=2 1022 B11R1.16 CNCC(O)c1ccccn1 2230a_100000691469_200000210301 [0,1,0,0,0,0|0,0,0]=1 1023 B11R1.16 CNCC(O)c1cccnc1 2230a_100020605170_200000210301 [0,1,0,0,0,0|2,0,0]=3 1024 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [0,1,0,0,0,0|1,0,0]=2 1025 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [0,1,0,0,0,0|1,0,0]=2 1026 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [0,1,0,0,0,0|1,0,0]=2 1027 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [0,1,0,0,0,0|2,0,1]=4 1028 B11R1.16 COCC(=O)c1ccccn1 34a_100138415774_100000027445 [0,1,0,0,0,0|1,0,1]=3 1029 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [0,1,0,0,0,0|2,0,0]=3 1030 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [0,1,0,0,0,0|2,0,0]=3 1031 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [0,1,0,0,0,0|2,0,0]=3 1032 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [0,1,0,0,0,0|2,0,0]=3 1033 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [0,1,0,0,0,0|3,0,0]=4 1034 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [0,1,0,0,0,0|3,0,0]=4 1035 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [0,1,0,0,0,0|2,0,0]=3 1036 B11R1.16 COC[C@@H](N)c1ccncc1 34a_100138412524_200000210301 [0,1,0,0,0,0|3,0,0]=4 1037 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [0,1,0,0,0,0|2,0,0]=3 1038 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [0,1,0,0,0,0|2,0,1]=4 1039 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [0,1,0,0,0,0|2,0,1]=4 1040 B11R1.16 CSCC(=O)c1ccccn1 62a_100000027445_200000210301 [0,1,0,0,0,0|1,0,1]=3 1041 B11R1.16 CSCC(=O)c1ccccn1 62a_200000210301_100000027445 [0,1,0,0,0,0|1,0,1]=3 1042 B11R1.16 CSCC(=O)c1ncccn1 62a_100020636365_200000210301 [0,1,0,0,0,0|2,0,1]=4 1043 B11R1.16 CSCC(=O)c1ncccn1 62a_200000210301_100020636365 [0,1,0,0,0,0|2,0,1]=4 1044 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [0,1,0,0,0,0|2,0,0]=3 1045 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [0,1,0,0,0,0|2,0,0]=3 1046 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [0,1,0,0,0,0|2,0,0]=3 1047 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [0,1,0,0,0,0|2,0,0]=3 1048 B11R1.16 CSCN(C)c1ccccc1 2230a_100000210012_100011218213 [0,1,0,0,0,0|3,0,0]=4 1049 B11R1.16 CSCN(C)c1ccccc1 269982a_100000210012_100011218213 [0,1,0,0,0,0|3,0,0]=4 1050 B11R1.16 CSCN(C)c1ccccc1 34a_100000210012_100011218213 [0,1,0,0,0,0|3,0,0]=4 1051 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [0,1,0,0,0,0|3,0,0]=4 1052 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [0,1,0,0,0,0|2,0,0]=3 1053 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [0,1,0,0,0,0|2,0,0]=3 1054 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [0,1,0,0,0,0|1,0,0]=2 1055 B11R1.16 [13CH3]NCC(O)c1ccccn1 2230a_100000691469_200025704644 [0,1,0,0,0,0|0,0,0]=1 1056 B11R1.16 [13CH3]NCC(O)c1cccnc1 2230a_100020605170_200025704644 [0,1,0,0,0,0|2,0,0]=3 1057 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [0,1,0,0,0,0|2,0,0]=3 1058 B11R1.16 [13CH3]OC[C@@H](N)c1ccncc1 34a_100138412524_200025704644 [0,1,0,0,0,0|3,0,0]=4 1059 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [0,1,0,0,0,0|2,0,1]=4 1060 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [0,1,0,0,0,0|2,0,1]=4 1061 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_100000027445_200025704644 [0,1,0,0,0,0|1,0,1]=3 1062 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_200025704644_100000027445 [0,1,0,0,0,0|1,0,1]=3 1063 B11R1.16 [13CH3]SCC(=O)c1ncccn1 62a_100020636365_200025704644 [0,1,0,0,0,0|2,0,1]=4 1064 B11R1.16 [13CH3]SCC(=O)c1ncccn1 62a_200025704644_100020636365 [0,1,0,0,0,0|2,0,1]=4 1065 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [0,1,0,0,0,0|2,0,0]=3 1066 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [0,1,0,0,0,0|2,0,0]=3 1067 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [0,1,0,0,0,0|3,0,0]=4 1068 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [0,1,0,0,0,0|2,0,0]=3 1069 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [0,1,0,0,0,0|2,0,0]=3 1070 B11R1.17 C#CCNc1ncccc1Br 27a_100000212058_100000696092 [0,1,0,0,0,0|2,0,1]=4 1071 B11R1.17 C#CCOc1ncccc1Cl 34a_100011290957_100000184674 [0,1,0,0,0,0|2,0,1]=4 1072 B11R1.17 C#CCOc1ncccc1F 34a_100011219419_100000184674 [0,1,0,0,0,0|2,0,1]=4 1073 B11R1.17 C#CCOc1ncccc1N 34a_100000746358_100000184674 [0,1,0,0,0,0|2,0,1]=4 1074 B11R1.17 C#CCSc1ncccc1Br 62a_100000038162_100000696092 [0,1,0,0,0,0|2,0,1]=4 1075 B11R1.17 C#CCSc1ncccc1C 62a_100000038162_100000751373 [0,1,0,0,0,0|2,0,1]=4 1076 B11R1.17 C#CCSc1ncccc1Cl 62a_100000038162_100011356963 [0,1,0,0,0,0|2,0,1]=4 1077 B11R1.17 C#CCSc1ncccc1F 62a_100000038162_100000685392 [0,1,0,0,0,0|2,0,1]=4 1078 B11R1.17 C#CCSc1ncccc1N 62a_100000038162_100000688686 [0,1,0,0,0,0|2,0,1]=4 1079 B11R1.17 C#CCSc1ncccc1O 62a_100000038162_100000034122 [0,1,0,0,0,0|2,0,1]=4 1080 B11R1.17 C=CCNc1ncccc1Br 27a_100020586998_100000696092 [0,1,0,0,0,0|2,0,1]=4 1081 B11R1.17 C=CCOc1ncccc1Cl 34a_100011290957_100015514636 [0,1,0,0,0,0|2,0,1]=4 1082 B11R1.17 C=CCOc1ncccc1F 34a_100011219419_100015514636 [0,1,0,0,0,0|2,0,1]=4 1083 B11R1.17 C=CCOc1ncccc1N 34a_100000746358_100015514636 [0,1,0,0,0,0|2,0,1]=4 1084 B11R1.17 C=CCSc1ncccc1Br 62a_100000210623_100000696092 [0,1,0,0,0,0|2,0,1]=4 1085 B11R1.17 C=CCSc1ncccc1Br 62a_100000696092_100000210623 [0,1,0,0,0,0|2,0,1]=4 1086 B11R1.17 C=CCSc1ncccc1C 62a_100000210623_100000751373 [0,1,0,0,0,0|2,0,1]=4 1087 B11R1.17 C=CCSc1ncccc1C 62a_100000751373_100000210623 [0,1,0,0,0,0|2,0,1]=4 1088 B11R1.17 C=CCSc1ncccc1Cl 62a_100000210623_100011356963 [0,1,0,0,0,0|2,0,1]=4 1089 B11R1.17 C=CCSc1ncccc1Cl 62a_100011356963_100000210623 [0,1,0,0,0,0|2,0,1]=4 1090 B11R1.17 C=CCSc1ncccc1F 62a_100000210623_100000685392 [0,1,0,0,0,0|2,0,1]=4 1091 B11R1.17 C=CCSc1ncccc1F 62a_100000685392_100000210623 [0,1,0,0,0,0|2,0,1]=4 1092 B11R1.17 C=CCSc1ncccc1N 62a_100000210623_100000688686 [0,1,0,0,0,0|2,0,1]=4 1093 B11R1.17 C=CCSc1ncccc1N 62a_100000688686_100000210623 [0,1,0,0,0,0|2,0,1]=4 1094 B11R1.17 C=CCSc1ncccc1O 62a_100000034122_100000210623 [0,1,0,0,0,0|2,0,1]=4 1095 B11R1.17 C=CCSc1ncccc1O 62a_100000210623_100000034122 [0,1,0,0,0,0|2,0,1]=4 1096 B11R1.17 CC=NNc1ncccc1Br 4a_100011464834_200000210099 [0,1,0,0,0,0|3,0,0]=4 1097 B11R1.17 CC=NNc1ncccc1C 4a_100000708268_200000210099 [0,1,0,0,0,0|3,0,0]=4 1098 B11R1.17 CC=NNc1ncccc1Cl 4a_100000741667_200000210099 [0,1,0,0,0,0|3,0,0]=4 1099 B11R1.17 CC=NNc1ncccc1F 4a_100000717775_200000210099 [0,1,0,0,0,0|3,0,0]=4 1100 B11R1.17 CC=NNc1ncccc1I 4a_100010221029_200000210099 [0,1,0,0,0,0|3,0,0]=4 1101 B11R1.17 CCCCc1c[nH]ccc1=O 271570a_100020621405_100009998708 [0,1,0,0,0,0|3,0,0]=4 1102 B11R1.17 CCCCc1c[nH]ccc1=S 271570a_100020621405_200012280681 [0,1,0,0,0,0|3,0,0]=4 1103 B11R1.17 CCCCc1ccc[nH]c1=O 271570a_100020621405_100000050042 [0,1,0,0,0,0|3,0,0]=4 1104 B11R1.17 CCCCc1cccc[n+]1C 271570a_100020621405_100000212160 [0,1,0,0,0,0|1,0,1]=3 1105 B11R1.17 CCCCc1cccc[n+]1[O-] 271570a_100020621405_200000042595 [0,1,0,0,0,0|1,0,1]=3 1106 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [0,1,0,0,0,0|2,0,0]=3 1107 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [0,1,0,0,0,0|2,0,0]=3 1108 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [0,1,0,0,0,0|2,0,0]=3 1109 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [0,1,0,0,0,0|2,0,0]=3 1110 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [0,1,0,0,0,0|2,0,0]=3 1111 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [0,1,0,0,0,0|2,0,0]=3 1112 B11R1.17 CCCCc1cccnc1Br 271570a_100020621405_100010202626 [0,1,0,0,0,0|3,0,0]=4 1113 B11R1.17 CCCCc1cccnc1C 271570a_100020621405_100000751574 [0,1,0,0,0,0|3,0,0]=4 1114 B11R1.17 CCCCc1cccnc1Cl 271570a_100020621405_100000036424 [0,1,0,0,0,0|3,0,0]=4 1115 B11R1.17 CCCCc1cccnc1F 271570a_100020621405_100009816115 [0,1,0,0,0,0|3,0,0]=4 1116 B11R1.17 CCCCc1cccnc1N 271570a_100020621405_100000045569 [0,1,0,0,0,0|3,0,0]=4 1117 B11R1.17 CCCCc1ccncc1Br 271570a_100020621405_100000726257 [0,1,0,0,0,0|3,0,0]=4 1118 B11R1.17 CCCCc1ccncc1C 271570a_100020621405_100015191297 [0,1,0,0,0,0|3,0,0]=4 1119 B11R1.17 CCCCc1ccncc1Cl 271570a_100020621405_100000708259 [0,1,0,0,0,0|3,0,0]=4 1120 B11R1.17 CCCCc1ccncc1F 271570a_100020621405_100000047030 [0,1,0,0,0,0|3,0,0]=4 1121 B11R1.17 CCCCc1ccncc1N 271570a_100020621405_100009815883 [0,1,0,0,0,0|3,0,0]=4 1122 B11R1.17 CCCCc1ccncc1O 271570a_100020621405_100009817591 [0,1,0,0,0,0|3,0,0]=4 1123 B11R1.17 CCCCc1cnccc1Br 271570a_100020621405_100010138639 [0,1,0,0,0,0|3,0,0]=4 1124 B11R1.17 CCCCc1cnccc1C 271570a_100020621405_100000761580 [0,1,0,0,0,0|3,0,0]=4 1125 B11R1.17 CCCCc1cnccc1Cl 271570a_100020621405_100009995489 [0,1,0,0,0,0|3,0,0]=4 1126 B11R1.17 CCCCc1cnccc1F 271570a_100020621405_100009820683 [0,1,0,0,0,0|3,0,0]=4 1127 B11R1.17 CCCCc1cnccc1N 271570a_100020621405_100000047001 [0,1,0,0,0,0|3,0,0]=4 1128 B11R1.17 CCCCc1ncc[nH]c1=O 271570a_100020621405_100000763361 [0,1,0,0,0,0|2,0,0]=3 1129 B11R1.17 CCCCc1ncccc1Br 271570a_100020621405_100000696092 [0,1,0,0,0,0|1,0,0]=2 1130 B11R1.17 CCCCc1ncccc1C 271570a_100020621405_100000751373 [0,1,0,0,0,0|1,0,0]=2 1131 B11R1.17 CCCCc1ncccc1Cl 271570a_100020621405_100011356963 [0,1,0,0,0,0|1,0,0]=2 1132 B11R1.17 CCCCc1ncccc1F 271570a_100020621405_100000685392 [0,1,0,0,0,0|1,0,0]=2 1133 B11R1.17 CCCCc1ncccc1N 271570a_100020621405_100000688686 [0,1,0,0,0,0|1,0,0]=2 1134 B11R1.17 CCCCc1ncccc1O 271570a_100020621405_100000034122 [0,1,0,0,0,0|1,0,0]=2 1135 B11R1.17 CCCCc1nccnc1C 271570a_100020621405_100011999405 [0,1,0,0,0,0|2,0,0]=3 1136 B11R1.17 CCCCc1nccnc1F 271570a_100020621405_200010125657 [0,1,0,0,0,0|2,0,0]=3 1137 B11R1.17 CCCCc1nccnc1N 271570a_100020621405_100000747729 [0,1,0,0,0,0|2,0,0]=3 1138 B11R1.17 CCCCc1ncncc1C 271570a_100020621405_100011998708 [0,1,0,0,0,0|2,0,0]=3 1139 B11R1.17 CCCCc1ncncc1F 271570a_100020621405_100000069762 [0,1,0,0,0,0|2,0,0]=3 1140 B11R1.17 CCCCc1ncncc1N 271570a_100020621405_100000709731 [0,1,0,0,0,0|2,0,0]=3 1141 B11R1.17 CCCCc1ncncc1O 271570a_203496583355_200009816989 [0,1,0,0,0,0|2,0,0]=3 1142 B11R1.17 CCCCc1nnccc1C 271570a_100020621405_100000089043 [0,1,0,0,0,0|2,0,0]=3 1143 B11R1.17 CCCNc1ccccc1Br 34a_100000210017_100000210303 [0,1,0,0,0,0|3,0,0]=4 1144 B11R1.17 CCCNc1ccccc1C 34a_100015192222_100000210303 [0,1,0,0,0,0|3,0,0]=4 1145 B11R1.17 CCCNc1ccccc1Cl 34a_100000185783_100000210303 [0,1,0,0,0,0|3,0,0]=4 1146 B11R1.17 CCCNc1ccccc1F 34a_100000210422_100000210303 [0,1,0,0,0,0|3,0,0]=4 1147 B11R1.17 CCCNc1ccccc1I 34a_100000210053_100000210303 [0,1,0,0,0,0|3,0,0]=4 1148 B11R1.17 CCCNc1ccccc1O 34a_100000185747_100000210303 [0,1,0,0,0,0|3,0,0]=4 1149 B11R1.17 CCCOc1cccc[n+]1[O-] 7a_100000211761_100000210303 [0,1,0,0,0,0|2,0,1]=4 1150 B11R1.17 CCCOc1ccccc1Br 34a_100000181306_100000210303 [0,1,0,0,0,0|3,0,0]=4 1151 B11R1.17 CCCOc1ccccc1Br 7a_100000181306_100000210303 [0,1,0,0,0,0|3,0,0]=4 1152 B11R1.17 CCCOc1ccccc1C 34a_100000210338_100000210303 [0,1,0,0,0,0|3,0,0]=4 1153 B11R1.17 CCCOc1ccccc1C 7a_100000210338_100000210303 [0,1,0,0,0,0|3,0,0]=4 1154 B11R1.17 CCCOc1ccccc1Cl 34a_100000210172_100000210303 [0,1,0,0,0,0|3,0,0]=4 1155 B11R1.17 CCCOc1ccccc1Cl 7a_100000210172_100000210303 [0,1,0,0,0,0|3,0,0]=4 1156 B11R1.17 CCCOc1ccccc1F 34a_100000210171_100000210303 [0,1,0,0,0,0|3,0,0]=4 1157 B11R1.17 CCCOc1ccccc1F 7a_100000210171_100000210303 [0,1,0,0,0,0|3,0,0]=4 1158 B11R1.17 CCCOc1ccccc1I 34a_100000739446_100000210303 [0,1,0,0,0,0|3,0,0]=4 1159 B11R1.17 CCCOc1ccccc1I 7a_100000739446_100000210303 [0,1,0,0,0,0|3,0,0]=4 1160 B11R1.17 CCCOc1ccccc1N 34a_100000185747_100000210303 [0,1,0,0,0,0|3,0,0]=4 1161 B11R1.17 CCCOc1ccccc1N 7a_100000185747_100000210303 [0,1,0,0,0,0|3,0,0]=4 1162 B11R1.17 CCCOc1ccccc1O 271570a_203496583355_100000174042 [0,1,0,0,0,0|3,0,0]=4 1163 B11R1.17 CCCOc1ncccc1Cl 34a_100011290957_100000210303 [0,1,0,0,0,0|2,0,0]=3 1164 B11R1.17 CCCOc1ncccc1F 34a_100011219419_100000210303 [0,1,0,0,0,0|2,0,0]=3 1165 B11R1.17 CCCOc1ncccc1N 34a_100000746358_100000210303 [0,1,0,0,0,0|2,0,0]=3 1166 B11R1.17 CCCOc1ncccc1O 271570a_203496583355_200011465209 [0,1,0,0,0,0|2,0,0]=3 1167 B11R1.17 CCCOc1nccnc1C 34a_100000766352_100000210303 [0,1,0,0,0,0|3,0,0]=4 1168 B11R1.17 CCCSc1cccc[n+]1C 62a_100000210303_100000212160 [0,1,0,0,0,0|2,0,1]=4 1169 B11R1.17 CCCSc1cccc[n+]1[O-] 62a_100000210303_200000042595 [0,1,0,0,0,0|2,0,1]=4 1170 B11R1.17 CCCSc1ccccc1Br 62a_100000210303_100000695589 [0,1,0,0,0,0|3,0,0]=4 1171 B11R1.17 CCCSc1ccccc1Br 62a_100000695589_100000210303 [0,1,0,0,0,0|3,0,0]=4 1172 B11R1.17 CCCSc1ccccc1C 62a_100000210303_100000210755 [0,1,0,0,0,0|3,0,0]=4 1173 B11R1.17 CCCSc1ccccc1C 62a_100000210755_100000210303 [0,1,0,0,0,0|3,0,0]=4 1174 B11R1.17 CCCSc1ccccc1Cl 62a_100000210303_100000764095 [0,1,0,0,0,0|3,0,0]=4 1175 B11R1.17 CCCSc1ccccc1Cl 62a_100000764095_100000210303 [0,1,0,0,0,0|3,0,0]=4 1176 B11R1.17 CCCSc1ccccc1F 62a_100000210303_100011215700 [0,1,0,0,0,0|3,0,0]=4 1177 B11R1.17 CCCSc1ccccc1F 62a_100011215700_100000210303 [0,1,0,0,0,0|3,0,0]=4 1178 B11R1.17 CCCSc1ccccc1N 62a_100000210017_100000210303 [0,1,0,0,0,0|3,0,0]=4 1179 B11R1.17 CCCSc1ccccc1N 62a_100000210303_100000210017 [0,1,0,0,0,0|3,0,0]=4 1180 B11R1.17 CCCSc1ccccc1O 62a_100000210303_100000739446 [0,1,0,0,0,0|3,0,0]=4 1181 B11R1.17 CCCSc1ccccc1O 62a_100000739446_100000210303 [0,1,0,0,0,0|3,0,0]=4 1182 B11R1.17 CCCSc1ncc[nH]c1=O 62a_100000210303_100000763361 [0,1,0,0,0,0|3,0,0]=4 1183 B11R1.17 CCCSc1ncccc1Br 62a_100000210303_100000696092 [0,1,0,0,0,0|2,0,0]=3 1184 B11R1.17 CCCSc1ncccc1Br 62a_100000696092_100000210303 [0,1,0,0,0,0|2,0,0]=3 1185 B11R1.17 CCCSc1ncccc1C 62a_100000210303_100000751373 [0,1,0,0,0,0|2,0,0]=3 1186 B11R1.17 CCCSc1ncccc1C 62a_100000751373_100000210303 [0,1,0,0,0,0|2,0,0]=3 1187 B11R1.17 CCCSc1ncccc1Cl 62a_100000210303_100011356963 [0,1,0,0,0,0|2,0,0]=3 1188 B11R1.17 CCCSc1ncccc1Cl 62a_100011356963_100000210303 [0,1,0,0,0,0|2,0,0]=3 1189 B11R1.17 CCCSc1ncccc1F 62a_100000210303_100000685392 [0,1,0,0,0,0|2,0,0]=3 1190 B11R1.17 CCCSc1ncccc1F 62a_100000685392_100000210303 [0,1,0,0,0,0|2,0,0]=3 1191 B11R1.17 CCCSc1ncccc1N 62a_100000210303_100000688686 [0,1,0,0,0,0|2,0,0]=3 1192 B11R1.17 CCCSc1ncccc1N 62a_100000688686_100000210303 [0,1,0,0,0,0|2,0,0]=3 1193 B11R1.17 CCCSc1ncccc1O 62a_100000034122_100000210303 [0,1,0,0,0,0|2,0,0]=3 1194 B11R1.17 CCCSc1ncccc1O 62a_100000210303_100000034122 [0,1,0,0,0,0|2,0,0]=3 1195 B11R1.17 CCCSc1nccnc1C 62a_100000210303_100011999405 [0,1,0,0,0,0|3,0,0]=4 1196 B11R1.17 CCCSc1nccnc1C 62a_100011999405_100000210303 [0,1,0,0,0,0|3,0,0]=4 1197 B11R1.17 CCCSc1nccnc1Cl 62a_100000210303_100010886584 [0,1,0,0,0,0|3,0,0]=4 1198 B11R1.17 CCCSc1nccnc1Cl 62a_100010886584_100000210303 [0,1,0,0,0,0|3,0,0]=4 1199 B11R1.17 CCCSc1nccnc1F 62a_100000210303_200010125657 [0,1,0,0,0,0|3,0,0]=4 1200 B11R1.17 CCCSc1nccnc1F 62a_200010125657_100000210303 [0,1,0,0,0,0|3,0,0]=4 1201 B11R1.17 CCCSc1nccnc1N 62a_100000210303_100000747729 [0,1,0,0,0,0|3,0,0]=4 1202 B11R1.17 CCCSc1nccnc1N 62a_100000747729_100000210303 [0,1,0,0,0,0|3,0,0]=4 1203 B11R1.17 CCCSc1ncncc1C 62a_100000210303_100011998708 [0,1,0,0,0,0|3,0,0]=4 1204 B11R1.17 CCCSc1ncncc1C 62a_100011998708_100000210303 [0,1,0,0,0,0|3,0,0]=4 1205 B11R1.17 CCCSc1ncncc1F 62a_100000069762_100000210303 [0,1,0,0,0,0|3,0,0]=4 1206 B11R1.17 CCCSc1ncncc1F 62a_100000210303_100000069762 [0,1,0,0,0,0|3,0,0]=4 1207 B11R1.17 CCCSc1ncncc1N 62a_100000210303_100000709731 [0,1,0,0,0,0|3,0,0]=4 1208 B11R1.17 CCCSc1ncncc1N 62a_100000709731_100000210303 [0,1,0,0,0,0|3,0,0]=4 1209 B11R1.17 CCCSc1nnccc1C 62a_100000210303_100000089043 [0,1,0,0,0,0|3,0,0]=4 1210 B11R1.17 CCNCc1ccccc1Br 207a_100015525214_100000211189 [0,1,0,0,0,0|3,0,0]=4 1211 B11R1.17 CCNCc1ccccc1Br 2230a_100000689332_100000210202 [0,1,0,0,0,0|3,0,0]=4 1212 B11R1.17 CCNCc1ccccc1Br 2230a_100015525214_100000184730 [0,1,0,0,0,0|3,0,0]=4 1213 B11R1.17 CCNCc1ccccc1Br 270004a_100015525214_100000211189 [0,1,0,0,0,0|3,0,0]=4 1214 B11R1.17 CCNCc1ccccc1Br 34a_100000689332_100000210202 [0,1,0,0,0,0|3,0,0]=4 1215 B11R1.17 CCNCc1ccccc1C 207a_100015525214_100000211143 [0,1,0,0,0,0|3,0,0]=4 1216 B11R1.17 CCNCc1ccccc1C 2230a_100015525214_100000211839 [0,1,0,0,0,0|3,0,0]=4 1217 B11R1.17 CCNCc1ccccc1C 270004a_100015525214_100000211143 [0,1,0,0,0,0|3,0,0]=4 1218 B11R1.17 CCNCc1ccccc1C 34a_100000174972_100000210202 [0,1,0,0,0,0|3,0,0]=4 1219 B11R1.17 CCNCc1ccccc1Cl 207a_100015525214_100000210073 [0,1,0,0,0,0|3,0,0]=4 1220 B11R1.17 CCNCc1ccccc1Cl 2230a_100000174879_100000210202 [0,1,0,0,0,0|3,0,0]=4 1221 B11R1.17 CCNCc1ccccc1Cl 2230a_100015525214_100000187162 [0,1,0,0,0,0|3,0,0]=4 1222 B11R1.17 CCNCc1ccccc1Cl 270004a_100015525214_100000210073 [0,1,0,0,0,0|3,0,0]=4 1223 B11R1.17 CCNCc1ccccc1Cl 34a_100000174879_100000210202 [0,1,0,0,0,0|3,0,0]=4 1224 B11R1.17 CCNCc1ccccc1F 207a_100015525214_100000210811 [0,1,0,0,0,0|3,0,0]=4 1225 B11R1.17 CCNCc1ccccc1F 2230a_100015525214_100000211605 [0,1,0,0,0,0|3,0,0]=4 1226 B11R1.17 CCNCc1ccccc1F 270004a_100015525214_100000210811 [0,1,0,0,0,0|3,0,0]=4 1227 B11R1.17 CCNCc1ccccc1F 34a_100000174869_100000210202 [0,1,0,0,0,0|3,0,0]=4 1228 B11R1.17 CCNCc1ccccc1I 207a_100015525214_100000010305 [0,1,0,0,0,0|3,0,0]=4 1229 B11R1.17 CCNCc1ccccc1I 2230a_100015525214_100011215278 [0,1,0,0,0,0|3,0,0]=4 1230 B11R1.17 CCNCc1ccccc1I 270004a_100015525214_100000010305 [0,1,0,0,0,0|3,0,0]=4 1231 B11R1.17 CCNCc1ccccc1O 34a_100000185550_100000210202 [0,1,0,0,0,0|3,0,0]=4 1232 B11R1.17 CCNCc1ncccc1Br 207a_100015525214_100011934733 [0,1,0,0,0,0|2,0,0]=3 1233 B11R1.17 CCNCc1ncccc1Br 2230a_100015525214_100025702911 [0,1,0,0,0,0|2,0,0]=3 1234 B11R1.17 CCNCc1ncccc1Br 270004a_100015525214_100011934733 [0,1,0,0,0,0|2,0,0]=3 1235 B11R1.17 CCNCc1ncccc1C 207a_100015525214_100000698913 [0,1,0,0,0,0|2,0,0]=3 1236 B11R1.17 CCNCc1ncccc1C 2230a_100015525214_100000696600 [0,1,0,0,0,0|2,0,0]=3 1237 B11R1.17 CCNCc1ncccc1C 270004a_100015525214_100000698913 [0,1,0,0,0,0|2,0,0]=3 1238 B11R1.17 CCNCc1ncccc1C 34a_100011223789_100000210202 [0,1,0,0,0,0|2,0,0]=3 1239 B11R1.17 CCNCc1ncccc1Cl 207a_100015525214_100012001307 [0,1,0,0,0,0|2,0,0]=3 1240 B11R1.17 CCNCc1ncccc1Cl 2230a_100015189233_100000210202 [0,1,0,0,0,0|2,0,0]=3 1241 B11R1.17 CCNCc1ncccc1Cl 2230a_100015525214_100000099807 [0,1,0,0,0,0|2,0,0]=3 1242 B11R1.17 CCNCc1ncccc1Cl 270004a_100015525214_100012001307 [0,1,0,0,0,0|2,0,0]=3 1243 B11R1.17 CCNCc1ncccc1F 207a_100015525214_100011934734 [0,1,0,0,0,0|2,0,0]=3 1244 B11R1.17 CCNCc1ncccc1F 2230a_100015525214_100000104219 [0,1,0,0,0,0|2,0,0]=3 1245 B11R1.17 CCNCc1ncccc1F 270004a_100015525214_100011934734 [0,1,0,0,0,0|2,0,0]=3 1246 B11R1.17 CCNCc1ncccc1F 34a_100000690088_100000210202 [0,1,0,0,0,0|2,0,0]=3 1247 B11R1.17 CCNCc1nccnc1C 2230a_100020641712_100000210202 [0,1,0,0,0,0|3,0,0]=4 1248 B11R1.17 CCNCc1nccnc1C 270004a_100015525214_100000050726 [0,1,0,0,0,0|3,0,0]=4 1249 B11R1.17 CCNCc1nccnc1C 34a_100020641712_100000210202 [0,1,0,0,0,0|3,0,0]=4 1250 B11R1.17 CCNCc1nccnc1Cl 2230a_100000729963_100000210202 [0,1,0,0,0,0|3,0,0]=4 1251 B11R1.17 CCOCc1ccccc1Br 34a_100000756307_100000210202 [0,1,0,0,0,0|3,0,0]=4 1252 B11R1.17 CCOCc1ccccc1Br 34a_100121572206_100000184730 [0,1,0,0,0,0|3,0,0]=4 1253 B11R1.17 CCOCc1ccccc1Br 7a_100000756307_100000210202 [0,1,0,0,0,0|3,0,0]=4 1254 B11R1.17 CCOCc1ccccc1C 34a_100000698903_100000210202 [0,1,0,0,0,0|3,0,0]=4 1255 B11R1.17 CCOCc1ccccc1C 34a_100121572206_100000211839 [0,1,0,0,0,0|3,0,0]=4 1256 B11R1.17 CCOCc1ccccc1C 7a_100000698903_100000210202 [0,1,0,0,0,0|3,0,0]=4 1257 B11R1.17 CCOCc1ccccc1Cl 34a_100000210847_100000210202 [0,1,0,0,0,0|3,0,0]=4 1258 B11R1.17 CCOCc1ccccc1Cl 34a_100121572206_100000187162 [0,1,0,0,0,0|3,0,0]=4 1259 B11R1.17 CCOCc1ccccc1Cl 7a_100000210847_100000210202 [0,1,0,0,0,0|3,0,0]=4 1260 B11R1.17 CCOCc1ccccc1F 34a_100000211962_100000210202 [0,1,0,0,0,0|3,0,0]=4 1261 B11R1.17 CCOCc1ccccc1F 34a_100121572206_100000211605 [0,1,0,0,0,0|3,0,0]=4 1262 B11R1.17 CCOCc1ccccc1F 7a_100000211962_100000210202 [0,1,0,0,0,0|3,0,0]=4 1263 B11R1.17 CCOCc1ccccc1I 34a_100000187465_100000210202 [0,1,0,0,0,0|3,0,0]=4 1264 B11R1.17 CCOCc1ccccc1I 34a_100121572206_100011215278 [0,1,0,0,0,0|3,0,0]=4 1265 B11R1.17 CCOCc1ccccc1I 7a_100000187465_100000210202 [0,1,0,0,0,0|3,0,0]=4 1266 B11R1.17 CCOCc1ccccc1N 34a_100000212039_100000210202 [0,1,0,0,0,0|3,0,0]=4 1267 B11R1.17 CCOCc1ccccc1O 271570a_203496583355_200011493690 [0,1,0,0,0,0|3,0,0]=4 1268 B11R1.17 CCOCc1ncccc1Br 34a_100011996772_100000210202 [0,1,0,0,0,0|2,0,0]=3 1269 B11R1.17 CCOCc1ncccc1Br 34a_100121572206_100025702911 [0,1,0,0,0,0|2,0,0]=3 1270 B11R1.17 CCOCc1ncccc1C 34a_100000698912_100000210202 [0,1,0,0,0,0|2,0,0]=3 1271 B11R1.17 CCOCc1ncccc1C 34a_100121572206_100000696600 [0,1,0,0,0,0|2,0,0]=3 1272 B11R1.17 CCOCc1ncccc1Cl 34a_100012002383_100000210202 [0,1,0,0,0,0|2,0,0]=3 1273 B11R1.17 CCOCc1ncccc1F 34a_100011934865_100000210202 [0,1,0,0,0,0|2,0,0]=3 1274 B11R1.17 CCOCc1ncccc1F 34a_100121572206_100000104219 [0,1,0,0,0,0|2,0,0]=3 1275 B11R1.17 CCOCc1ncccc1N 34a_114873767017_100000210202 [0,1,0,0,0,0|2,0,0]=3 1276 B11R1.17 CCOCc1ncccc1O 34a_100121572206_200020655725 [0,1,0,0,0,0|2,0,0]=3 1277 B11R1.17 CCOCc1nccnc1Cl 34a_100000057004_100000210202 [0,1,0,0,0,0|3,0,0]=4 1278 B11R1.17 CCSCc1ccccc1Br 62a_100000184730_100000210202 [0,1,0,0,0,0|3,0,0]=4 1279 B11R1.17 CCSCc1ccccc1Br 62a_100000210202_100000184730 [0,1,0,0,0,0|3,0,0]=4 1280 B11R1.17 CCSCc1ccccc1C 62a_100000210202_100000211839 [0,1,0,0,0,0|3,0,0]=4 1281 B11R1.17 CCSCc1ccccc1C 62a_100000211839_100000210202 [0,1,0,0,0,0|3,0,0]=4 1282 B11R1.17 CCSCc1ccccc1Cl 62a_100000187162_100000210202 [0,1,0,0,0,0|3,0,0]=4 1283 B11R1.17 CCSCc1ccccc1Cl 62a_100000210202_100000187162 [0,1,0,0,0,0|3,0,0]=4 1284 B11R1.17 CCSCc1ccccc1F 62a_100000210202_100000211605 [0,1,0,0,0,0|3,0,0]=4 1285 B11R1.17 CCSCc1ccccc1F 62a_100000211605_100000210202 [0,1,0,0,0,0|3,0,0]=4 1286 B11R1.17 CCSCc1ccccc1I 62a_100000210202_100011216222 [0,1,0,0,0,0|3,0,0]=4 1287 B11R1.17 CCSCc1ccccc1I 62a_100011216222_100000210202 [0,1,0,0,0,0|3,0,0]=4 1288 B11R1.17 CCSCc1ccccc1O 271570a_203496583355_200000173030 [0,1,0,0,0,0|3,0,0]=4 1289 B11R1.17 CCSCc1ncccc1Br 62a_100000210202_100025702911 [0,1,0,0,0,0|2,0,0]=3 1290 B11R1.17 CCSCc1ncccc1Br 62a_100025702911_100000210202 [0,1,0,0,0,0|2,0,0]=3 1291 B11R1.17 CCSCc1ncccc1C 62a_100000210202_100000696600 [0,1,0,0,0,0|2,0,0]=3 1292 B11R1.17 CCSCc1ncccc1C 62a_100000696600_100000210202 [0,1,0,0,0,0|2,0,0]=3 1293 B11R1.17 CCSCc1ncccc1Cl 62a_100000099807_100000210202 [0,1,0,0,0,0|2,0,0]=3 1294 B11R1.17 CCSCc1ncccc1Cl 62a_100000210202_100000099807 [0,1,0,0,0,0|2,0,0]=3 1295 B11R1.17 CCSCc1ncccc1F 62a_100000104219_100000210202 [0,1,0,0,0,0|2,0,0]=3 1296 B11R1.17 CCSCc1ncccc1F 62a_100000210202_100000104219 [0,1,0,0,0,0|2,0,0]=3 1297 B11R1.17 CCSCc1ncccc1O 62a_100000210202_200020655725 [0,1,0,0,0,0|2,0,0]=3 1298 B11R1.17 CCSCc1ncccc1O 62a_200020655725_100000210202 [0,1,0,0,0,0|2,0,0]=3 1299 B11R1.17 CNCCc1ccccc1Br 2230a_100000747383_200000210301 [0,1,0,0,0,0|1,0,0]=2 1300 B11R1.17 CNCCc1ccccc1Br 2230a_106832991635_100012161201 [0,1,0,0,0,0|1,0,0]=2 1301 B11R1.17 CNCCc1ccccc1Br 34a_100000747383_200000210301 [0,1,0,0,0,0|1,0,0]=2 1302 B11R1.17 CNCCc1ccccc1Br 34a_100102657272_100012161201 [0,1,0,0,0,0|1,0,0]=2 1303 B11R1.17 CNCCc1ccccc1Br 7a_106832991635_100012161201 [0,1,0,0,0,0|1,0,0]=2 1304 B11R1.17 CNCCc1ccccc1C 2230a_100000685071_200000210301 [0,1,0,0,0,0|1,0,0]=2 1305 B11R1.17 CNCCc1ccccc1C 2230a_106832991635_100011713688 [0,1,0,0,0,0|1,0,0]=2 1306 B11R1.17 CNCCc1ccccc1C 34a_100000685071_200000210301 [0,1,0,0,0,0|1,0,0]=2 1307 B11R1.17 CNCCc1ccccc1C 34a_100102657272_100011713688 [0,1,0,0,0,0|1,0,0]=2 1308 B11R1.17 CNCCc1ccccc1C 7a_106832991635_100011713688 [0,1,0,0,0,0|1,0,0]=2 1309 B11R1.17 CNCCc1ccccc1Cl 2230a_100011207228_200000210301 [0,1,0,0,0,0|1,0,0]=2 1310 B11R1.17 CNCCc1ccccc1Cl 2230a_106832991635_100011713703 [0,1,0,0,0,0|1,0,0]=2 1311 B11R1.17 CNCCc1ccccc1Cl 270004a_106832991635_200011713468 [0,1,0,0,0,0|1,0,0]=2 1312 B11R1.17 CNCCc1ccccc1Cl 34a_100011207228_200000210301 [0,1,0,0,0,0|1,0,0]=2 1313 B11R1.17 CNCCc1ccccc1Cl 34a_100102657272_100011713703 [0,1,0,0,0,0|1,0,0]=2 1314 B11R1.17 CNCCc1ccccc1Cl 7a_106832991635_100011713703 [0,1,0,0,0,0|1,0,0]=2 1315 B11R1.17 CNCCc1ccccc1F 2230a_100000185272_200000210301 [0,1,0,0,0,0|1,0,0]=2 1316 B11R1.17 CNCCc1ccccc1F 2230a_106832991635_100011713696 [0,1,0,0,0,0|1,0,0]=2 1317 B11R1.17 CNCCc1ccccc1F 34a_100000185272_200000210301 [0,1,0,0,0,0|1,0,0]=2 1318 B11R1.17 CNCCc1ccccc1F 34a_100102657272_100000720011 [0,1,0,0,0,0|1,0,0]=2 1319 B11R1.17 CNCCc1ccccc1F 7a_106832991635_100000720011 [0,1,0,0,0,0|1,0,0]=2 1320 B11R1.17 CNCCc1ccccc1O 34a_100011207237_200000210301 [0,1,0,0,0,0|1,0,0]=2 1321 B11R1.17 CNCCc1ccccc1O 34a_100102657272_100000722297 [0,1,0,0,0,0|1,0,0]=2 1322 B11R1.17 CNCCc1ccccc1O 7a_106832991635_100000722297 [0,1,0,0,0,0|1,0,0]=2 1323 B11R1.17 CNCCn1ccccc1=O 2230a_100000687133_200000210301 [0,1,0,0,0,0|2,0,0]=3 1324 B11R1.17 COCCc1ccccc1Br 34a_100000731337_200000210301 [0,1,0,0,0,0|2,0,0]=3 1325 B11R1.17 COCCc1ccccc1Br 34a_100138415774_100012161201 [0,1,0,0,0,0|2,0,0]=3 1326 B11R1.17 COCCc1ccccc1Br 7a_100000731337_200000210301 [0,1,0,0,0,0|2,0,0]=3 1327 B11R1.17 COCCc1ccccc1C 34a_100011220023_200000210301 [0,1,0,0,0,0|2,0,0]=3 1328 B11R1.17 COCCc1ccccc1C 34a_100138415774_100011713688 [0,1,0,0,0,0|2,0,0]=3 1329 B11R1.17 COCCc1ccccc1C 7a_100011220023_200000210301 [0,1,0,0,0,0|2,0,0]=3 1330 B11R1.17 COCCc1ccccc1Cl 34a_100011215284_200000210301 [0,1,0,0,0,0|2,0,0]=3 1331 B11R1.17 COCCc1ccccc1Cl 34a_100138415774_100011713703 [0,1,0,0,0,0|2,0,0]=3 1332 B11R1.17 COCCc1ccccc1Cl 7a_100011215284_200000210301 [0,1,0,0,0,0|2,0,0]=3 1333 B11R1.17 COCCc1ccccc1F 34a_100000753711_200000210301 [0,1,0,0,0,0|2,0,0]=3 1334 B11R1.17 COCCc1ccccc1F 34a_100138415774_100000720011 [0,1,0,0,0,0|2,0,0]=3 1335 B11R1.17 COCCc1ccccc1F 7a_100000753711_200000210301 [0,1,0,0,0,0|2,0,0]=3 1336 B11R1.17 COCCc1ccccc1I 34a_100010255290_200000210301 [0,1,0,0,0,0|2,0,0]=3 1337 B11R1.17 COCCc1ccccc1I 7a_100010255290_200000210301 [0,1,0,0,0,0|2,0,0]=3 1338 B11R1.17 COCCc1ccccc1N 34a_100011215289_200000210301 [0,1,0,0,0,0|2,0,0]=3 1339 B11R1.17 COCCc1ccccc1O 34a_100138415774_100000722297 [0,1,0,0,0,0|2,0,0]=3 1340 B11R1.17 COCCc1ncccc1C 34a_100011997706_200000210301 [0,1,0,0,0,0|1,0,0]=2 1341 B11R1.17 COCCc1ncccc1C 7a_100011997706_200000210301 [0,1,0,0,0,0|1,0,0]=2 1342 B11R1.17 COCOc1ccccc1O 271570a_203496583355_200000230759 [0,1,0,0,0,0|3,0,0]=4 1343 B11R1.17 COCSc1cccc[n+]1C 62a_100000766300_100000212160 [0,1,0,0,0,0|2,0,1]=4 1344 B11R1.17 COCSc1cccc[n+]1[O-] 62a_100000766300_200000042595 [0,1,0,0,0,0|2,0,1]=4 1345 B11R1.17 COCSc1ccccc1Br 62a_100000695589_100000766300 [0,1,0,0,0,0|3,0,0]=4 1346 B11R1.17 COCSc1ccccc1Br 62a_100000766300_100000695589 [0,1,0,0,0,0|3,0,0]=4 1347 B11R1.17 COCSc1ccccc1C 62a_100000210755_100000766300 [0,1,0,0,0,0|3,0,0]=4 1348 B11R1.17 COCSc1ccccc1C 62a_100000766300_100000210755 [0,1,0,0,0,0|3,0,0]=4 1349 B11R1.17 COCSc1ccccc1Cl 62a_100000764095_100000766300 [0,1,0,0,0,0|3,0,0]=4 1350 B11R1.17 COCSc1ccccc1Cl 62a_100000766300_100000764095 [0,1,0,0,0,0|3,0,0]=4 1351 B11R1.17 COCSc1ccccc1F 62a_100000766300_100011215700 [0,1,0,0,0,0|3,0,0]=4 1352 B11R1.17 COCSc1ccccc1F 62a_100011215700_100000766300 [0,1,0,0,0,0|3,0,0]=4 1353 B11R1.17 COCSc1ccccc1N 62a_100000210017_100000766300 [0,1,0,0,0,0|3,0,0]=4 1354 B11R1.17 COCSc1ccccc1N 62a_100000766300_100000210017 [0,1,0,0,0,0|3,0,0]=4 1355 B11R1.17 COCSc1ccccc1O 62a_100000739446_100000766300 [0,1,0,0,0,0|3,0,0]=4 1356 B11R1.17 COCSc1ccccc1O 62a_100000766300_100000739446 [0,1,0,0,0,0|3,0,0]=4 1357 B11R1.17 COCSc1ncc[nH]c1=O 62a_100000766300_100000763361 [0,1,0,0,0,0|3,0,0]=4 1358 B11R1.17 COCSc1ncccc1Br 62a_100000696092_100000766300 [0,1,0,0,0,0|2,0,0]=3 1359 B11R1.17 COCSc1ncccc1Br 62a_100000766300_100000696092 [0,1,0,0,0,0|2,0,0]=3 1360 B11R1.17 COCSc1ncccc1C 62a_100000751373_100000766300 [0,1,0,0,0,0|2,0,0]=3 1361 B11R1.17 COCSc1ncccc1C 62a_100000766300_100000751373 [0,1,0,0,0,0|2,0,0]=3 1362 B11R1.17 COCSc1ncccc1Cl 62a_100000766300_100011356963 [0,1,0,0,0,0|2,0,0]=3 1363 B11R1.17 COCSc1ncccc1Cl 62a_100011356963_100000766300 [0,1,0,0,0,0|2,0,0]=3 1364 B11R1.17 COCSc1ncccc1F 62a_100000685392_100000766300 [0,1,0,0,0,0|2,0,0]=3 1365 B11R1.17 COCSc1ncccc1F 62a_100000766300_100000685392 [0,1,0,0,0,0|2,0,0]=3 1366 B11R1.17 COCSc1ncccc1N 62a_100000688686_100000766300 [0,1,0,0,0,0|2,0,0]=3 1367 B11R1.17 COCSc1ncccc1N 62a_100000766300_100000688686 [0,1,0,0,0,0|2,0,0]=3 1368 B11R1.17 COCSc1ncccc1O 62a_100000034122_100000766300 [0,1,0,0,0,0|2,0,0]=3 1369 B11R1.17 COCSc1ncccc1O 62a_100000766300_100000034122 [0,1,0,0,0,0|2,0,0]=3 1370 B11R1.17 COCSc1nccnc1C 62a_100000766300_100011999405 [0,1,0,0,0,0|3,0,0]=4 1371 B11R1.17 COCSc1nccnc1C 62a_100011999405_100000766300 [0,1,0,0,0,0|3,0,0]=4 1372 B11R1.17 COCSc1nccnc1Cl 62a_100000766300_100010886584 [0,1,0,0,0,0|3,0,0]=4 1373 B11R1.17 COCSc1nccnc1Cl 62a_100010886584_100000766300 [0,1,0,0,0,0|3,0,0]=4 1374 B11R1.17 COCSc1nccnc1F 62a_100000766300_200010125657 [0,1,0,0,0,0|3,0,0]=4 1375 B11R1.17 COCSc1nccnc1F 62a_200010125657_100000766300 [0,1,0,0,0,0|3,0,0]=4 1376 B11R1.17 COCSc1nccnc1N 62a_100000747729_100000766300 [0,1,0,0,0,0|3,0,0]=4 1377 B11R1.17 COCSc1nccnc1N 62a_100000766300_100000747729 [0,1,0,0,0,0|3,0,0]=4 1378 B11R1.17 COCSc1ncncc1C 62a_100000766300_100011998708 [0,1,0,0,0,0|3,0,0]=4 1379 B11R1.17 COCSc1ncncc1C 62a_100011998708_100000766300 [0,1,0,0,0,0|3,0,0]=4 1380 B11R1.17 COCSc1ncncc1F 62a_100000069762_100000766300 [0,1,0,0,0,0|3,0,0]=4 1381 B11R1.17 COCSc1ncncc1F 62a_100000766300_100000069762 [0,1,0,0,0,0|3,0,0]=4 1382 B11R1.17 COCSc1ncncc1N 62a_100000709731_100000766300 [0,1,0,0,0,0|3,0,0]=4 1383 B11R1.17 COCSc1ncncc1N 62a_100000766300_100000709731 [0,1,0,0,0,0|3,0,0]=4 1384 B11R1.17 COCSc1nnccc1C 62a_100000766300_100000089043 [0,1,0,0,0,0|3,0,0]=4 1385 B11R1.17 CSCCc1ccccc1Br 62a_100012161201_200000210301 [0,1,0,0,0,0|2,0,0]=3 1386 B11R1.17 CSCCc1ccccc1Br 62a_200000210301_100012161201 [0,1,0,0,0,0|2,0,0]=3 1387 B11R1.17 CSCCc1ccccc1C 62a_100011713688_200000210301 [0,1,0,0,0,0|2,0,0]=3 1388 B11R1.17 CSCCc1ccccc1C 62a_200000210301_100011713688 [0,1,0,0,0,0|2,0,0]=3 1389 B11R1.17 CSCCc1ccccc1Cl 62a_100011713703_200000210301 [0,1,0,0,0,0|2,0,0]=3 1390 B11R1.17 CSCCc1ccccc1Cl 62a_200000210301_100011713703 [0,1,0,0,0,0|2,0,0]=3 1391 B11R1.17 CSCCc1ccccc1F 62a_100011713696_200000210301 [0,1,0,0,0,0|2,0,0]=3 1392 B11R1.17 CSCCc1ccccc1F 62a_200000210301_100011713696 [0,1,0,0,0,0|2,0,0]=3 1393 B11R1.17 CSCCc1ccccc1O 62a_100000722297_200000210301 [0,1,0,0,0,0|2,0,0]=3 1394 B11R1.17 CSCCc1ccccc1O 62a_200000210301_100000722297 [0,1,0,0,0,0|2,0,0]=3 1395 B11R1.17 CSCNc1ccccc1Br 34a_100000210017_100011218213 [0,1,0,0,0,0|3,0,0]=4 1396 B11R1.17 CSCNc1ccccc1C 34a_100015192222_100011218213 [0,1,0,0,0,0|3,0,0]=4 1397 B11R1.17 CSCNc1ccccc1Cl 34a_100000185783_100011218213 [0,1,0,0,0,0|3,0,0]=4 1398 B11R1.17 CSCNc1ccccc1F 34a_100000210422_100011218213 [0,1,0,0,0,0|3,0,0]=4 1399 B11R1.17 CSCNc1ccccc1I 34a_100000210053_100011218213 [0,1,0,0,0,0|3,0,0]=4 1400 B11R1.17 CSCNc1ccccc1O 34a_100000185747_100011218213 [0,1,0,0,0,0|3,0,0]=4 1401 B11R1.17 CSCOc1ccccc1Br 34a_100000181306_100011218213 [0,1,0,0,0,0|3,0,0]=4 1402 B11R1.17 CSCOc1ccccc1C 34a_100000210338_100011218213 [0,1,0,0,0,0|3,0,0]=4 1403 B11R1.17 CSCOc1ccccc1Cl 34a_100000210172_100011218213 [0,1,0,0,0,0|3,0,0]=4 1404 B11R1.17 CSCOc1ccccc1F 34a_100000210171_100011218213 [0,1,0,0,0,0|3,0,0]=4 1405 B11R1.17 CSCOc1ccccc1I 34a_100000739446_100011218213 [0,1,0,0,0,0|3,0,0]=4 1406 B11R1.17 CSCOc1ccccc1N 34a_100000185747_100011218213 [0,1,0,0,0,0|3,0,0]=4 1407 B11R1.17 CSCOc1ncccc1Cl 34a_100011290957_100011218213 [0,1,0,0,0,0|2,0,0]=3 1408 B11R1.17 CSCOc1ncccc1F 34a_100011219419_100011218213 [0,1,0,0,0,0|2,0,0]=3 1409 B11R1.17 CSCOc1ncccc1N 34a_100000746358_100011218213 [0,1,0,0,0,0|2,0,0]=3 1410 B11R1.17 CSCOc1nccnc1C 34a_100000766352_100011218213 [0,1,0,0,0,0|3,0,0]=4 1411 B11R1.17 CSCSc1cccc[n+]1C 62a_100011218213_100000212160 [0,1,0,0,0,0|2,0,1]=4 1412 B11R1.17 CSCSc1cccc[n+]1[O-] 62a_100011218213_200000042595 [0,1,0,0,0,0|2,0,1]=4 1413 B11R1.17 CSCSc1ccccc1Br 62a_100000695589_100011218213 [0,1,0,0,0,0|3,0,0]=4 1414 B11R1.17 CSCSc1ccccc1Br 62a_100011218213_100000695589 [0,1,0,0,0,0|3,0,0]=4 1415 B11R1.17 CSCSc1ccccc1C 62a_100000210755_100011218213 [0,1,0,0,0,0|3,0,0]=4 1416 B11R1.17 CSCSc1ccccc1C 62a_100011218213_100000210755 [0,1,0,0,0,0|3,0,0]=4 1417 B11R1.17 CSCSc1ccccc1Cl 62a_100000764095_100011218213 [0,1,0,0,0,0|3,0,0]=4 1418 B11R1.17 CSCSc1ccccc1Cl 62a_100011218213_100000764095 [0,1,0,0,0,0|3,0,0]=4 1419 B11R1.17 CSCSc1ccccc1F 62a_100011215700_100011218213 [0,1,0,0,0,0|3,0,0]=4 1420 B11R1.17 CSCSc1ccccc1F 62a_100011218213_100011215700 [0,1,0,0,0,0|3,0,0]=4 1421 B11R1.17 CSCSc1ccccc1N 62a_100000210017_100011218213 [0,1,0,0,0,0|3,0,0]=4 1422 B11R1.17 CSCSc1ccccc1N 62a_100011218213_100000210017 [0,1,0,0,0,0|3,0,0]=4 1423 B11R1.17 CSCSc1ccccc1O 62a_100000739446_100011218213 [0,1,0,0,0,0|3,0,0]=4 1424 B11R1.17 CSCSc1ccccc1O 62a_100011218213_100000739446 [0,1,0,0,0,0|3,0,0]=4 1425 B11R1.17 CSCSc1ncc[nH]c1=O 62a_100011218213_100000763361 [0,1,0,0,0,0|3,0,0]=4 1426 B11R1.17 CSCSc1ncccc1Br 62a_100000696092_100011218213 [0,1,0,0,0,0|2,0,0]=3 1427 B11R1.17 CSCSc1ncccc1Br 62a_100011218213_100000696092 [0,1,0,0,0,0|2,0,0]=3 1428 B11R1.17 CSCSc1ncccc1C 62a_100000751373_100011218213 [0,1,0,0,0,0|2,0,0]=3 1429 B11R1.17 CSCSc1ncccc1C 62a_100011218213_100000751373 [0,1,0,0,0,0|2,0,0]=3 1430 B11R1.17 CSCSc1ncccc1Cl 62a_100011218213_100011356963 [0,1,0,0,0,0|2,0,0]=3 1431 B11R1.17 CSCSc1ncccc1Cl 62a_100011356963_100011218213 [0,1,0,0,0,0|2,0,0]=3 1432 B11R1.17 CSCSc1ncccc1F 62a_100000685392_100011218213 [0,1,0,0,0,0|2,0,0]=3 1433 B11R1.17 CSCSc1ncccc1F 62a_100011218213_100000685392 [0,1,0,0,0,0|2,0,0]=3 1434 B11R1.17 CSCSc1ncccc1N 62a_100000688686_100011218213 [0,1,0,0,0,0|2,0,0]=3 1435 B11R1.17 CSCSc1ncccc1N 62a_100011218213_100000688686 [0,1,0,0,0,0|2,0,0]=3 1436 B11R1.17 CSCSc1ncccc1O 62a_100000034122_100011218213 [0,1,0,0,0,0|2,0,0]=3 1437 B11R1.17 CSCSc1ncccc1O 62a_100011218213_100000034122 [0,1,0,0,0,0|2,0,0]=3 1438 B11R1.17 CSCSc1nccnc1C 62a_100011218213_100011999405 [0,1,0,0,0,0|3,0,0]=4 1439 B11R1.17 CSCSc1nccnc1C 62a_100011999405_100011218213 [0,1,0,0,0,0|3,0,0]=4 1440 B11R1.17 CSCSc1nccnc1Cl 62a_100010886584_100011218213 [0,1,0,0,0,0|3,0,0]=4 1441 B11R1.17 CSCSc1nccnc1Cl 62a_100011218213_100010886584 [0,1,0,0,0,0|3,0,0]=4 1442 B11R1.17 CSCSc1nccnc1F 62a_100011218213_200010125657 [0,1,0,0,0,0|3,0,0]=4 1443 B11R1.17 CSCSc1nccnc1F 62a_200010125657_100011218213 [0,1,0,0,0,0|3,0,0]=4 1444 B11R1.17 CSCSc1nccnc1N 62a_100000747729_100011218213 [0,1,0,0,0,0|3,0,0]=4 1445 B11R1.17 CSCSc1nccnc1N 62a_100011218213_100000747729 [0,1,0,0,0,0|3,0,0]=4 1446 B11R1.17 CSCSc1ncncc1C 62a_100011218213_100011998708 [0,1,0,0,0,0|3,0,0]=4 1447 B11R1.17 CSCSc1ncncc1C 62a_100011998708_100011218213 [0,1,0,0,0,0|3,0,0]=4 1448 B11R1.17 CSCSc1ncncc1F 62a_100000069762_100011218213 [0,1,0,0,0,0|3,0,0]=4 1449 B11R1.17 CSCSc1ncncc1F 62a_100011218213_100000069762 [0,1,0,0,0,0|3,0,0]=4 1450 B11R1.17 CSCSc1ncncc1N 62a_100000709731_100011218213 [0,1,0,0,0,0|3,0,0]=4 1451 B11R1.17 CSCSc1ncncc1N 62a_100011218213_100000709731 [0,1,0,0,0,0|3,0,0]=4 1452 B11R1.17 CSCSc1nnccc1C 62a_100011218213_100000089043 [0,1,0,0,0,0|3,0,0]=4 1453 B11R1.17 Cc1ccccc1CCN[13CH3] 2230a_100000685071_200025704644 [0,1,0,0,0,0|1,0,0]=2 1454 B11R1.17 Cc1ccccc1CCN[13CH3] 34a_100000685071_200025704644 [0,1,0,0,0,0|1,0,0]=2 1455 B11R1.17 Cc1ccccc1CCO[13CH3] 34a_100011220023_200025704644 [0,1,0,0,0,0|2,0,0]=3 1456 B11R1.17 Cc1ccccc1CCO[13CH3] 7a_100011220023_200025704644 [0,1,0,0,0,0|2,0,0]=3 1457 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_100011713688_200025704644 [0,1,0,0,0,0|2,0,0]=3 1458 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_200025704644_100011713688 [0,1,0,0,0,0|2,0,0]=3 1459 B11R1.17 Cc1cccnc1CCO[13CH3] 34a_100011997706_200025704644 [0,1,0,0,0,0|1,0,0]=2 1460 B11R1.17 Cc1cccnc1CCO[13CH3] 7a_100011997706_200025704644 [0,1,0,0,0,0|1,0,0]=2 1461 B11R1.17 Cc1cccnc1CNCF 34a_100011223789_100015361967 [0,1,0,0,0,0|3,0,0]=4 1462 B11R1.17 Cc1cccnc1COCF 34a_100000698912_100015361967 [0,1,0,0,0,0|3,0,0]=4 1463 B11R1.17 Cc1cccnc1CSCF 62a_100000696600_100015361967 [0,1,0,0,0,0|3,0,0]=4 1464 B11R1.17 Cc1cccnc1CSCF 62a_100015361967_100000696600 [0,1,0,0,0,0|3,0,0]=4 1465 B11R1.17 Cc1cccnc1SCC#N 62a_100000751373_100011215382 [0,1,0,0,0,0|3,0,0]=4 1466 B11R1.17 Cc1cccnc1SCC#N 62a_100011215382_100000751373 [0,1,0,0,0,0|3,0,0]=4 1467 B11R1.17 Cc1cccnc1SCC=O 62a_100000751373_200015260668 [0,1,0,0,0,0|3,0,0]=4 1468 B11R1.17 Cc1cccnc1SCC=O 62a_200015260668_100000751373 [0,1,0,0,0,0|3,0,0]=4 1469 B11R1.17 Cc1cccnc1SCCF 62a_100000751373_100011217306 [0,1,0,0,0,0|3,0,0]=4 1470 B11R1.17 Cc1cccnc1SCCF 62a_100011217306_100000751373 [0,1,0,0,0,0|3,0,0]=4 1471 B11R1.17 Cc1cccnc1SCCO 62a_100000211926_100000751373 [0,1,0,0,0,0|3,0,0]=4 1472 B11R1.17 Cc1cccnc1SCCO 62a_100000751373_100000211926 [0,1,0,0,0,0|3,0,0]=4 1473 B11R1.17 FCCOc1ncccc1Cl 34a_100011290957_100011217306 [0,1,0,0,0,0|3,0,0]=4 1474 B11R1.17 FCCOc1ncccc1F 34a_100011219419_100011217306 [0,1,0,0,0,0|3,0,0]=4 1475 B11R1.17 FCCSc1ncccc1Br 62a_100000696092_100011217306 [0,1,0,0,0,0|3,0,0]=4 1476 B11R1.17 FCCSc1ncccc1Br 62a_100011217306_100000696092 [0,1,0,0,0,0|3,0,0]=4 1477 B11R1.17 FCCSc1ncccc1Cl 62a_100011217306_100011356963 [0,1,0,0,0,0|3,0,0]=4 1478 B11R1.17 FCCSc1ncccc1Cl 62a_100011356963_100011217306 [0,1,0,0,0,0|3,0,0]=4 1479 B11R1.17 FCCSc1ncccc1F 62a_100000685392_100011217306 [0,1,0,0,0,0|3,0,0]=4 1480 B11R1.17 FCCSc1ncccc1F 62a_100011217306_100000685392 [0,1,0,0,0,0|3,0,0]=4 1481 B11R1.17 FCNCc1ncccc1F 34a_100000690088_100015361967 [0,1,0,0,0,0|3,0,0]=4 1482 B11R1.17 FCOCc1ncccc1Br 34a_100011996772_100015361967 [0,1,0,0,0,0|3,0,0]=4 1483 B11R1.17 FCOCc1ncccc1Cl 34a_100012002383_100015361967 [0,1,0,0,0,0|3,0,0]=4 1484 B11R1.17 FCOCc1ncccc1F 34a_100011934865_100015361967 [0,1,0,0,0,0|3,0,0]=4 1485 B11R1.17 FCSCc1ncccc1Br 62a_100015361967_100025702911 [0,1,0,0,0,0|3,0,0]=4 1486 B11R1.17 FCSCc1ncccc1Br 62a_100025702911_100015361967 [0,1,0,0,0,0|3,0,0]=4 1487 B11R1.17 FCSCc1ncccc1Cl 62a_100000099807_100015361967 [0,1,0,0,0,0|3,0,0]=4 1488 B11R1.17 FCSCc1ncccc1Cl 62a_100015361967_100000099807 [0,1,0,0,0,0|3,0,0]=4 1489 B11R1.17 FCSCc1ncccc1F 62a_100000104219_100015361967 [0,1,0,0,0,0|3,0,0]=4 1490 B11R1.17 FCSCc1ncccc1F 62a_100015361967_100000104219 [0,1,0,0,0,0|3,0,0]=4 1491 B11R1.17 N#CCSc1ncccc1Br 62a_100000696092_100011215382 [0,1,0,0,0,0|3,0,0]=4 1492 B11R1.17 N#CCSc1ncccc1Br 62a_100011215382_100000696092 [0,1,0,0,0,0|3,0,0]=4 1493 B11R1.17 N#CCSc1ncccc1Cl 62a_100011215382_100011356963 [0,1,0,0,0,0|3,0,0]=4 1494 B11R1.17 N#CCSc1ncccc1Cl 62a_100011356963_100011215382 [0,1,0,0,0,0|3,0,0]=4 1495 B11R1.17 N#CCSc1ncccc1F 62a_100000685392_100011215382 [0,1,0,0,0,0|3,0,0]=4 1496 B11R1.17 N#CCSc1ncccc1F 62a_100011215382_100000685392 [0,1,0,0,0,0|3,0,0]=4 1497 B11R1.17 N#CCSc1ncccc1N 62a_100000688686_100011215382 [0,1,0,0,0,0|3,0,0]=4 1498 B11R1.17 N#CCSc1ncccc1N 62a_100011215382_100000688686 [0,1,0,0,0,0|3,0,0]=4 1499 B11R1.17 N#CCSc1ncccc1O 62a_100000034122_100011215382 [0,1,0,0,0,0|3,0,0]=4 1500 B11R1.17 N#CCSc1ncccc1O 62a_100011215382_100000034122 [0,1,0,0,0,0|3,0,0]=4 1501 B11R1.17 Nc1cccnc1COCF 34a_114873767017_100015361967 [0,1,0,0,0,0|3,0,0]=4 1502 B11R1.17 Nc1cccnc1OCC=O 34a_100000746358_200009817547 [0,1,0,0,0,0|3,0,0]=4 1503 B11R1.17 Nc1cccnc1OCCF 34a_100000746358_100011217306 [0,1,0,0,0,0|3,0,0]=4 1504 B11R1.17 Nc1cccnc1OCCO 34a_100000746358_100000211926 [0,1,0,0,0,0|3,0,0]=4 1505 B11R1.17 Nc1cccnc1SCC=O 62a_100000688686_200015260668 [0,1,0,0,0,0|3,0,0]=4 1506 B11R1.17 Nc1cccnc1SCC=O 62a_200015260668_100000688686 [0,1,0,0,0,0|3,0,0]=4 1507 B11R1.17 Nc1cccnc1SCCF 62a_100000688686_100011217306 [0,1,0,0,0,0|3,0,0]=4 1508 B11R1.17 Nc1cccnc1SCCF 62a_100011217306_100000688686 [0,1,0,0,0,0|3,0,0]=4 1509 B11R1.17 Nc1cccnc1SCCO 62a_100000211926_100000688686 [0,1,0,0,0,0|3,0,0]=4 1510 B11R1.17 Nc1cccnc1SCCO 62a_100000688686_100000211926 [0,1,0,0,0,0|3,0,0]=4 1511 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [0,1,0,0,0,0|3,0,0]=4 1512 B11R1.17 O=CCOc1ncccc1Cl 34a_100011290957_200009817547 [0,1,0,0,0,0|3,0,0]=4 1513 B11R1.17 O=CCOc1ncccc1F 34a_100011219419_200009817547 [0,1,0,0,0,0|3,0,0]=4 1514 B11R1.17 O=CCSc1ncccc1Br 62a_100000696092_200015260668 [0,1,0,0,0,0|3,0,0]=4 1515 B11R1.17 O=CCSc1ncccc1Br 62a_200015260668_100000696092 [0,1,0,0,0,0|3,0,0]=4 1516 B11R1.17 O=CCSc1ncccc1Cl 62a_100011356963_200015260668 [0,1,0,0,0,0|3,0,0]=4 1517 B11R1.17 O=CCSc1ncccc1Cl 62a_200015260668_100011356963 [0,1,0,0,0,0|3,0,0]=4 1518 B11R1.17 O=CCSc1ncccc1F 62a_100000685392_200015260668 [0,1,0,0,0,0|3,0,0]=4 1519 B11R1.17 O=CCSc1ncccc1F 62a_200015260668_100000685392 [0,1,0,0,0,0|3,0,0]=4 1520 B11R1.17 O=CCSc1ncccc1O 62a_100000034122_200015260668 [0,1,0,0,0,0|3,0,0]=4 1521 B11R1.17 O=CCSc1ncccc1O 62a_200015260668_100000034122 [0,1,0,0,0,0|3,0,0]=4 1522 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [0,1,0,0,0,0|3,0,0]=4 1523 B11R1.17 OCCNc1ncccc1Br 27a_100000210304_100000696092 [0,1,0,0,0,0|3,0,0]=4 1524 B11R1.17 OCCNc1ncccc1O 271570a_203496583355_200011464885 [0,1,0,0,0,0|3,0,0]=4 1525 B11R1.17 OCCOc1ncccc1Cl 34a_100011290957_100000211926 [0,1,0,0,0,0|3,0,0]=4 1526 B11R1.17 OCCOc1ncccc1F 34a_100011219419_100000211926 [0,1,0,0,0,0|3,0,0]=4 1527 B11R1.17 OCCSc1ncccc1Br 62a_100000211926_100000696092 [0,1,0,0,0,0|3,0,0]=4 1528 B11R1.17 OCCSc1ncccc1Br 62a_100000696092_100000211926 [0,1,0,0,0,0|3,0,0]=4 1529 B11R1.17 OCCSc1ncccc1Cl 62a_100000211926_100011356963 [0,1,0,0,0,0|3,0,0]=4 1530 B11R1.17 OCCSc1ncccc1Cl 62a_100011356963_100000211926 [0,1,0,0,0,0|3,0,0]=4 1531 B11R1.17 OCCSc1ncccc1F 62a_100000211926_100000685392 [0,1,0,0,0,0|3,0,0]=4 1532 B11R1.17 OCCSc1ncccc1F 62a_100000685392_100000211926 [0,1,0,0,0,0|3,0,0]=4 1533 B11R1.17 OCCSc1ncccc1O 62a_100000034122_100000211926 [0,1,0,0,0,0|3,0,0]=4 1534 B11R1.17 OCCSc1ncccc1O 62a_100000211926_100000034122 [0,1,0,0,0,0|3,0,0]=4 1535 B11R1.17 Oc1cccnc1CSCF 62a_100015361967_200020655725 [0,1,0,0,0,0|3,0,0]=4 1536 B11R1.17 Oc1cccnc1CSCF 62a_200020655725_100015361967 [0,1,0,0,0,0|3,0,0]=4 1537 B11R1.17 Oc1cccnc1SCCF 62a_100000034122_100011217306 [0,1,0,0,0,0|3,0,0]=4 1538 B11R1.17 Oc1cccnc1SCCF 62a_100011217306_100000034122 [0,1,0,0,0,0|3,0,0]=4 1539 B11R1.17 [13CH3]NCCc1ccccc1Br 2230a_100000747383_200025704644 [0,1,0,0,0,0|1,0,0]=2 1540 B11R1.17 [13CH3]NCCc1ccccc1Br 34a_100000747383_200025704644 [0,1,0,0,0,0|1,0,0]=2 1541 B11R1.17 [13CH3]NCCc1ccccc1Cl 2230a_100011207228_200025704644 [0,1,0,0,0,0|1,0,0]=2 1542 B11R1.17 [13CH3]NCCc1ccccc1Cl 34a_100011207228_200025704644 [0,1,0,0,0,0|1,0,0]=2 1543 B11R1.17 [13CH3]NCCc1ccccc1F 2230a_100000185272_200025704644 [0,1,0,0,0,0|1,0,0]=2 1544 B11R1.17 [13CH3]NCCc1ccccc1F 34a_100000185272_200025704644 [0,1,0,0,0,0|1,0,0]=2 1545 B11R1.17 [13CH3]NCCc1ccccc1O 34a_100011207237_200025704644 [0,1,0,0,0,0|1,0,0]=2 1546 B11R1.17 [13CH3]NCCn1ccccc1=O 2230a_100000687133_200025704644 [0,1,0,0,0,0|2,0,0]=3 1547 B11R1.17 [13CH3]OCCc1ccccc1Br 34a_100000731337_200025704644 [0,1,0,0,0,0|2,0,0]=3 1548 B11R1.17 [13CH3]OCCc1ccccc1Br 7a_100000731337_200025704644 [0,1,0,0,0,0|2,0,0]=3 1549 B11R1.17 [13CH3]OCCc1ccccc1Cl 34a_100011215284_200025704644 [0,1,0,0,0,0|2,0,0]=3 1550 B11R1.17 [13CH3]OCCc1ccccc1Cl 7a_100011215284_200025704644 [0,1,0,0,0,0|2,0,0]=3 1551 B11R1.17 [13CH3]OCCc1ccccc1F 34a_100000753711_200025704644 [0,1,0,0,0,0|2,0,0]=3 1552 B11R1.17 [13CH3]OCCc1ccccc1F 7a_100000753711_200025704644 [0,1,0,0,0,0|2,0,0]=3 1553 B11R1.17 [13CH3]OCCc1ccccc1I 34a_100010255290_200025704644 [0,1,0,0,0,0|2,0,0]=3 1554 B11R1.17 [13CH3]OCCc1ccccc1I 7a_100010255290_200025704644 [0,1,0,0,0,0|2,0,0]=3 1555 B11R1.17 [13CH3]OCCc1ccccc1N 34a_100011215289_200025704644 [0,1,0,0,0,0|2,0,0]=3 1556 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_100012161201_200025704644 [0,1,0,0,0,0|2,0,0]=3 1557 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_200025704644_100012161201 [0,1,0,0,0,0|2,0,0]=3 1558 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_100011713703_200025704644 [0,1,0,0,0,0|2,0,0]=3 1559 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_200025704644_100011713703 [0,1,0,0,0,0|2,0,0]=3 1560 B11R1.17 [13CH3]SCCc1ccccc1F 62a_100011713696_200025704644 [0,1,0,0,0,0|2,0,0]=3 1561 B11R1.17 [13CH3]SCCc1ccccc1F 62a_200025704644_100011713696 [0,1,0,0,0,0|2,0,0]=3 1562 B11R1.17 [13CH3]SCCc1ccccc1O 62a_100000722297_200025704644 [0,1,0,0,0,0|2,0,0]=3 1563 B11R1.17 [13CH3]SCCc1ccccc1O 62a_200025704644_100000722297 [0,1,0,0,0,0|2,0,0]=3 1564 B11R1.24 C#CCNc1cc(ccn1)F 27a_100000212058_100000764206 [0,1,0,0,0,0|2,0,1]=4 1565 B11R1.24 C#CCNc1cccc(n1)F 27a_100000212058_100009815982 [0,1,0,0,0,0|2,0,1]=4 1566 B11R1.24 C#CCOc1cccc(n1)F 34a_100011432558_100000184674 [0,1,0,0,0,0|2,0,1]=4 1567 B11R1.24 C#CCSc1cc(ccn1)C 62a_100000038162_100000750283 [0,1,0,0,0,0|2,0,1]=4 1568 B11R1.24 C#CCSc1cc(ccn1)Cl 62a_100000038162_100010167805 [0,1,0,0,0,0|2,0,1]=4 1569 B11R1.24 C#CCSc1cc(ccn1)F 62a_100000038162_100000764206 [0,1,0,0,0,0|2,0,1]=4 1570 B11R1.24 C#CCSc1cc(ccn1)N 62a_100000038162_100009814236 [0,1,0,0,0,0|2,0,1]=4 1571 B11R1.24 C#CCSc1cc(ccn1)O 62a_100000038162_100000762945 [0,1,0,0,0,0|2,0,1]=4 1572 B11R1.24 C#CCSc1cccc(n1)Br 62a_100000038162_100000684672 [0,1,0,0,0,0|2,0,1]=4 1573 B11R1.24 C#CCSc1cccc(n1)C 62a_100000038162_100000742759 [0,1,0,0,0,0|2,0,1]=4 1574 B11R1.24 C#CCSc1cccc(n1)Cl 62a_100000038162_100000051397 [0,1,0,0,0,0|2,0,1]=4 1575 B11R1.24 C#CCSc1cccc(n1)F 62a_100000038162_100009815982 [0,1,0,0,0,0|2,0,1]=4 1576 B11R1.24 C#CCSc1cccc(n1)N 62a_100000038162_100000740741 [0,1,0,0,0,0|2,0,1]=4 1577 B11R1.24 C=CCNc1cc(ccn1)F 27a_100020586998_100000764206 [0,1,0,0,0,0|2,0,1]=4 1578 B11R1.24 C=CCNc1cccc(n1)F 27a_100020586998_100009815982 [0,1,0,0,0,0|2,0,1]=4 1579 B11R1.24 C=CCOc1cccc(n1)F 34a_100011432558_100015514636 [0,1,0,0,0,0|2,0,1]=4 1580 B11R1.24 C=CCSc1cc(ccn1)C 62a_100000210623_100000750283 [0,1,0,0,0,0|2,0,1]=4 1581 B11R1.24 C=CCSc1cc(ccn1)C 62a_100000750283_100000210623 [0,1,0,0,0,0|2,0,1]=4 1582 B11R1.24 C=CCSc1cc(ccn1)Cl 62a_100000210623_100010167805 [0,1,0,0,0,0|2,0,1]=4 1583 B11R1.24 C=CCSc1cc(ccn1)Cl 62a_100010167805_100000210623 [0,1,0,0,0,0|2,0,1]=4 1584 B11R1.24 C=CCSc1cc(ccn1)F 62a_100000210623_100000764206 [0,1,0,0,0,0|2,0,1]=4 1585 B11R1.24 C=CCSc1cc(ccn1)F 62a_100000764206_100000210623 [0,1,0,0,0,0|2,0,1]=4 1586 B11R1.24 C=CCSc1cc(ccn1)N 62a_100000210623_100009814236 [0,1,0,0,0,0|2,0,1]=4 1587 B11R1.24 C=CCSc1cc(ccn1)N 62a_100009814236_100000210623 [0,1,0,0,0,0|2,0,1]=4 1588 B11R1.24 C=CCSc1cc(ccn1)O 62a_100000210623_100000762945 [0,1,0,0,0,0|2,0,1]=4 1589 B11R1.24 C=CCSc1cccc(n1)Br 62a_100000210623_100000684672 [0,1,0,0,0,0|2,0,1]=4 1590 B11R1.24 C=CCSc1cccc(n1)Br 62a_100000684672_100000210623 [0,1,0,0,0,0|2,0,1]=4 1591 B11R1.24 C=CCSc1cccc(n1)C 62a_100000210623_100000742759 [0,1,0,0,0,0|2,0,1]=4 1592 B11R1.24 C=CCSc1cccc(n1)C 62a_100000742759_100000210623 [0,1,0,0,0,0|2,0,1]=4 1593 B11R1.24 C=CCSc1cccc(n1)Cl 62a_100000051397_100000210623 [0,1,0,0,0,0|2,0,1]=4 1594 B11R1.24 C=CCSc1cccc(n1)Cl 62a_100000210623_100000051397 [0,1,0,0,0,0|2,0,1]=4 1595 B11R1.24 C=CCSc1cccc(n1)F 62a_100000210623_100009815982 [0,1,0,0,0,0|2,0,1]=4 1596 B11R1.24 C=CCSc1cccc(n1)F 62a_100009815982_100000210623 [0,1,0,0,0,0|2,0,1]=4 1597 B11R1.24 C=CCSc1cccc(n1)N 62a_100000210623_100000740741 [0,1,0,0,0,0|2,0,1]=4 1598 B11R1.24 C=CCSc1cccc(n1)N 62a_100000740741_100000210623 [0,1,0,0,0,0|2,0,1]=4 1599 B11R1.24 CC=NNc1cc(ccn1)Br 4a_100000764631_200000210099 [0,1,0,0,0,0|3,0,0]=4 1600 B11R1.24 CC=NNc1cc(ccn1)C 4a_100000746014_200000210099 [0,1,0,0,0,0|3,0,0]=4 1601 B11R1.24 CC=NNc1cc(ccn1)Cl 4a_100102524961_200000210099 [0,1,0,0,0,0|3,0,0]=4 1602 B11R1.24 CC=NNc1cc(ccn1)I 4a_100010221011_200000210099 [0,1,0,0,0,0|3,0,0]=4 1603 B11R1.24 CC=NNc1cccc(n1)Br 4a_100009817029_200000210099 [0,1,0,0,0,0|3,0,0]=4 1604 B11R1.24 CC=NNc1cccc(n1)C 4a_100011363444_200000210099 [0,1,0,0,0,0|3,0,0]=4 1605 B11R1.24 CC=NNc1cccc(n1)Cl 4a_100102524919_200000210099 [0,1,0,0,0,0|3,0,0]=4 1606 B11R1.24 CC=NNc1cccc(n1)F 4a_100000075452_200000210099 [0,1,0,0,0,0|3,0,0]=4 1607 B11R1.24 CCCCc1c[n+](ccn1)[O-] 271570a_100020621405_100009880115 [0,1,0,0,0,0|2,0,0]=3 1608 B11R1.24 CCCCc1cc(ccn1)C 271570a_100020621405_100000750283 [0,1,0,0,0,0|1,0,0]=2 1609 B11R1.24 CCCCc1cc(ccn1)Cl 271570a_100020621405_100010167805 [0,1,0,0,0,0|1,0,0]=2 1610 B11R1.24 CCCCc1cc(ccn1)F 271570a_100020621405_100009817058 [0,1,0,0,0,0|1,0,0]=2 1611 B11R1.24 CCCCc1cc(ccn1)N 271570a_100020621405_100009814236 [0,1,0,0,0,0|1,0,0]=2 1612 B11R1.24 CCCCc1cc(ccn1)O 271570a_100020621405_100000762945 [0,1,0,0,0,0|1,0,0]=2 1613 B11R1.24 CCCCc1cc(cnn1)C 271570a_100020621405_100000070100 [0,1,0,0,0,0|2,0,0]=3 1614 B11R1.24 CCCCc1cc(cnn1)O 271570a_100020621405_200010734679 [0,1,0,0,0,0|2,0,0]=3 1615 B11R1.24 CCCCc1cc(ncn1)C 271570a_100020621405_100000744208 [0,1,0,0,0,0|2,0,0]=3 1616 B11R1.24 CCCCc1cc(ncn1)F 271570a_100020621405_200009880791 [0,1,0,0,0,0|2,0,0]=3 1617 B11R1.24 CCCCc1cc(ncn1)N 271570a_100020621405_100000701291 [0,1,0,0,0,0|2,0,0]=3 1618 B11R1.24 CCCCc1cc(ncn1)O 271570a_100020621405_100000765262 [0,1,0,0,0,0|2,0,0]=3 1619 B11R1.24 CCCCc1cc[nH]c(=O)c1 271570a_100020621405_100009816521 [0,1,0,0,0,0|3,0,0]=4 1620 B11R1.24 CCCCc1cc[nH]c(=O)n1 271570a_100020621405_200000134032 [0,1,0,0,0,0|2,0,0]=3 1621 B11R1.24 CCCCc1ccc[n+](c1)C 271570a_100020621405_100009996589 [0,1,0,0,0,0|3,0,0]=4 1622 B11R1.24 CCCCc1ccc[n+](c1)[O-] 271570a_100020621405_100009815978 [0,1,0,0,0,0|3,0,0]=4 1623 B11R1.24 CCCCc1cccc(=O)[nH]1 271570a_100020621405_100000761760 [0,1,0,0,0,0|1,0,1]=3 1624 B11R1.24 CCCCc1cccc(c1)Br 271570a_100020621405_100000691529 [0,1,0,0,0,0|2,0,0]=3 1625 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [0,1,0,0,0,0|2,0,0]=3 1626 B11R1.24 CCCCc1cccc(c1)Cl 271570a_100020621405_100000699651 [0,1,0,0,0,0|2,0,0]=3 1627 B11R1.24 CCCCc1cccc(c1)F 271570a_100020621405_100000685547 [0,1,0,0,0,0|2,0,0]=3 1628 B11R1.24 CCCCc1cccc(c1)N 271570a_100020621405_100000210019 [0,1,0,0,0,0|2,0,0]=3 1629 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [0,1,0,0,0,0|2,0,0]=3 1630 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [0,1,0,0,0,0|2,0,0]=3 1631 B11R1.24 CCCCc1cccc(c1)[S] 271570a_100020621405_114929384022 [0,1,0,0,0,0|2,0,0]=3 1632 B11R1.24 CCCCc1cccc(n1)Br 271570a_100020621405_100000684672 [0,1,0,0,0,0|1,0,0]=2 1633 B11R1.24 CCCCc1cccc(n1)C 271570a_100020621405_100000742759 [0,1,0,0,0,0|1,0,0]=2 1634 B11R1.24 CCCCc1cccc(n1)F 271570a_100020621405_100009815982 [0,1,0,0,0,0|1,0,0]=2 1635 B11R1.24 CCCCc1cccc(n1)N 271570a_100020621405_100000740741 [0,1,0,0,0,0|1,0,0]=2 1636 B11R1.24 CCCCc1ccnc(c1)Br 271570a_100020621405_100009814637 [0,1,0,0,0,0|3,0,0]=4 1637 B11R1.24 CCCCc1ccnc(c1)C 271570a_100020621405_100000758586 [0,1,0,0,0,0|3,0,0]=4 1638 B11R1.24 CCCCc1ccnc(c1)Cl 271570a_100020621405_100000035001 [0,1,0,0,0,0|3,0,0]=4 1639 B11R1.24 CCCCc1ccnc(c1)F 271570a_100020621405_100009816116 [0,1,0,0,0,0|3,0,0]=4 1640 B11R1.24 CCCCc1ccnc(c1)N 271570a_100020621405_100000744379 [0,1,0,0,0,0|3,0,0]=4 1641 B11R1.24 CCCCc1ccnc(n1)C 271570a_100020621405_100000749937 [0,1,0,0,0,0|2,0,0]=3 1642 B11R1.24 CCCCc1ccnc(n1)N 271570a_100020621405_100009820717 [0,1,0,0,0,0|2,0,0]=3 1643 B11R1.24 CCCCc1cncc(c1)Br 271570a_100020621405_100000728054 [0,1,0,0,0,0|3,0,0]=4 1644 B11R1.24 CCCCc1cncc(c1)C 271570a_100020621405_100000760492 [0,1,0,0,0,0|3,0,0]=4 1645 B11R1.24 CCCCc1cncc(c1)Cl 271570a_100020621405_100000049639 [0,1,0,0,0,0|3,0,0]=4 1646 B11R1.24 CCCCc1cncc(c1)F 271570a_100020621405_100000744099 [0,1,0,0,0,0|3,0,0]=4 1647 B11R1.24 CCCCc1cncc(c1)N 271570a_100020621405_100000687067 [0,1,0,0,0,0|3,0,0]=4 1648 B11R1.24 CCCCc1cncc(c1)O 271570a_100020621405_100000754920 [0,1,0,0,0,0|3,0,0]=4 1649 B11R1.24 CCCCc1cncc(n1)C 271570a_100020621405_100009842155 [0,1,0,0,0,0|2,0,0]=3 1650 B11R1.24 CCCCc1cncc(n1)F 271570a_100020621405_200009863489 [0,1,0,0,0,0|2,0,0]=3 1651 B11R1.24 CCCCc1cncc(n1)N 271570a_100020621405_100009819714 [0,1,0,0,0,0|2,0,0]=3 1652 B11R1.24 CCCCc1cncc(n1)O 271570a_100020621405_100011269956 [0,1,0,0,0,0|2,0,0]=3 1653 B11R1.24 CCCCc1nccc(n1)C 271570a_100020621405_100011243806 [0,1,0,0,0,0|2,0,0]=3 1654 B11R1.24 CCCCc1nccc(n1)N 271570a_100020621405_100000757536 [0,1,0,0,0,0|2,0,0]=3 1655 B11R1.24 CCCCc1nccc(n1)O 271570a_100020621405_100011649813 [0,1,0,0,0,0|2,0,0]=3 1656 B11R1.24 CCCCc1ncnc(n1)N 271570a_100020621405_100000123831 [0,1,0,0,0,0|3,0,0]=4 1657 B11R1.24 CCCNc1cc(ncn1)O 271570a_203496583355_100011443280 [0,1,0,0,0,0|3,0,0]=4 1658 B11R1.24 CCCNc1cccc(c1)Br 34a_100000210019_100000210303 [0,1,0,0,0,0|3,0,0]=4 1659 B11R1.24 CCCNc1cccc(c1)C 2230a_100000188690_100000210303 [0,1,0,0,0,0|3,0,0]=4 1660 B11R1.24 CCCNc1cccc(c1)C 34a_100000188690_100000210303 [0,1,0,0,0,0|3,0,0]=4 1661 B11R1.24 CCCNc1cccc(c1)Cl 34a_100000185859_100000210303 [0,1,0,0,0,0|3,0,0]=4 1662 B11R1.24 CCCNc1cccc(c1)F 34a_100000210047_100000210303 [0,1,0,0,0,0|3,0,0]=4 1663 B11R1.24 CCCNc1cccc(c1)I 34a_100000211102_100000210303 [0,1,0,0,0,0|3,0,0]=4 1664 B11R1.24 CCCNc1cccc(c1)O 34a_100000210217_100000210303 [0,1,0,0,0,0|3,0,0]=4 1665 B11R1.24 CCCNc1cccc(n1)O 271570a_203496583355_200025756634 [0,1,0,0,0,0|2,0,0]=3 1666 B11R1.24 CCCNc1cncc(n1)O 271570a_203496583355_200011529425 [0,1,0,0,0,0|3,0,0]=4 1667 B11R1.24 CCCOc1cc(cnn1)C 34a_100000766097_100000210303 [0,1,0,0,0,0|3,0,0]=4 1668 B11R1.24 CCCOc1cccc(=O)[nH]1 34a_100000033347_100000210303 [0,1,0,0,0,0|2,0,1]=4 1669 B11R1.24 CCCOc1cccc(c1)Br 34a_100000210342_100000210303 [0,1,0,0,0,0|3,0,0]=4 1670 B11R1.24 CCCOc1cccc(c1)Br 7a_100000210342_100000210303 [0,1,0,0,0,0|3,0,0]=4 1671 B11R1.24 CCCOc1cccc(c1)C 34a_100000210337_100000210303 [0,1,0,0,0,0|3,0,0]=4 1672 B11R1.24 CCCOc1cccc(c1)C 7a_100000210337_100000210303 [0,1,0,0,0,0|3,0,0]=4 1673 B11R1.24 CCCOc1cccc(c1)Cl 34a_100000210295_100000210303 [0,1,0,0,0,0|3,0,0]=4 1674 B11R1.24 CCCOc1cccc(c1)Cl 7a_100000210295_100000210303 [0,1,0,0,0,0|3,0,0]=4 1675 B11R1.24 CCCOc1cccc(c1)F 34a_100000210426_100000210303 [0,1,0,0,0,0|3,0,0]=4 1676 B11R1.24 CCCOc1cccc(c1)F 7a_100000210426_100000210303 [0,1,0,0,0,0|3,0,0]=4 1677 B11R1.24 CCCOc1cccc(c1)I 34a_100000211634_100000210303 [0,1,0,0,0,0|3,0,0]=4 1678 B11R1.24 CCCOc1cccc(c1)I 7a_100000211634_100000210303 [0,1,0,0,0,0|3,0,0]=4 1679 B11R1.24 CCCOc1cccc(c1)N 34a_100000210217_100000210303 [0,1,0,0,0,0|3,0,0]=4 1680 B11R1.24 CCCOc1cccc(c1)O 271570a_203496583355_100000170004 [0,1,0,0,0,0|3,0,0]=4 1681 B11R1.24 CCCOc1cccc(n1)F 34a_100011432558_100000210303 [0,1,0,0,0,0|2,0,0]=3 1682 B11R1.24 CCCOc1cccc(n1)O 271570a_203496583355_200011960250 [0,1,0,0,0,0|2,0,0]=3 1683 B11R1.24 CCCSc1c[n+](ccn1)[O-] 62a_100000210303_100009880115 [0,1,0,0,0,0|3,0,0]=4 1684 B11R1.24 CCCSc1cc(=O)[nH]cn1 62a_100012002517_100000210303 [0,1,0,0,0,0|3,0,0]=4 1685 B11R1.24 CCCSc1cc(=O)cc[nH]1 62a_100009817434_100000210303 [0,1,0,0,0,0|2,0,1]=4 1686 B11R1.24 CCCSc1cc(ccn1)C 62a_100000210303_100000750283 [0,1,0,0,0,0|2,0,0]=3 1687 B11R1.24 CCCSc1cc(ccn1)C 62a_100000750283_100000210303 [0,1,0,0,0,0|2,0,0]=3 1688 B11R1.24 CCCSc1cc(ccn1)Cl 62a_100000210303_100010167805 [0,1,0,0,0,0|2,0,0]=3 1689 B11R1.24 CCCSc1cc(ccn1)Cl 62a_100010167805_100000210303 [0,1,0,0,0,0|2,0,0]=3 1690 B11R1.24 CCCSc1cc(ccn1)F 62a_100000210303_100000764206 [0,1,0,0,0,0|2,0,0]=3 1691 B11R1.24 CCCSc1cc(ccn1)F 62a_100000764206_100000210303 [0,1,0,0,0,0|2,0,0]=3 1692 B11R1.24 CCCSc1cc(ccn1)N 62a_100000210303_100009814236 [0,1,0,0,0,0|2,0,0]=3 1693 B11R1.24 CCCSc1cc(ccn1)N 62a_100009814236_100000210303 [0,1,0,0,0,0|2,0,0]=3 1694 B11R1.24 CCCSc1cc(ccn1)O 62a_100000210303_100000762945 [0,1,0,0,0,0|2,0,0]=3 1695 B11R1.24 CCCSc1cc(cnn1)C 62a_100000070100_100000210303 [0,1,0,0,0,0|3,0,0]=4 1696 B11R1.24 CCCSc1cc(cnn1)C 62a_100000210303_100000070100 [0,1,0,0,0,0|3,0,0]=4 1697 B11R1.24 CCCSc1cc(cnn1)N 62a_100000210303_100011996757 [0,1,0,0,0,0|3,0,0]=4 1698 B11R1.24 CCCSc1cc(cnn1)N 62a_100011996757_100000210303 [0,1,0,0,0,0|3,0,0]=4 1699 B11R1.24 CCCSc1cc(cnn1)O 62a_100000210303_200010734679 [0,1,0,0,0,0|3,0,0]=4 1700 B11R1.24 CCCSc1cc(ncn1)C 62a_100000210303_100000744208 [0,1,0,0,0,0|3,0,0]=4 1701 B11R1.24 CCCSc1cc(ncn1)C 62a_100000744208_100000210303 [0,1,0,0,0,0|3,0,0]=4 1702 B11R1.24 CCCSc1cc(ncn1)Cl 62a_100000210303_100010161198 [0,1,0,0,0,0|3,0,0]=4 1703 B11R1.24 CCCSc1cc(ncn1)Cl 62a_100010161198_100000210303 [0,1,0,0,0,0|3,0,0]=4 1704 B11R1.24 CCCSc1cc(ncn1)F 62a_100000210303_200009880791 [0,1,0,0,0,0|3,0,0]=4 1705 B11R1.24 CCCSc1cc(ncn1)F 62a_200009880791_100000210303 [0,1,0,0,0,0|3,0,0]=4 1706 B11R1.24 CCCSc1cc(ncn1)N 62a_100000210303_100000701291 [0,1,0,0,0,0|3,0,0]=4 1707 B11R1.24 CCCSc1cc(ncn1)N 62a_100000701291_100000210303 [0,1,0,0,0,0|3,0,0]=4 1708 B11R1.24 CCCSc1cc(ncn1)O 62a_100000210303_100000765262 [0,1,0,0,0,0|3,0,0]=4 1709 B11R1.24 CCCSc1cc[nH]c(=O)n1 62a_100000210303_200000134032 [0,1,0,0,0,0|3,0,0]=4 1710 B11R1.24 CCCSc1cccc(=O)[nH]1 62a_100000210303_100000752884 [0,1,0,0,0,0|2,0,1]=4 1711 B11R1.24 CCCSc1cccc(c1)Br 62a_100000210303_100000691529 [0,1,0,0,0,0|3,0,0]=4 1712 B11R1.24 CCCSc1cccc(c1)Br 62a_100000691529_100000210303 [0,1,0,0,0,0|3,0,0]=4 1713 B11R1.24 CCCSc1cccc(c1)C 62a_100000210303_100011215228 [0,1,0,0,0,0|3,0,0]=4 1714 B11R1.24 CCCSc1cccc(c1)C 62a_100011215228_100000210303 [0,1,0,0,0,0|3,0,0]=4 1715 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000210303_100000699651 [0,1,0,0,0,0|3,0,0]=4 1716 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000699651_100000210303 [0,1,0,0,0,0|3,0,0]=4 1717 B11R1.24 CCCSc1cccc(c1)F 62a_100000210303_100000685547 [0,1,0,0,0,0|3,0,0]=4 1718 B11R1.24 CCCSc1cccc(c1)F 62a_100000685547_100000210303 [0,1,0,0,0,0|3,0,0]=4 1719 B11R1.24 CCCSc1cccc(c1)N 62a_100000210019_100000210303 [0,1,0,0,0,0|3,0,0]=4 1720 B11R1.24 CCCSc1cccc(c1)N 62a_100000210303_100000210019 [0,1,0,0,0,0|3,0,0]=4 1721 B11R1.24 CCCSc1cccc(c1)O 271570a_203496583355_200009815762 [0,1,0,0,0,0|3,0,0]=4 1722 B11R1.24 CCCSc1cccc(c1)O 62a_100000210303_100000211634 [0,1,0,0,0,0|3,0,0]=4 1723 B11R1.24 CCCSc1cccc(c1)[S] 62a_100000210303_114929384022 [0,1,0,0,0,0|3,0,0]=4 1724 B11R1.24 CCCSc1cccc(c1)[S] 62a_114929384022_100000210303 [0,1,0,0,0,0|3,0,0]=4 1725 B11R1.24 CCCSc1cccc(n1)Br 62a_100000210303_100000684672 [0,1,0,0,0,0|2,0,0]=3 1726 B11R1.24 CCCSc1cccc(n1)Br 62a_100000684672_100000210303 [0,1,0,0,0,0|2,0,0]=3 1727 B11R1.24 CCCSc1cccc(n1)C 62a_100000210303_100000742759 [0,1,0,0,0,0|2,0,0]=3 1728 B11R1.24 CCCSc1cccc(n1)C 62a_100000742759_100000210303 [0,1,0,0,0,0|2,0,0]=3 1729 B11R1.24 CCCSc1cccc(n1)Cl 62a_100000051397_100000210303 [0,1,0,0,0,0|2,0,0]=3 1730 B11R1.24 CCCSc1cccc(n1)Cl 62a_100000210303_100000051397 [0,1,0,0,0,0|2,0,0]=3 1731 B11R1.24 CCCSc1cccc(n1)F 62a_100000210303_100009815982 [0,1,0,0,0,0|2,0,0]=3 1732 B11R1.24 CCCSc1cccc(n1)F 62a_100009815982_100000210303 [0,1,0,0,0,0|2,0,0]=3 1733 B11R1.24 CCCSc1cccc(n1)N 62a_100000210303_100000740741 [0,1,0,0,0,0|2,0,0]=3 1734 B11R1.24 CCCSc1cccc(n1)N 62a_100000740741_100000210303 [0,1,0,0,0,0|2,0,0]=3 1735 B11R1.24 CCCSc1ccnc(n1)C 62a_100000210303_100000749937 [0,1,0,0,0,0|3,0,0]=4 1736 B11R1.24 CCCSc1ccnc(n1)C 62a_100000749937_100000210303 [0,1,0,0,0,0|3,0,0]=4 1737 B11R1.24 CCCSc1ccnc(n1)Cl 62a_100000210303_100010154678 [0,1,0,0,0,0|3,0,0]=4 1738 B11R1.24 CCCSc1ccnc(n1)Cl 62a_100010154678_100000210303 [0,1,0,0,0,0|3,0,0]=4 1739 B11R1.24 CCCSc1ccnc(n1)N 62a_100000055538_100000210303 [0,1,0,0,0,0|3,0,0]=4 1740 B11R1.24 CCCSc1ccnc(n1)N 62a_100000210303_100000055538 [0,1,0,0,0,0|3,0,0]=4 1741 B11R1.24 CCCSc1cncc(n1)C 62a_100000210303_100000754123 [0,1,0,0,0,0|3,0,0]=4 1742 B11R1.24 CCCSc1cncc(n1)C 62a_100000754123_100000210303 [0,1,0,0,0,0|3,0,0]=4 1743 B11R1.24 CCCSc1cncc(n1)Cl 62a_100000210303_100010892449 [0,1,0,0,0,0|3,0,0]=4 1744 B11R1.24 CCCSc1cncc(n1)Cl 62a_100010892449_100000210303 [0,1,0,0,0,0|3,0,0]=4 1745 B11R1.24 CCCSc1cncc(n1)F 62a_100000210303_200009863489 [0,1,0,0,0,0|3,0,0]=4 1746 B11R1.24 CCCSc1cncc(n1)F 62a_200009863489_100000210303 [0,1,0,0,0,0|3,0,0]=4 1747 B11R1.24 CCCSc1cncc(n1)N 62a_100000210303_100000747728 [0,1,0,0,0,0|3,0,0]=4 1748 B11R1.24 CCCSc1cncc(n1)N 62a_100000747728_100000210303 [0,1,0,0,0,0|3,0,0]=4 1749 B11R1.24 CCCSc1cncc(n1)O 62a_100000210303_100011269956 [0,1,0,0,0,0|3,0,0]=4 1750 B11R1.24 CCCSc1nccc(n1)C 62a_100000210303_100011243806 [0,1,0,0,0,0|3,0,0]=4 1751 B11R1.24 CCCSc1nccc(n1)C 62a_100011243806_100000210303 [0,1,0,0,0,0|3,0,0]=4 1752 B11R1.24 CCCSc1nccc(n1)N 62a_100000210303_100000757536 [0,1,0,0,0,0|3,0,0]=4 1753 B11R1.24 CCCSc1nccc(n1)N 62a_100000757536_100000210303 [0,1,0,0,0,0|3,0,0]=4 1754 B11R1.24 CCCSc1nccc(n1)O 62a_100000210303_100011649813 [0,1,0,0,0,0|3,0,0]=4 1755 B11R1.24 CCNCc1cc(ccn1)Br 2230a_100015525214_100010173614 [0,1,0,0,0,0|2,0,0]=3 1756 B11R1.24 CCNCc1cc(ccn1)Br 270004a_100015525214_100009818557 [0,1,0,0,0,0|2,0,0]=3 1757 B11R1.24 CCNCc1cc(ccn1)C 207a_100015525214_100011361488 [0,1,0,0,0,0|2,0,0]=3 1758 B11R1.24 CCNCc1cc(ccn1)C 2230a_100015525214_100000718516 [0,1,0,0,0,0|2,0,0]=3 1759 B11R1.24 CCNCc1cc(ccn1)C 270004a_100015525214_100011361488 [0,1,0,0,0,0|2,0,0]=3 1760 B11R1.24 CCNCc1cc(ccn1)Cl 2230a_100015525214_100016988179 [0,1,0,0,0,0|2,0,0]=3 1761 B11R1.24 CCNCc1cc(ccn1)Cl 270004a_100015525214_100011998288 [0,1,0,0,0,0|2,0,0]=3 1762 B11R1.24 CCNCc1cccc(=O)[nH]1 207a_100015525214_100011935257 [0,1,0,0,0,0|2,0,1]=4 1763 B11R1.24 CCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210202 [0,1,0,0,0,0|2,0,1]=4 1764 B11R1.24 CCNCc1cccc(c1)Br 207a_100015525214_100000210085 [0,1,0,0,0,0|3,0,0]=4 1765 B11R1.24 CCNCc1cccc(c1)Br 2230a_100000174977_100000210202 [0,1,0,0,0,0|3,0,0]=4 1766 B11R1.24 CCNCc1cccc(c1)Br 2230a_100015525214_100000698116 [0,1,0,0,0,0|3,0,0]=4 1767 B11R1.24 CCNCc1cccc(c1)Br 270004a_100015525214_100000210085 [0,1,0,0,0,0|3,0,0]=4 1768 B11R1.24 CCNCc1cccc(c1)Br 34a_100000174977_100000210202 [0,1,0,0,0,0|3,0,0]=4 1769 B11R1.24 CCNCc1cccc(c1)C 207a_100015525214_100000211157 [0,1,0,0,0,0|3,0,0]=4 1770 B11R1.24 CCNCc1cccc(c1)C 2230a_100000185548_100000210202 [0,1,0,0,0,0|3,0,0]=4 1771 B11R1.24 CCNCc1cccc(c1)C 2230a_100015525214_100000211840 [0,1,0,0,0,0|3,0,0]=4 1772 B11R1.24 CCNCc1cccc(c1)C 270004a_100015525214_100000211157 [0,1,0,0,0,0|3,0,0]=4 1773 B11R1.24 CCNCc1cccc(c1)C 34a_100000185548_100000210202 [0,1,0,0,0,0|3,0,0]=4 1774 B11R1.24 CCNCc1cccc(c1)Cl 207a_100015525214_100000210801 [0,1,0,0,0,0|3,0,0]=4 1775 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100000174878_100000210202 [0,1,0,0,0,0|3,0,0]=4 1776 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100015525214_100000181238 [0,1,0,0,0,0|3,0,0]=4 1777 B11R1.24 CCNCc1cccc(c1)Cl 270004a_100015525214_100000210801 [0,1,0,0,0,0|3,0,0]=4 1778 B11R1.24 CCNCc1cccc(c1)Cl 34a_100000174878_100000210202 [0,1,0,0,0,0|3,0,0]=4 1779 B11R1.24 CCNCc1cccc(c1)F 207a_100015525214_100000210812 [0,1,0,0,0,0|3,0,0]=4 1780 B11R1.24 CCNCc1cccc(c1)F 2230a_100000174948_100000210202 [0,1,0,0,0,0|3,0,0]=4 1781 B11R1.24 CCNCc1cccc(c1)F 2230a_100015525214_100000230114 [0,1,0,0,0,0|3,0,0]=4 1782 B11R1.24 CCNCc1cccc(c1)F 270004a_100015525214_100000210812 [0,1,0,0,0,0|3,0,0]=4 1783 B11R1.24 CCNCc1cccc(c1)F 34a_100000174948_100000210202 [0,1,0,0,0,0|3,0,0]=4 1784 B11R1.24 CCNCc1cccc(c1)I 207a_100015525214_100000014684 [0,1,0,0,0,0|3,0,0]=4 1785 B11R1.24 CCNCc1cccc(c1)I 2230a_100000106179_100000210202 [0,1,0,0,0,0|3,0,0]=4 1786 B11R1.24 CCNCc1cccc(c1)I 2230a_100015525214_100011218688 [0,1,0,0,0,0|3,0,0]=4 1787 B11R1.24 CCNCc1cccc(c1)I 270004a_100015525214_100000014684 [0,1,0,0,0,0|3,0,0]=4 1788 B11R1.24 CCNCc1cccc(c1)I 34a_100000106179_100000210202 [0,1,0,0,0,0|3,0,0]=4 1789 B11R1.24 CCNCc1cccc(c1)O 207a_100015525214_100000188321 [0,1,0,0,0,0|3,0,0]=4 1790 B11R1.24 CCNCc1cccc(c1)O 2230a_100000743036_100000210202 [0,1,0,0,0,0|3,0,0]=4 1791 B11R1.24 CCNCc1cccc(c1)O 2230a_100015525214_100011660834 [0,1,0,0,0,0|3,0,0]=4 1792 B11R1.24 CCNCc1cccc(c1)O 270004a_100015525214_100000188321 [0,1,0,0,0,0|3,0,0]=4 1793 B11R1.24 CCNCc1cccc(c1)O 271570a_203496583355_100000187426 [0,1,0,0,0,0|3,0,0]=4 1794 B11R1.24 CCNCc1cccc(c1)O 34a_100000743036_100000210202 [0,1,0,0,0,0|3,0,0]=4 1795 B11R1.24 CCNCc1cccc(n1)Br 2230a_100015525214_100009889011 [0,1,0,0,0,0|2,0,0]=3 1796 B11R1.24 CCNCc1cccc(n1)Br 2230a_100016987751_100000210202 [0,1,0,0,0,0|2,0,0]=3 1797 B11R1.24 CCNCc1cccc(n1)Br 270004a_100015525214_100000688028 [0,1,0,0,0,0|2,0,0]=3 1798 B11R1.24 CCNCc1cccc(n1)C 207a_100015525214_100011215050 [0,1,0,0,0,0|2,0,0]=3 1799 B11R1.24 CCNCc1cccc(n1)C 2230a_100015525214_100000757606 [0,1,0,0,0,0|2,0,0]=3 1800 B11R1.24 CCNCc1cccc(n1)C 270004a_100015525214_100011215050 [0,1,0,0,0,0|2,0,0]=3 1801 B11R1.24 CCNCc1cccc(n1)C 34a_100000701342_100000210202 [0,1,0,0,0,0|2,0,0]=3 1802 B11R1.24 CCNCc1cccc(n1)Cl 2230a_100015525214_100000086093 [0,1,0,0,0,0|2,0,0]=3 1803 B11R1.24 CCNCc1cccc(n1)Cl 2230a_100016990191_100000210202 [0,1,0,0,0,0|2,0,0]=3 1804 B11R1.24 CCNCc1cccc(n1)Cl 270004a_100015525214_100011361687 [0,1,0,0,0,0|2,0,0]=3 1805 B11R1.24 CCNCc1cccc(n1)F 2230a_100015188798_100000210202 [0,1,0,0,0,0|2,0,0]=3 1806 B11R1.24 CCNCc1cccc(n1)F 2230a_100015525214_100009819644 [0,1,0,0,0,0|2,0,0]=3 1807 B11R1.24 CCNCc1cccc(n1)F 270004a_100015525214_100000050434 [0,1,0,0,0,0|2,0,0]=3 1808 B11R1.24 CCNCc1cccc(n1)F 34a_100015188798_100000210202 [0,1,0,0,0,0|2,0,0]=3 1809 B11R1.24 CCNCc1ccnc(n1)C 270004a_100015525214_100011361539 [0,1,0,0,0,0|3,0,0]=4 1810 B11R1.24 CCNCc1ccnc(n1)Cl 2230a_100015525214_100000099655 [0,1,0,0,0,0|3,0,0]=4 1811 B11R1.24 CCNCc1cncc(n1)C 207a_100015525214_100000100294 [0,1,0,0,0,0|3,0,0]=4 1812 B11R1.24 CCNCc1cncc(n1)C 270004a_100015525214_100000100294 [0,1,0,0,0,0|3,0,0]=4 1813 B11R1.24 CCNCc1nccc(n1)C 2230a_100015186494_100000210202 [0,1,0,0,0,0|3,0,0]=4 1814 B11R1.24 CCOCc1cc(ccn1)Br 34a_100121572206_100010173614 [0,1,0,0,0,0|2,0,0]=3 1815 B11R1.24 CCOCc1cc(ccn1)C 34a_100011998357_100000210202 [0,1,0,0,0,0|2,0,0]=3 1816 B11R1.24 CCOCc1cc(ccn1)C 34a_100121572206_100000718516 [0,1,0,0,0,0|2,0,0]=3 1817 B11R1.24 CCOCc1cc(ccn1)Cl 34a_100000748867_100000210202 [0,1,0,0,0,0|2,0,0]=3 1818 B11R1.24 CCOCc1cc(ccn1)Cl 34a_100121572206_100016988179 [0,1,0,0,0,0|2,0,0]=3 1819 B11R1.24 CCOCc1cc(ccn1)N 34a_100000692640_100000210202 [0,1,0,0,0,0|2,0,0]=3 1820 B11R1.24 CCOCc1cc(cnn1)C 34a_100016212594_100000210202 [0,1,0,0,0,0|3,0,0]=4 1821 B11R1.24 CCOCc1cccc(c1)Br 34a_100000687537_100000210202 [0,1,0,0,0,0|3,0,0]=4 1822 B11R1.24 CCOCc1cccc(c1)Br 34a_100121572206_100000698116 [0,1,0,0,0,0|3,0,0]=4 1823 B11R1.24 CCOCc1cccc(c1)Br 7a_100000687537_100000210202 [0,1,0,0,0,0|3,0,0]=4 1824 B11R1.24 CCOCc1cccc(c1)C 34a_100011217746_100000210202 [0,1,0,0,0,0|3,0,0]=4 1825 B11R1.24 CCOCc1cccc(c1)C 34a_100121572206_100000211840 [0,1,0,0,0,0|3,0,0]=4 1826 B11R1.24 CCOCc1cccc(c1)C 7a_100011217746_100000210202 [0,1,0,0,0,0|3,0,0]=4 1827 B11R1.24 CCOCc1cccc(c1)Cl 34a_100000241301_100000210202 [0,1,0,0,0,0|3,0,0]=4 1828 B11R1.24 CCOCc1cccc(c1)Cl 34a_100121572206_100000187163 [0,1,0,0,0,0|3,0,0]=4 1829 B11R1.24 CCOCc1cccc(c1)Cl 7a_100000241301_100000210202 [0,1,0,0,0,0|3,0,0]=4 1830 B11R1.24 CCOCc1cccc(c1)F 34a_100000210976_100000210202 [0,1,0,0,0,0|3,0,0]=4 1831 B11R1.24 CCOCc1cccc(c1)F 34a_100121572206_100000187166 [0,1,0,0,0,0|3,0,0]=4 1832 B11R1.24 CCOCc1cccc(c1)F 7a_100000210976_100000210202 [0,1,0,0,0,0|3,0,0]=4 1833 B11R1.24 CCOCc1cccc(c1)I 34a_100011215336_100000210202 [0,1,0,0,0,0|3,0,0]=4 1834 B11R1.24 CCOCc1cccc(c1)I 34a_100121572206_100011218688 [0,1,0,0,0,0|3,0,0]=4 1835 B11R1.24 CCOCc1cccc(c1)I 7a_100011215336_100000210202 [0,1,0,0,0,0|3,0,0]=4 1836 B11R1.24 CCOCc1cccc(c1)N 34a_100000211919_100000210202 [0,1,0,0,0,0|3,0,0]=4 1837 B11R1.24 CCOCc1cccc(c1)O 271570a_203496583355_100011493694 [0,1,0,0,0,0|3,0,0]=4 1838 B11R1.24 CCOCc1cccc(c1)O 34a_100121572206_100011660834 [0,1,0,0,0,0|3,0,0]=4 1839 B11R1.24 CCOCc1cccc(n1)Br 34a_100000694195_100000210202 [0,1,0,0,0,0|2,0,0]=3 1840 B11R1.24 CCOCc1cccc(n1)Br 34a_100121572206_100009889011 [0,1,0,0,0,0|2,0,0]=3 1841 B11R1.24 CCOCc1cccc(n1)C 34a_100000690600_100000210202 [0,1,0,0,0,0|2,0,0]=3 1842 B11R1.24 CCOCc1cccc(n1)C 34a_100121572206_100000757606 [0,1,0,0,0,0|2,0,0]=3 1843 B11R1.24 CCOCc1cccc(n1)Cl 34a_100011998359_100000210202 [0,1,0,0,0,0|2,0,0]=3 1844 B11R1.24 CCOCc1cccc(n1)Cl 34a_100121572206_100000086093 [0,1,0,0,0,0|2,0,0]=3 1845 B11R1.24 CCOCc1cccc(n1)F 34a_100000086748_100000210202 [0,1,0,0,0,0|2,0,0]=3 1846 B11R1.24 CCOCc1cccc(n1)F 34a_100121572206_100009819644 [0,1,0,0,0,0|2,0,0]=3 1847 B11R1.24 CCOCc1ccnc(n1)Cl 34a_100121572206_100000099655 [0,1,0,0,0,0|3,0,0]=4 1848 B11R1.24 CCSCc1cc(ccn1)Br 62a_100000210202_100010173614 [0,1,0,0,0,0|2,0,0]=3 1849 B11R1.24 CCSCc1cc(ccn1)Br 62a_100010173614_100000210202 [0,1,0,0,0,0|2,0,0]=3 1850 B11R1.24 CCSCc1cc(ccn1)C 62a_100000210202_100000718516 [0,1,0,0,0,0|2,0,0]=3 1851 B11R1.24 CCSCc1cc(ccn1)C 62a_100000718516_100000210202 [0,1,0,0,0,0|2,0,0]=3 1852 B11R1.24 CCSCc1cc(ccn1)Cl 62a_100000210202_100016988179 [0,1,0,0,0,0|2,0,0]=3 1853 B11R1.24 CCSCc1cc(ccn1)Cl 62a_100016988179_100000210202 [0,1,0,0,0,0|2,0,0]=3 1854 B11R1.24 CCSCc1cccc(c1)Br 62a_100000210202_100000211773 [0,1,0,0,0,0|3,0,0]=4 1855 B11R1.24 CCSCc1cccc(c1)Br 62a_100000211773_100000210202 [0,1,0,0,0,0|3,0,0]=4 1856 B11R1.24 CCSCc1cccc(c1)C 62a_100000210202_100000211840 [0,1,0,0,0,0|3,0,0]=4 1857 B11R1.24 CCSCc1cccc(c1)C 62a_100000211840_100000210202 [0,1,0,0,0,0|3,0,0]=4 1858 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000187163_100000210202 [0,1,0,0,0,0|3,0,0]=4 1859 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000210202_100000187163 [0,1,0,0,0,0|3,0,0]=4 1860 B11R1.24 CCSCc1cccc(c1)F 62a_100000210202_100000230114 [0,1,0,0,0,0|3,0,0]=4 1861 B11R1.24 CCSCc1cccc(c1)F 62a_100000230114_100000210202 [0,1,0,0,0,0|3,0,0]=4 1862 B11R1.24 CCSCc1cccc(c1)I 62a_100000210202_100011218688 [0,1,0,0,0,0|3,0,0]=4 1863 B11R1.24 CCSCc1cccc(c1)I 62a_100011218688_100000210202 [0,1,0,0,0,0|3,0,0]=4 1864 B11R1.24 CCSCc1cccc(c1)O 62a_100000210202_100011660834 [0,1,0,0,0,0|3,0,0]=4 1865 B11R1.24 CCSCc1cccc(c1)O 62a_100011660834_100000210202 [0,1,0,0,0,0|3,0,0]=4 1866 B11R1.24 CCSCc1cccc(n1)Br 62a_100000210202_100009889011 [0,1,0,0,0,0|2,0,0]=3 1867 B11R1.24 CCSCc1cccc(n1)Br 62a_100009889011_100000210202 [0,1,0,0,0,0|2,0,0]=3 1868 B11R1.24 CCSCc1cccc(n1)C 62a_100000210202_100000757606 [0,1,0,0,0,0|2,0,0]=3 1869 B11R1.24 CCSCc1cccc(n1)C 62a_100000757606_100000210202 [0,1,0,0,0,0|2,0,0]=3 1870 B11R1.24 CCSCc1cccc(n1)Cl 62a_100000086093_100000210202 [0,1,0,0,0,0|2,0,0]=3 1871 B11R1.24 CCSCc1cccc(n1)Cl 62a_100000210202_100000086093 [0,1,0,0,0,0|2,0,0]=3 1872 B11R1.24 CCSCc1cccc(n1)F 62a_100000210202_100009819644 [0,1,0,0,0,0|2,0,0]=3 1873 B11R1.24 CCSCc1cccc(n1)F 62a_100009819644_100000210202 [0,1,0,0,0,0|2,0,0]=3 1874 B11R1.24 CCSCc1ccnc(n1)Cl 62a_100000099655_100000210202 [0,1,0,0,0,0|3,0,0]=4 1875 B11R1.24 CCSCc1ccnc(n1)Cl 62a_100000210202_100000099655 [0,1,0,0,0,0|3,0,0]=4 1876 B11R1.24 CNCCc1cccc(c1)Br 2230a_100011207229_200000210301 [0,1,0,0,0,0|1,0,0]=2 1877 B11R1.24 CNCCc1cccc(c1)Br 2230a_106832991635_100011740638 [0,1,0,0,0,0|1,0,0]=2 1878 B11R1.24 CNCCc1cccc(c1)Br 34a_100011207229_200000210301 [0,1,0,0,0,0|1,0,0]=2 1879 B11R1.24 CNCCc1cccc(c1)Br 34a_100102657272_100011740638 [0,1,0,0,0,0|1,0,0]=2 1880 B11R1.24 CNCCc1cccc(c1)Br 7a_106832991635_100011740638 [0,1,0,0,0,0|1,0,0]=2 1881 B11R1.24 CNCCc1cccc(c1)C 2230a_100000749837_200000210301 [0,1,0,0,0,0|1,0,0]=2 1882 B11R1.24 CNCCc1cccc(c1)C 2230a_106832991635_100011713685 [0,1,0,0,0,0|1,0,0]=2 1883 B11R1.24 CNCCc1cccc(c1)C 34a_100000749837_200000210301 [0,1,0,0,0,0|1,0,0]=2 1884 B11R1.24 CNCCc1cccc(c1)C 34a_100102657272_100011713685 [0,1,0,0,0,0|1,0,0]=2 1885 B11R1.24 CNCCc1cccc(c1)C 7a_106832991635_100011713685 [0,1,0,0,0,0|1,0,0]=2 1886 B11R1.24 CNCCc1cccc(c1)Cl 2230a_100000185263_200000210301 [0,1,0,0,0,0|1,0,0]=2 1887 B11R1.24 CNCCc1cccc(c1)Cl 2230a_106832991635_100011713710 [0,1,0,0,0,0|1,0,0]=2 1888 B11R1.24 CNCCc1cccc(c1)Cl 34a_100000185263_200000210301 [0,1,0,0,0,0|1,0,0]=2 1889 B11R1.24 CNCCc1cccc(c1)Cl 34a_100102657272_100011713710 [0,1,0,0,0,0|1,0,0]=2 1890 B11R1.24 CNCCc1cccc(c1)Cl 7a_106832991635_100011713710 [0,1,0,0,0,0|1,0,0]=2 1891 B11R1.24 CNCCc1cccc(c1)F 2230a_100000205154_200000210301 [0,1,0,0,0,0|1,0,0]=2 1892 B11R1.24 CNCCc1cccc(c1)F 2230a_106832991635_100011217235 [0,1,0,0,0,0|1,0,0]=2 1893 B11R1.24 CNCCc1cccc(c1)F 34a_100000205154_200000210301 [0,1,0,0,0,0|1,0,0]=2 1894 B11R1.24 CNCCc1cccc(c1)F 34a_100102657272_100011217235 [0,1,0,0,0,0|1,0,0]=2 1895 B11R1.24 CNCCc1cccc(c1)F 7a_106832991635_100011217235 [0,1,0,0,0,0|1,0,0]=2 1896 B11R1.24 CNCCc1cccc(c1)O 2230a_100000747277_200000210301 [0,1,0,0,0,0|1,0,0]=2 1897 B11R1.24 CNCCc1cccc(c1)O 34a_100000747277_200000210301 [0,1,0,0,0,0|1,0,0]=2 1898 B11R1.24 CNCCc1cccc(n1)C 2230a_100011824523_200000210301 [0,1,0,0,0,0|0,0,0]=1 1899 B11R1.24 CNCCc1cccc(n1)C 34a_100011824523_200000210301 [0,1,0,0,0,0|0,0,0]=1 1900 B11R1.24 COCCc1cccc(c1)Br 34a_100011217444_200000210301 [0,1,0,0,0,0|2,0,0]=3 1901 B11R1.24 COCCc1cccc(c1)Br 34a_100138415774_100011740638 [0,1,0,0,0,0|2,0,0]=3 1902 B11R1.24 COCCc1cccc(c1)Br 7a_100011217444_200000210301 [0,1,0,0,0,0|2,0,0]=3 1903 B11R1.24 COCCc1cccc(c1)C 34a_100011217157_200000210301 [0,1,0,0,0,0|2,0,0]=3 1904 B11R1.24 COCCc1cccc(c1)C 34a_100138415774_100011713685 [0,1,0,0,0,0|2,0,0]=3 1905 B11R1.24 COCCc1cccc(c1)C 7a_100011217157_200000210301 [0,1,0,0,0,0|2,0,0]=3 1906 B11R1.24 COCCc1cccc(c1)Cl 34a_100000754733_200000210301 [0,1,0,0,0,0|2,0,0]=3 1907 B11R1.24 COCCc1cccc(c1)Cl 34a_100138415774_100011713710 [0,1,0,0,0,0|2,0,0]=3 1908 B11R1.24 COCCc1cccc(c1)Cl 7a_100000754733_200000210301 [0,1,0,0,0,0|2,0,0]=3 1909 B11R1.24 COCCc1cccc(c1)F 34a_100000763591_200000210301 [0,1,0,0,0,0|2,0,0]=3 1910 B11R1.24 COCCc1cccc(c1)F 34a_100138415774_100011217235 [0,1,0,0,0,0|2,0,0]=3 1911 B11R1.24 COCCc1cccc(c1)F 7a_100000763591_200000210301 [0,1,0,0,0,0|2,0,0]=3 1912 B11R1.24 COCCc1cccc(c1)N 34a_100011996697_200000210301 [0,1,0,0,0,0|2,0,0]=3 1913 B11R1.24 COCCc1cccc(n1)Br 34a_100010221043_200000210301 [0,1,0,0,0,0|1,0,0]=2 1914 B11R1.24 COCCc1cccc(n1)Br 7a_100010221043_200000210301 [0,1,0,0,0,0|1,0,0]=2 1915 B11R1.24 COCNc1cccc(c1)C 2230a_100000188690_100000766300 [0,1,0,0,0,0|3,0,0]=4 1916 B11R1.24 COCOc1cccc(c1)O 271570a_203496583355_100012265688 [0,1,0,0,0,0|3,0,0]=4 1917 B11R1.24 COCSc1c[n+](ccn1)[O-] 62a_100000766300_100009880115 [0,1,0,0,0,0|3,0,0]=4 1918 B11R1.24 COCSc1cc(=O)[nH]cn1 62a_100012002517_100000766300 [0,1,0,0,0,0|3,0,0]=4 1919 B11R1.24 COCSc1cc(=O)cc[nH]1 62a_100009817434_100000766300 [0,1,0,0,0,0|2,0,1]=4 1920 B11R1.24 COCSc1cc(ccn1)C 62a_100000750283_100000766300 [0,1,0,0,0,0|2,0,0]=3 1921 B11R1.24 COCSc1cc(ccn1)C 62a_100000766300_100000750283 [0,1,0,0,0,0|2,0,0]=3 1922 B11R1.24 COCSc1cc(ccn1)Cl 62a_100000766300_100010167805 [0,1,0,0,0,0|2,0,0]=3 1923 B11R1.24 COCSc1cc(ccn1)Cl 62a_100010167805_100000766300 [0,1,0,0,0,0|2,0,0]=3 1924 B11R1.24 COCSc1cc(ccn1)F 62a_100000764206_100000766300 [0,1,0,0,0,0|2,0,0]=3 1925 B11R1.24 COCSc1cc(ccn1)F 62a_100000766300_100000764206 [0,1,0,0,0,0|2,0,0]=3 1926 B11R1.24 COCSc1cc(ccn1)N 62a_100000766300_100009814236 [0,1,0,0,0,0|2,0,0]=3 1927 B11R1.24 COCSc1cc(ccn1)N 62a_100009814236_100000766300 [0,1,0,0,0,0|2,0,0]=3 1928 B11R1.24 COCSc1cc(ccn1)O 62a_100000766300_100000762945 [0,1,0,0,0,0|2,0,0]=3 1929 B11R1.24 COCSc1cc(cnn1)C 62a_100000070100_100000766300 [0,1,0,0,0,0|3,0,0]=4 1930 B11R1.24 COCSc1cc(cnn1)C 62a_100000766300_100000070100 [0,1,0,0,0,0|3,0,0]=4 1931 B11R1.24 COCSc1cc(cnn1)N 62a_100000766300_100011996757 [0,1,0,0,0,0|3,0,0]=4 1932 B11R1.24 COCSc1cc(cnn1)N 62a_100011996757_100000766300 [0,1,0,0,0,0|3,0,0]=4 1933 B11R1.24 COCSc1cc(cnn1)O 62a_100000766300_200010734679 [0,1,0,0,0,0|3,0,0]=4 1934 B11R1.24 COCSc1cc(ncn1)C 62a_100000744208_100000766300 [0,1,0,0,0,0|3,0,0]=4 1935 B11R1.24 COCSc1cc(ncn1)C 62a_100000766300_100000744208 [0,1,0,0,0,0|3,0,0]=4 1936 B11R1.24 COCSc1cc(ncn1)Cl 62a_100000766300_100010161198 [0,1,0,0,0,0|3,0,0]=4 1937 B11R1.24 COCSc1cc(ncn1)Cl 62a_100010161198_100000766300 [0,1,0,0,0,0|3,0,0]=4 1938 B11R1.24 COCSc1cc(ncn1)F 62a_100000766300_200009880791 [0,1,0,0,0,0|3,0,0]=4 1939 B11R1.24 COCSc1cc(ncn1)F 62a_200009880791_100000766300 [0,1,0,0,0,0|3,0,0]=4 1940 B11R1.24 COCSc1cc(ncn1)N 62a_100000701291_100000766300 [0,1,0,0,0,0|3,0,0]=4 1941 B11R1.24 COCSc1cc(ncn1)N 62a_100000766300_100000701291 [0,1,0,0,0,0|3,0,0]=4 1942 B11R1.24 COCSc1cc(ncn1)O 62a_100000766300_100000765262 [0,1,0,0,0,0|3,0,0]=4 1943 B11R1.24 COCSc1cc[nH]c(=O)n1 62a_100000766300_200000134032 [0,1,0,0,0,0|3,0,0]=4 1944 B11R1.24 COCSc1cccc(=O)[nH]1 62a_100000766300_100000752884 [0,1,0,0,0,0|2,0,1]=4 1945 B11R1.24 COCSc1cccc(c1)Br 62a_100000691529_100000766300 [0,1,0,0,0,0|3,0,0]=4 1946 B11R1.24 COCSc1cccc(c1)Br 62a_100000766300_100000691529 [0,1,0,0,0,0|3,0,0]=4 1947 B11R1.24 COCSc1cccc(c1)C 62a_100000766300_100011215228 [0,1,0,0,0,0|3,0,0]=4 1948 B11R1.24 COCSc1cccc(c1)C 62a_100011215228_100000766300 [0,1,0,0,0,0|3,0,0]=4 1949 B11R1.24 COCSc1cccc(c1)Cl 62a_100000699651_100000766300 [0,1,0,0,0,0|3,0,0]=4 1950 B11R1.24 COCSc1cccc(c1)Cl 62a_100000766300_100000699651 [0,1,0,0,0,0|3,0,0]=4 1951 B11R1.24 COCSc1cccc(c1)F 62a_100000685547_100000766300 [0,1,0,0,0,0|3,0,0]=4 1952 B11R1.24 COCSc1cccc(c1)F 62a_100000766300_100000685547 [0,1,0,0,0,0|3,0,0]=4 1953 B11R1.24 COCSc1cccc(c1)N 62a_100000210019_100000766300 [0,1,0,0,0,0|3,0,0]=4 1954 B11R1.24 COCSc1cccc(c1)N 62a_100000766300_100000210019 [0,1,0,0,0,0|3,0,0]=4 1955 B11R1.24 COCSc1cccc(c1)O 62a_100000766300_100000211634 [0,1,0,0,0,0|3,0,0]=4 1956 B11R1.24 COCSc1cccc(c1)[S] 62a_100000766300_114929384022 [0,1,0,0,0,0|3,0,0]=4 1957 B11R1.24 COCSc1cccc(c1)[S] 62a_114929384022_100000766300 [0,1,0,0,0,0|3,0,0]=4 1958 B11R1.24 COCSc1cccc(n1)Br 62a_100000684672_100000766300 [0,1,0,0,0,0|2,0,0]=3 1959 B11R1.24 COCSc1cccc(n1)Br 62a_100000766300_100000684672 [0,1,0,0,0,0|2,0,0]=3 1960 B11R1.24 COCSc1cccc(n1)C 62a_100000742759_100000766300 [0,1,0,0,0,0|2,0,0]=3 1961 B11R1.24 COCSc1cccc(n1)C 62a_100000766300_100000742759 [0,1,0,0,0,0|2,0,0]=3 1962 B11R1.24 COCSc1cccc(n1)Cl 62a_100000051397_100000766300 [0,1,0,0,0,0|2,0,0]=3 1963 B11R1.24 COCSc1cccc(n1)Cl 62a_100000766300_100000051397 [0,1,0,0,0,0|2,0,0]=3 1964 B11R1.24 COCSc1cccc(n1)F 62a_100000766300_100009815982 [0,1,0,0,0,0|2,0,0]=3 1965 B11R1.24 COCSc1cccc(n1)F 62a_100009815982_100000766300 [0,1,0,0,0,0|2,0,0]=3 1966 B11R1.24 COCSc1cccc(n1)N 62a_100000740741_100000766300 [0,1,0,0,0,0|2,0,0]=3 1967 B11R1.24 COCSc1cccc(n1)N 62a_100000766300_100000740741 [0,1,0,0,0,0|2,0,0]=3 1968 B11R1.24 COCSc1ccnc(n1)C 62a_100000749937_100000766300 [0,1,0,0,0,0|3,0,0]=4 1969 B11R1.24 COCSc1ccnc(n1)C 62a_100000766300_100000749937 [0,1,0,0,0,0|3,0,0]=4 1970 B11R1.24 COCSc1ccnc(n1)Cl 62a_100000766300_100010154678 [0,1,0,0,0,0|3,0,0]=4 1971 B11R1.24 COCSc1ccnc(n1)Cl 62a_100010154678_100000766300 [0,1,0,0,0,0|3,0,0]=4 1972 B11R1.24 COCSc1ccnc(n1)N 62a_100000055538_100000766300 [0,1,0,0,0,0|3,0,0]=4 1973 B11R1.24 COCSc1ccnc(n1)N 62a_100000766300_100000055538 [0,1,0,0,0,0|3,0,0]=4 1974 B11R1.24 COCSc1cncc(n1)C 62a_100000754123_100000766300 [0,1,0,0,0,0|3,0,0]=4 1975 B11R1.24 COCSc1cncc(n1)C 62a_100000766300_100000754123 [0,1,0,0,0,0|3,0,0]=4 1976 B11R1.24 COCSc1cncc(n1)Cl 62a_100000766300_100010892449 [0,1,0,0,0,0|3,0,0]=4 1977 B11R1.24 COCSc1cncc(n1)Cl 62a_100010892449_100000766300 [0,1,0,0,0,0|3,0,0]=4 1978 B11R1.24 COCSc1cncc(n1)F 62a_100000766300_200009863489 [0,1,0,0,0,0|3,0,0]=4 1979 B11R1.24 COCSc1cncc(n1)F 62a_200009863489_100000766300 [0,1,0,0,0,0|3,0,0]=4 1980 B11R1.24 COCSc1cncc(n1)N 62a_100000747728_100000766300 [0,1,0,0,0,0|3,0,0]=4 1981 B11R1.24 COCSc1cncc(n1)N 62a_100000766300_100000747728 [0,1,0,0,0,0|3,0,0]=4 1982 B11R1.24 COCSc1cncc(n1)O 62a_100000766300_100011269956 [0,1,0,0,0,0|3,0,0]=4 1983 B11R1.24 COCSc1nccc(n1)C 62a_100000766300_100011243806 [0,1,0,0,0,0|3,0,0]=4 1984 B11R1.24 COCSc1nccc(n1)C 62a_100011243806_100000766300 [0,1,0,0,0,0|3,0,0]=4 1985 B11R1.24 COCSc1nccc(n1)N 62a_100000757536_100000766300 [0,1,0,0,0,0|3,0,0]=4 1986 B11R1.24 COCSc1nccc(n1)N 62a_100000766300_100000757536 [0,1,0,0,0,0|3,0,0]=4 1987 B11R1.24 COCSc1nccc(n1)O 62a_100000766300_100011649813 [0,1,0,0,0,0|3,0,0]=4 1988 B11R1.24 CSCCc1cccc(c1)Br 62a_100011740638_200000210301 [0,1,0,0,0,0|2,0,0]=3 1989 B11R1.24 CSCCc1cccc(c1)Br 62a_200000210301_100011740638 [0,1,0,0,0,0|2,0,0]=3 1990 B11R1.24 CSCCc1cccc(c1)C 62a_100011713685_200000210301 [0,1,0,0,0,0|2,0,0]=3 1991 B11R1.24 CSCCc1cccc(c1)C 62a_200000210301_100011713685 [0,1,0,0,0,0|2,0,0]=3 1992 B11R1.24 CSCCc1cccc(c1)Cl 62a_100011713710_200000210301 [0,1,0,0,0,0|2,0,0]=3 1993 B11R1.24 CSCCc1cccc(c1)Cl 62a_200000210301_100011713710 [0,1,0,0,0,0|2,0,0]=3 1994 B11R1.24 CSCCc1cccc(c1)F 62a_100011217235_200000210301 [0,1,0,0,0,0|2,0,0]=3 1995 B11R1.24 CSCCc1cccc(c1)F 62a_200000210301_100011217235 [0,1,0,0,0,0|2,0,0]=3 1996 B11R1.24 CSCNc1cccc(c1)Br 34a_100000210019_100011218213 [0,1,0,0,0,0|3,0,0]=4 1997 B11R1.24 CSCNc1cccc(c1)C 2230a_100000188690_100011218213 [0,1,0,0,0,0|3,0,0]=4 1998 B11R1.24 CSCNc1cccc(c1)C 34a_100000188690_100011218213 [0,1,0,0,0,0|3,0,0]=4 1999 B11R1.24 CSCNc1cccc(c1)Cl 34a_100000185859_100011218213 [0,1,0,0,0,0|3,0,0]=4 2000 B11R1.24 CSCNc1cccc(c1)F 34a_100000210047_100011218213 [0,1,0,0,0,0|3,0,0]=4 2001 B11R1.24 CSCNc1cccc(c1)I 34a_100000211102_100011218213 [0,1,0,0,0,0|3,0,0]=4 2002 B11R1.24 CSCNc1cccc(c1)O 34a_100000210217_100011218213 [0,1,0,0,0,0|3,0,0]=4 2003 B11R1.24 CSCOc1cc(cnn1)C 34a_100000766097_100011218213 [0,1,0,0,0,0|3,0,0]=4 2004 B11R1.24 CSCOc1cccc(=O)[nH]1 34a_100000033347_100011218213 [0,1,0,0,0,0|2,0,1]=4 2005 B11R1.24 CSCOc1cccc(c1)Br 34a_100000210342_100011218213 [0,1,0,0,0,0|3,0,0]=4 2006 B11R1.24 CSCOc1cccc(c1)C 34a_100000210337_100011218213 [0,1,0,0,0,0|3,0,0]=4 2007 B11R1.24 CSCOc1cccc(c1)Cl 34a_100000210295_100011218213 [0,1,0,0,0,0|3,0,0]=4 2008 B11R1.24 CSCOc1cccc(c1)F 34a_100000210426_100011218213 [0,1,0,0,0,0|3,0,0]=4 2009 B11R1.24 CSCOc1cccc(c1)I 34a_100000211634_100011218213 [0,1,0,0,0,0|3,0,0]=4 2010 B11R1.24 CSCOc1cccc(c1)N 34a_100000210217_100011218213 [0,1,0,0,0,0|3,0,0]=4 2011 B11R1.24 CSCOc1cccc(n1)F 34a_100011432558_100011218213 [0,1,0,0,0,0|2,0,0]=3 2012 B11R1.24 CSCSc1c[n+](ccn1)[O-] 62a_100011218213_100009880115 [0,1,0,0,0,0|3,0,0]=4 2013 B11R1.24 CSCSc1cc(=O)[nH]cn1 62a_100012002517_100011218213 [0,1,0,0,0,0|3,0,0]=4 2014 B11R1.24 CSCSc1cc(=O)cc[nH]1 62a_100009817434_100011218213 [0,1,0,0,0,0|2,0,1]=4 2015 B11R1.24 CSCSc1cc(ccn1)C 62a_100000750283_100011218213 [0,1,0,0,0,0|2,0,0]=3 2016 B11R1.24 CSCSc1cc(ccn1)C 62a_100011218213_100000750283 [0,1,0,0,0,0|2,0,0]=3 2017 B11R1.24 CSCSc1cc(ccn1)Cl 62a_100010167805_100011218213 [0,1,0,0,0,0|2,0,0]=3 2018 B11R1.24 CSCSc1cc(ccn1)Cl 62a_100011218213_100010167805 [0,1,0,0,0,0|2,0,0]=3 2019 B11R1.24 CSCSc1cc(ccn1)F 62a_100000764206_100011218213 [0,1,0,0,0,0|2,0,0]=3 2020 B11R1.24 CSCSc1cc(ccn1)F 62a_100011218213_100000764206 [0,1,0,0,0,0|2,0,0]=3 2021 B11R1.24 CSCSc1cc(ccn1)N 62a_100009814236_100011218213 [0,1,0,0,0,0|2,0,0]=3 2022 B11R1.24 CSCSc1cc(ccn1)N 62a_100011218213_100009814236 [0,1,0,0,0,0|2,0,0]=3 2023 B11R1.24 CSCSc1cc(ccn1)O 62a_100011218213_100000762945 [0,1,0,0,0,0|2,0,0]=3 2024 B11R1.24 CSCSc1cc(cnn1)C 62a_100000070100_100011218213 [0,1,0,0,0,0|3,0,0]=4 2025 B11R1.24 CSCSc1cc(cnn1)C 62a_100011218213_100000070100 [0,1,0,0,0,0|3,0,0]=4 2026 B11R1.24 CSCSc1cc(cnn1)N 62a_100011218213_100011996757 [0,1,0,0,0,0|3,0,0]=4 2027 B11R1.24 CSCSc1cc(cnn1)N 62a_100011996757_100011218213 [0,1,0,0,0,0|3,0,0]=4 2028 B11R1.24 CSCSc1cc(cnn1)O 62a_100011218213_200010734679 [0,1,0,0,0,0|3,0,0]=4 2029 B11R1.24 CSCSc1cc(ncn1)C 62a_100000744208_100011218213 [0,1,0,0,0,0|3,0,0]=4 2030 B11R1.24 CSCSc1cc(ncn1)C 62a_100011218213_100000744208 [0,1,0,0,0,0|3,0,0]=4 2031 B11R1.24 CSCSc1cc(ncn1)Cl 62a_100010161198_100011218213 [0,1,0,0,0,0|3,0,0]=4 2032 B11R1.24 CSCSc1cc(ncn1)Cl 62a_100011218213_100010161198 [0,1,0,0,0,0|3,0,0]=4 2033 B11R1.24 CSCSc1cc(ncn1)F 62a_100011218213_200009880791 [0,1,0,0,0,0|3,0,0]=4 2034 B11R1.24 CSCSc1cc(ncn1)F 62a_200009880791_100011218213 [0,1,0,0,0,0|3,0,0]=4 2035 B11R1.24 CSCSc1cc(ncn1)N 62a_100000701291_100011218213 [0,1,0,0,0,0|3,0,0]=4 2036 B11R1.24 CSCSc1cc(ncn1)N 62a_100011218213_100000701291 [0,1,0,0,0,0|3,0,0]=4 2037 B11R1.24 CSCSc1cc(ncn1)O 62a_100011218213_100000765262 [0,1,0,0,0,0|3,0,0]=4 2038 B11R1.24 CSCSc1cc[nH]c(=O)n1 62a_100011218213_200000134032 [0,1,0,0,0,0|3,0,0]=4 2039 B11R1.24 CSCSc1cccc(=O)[nH]1 62a_100011218213_100000752884 [0,1,0,0,0,0|2,0,1]=4 2040 B11R1.24 CSCSc1cccc(c1)Br 62a_100000691529_100011218213 [0,1,0,0,0,0|3,0,0]=4 2041 B11R1.24 CSCSc1cccc(c1)Br 62a_100011218213_100000691529 [0,1,0,0,0,0|3,0,0]=4 2042 B11R1.24 CSCSc1cccc(c1)C 62a_100011215228_100011218213 [0,1,0,0,0,0|3,0,0]=4 2043 B11R1.24 CSCSc1cccc(c1)C 62a_100011218213_100011215228 [0,1,0,0,0,0|3,0,0]=4 2044 B11R1.24 CSCSc1cccc(c1)Cl 62a_100000699651_100011218213 [0,1,0,0,0,0|3,0,0]=4 2045 B11R1.24 CSCSc1cccc(c1)Cl 62a_100011218213_100000699651 [0,1,0,0,0,0|3,0,0]=4 2046 B11R1.24 CSCSc1cccc(c1)F 62a_100000685547_100011218213 [0,1,0,0,0,0|3,0,0]=4 2047 B11R1.24 CSCSc1cccc(c1)F 62a_100011218213_100000685547 [0,1,0,0,0,0|3,0,0]=4 2048 B11R1.24 CSCSc1cccc(c1)N 62a_100000210019_100011218213 [0,1,0,0,0,0|3,0,0]=4 2049 B11R1.24 CSCSc1cccc(c1)N 62a_100011218213_100000210019 [0,1,0,0,0,0|3,0,0]=4 2050 B11R1.24 CSCSc1cccc(c1)O 62a_100011218213_100000211634 [0,1,0,0,0,0|3,0,0]=4 2051 B11R1.24 CSCSc1cccc(c1)[S] 62a_100011218213_114929384022 [0,1,0,0,0,0|3,0,0]=4 2052 B11R1.24 CSCSc1cccc(c1)[S] 62a_114929384022_100011218213 [0,1,0,0,0,0|3,0,0]=4 2053 B11R1.24 CSCSc1cccc(n1)Br 62a_100000684672_100011218213 [0,1,0,0,0,0|2,0,0]=3 2054 B11R1.24 CSCSc1cccc(n1)Br 62a_100011218213_100000684672 [0,1,0,0,0,0|2,0,0]=3 2055 B11R1.24 CSCSc1cccc(n1)C 62a_100000742759_100011218213 [0,1,0,0,0,0|2,0,0]=3 2056 B11R1.24 CSCSc1cccc(n1)C 62a_100011218213_100000742759 [0,1,0,0,0,0|2,0,0]=3 2057 B11R1.24 CSCSc1cccc(n1)Cl 62a_100000051397_100011218213 [0,1,0,0,0,0|2,0,0]=3 2058 B11R1.24 CSCSc1cccc(n1)Cl 62a_100011218213_100000051397 [0,1,0,0,0,0|2,0,0]=3 2059 B11R1.24 CSCSc1cccc(n1)F 62a_100009815982_100011218213 [0,1,0,0,0,0|2,0,0]=3 2060 B11R1.24 CSCSc1cccc(n1)F 62a_100011218213_100009815982 [0,1,0,0,0,0|2,0,0]=3 2061 B11R1.24 CSCSc1cccc(n1)N 62a_100000740741_100011218213 [0,1,0,0,0,0|2,0,0]=3 2062 B11R1.24 CSCSc1cccc(n1)N 62a_100011218213_100000740741 [0,1,0,0,0,0|2,0,0]=3 2063 B11R1.24 CSCSc1ccnc(n1)C 62a_100000749937_100011218213 [0,1,0,0,0,0|3,0,0]=4 2064 B11R1.24 CSCSc1ccnc(n1)C 62a_100011218213_100000749937 [0,1,0,0,0,0|3,0,0]=4 2065 B11R1.24 CSCSc1ccnc(n1)Cl 62a_100010154678_100011218213 [0,1,0,0,0,0|3,0,0]=4 2066 B11R1.24 CSCSc1ccnc(n1)Cl 62a_100011218213_100010154678 [0,1,0,0,0,0|3,0,0]=4 2067 B11R1.24 CSCSc1ccnc(n1)N 62a_100000055538_100011218213 [0,1,0,0,0,0|3,0,0]=4 2068 B11R1.24 CSCSc1ccnc(n1)N 62a_100011218213_100000055538 [0,1,0,0,0,0|3,0,0]=4 2069 B11R1.24 CSCSc1cncc(n1)C 62a_100000754123_100011218213 [0,1,0,0,0,0|3,0,0]=4 2070 B11R1.24 CSCSc1cncc(n1)C 62a_100011218213_100000754123 [0,1,0,0,0,0|3,0,0]=4 2071 B11R1.24 CSCSc1cncc(n1)Cl 62a_100010892449_100011218213 [0,1,0,0,0,0|3,0,0]=4 2072 B11R1.24 CSCSc1cncc(n1)Cl 62a_100011218213_100010892449 [0,1,0,0,0,0|3,0,0]=4 2073 B11R1.24 CSCSc1cncc(n1)F 62a_100011218213_200009863489 [0,1,0,0,0,0|3,0,0]=4 2074 B11R1.24 CSCSc1cncc(n1)F 62a_200009863489_100011218213 [0,1,0,0,0,0|3,0,0]=4 2075 B11R1.24 CSCSc1cncc(n1)N 62a_100000747728_100011218213 [0,1,0,0,0,0|3,0,0]=4 2076 B11R1.24 CSCSc1cncc(n1)N 62a_100011218213_100000747728 [0,1,0,0,0,0|3,0,0]=4 2077 B11R1.24 CSCSc1cncc(n1)O 62a_100011218213_100011269956 [0,1,0,0,0,0|3,0,0]=4 2078 B11R1.24 CSCSc1nccc(n1)C 62a_100011218213_100011243806 [0,1,0,0,0,0|3,0,0]=4 2079 B11R1.24 CSCSc1nccc(n1)C 62a_100011243806_100011218213 [0,1,0,0,0,0|3,0,0]=4 2080 B11R1.24 CSCSc1nccc(n1)N 62a_100000757536_100011218213 [0,1,0,0,0,0|3,0,0]=4 2081 B11R1.24 CSCSc1nccc(n1)N 62a_100011218213_100000757536 [0,1,0,0,0,0|3,0,0]=4 2082 B11R1.24 CSCSc1nccc(n1)O 62a_100011218213_100011649813 [0,1,0,0,0,0|3,0,0]=4 2083 B11R1.24 Cc1cccc(c1)CCN[13CH3] 2230a_100000749837_200025704644 [0,1,0,0,0,0|1,0,0]=2 2084 B11R1.24 Cc1cccc(c1)CCN[13CH3] 34a_100000749837_200025704644 [0,1,0,0,0,0|1,0,0]=2 2085 B11R1.24 Cc1cccc(c1)CCO[13CH3] 34a_100011217157_200025704644 [0,1,0,0,0,0|2,0,0]=3 2086 B11R1.24 Cc1cccc(c1)CCO[13CH3] 7a_100011217157_200025704644 [0,1,0,0,0,0|2,0,0]=3 2087 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_100011713685_200025704644 [0,1,0,0,0,0|2,0,0]=3 2088 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713685 [0,1,0,0,0,0|2,0,0]=3 2089 B11R1.24 Cc1cccc(n1)CCN[13CH3] 2230a_100011824523_200025704644 [0,1,0,0,0,0|0,0,0]=1 2090 B11R1.24 Cc1cccc(n1)CCN[13CH3] 34a_100011824523_200025704644 [0,1,0,0,0,0|0,0,0]=1 2091 B11R1.24 Cc1cccc(n1)CNCF 34a_100000701342_100015361967 [0,1,0,0,0,0|3,0,0]=4 2092 B11R1.24 Cc1cccc(n1)COCF 34a_100000690600_100015361967 [0,1,0,0,0,0|3,0,0]=4 2093 B11R1.24 Cc1cccc(n1)CSCF 62a_100000757606_100015361967 [0,1,0,0,0,0|3,0,0]=4 2094 B11R1.24 Cc1cccc(n1)CSCF 62a_100015361967_100000757606 [0,1,0,0,0,0|3,0,0]=4 2095 B11R1.24 Cc1cccc(n1)SCC#N 62a_100000742759_100011215382 [0,1,0,0,0,0|3,0,0]=4 2096 B11R1.24 Cc1cccc(n1)SCC#N 62a_100011215382_100000742759 [0,1,0,0,0,0|3,0,0]=4 2097 B11R1.24 Cc1cccc(n1)SCC=O 62a_100000742759_200015260668 [0,1,0,0,0,0|3,0,0]=4 2098 B11R1.24 Cc1cccc(n1)SCC=O 62a_200015260668_100000742759 [0,1,0,0,0,0|3,0,0]=4 2099 B11R1.24 Cc1cccc(n1)SCCF 62a_100000742759_100011217306 [0,1,0,0,0,0|3,0,0]=4 2100 B11R1.24 Cc1cccc(n1)SCCF 62a_100011217306_100000742759 [0,1,0,0,0,0|3,0,0]=4 2101 B11R1.24 Cc1cccc(n1)SCCO 62a_100000211926_100000742759 [0,1,0,0,0,0|3,0,0]=4 2102 B11R1.24 Cc1cccc(n1)SCCO 62a_100000742759_100000211926 [0,1,0,0,0,0|3,0,0]=4 2103 B11R1.24 Cc1ccnc(c1)COCF 34a_100011998357_100015361967 [0,1,0,0,0,0|3,0,0]=4 2104 B11R1.24 Cc1ccnc(c1)CSCF 62a_100000718516_100015361967 [0,1,0,0,0,0|3,0,0]=4 2105 B11R1.24 Cc1ccnc(c1)CSCF 62a_100015361967_100000718516 [0,1,0,0,0,0|3,0,0]=4 2106 B11R1.24 Cc1ccnc(c1)SCC#N 62a_100000750283_100011215382 [0,1,0,0,0,0|3,0,0]=4 2107 B11R1.24 Cc1ccnc(c1)SCC#N 62a_100011215382_100000750283 [0,1,0,0,0,0|3,0,0]=4 2108 B11R1.24 Cc1ccnc(c1)SCC=O 62a_100000750283_200015260668 [0,1,0,0,0,0|3,0,0]=4 2109 B11R1.24 Cc1ccnc(c1)SCC=O 62a_200015260668_100000750283 [0,1,0,0,0,0|3,0,0]=4 2110 B11R1.24 Cc1ccnc(c1)SCCF 62a_100000750283_100011217306 [0,1,0,0,0,0|3,0,0]=4 2111 B11R1.24 Cc1ccnc(c1)SCCF 62a_100011217306_100000750283 [0,1,0,0,0,0|3,0,0]=4 2112 B11R1.24 Cc1ccnc(c1)SCCO 62a_100000211926_100000750283 [0,1,0,0,0,0|3,0,0]=4 2113 B11R1.24 Cc1ccnc(c1)SCCO 62a_100000750283_100000211926 [0,1,0,0,0,0|3,0,0]=4 2114 B11R1.24 FCCOc1cccc(n1)F 34a_100011432558_100011217306 [0,1,0,0,0,0|3,0,0]=4 2115 B11R1.24 FCCSc1cc(ccn1)Cl 62a_100010167805_100011217306 [0,1,0,0,0,0|3,0,0]=4 2116 B11R1.24 FCCSc1cc(ccn1)Cl 62a_100011217306_100010167805 [0,1,0,0,0,0|3,0,0]=4 2117 B11R1.24 FCCSc1cc(ccn1)F 62a_100000764206_100011217306 [0,1,0,0,0,0|3,0,0]=4 2118 B11R1.24 FCCSc1cc(ccn1)F 62a_100011217306_100000764206 [0,1,0,0,0,0|3,0,0]=4 2119 B11R1.24 FCCSc1cccc(n1)Br 62a_100000684672_100011217306 [0,1,0,0,0,0|3,0,0]=4 2120 B11R1.24 FCCSc1cccc(n1)Br 62a_100011217306_100000684672 [0,1,0,0,0,0|3,0,0]=4 2121 B11R1.24 FCCSc1cccc(n1)Cl 62a_100000051397_100011217306 [0,1,0,0,0,0|3,0,0]=4 2122 B11R1.24 FCCSc1cccc(n1)Cl 62a_100011217306_100000051397 [0,1,0,0,0,0|3,0,0]=4 2123 B11R1.24 FCCSc1cccc(n1)F 62a_100009815982_100011217306 [0,1,0,0,0,0|3,0,0]=4 2124 B11R1.24 FCCSc1cccc(n1)F 62a_100011217306_100009815982 [0,1,0,0,0,0|3,0,0]=4 2125 B11R1.24 FCNCc1cccc(n1)F 34a_100015188798_100015361967 [0,1,0,0,0,0|3,0,0]=4 2126 B11R1.24 FCOCc1cc(ccn1)Cl 34a_100000748867_100015361967 [0,1,0,0,0,0|3,0,0]=4 2127 B11R1.24 FCOCc1cccc(n1)Br 34a_100000694195_100015361967 [0,1,0,0,0,0|3,0,0]=4 2128 B11R1.24 FCOCc1cccc(n1)Cl 34a_100011998359_100015361967 [0,1,0,0,0,0|3,0,0]=4 2129 B11R1.24 FCOCc1cccc(n1)F 34a_100000086748_100015361967 [0,1,0,0,0,0|3,0,0]=4 2130 B11R1.24 FCSCc1cc(ccn1)Br 62a_100010173614_100015361967 [0,1,0,0,0,0|3,0,0]=4 2131 B11R1.24 FCSCc1cc(ccn1)Br 62a_100015361967_100010173614 [0,1,0,0,0,0|3,0,0]=4 2132 B11R1.24 FCSCc1cc(ccn1)Cl 62a_100015361967_100016988179 [0,1,0,0,0,0|3,0,0]=4 2133 B11R1.24 FCSCc1cc(ccn1)Cl 62a_100016988179_100015361967 [0,1,0,0,0,0|3,0,0]=4 2134 B11R1.24 FCSCc1cccc(n1)Br 62a_100009889011_100015361967 [0,1,0,0,0,0|3,0,0]=4 2135 B11R1.24 FCSCc1cccc(n1)Br 62a_100015361967_100009889011 [0,1,0,0,0,0|3,0,0]=4 2136 B11R1.24 FCSCc1cccc(n1)Cl 62a_100000086093_100015361967 [0,1,0,0,0,0|3,0,0]=4 2137 B11R1.24 FCSCc1cccc(n1)Cl 62a_100015361967_100000086093 [0,1,0,0,0,0|3,0,0]=4 2138 B11R1.24 FCSCc1cccc(n1)F 62a_100009819644_100015361967 [0,1,0,0,0,0|3,0,0]=4 2139 B11R1.24 FCSCc1cccc(n1)F 62a_100015361967_100009819644 [0,1,0,0,0,0|3,0,0]=4 2140 B11R1.24 N#CCCc1cccc(c1)O 271570a_203496583355_100011219771 [0,1,0,0,0,0|3,0,0]=4 2141 B11R1.24 N#CCSc1cc(ccn1)Cl 62a_100010167805_100011215382 [0,1,0,0,0,0|3,0,0]=4 2142 B11R1.24 N#CCSc1cc(ccn1)Cl 62a_100011215382_100010167805 [0,1,0,0,0,0|3,0,0]=4 2143 B11R1.24 N#CCSc1cc(ccn1)F 62a_100000764206_100011215382 [0,1,0,0,0,0|3,0,0]=4 2144 B11R1.24 N#CCSc1cc(ccn1)F 62a_100011215382_100000764206 [0,1,0,0,0,0|3,0,0]=4 2145 B11R1.24 N#CCSc1cc(ccn1)N 62a_100009814236_100011215382 [0,1,0,0,0,0|3,0,0]=4 2146 B11R1.24 N#CCSc1cc(ccn1)N 62a_100011215382_100009814236 [0,1,0,0,0,0|3,0,0]=4 2147 B11R1.24 N#CCSc1cc(ccn1)O 62a_100011215382_100000762945 [0,1,0,0,0,0|3,0,0]=4 2148 B11R1.24 N#CCSc1cccc(n1)Br 62a_100000684672_100011215382 [0,1,0,0,0,0|3,0,0]=4 2149 B11R1.24 N#CCSc1cccc(n1)Br 62a_100011215382_100000684672 [0,1,0,0,0,0|3,0,0]=4 2150 B11R1.24 N#CCSc1cccc(n1)Cl 62a_100000051397_100011215382 [0,1,0,0,0,0|3,0,0]=4 2151 B11R1.24 N#CCSc1cccc(n1)Cl 62a_100011215382_100000051397 [0,1,0,0,0,0|3,0,0]=4 2152 B11R1.24 N#CCSc1cccc(n1)F 62a_100009815982_100011215382 [0,1,0,0,0,0|3,0,0]=4 2153 B11R1.24 N#CCSc1cccc(n1)F 62a_100011215382_100009815982 [0,1,0,0,0,0|3,0,0]=4 2154 B11R1.24 N#CCSc1cccc(n1)N 62a_100000740741_100011215382 [0,1,0,0,0,0|3,0,0]=4 2155 B11R1.24 N#CCSc1cccc(n1)N 62a_100011215382_100000740741 [0,1,0,0,0,0|3,0,0]=4 2156 B11R1.24 NCCCc1cccc(c1)O 271570a_203496583355_100000753791 [0,1,0,0,0,0|3,0,0]=4 2157 B11R1.24 Nc1cccc(n1)SCC=O 62a_100000740741_200015260668 [0,1,0,0,0,0|3,0,0]=4 2158 B11R1.24 Nc1cccc(n1)SCC=O 62a_200015260668_100000740741 [0,1,0,0,0,0|3,0,0]=4 2159 B11R1.24 Nc1cccc(n1)SCCF 62a_100000740741_100011217306 [0,1,0,0,0,0|3,0,0]=4 2160 B11R1.24 Nc1cccc(n1)SCCF 62a_100011217306_100000740741 [0,1,0,0,0,0|3,0,0]=4 2161 B11R1.24 Nc1cccc(n1)SCCO 62a_100000211926_100000740741 [0,1,0,0,0,0|3,0,0]=4 2162 B11R1.24 Nc1cccc(n1)SCCO 62a_100000740741_100000211926 [0,1,0,0,0,0|3,0,0]=4 2163 B11R1.24 Nc1ccnc(c1)COCF 34a_100000692640_100015361967 [0,1,0,0,0,0|3,0,0]=4 2164 B11R1.24 Nc1ccnc(c1)SCC=O 62a_100009814236_200015260668 [0,1,0,0,0,0|3,0,0]=4 2165 B11R1.24 Nc1ccnc(c1)SCC=O 62a_200015260668_100009814236 [0,1,0,0,0,0|3,0,0]=4 2166 B11R1.24 Nc1ccnc(c1)SCCF 62a_100009814236_100011217306 [0,1,0,0,0,0|3,0,0]=4 2167 B11R1.24 Nc1ccnc(c1)SCCF 62a_100011217306_100009814236 [0,1,0,0,0,0|3,0,0]=4 2168 B11R1.24 Nc1ccnc(c1)SCCO 62a_100000211926_100009814236 [0,1,0,0,0,0|3,0,0]=4 2169 B11R1.24 Nc1ccnc(c1)SCCO 62a_100009814236_100000211926 [0,1,0,0,0,0|3,0,0]=4 2170 B11R1.24 O=CCOc1cccc(n1)F 34a_100011432558_200009817547 [0,1,0,0,0,0|3,0,0]=4 2171 B11R1.24 O=CCSc1cc(ccn1)Cl 62a_100010167805_200015260668 [0,1,0,0,0,0|3,0,0]=4 2172 B11R1.24 O=CCSc1cc(ccn1)Cl 62a_200015260668_100010167805 [0,1,0,0,0,0|3,0,0]=4 2173 B11R1.24 O=CCSc1cc(ccn1)F 62a_100000764206_200015260668 [0,1,0,0,0,0|3,0,0]=4 2174 B11R1.24 O=CCSc1cc(ccn1)F 62a_200015260668_100000764206 [0,1,0,0,0,0|3,0,0]=4 2175 B11R1.24 O=CCSc1cc(ccn1)O 62a_200015260668_100000762945 [0,1,0,0,0,0|3,0,0]=4 2176 B11R1.24 O=CCSc1cccc(n1)Br 62a_100000684672_200015260668 [0,1,0,0,0,0|3,0,0]=4 2177 B11R1.24 O=CCSc1cccc(n1)Br 62a_200015260668_100000684672 [0,1,0,0,0,0|3,0,0]=4 2178 B11R1.24 O=CCSc1cccc(n1)Cl 62a_100000051397_200015260668 [0,1,0,0,0,0|3,0,0]=4 2179 B11R1.24 O=CCSc1cccc(n1)Cl 62a_200015260668_100000051397 [0,1,0,0,0,0|3,0,0]=4 2180 B11R1.24 O=CCSc1cccc(n1)F 62a_100009815982_200015260668 [0,1,0,0,0,0|3,0,0]=4 2181 B11R1.24 O=CCSc1cccc(n1)F 62a_200015260668_100009815982 [0,1,0,0,0,0|3,0,0]=4 2182 B11R1.24 OCCCc1cccc(c1)O 271570a_203496583355_100011709248 [0,1,0,0,0,0|3,0,0]=4 2183 B11R1.24 OCCNc1cc(ccn1)F 27a_100000210304_100000764206 [0,1,0,0,0,0|3,0,0]=4 2184 B11R1.24 OCCNc1cccc(n1)F 27a_100000210304_100009815982 [0,1,0,0,0,0|3,0,0]=4 2185 B11R1.24 OCCNc1cccc(n1)O 271570a_203496583355_200011880208 [0,1,0,0,0,0|3,0,0]=4 2186 B11R1.24 OCCOc1cccc(n1)F 34a_100011432558_100000211926 [0,1,0,0,0,0|3,0,0]=4 2187 B11R1.24 OCCSc1cc(ccn1)Cl 62a_100000211926_100010167805 [0,1,0,0,0,0|3,0,0]=4 2188 B11R1.24 OCCSc1cc(ccn1)Cl 62a_100010167805_100000211926 [0,1,0,0,0,0|3,0,0]=4 2189 B11R1.24 OCCSc1cc(ccn1)F 62a_100000211926_100000764206 [0,1,0,0,0,0|3,0,0]=4 2190 B11R1.24 OCCSc1cc(ccn1)F 62a_100000764206_100000211926 [0,1,0,0,0,0|3,0,0]=4 2191 B11R1.24 OCCSc1cc(ccn1)O 62a_100000211926_100000762945 [0,1,0,0,0,0|3,0,0]=4 2192 B11R1.24 OCCSc1cccc(n1)Br 62a_100000211926_100000684672 [0,1,0,0,0,0|3,0,0]=4 2193 B11R1.24 OCCSc1cccc(n1)Br 62a_100000684672_100000211926 [0,1,0,0,0,0|3,0,0]=4 2194 B11R1.24 OCCSc1cccc(n1)Cl 62a_100000051397_100000211926 [0,1,0,0,0,0|3,0,0]=4 2195 B11R1.24 OCCSc1cccc(n1)Cl 62a_100000211926_100000051397 [0,1,0,0,0,0|3,0,0]=4 2196 B11R1.24 OCCSc1cccc(n1)F 62a_100000211926_100009815982 [0,1,0,0,0,0|3,0,0]=4 2197 B11R1.24 OCCSc1cccc(n1)F 62a_100009815982_100000211926 [0,1,0,0,0,0|3,0,0]=4 2198 B11R1.24 Oc1ccnc(c1)SCCF 62a_100011217306_100000762945 [0,1,0,0,0,0|3,0,0]=4 2199 B11R1.24 [13CH3]NCCc1cccc(c1)Br 2230a_100011207229_200025704644 [0,1,0,0,0,0|1,0,0]=2 2200 B11R1.24 [13CH3]NCCc1cccc(c1)Br 34a_100011207229_200025704644 [0,1,0,0,0,0|1,0,0]=2 2201 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 2230a_100000185263_200025704644 [0,1,0,0,0,0|1,0,0]=2 2202 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 34a_100000185263_200025704644 [0,1,0,0,0,0|1,0,0]=2 2203 B11R1.24 [13CH3]NCCc1cccc(c1)F 2230a_100000205154_200025704644 [0,1,0,0,0,0|1,0,0]=2 2204 B11R1.24 [13CH3]NCCc1cccc(c1)F 34a_100000205154_200025704644 [0,1,0,0,0,0|1,0,0]=2 2205 B11R1.24 [13CH3]NCCc1cccc(c1)O 2230a_100000747277_200025704644 [0,1,0,0,0,0|1,0,0]=2 2206 B11R1.24 [13CH3]NCCc1cccc(c1)O 34a_100000747277_200025704644 [0,1,0,0,0,0|1,0,0]=2 2207 B11R1.24 [13CH3]OCCc1cccc(c1)Br 34a_100011217444_200025704644 [0,1,0,0,0,0|2,0,0]=3 2208 B11R1.24 [13CH3]OCCc1cccc(c1)Br 7a_100011217444_200025704644 [0,1,0,0,0,0|2,0,0]=3 2209 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 34a_100000754733_200025704644 [0,1,0,0,0,0|2,0,0]=3 2210 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 7a_100000754733_200025704644 [0,1,0,0,0,0|2,0,0]=3 2211 B11R1.24 [13CH3]OCCc1cccc(c1)F 34a_100000763591_200025704644 [0,1,0,0,0,0|2,0,0]=3 2212 B11R1.24 [13CH3]OCCc1cccc(c1)F 7a_100000763591_200025704644 [0,1,0,0,0,0|2,0,0]=3 2213 B11R1.24 [13CH3]OCCc1cccc(c1)N 34a_100011996697_200025704644 [0,1,0,0,0,0|2,0,0]=3 2214 B11R1.24 [13CH3]OCCc1cccc(n1)Br 34a_100010221043_200025704644 [0,1,0,0,0,0|1,0,0]=2 2215 B11R1.24 [13CH3]OCCc1cccc(n1)Br 7a_100010221043_200025704644 [0,1,0,0,0,0|1,0,0]=2 2216 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_100011740638_200025704644 [0,1,0,0,0,0|2,0,0]=3 2217 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_200025704644_100011740638 [0,1,0,0,0,0|2,0,0]=3 2218 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_100011713710_200025704644 [0,1,0,0,0,0|2,0,0]=3 2219 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_200025704644_100011713710 [0,1,0,0,0,0|2,0,0]=3 2220 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_100011217235_200025704644 [0,1,0,0,0,0|2,0,0]=3 2221 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_200025704644_100011217235 [0,1,0,0,0,0|2,0,0]=3 2222 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [0,1,0,0,0,0|3,0,0]=4 2223 B11R1.28 BrCCOCc1ccccn1 34a_100000211926_100000721315 [0,1,0,0,0,0|2,0,0]=3 2224 B11R1.28 BrCCOCc1cccnn1 34a_100000211926_100016990269 [0,1,0,0,0,0|3,0,0]=4 2225 B11R1.28 BrCCOCc1cnccn1 34a_100000211926_100016995436 [0,1,0,0,0,0|3,0,0]=4 2226 B11R1.28 BrCCOCc1ncccn1 34a_100000211926_100000703007 [0,1,0,0,0,0|3,0,0]=4 2227 B11R1.28 C#CCCNc1ccccc1 34a_100000106764_100000688953 [0,1,0,0,0,0|2,0,1]=4 2228 B11R1.28 C#CCCNc1cccnn1 27a_100000755551_100016991348 [0,1,0,0,0,0|2,0,1]=4 2229 B11R1.28 C#CCCNc1ccncn1 27a_100000755551_100000703185 [0,1,0,0,0,0|2,0,1]=4 2230 B11R1.28 C#CCCNc1cnccn1 27a_100000755551_100000211759 [0,1,0,0,0,0|2,0,1]=4 2231 B11R1.28 C#CCCNc1ncccn1 27a_100000755551_100000211032 [0,1,0,0,0,0|2,0,1]=4 2232 B11R1.28 C#CCCOc1ccccc1 34a_100000210340_100000688953 [0,1,0,0,0,0|2,0,1]=4 2233 B11R1.28 C#CCCOc1ccccc1 7a_100000210340_100000688953 [0,1,0,0,0,0|2,0,1]=4 2234 B11R1.28 C#CCCSc1ccccc1 62a_100000688953_100000041952 [0,1,0,0,0,0|2,0,1]=4 2235 B11R1.28 C#CCCSc1ccccc1 62a_100000719477_100000688953 [0,1,0,0,0,0|2,0,1]=4 2236 B11R1.28 C#CCCSc1ccccn1 62a_100000688953_100011216584 [0,1,0,0,0,0|1,0,1]=3 2237 B11R1.28 C#CCCSc1ccccn1 62a_100011216584_100000688953 [0,1,0,0,0,0|1,0,1]=3 2238 B11R1.28 C#CCCSc1cccnn1 62a_100000688953_100016991348 [0,1,0,0,0,0|2,0,1]=4 2239 B11R1.28 C#CCCSc1cccnn1 62a_100016991348_100000688953 [0,1,0,0,0,0|2,0,1]=4 2240 B11R1.28 C#CCCSc1ccncn1 62a_100000688953_100000703185 [0,1,0,0,0,0|2,0,1]=4 2241 B11R1.28 C#CCCSc1ccncn1 62a_100000703185_100000688953 [0,1,0,0,0,0|2,0,1]=4 2242 B11R1.28 C#CCCSc1cnccn1 62a_100000211759_100000688953 [0,1,0,0,0,0|2,0,1]=4 2243 B11R1.28 C#CCCSc1cnccn1 62a_100000688953_100000211759 [0,1,0,0,0,0|2,0,1]=4 2244 B11R1.28 C#CCCSc1ncccn1 62a_100000211032_100000688953 [0,1,0,0,0,0|2,0,1]=4 2245 B11R1.28 C#CCCSc1ncccn1 62a_100000688953_100000211032 [0,1,0,0,0,0|2,0,1]=4 2246 B11R1.28 C#CCNCc1ccccc1 2230a_100015324214_100000038162 [0,1,0,0,0,0|2,0,1]=4 2247 B11R1.28 C#CCNCc1ccccc1 34a_100000212058_100015291786 [0,1,0,0,0,0|2,0,1]=4 2248 B11R1.28 C#CCNCc1ccccc1 34a_100015324214_100000184674 [0,1,0,0,0,0|2,0,1]=4 2249 B11R1.28 C#CCNCc1ccccn1 34a_100000212058_100000721315 [0,1,0,0,0,0|1,0,1]=3 2250 B11R1.28 C#CCNCc1cccnn1 2230a_100159270163_100000038162 [0,1,0,0,0,0|2,0,1]=4 2251 B11R1.28 C#CCNCc1cccnn1 34a_100000212058_100016990269 [0,1,0,0,0,0|2,0,1]=4 2252 B11R1.28 C#CCNCc1cnccn1 34a_100000212058_100016995436 [0,1,0,0,0,0|2,0,1]=4 2253 B11R1.28 C#CCNCc1ncccn1 34a_100000212058_100000703007 [0,1,0,0,0,0|2,0,1]=4 2254 B11R1.28 C#CCOCc1ccccc1 34a_100000210247_100015291786 [0,1,0,0,0,0|2,0,1]=4 2255 B11R1.28 C#CCOCc1ccccc1 34a_100000210790_100000184674 [0,1,0,0,0,0|2,0,1]=4 2256 B11R1.28 C#CCOCc1ccccc1 7a_100000210790_100000038162 [0,1,0,0,0,0|2,0,1]=4 2257 B11R1.28 C#CCOCc1ccccn1 34a_100000210247_100000721315 [0,1,0,0,0,0|1,0,1]=3 2258 B11R1.28 C#CCOCc1cccnn1 34a_100000210247_100016990269 [0,1,0,0,0,0|2,0,1]=4 2259 B11R1.28 C#CCOCc1cnccn1 34a_100000210247_100016995436 [0,1,0,0,0,0|2,0,1]=4 2260 B11R1.28 C#CCOCc1ncccn1 34a_100000210247_100000703007 [0,1,0,0,0,0|2,0,1]=4 2261 B11R1.28 C#CCSCc1ccccc1 62a_100000038162_100015291786 [0,1,0,0,0,0|2,0,1]=4 2262 B11R1.28 C#CCSCc1ccccn1 62a_100000038162_100000721315 [0,1,0,0,0,0|1,0,1]=3 2263 B11R1.28 C#CCSCc1cccnn1 62a_100000038162_100016990269 [0,1,0,0,0,0|2,0,1]=4 2264 B11R1.28 C#CCSCc1cnccn1 62a_100000038162_100016995436 [0,1,0,0,0,0|2,0,1]=4 2265 B11R1.28 C#CCSCc1ncccn1 62a_100000038162_100000703007 [0,1,0,0,0,0|2,0,1]=4 2266 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [0,1,0,0,0,0|2,0,1]=4 2267 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [0,1,0,0,0,0|2,0,1]=4 2268 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [0,1,0,0,0,0|2,0,1]=4 2269 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [0,1,0,0,0,0|2,0,1]=4 2270 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [0,1,0,0,0,0|2,0,1]=4 2271 B11R1.28 C/C=C/CSc1ccccn1 62a_100011216584_100102629194 [0,1,0,0,0,0|1,0,1]=3 2272 B11R1.28 C/C=C/CSc1ccccn1 62a_100102629194_100011216584 [0,1,0,0,0,0|1,0,1]=3 2273 B11R1.28 C/C=C/CSc1cccnn1 62a_100016991348_100102629194 [0,1,0,0,0,0|2,0,1]=4 2274 B11R1.28 C/C=C/CSc1cccnn1 62a_100102629194_100016991348 [0,1,0,0,0,0|2,0,1]=4 2275 B11R1.28 C/C=C/CSc1ccncn1 62a_100000703185_100102629194 [0,1,0,0,0,0|2,0,1]=4 2276 B11R1.28 C/C=C/CSc1ccncn1 62a_100102629194_100000703185 [0,1,0,0,0,0|2,0,1]=4 2277 B11R1.28 C/C=C/CSc1cnccn1 62a_100000211759_100102629194 [0,1,0,0,0,0|2,0,1]=4 2278 B11R1.28 C/C=C/CSc1cnccn1 62a_100102629194_100000211759 [0,1,0,0,0,0|2,0,1]=4 2279 B11R1.28 C/C=C/CSc1ncccn1 62a_100000211032_100102629194 [0,1,0,0,0,0|2,0,1]=4 2280 B11R1.28 C/C=C/CSc1ncccn1 62a_100102629194_100000211032 [0,1,0,0,0,0|2,0,1]=4 2281 B11R1.28 C=CCCNc1ccccc1 34a_100000106764_100000754431 [0,1,0,0,0,0|2,0,1]=4 2282 B11R1.28 C=CCCNc1cccnn1 27a_100015191253_100016991348 [0,1,0,0,0,0|2,0,1]=4 2283 B11R1.28 C=CCCNc1ccncn1 27a_100015191253_100000703185 [0,1,0,0,0,0|2,0,1]=4 2284 B11R1.28 C=CCCNc1cnccn1 27a_100015191253_100000211759 [0,1,0,0,0,0|2,0,1]=4 2285 B11R1.28 C=CCCNc1ncccn1 27a_100015191253_100000211032 [0,1,0,0,0,0|2,0,1]=4 2286 B11R1.28 C=CCCOc1ccccc1 34a_100000210340_100000754431 [0,1,0,0,0,0|2,0,1]=4 2287 B11R1.28 C=CCCOc1ccccc1 7a_100000210340_100000754431 [0,1,0,0,0,0|2,0,1]=4 2288 B11R1.28 C=CCCSc1ccccc1 62a_100000719477_100000754431 [0,1,0,0,0,0|2,0,1]=4 2289 B11R1.28 C=CCCSc1ccccc1 62a_100000754431_100000041952 [0,1,0,0,0,0|2,0,1]=4 2290 B11R1.28 C=CCCSc1ccccn1 62a_100000754431_100011216584 [0,1,0,0,0,0|1,0,1]=3 2291 B11R1.28 C=CCCSc1ccccn1 62a_100011216584_100000754431 [0,1,0,0,0,0|1,0,1]=3 2292 B11R1.28 C=CCCSc1cccnn1 62a_100000754431_100016991348 [0,1,0,0,0,0|2,0,1]=4 2293 B11R1.28 C=CCCSc1cccnn1 62a_100016991348_100000754431 [0,1,0,0,0,0|2,0,1]=4 2294 B11R1.28 C=CCCSc1ccncn1 62a_100000703185_100000754431 [0,1,0,0,0,0|2,0,1]=4 2295 B11R1.28 C=CCCSc1ccncn1 62a_100000754431_100000703185 [0,1,0,0,0,0|2,0,1]=4 2296 B11R1.28 C=CCCSc1cnccn1 62a_100000211759_100000754431 [0,1,0,0,0,0|2,0,1]=4 2297 B11R1.28 C=CCCSc1cnccn1 62a_100000754431_100000211759 [0,1,0,0,0,0|2,0,1]=4 2298 B11R1.28 C=CCCSc1ncccn1 62a_100000211032_100000754431 [0,1,0,0,0,0|2,0,1]=4 2299 B11R1.28 C=CCCSc1ncccn1 62a_100000754431_100000211032 [0,1,0,0,0,0|2,0,1]=4 2300 B11R1.28 C=CCNCc1ccccc1 2230a_100015324214_100000210623 [0,1,0,0,0,0|2,0,1]=4 2301 B11R1.28 C=CCNCc1ccccc1 2230a_100020586998_100015291786 [0,1,0,0,0,0|2,0,1]=4 2302 B11R1.28 C=CCNCc1ccccc1 270004a_100020586998_100015611070 [0,1,0,0,0,0|2,0,1]=4 2303 B11R1.28 C=CCNCc1ccccc1 34a_100015324214_100015514636 [0,1,0,0,0,0|2,0,1]=4 2304 B11R1.28 C=CCNCc1ccccn1 2230a_100020586998_100000721315 [0,1,0,0,0,0|1,0,1]=3 2305 B11R1.28 C=CCNCc1ccccn1 270004a_100020586998_100000209966 [0,1,0,0,0,0|1,0,1]=3 2306 B11R1.28 C=CCNCc1cccnn1 2230a_100020586998_100016990269 [0,1,0,0,0,0|2,0,1]=4 2307 B11R1.28 C=CCNCc1cccnn1 2230a_100159270163_100000210623 [0,1,0,0,0,0|2,0,1]=4 2308 B11R1.28 C=CCNCc1cnccn1 2230a_100020586998_100016995436 [0,1,0,0,0,0|2,0,1]=4 2309 B11R1.28 C=CCNCc1cnccn1 270004a_100020586998_100000749867 [0,1,0,0,0,0|2,0,1]=4 2310 B11R1.28 C=CCNCc1ncccn1 2230a_100020586998_100000703007 [0,1,0,0,0,0|2,0,1]=4 2311 B11R1.28 C=CCNCc1ncccn1 270004a_100020586998_100011532527 [0,1,0,0,0,0|2,0,1]=4 2312 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [0,1,0,0,0,0|2,0,1]=4 2313 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [0,1,0,0,0,0|2,0,1]=4 2314 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [0,1,0,0,0,0|2,0,1]=4 2315 B11R1.28 C=CCOCc1ccccn1 34a_200000210373_100000721315 [0,1,0,0,0,0|1,0,1]=3 2316 B11R1.28 C=CCOCc1cccnn1 34a_200000210373_100016990269 [0,1,0,0,0,0|2,0,1]=4 2317 B11R1.28 C=CCOCc1cnccn1 34a_200000210373_100016995436 [0,1,0,0,0,0|2,0,1]=4 2318 B11R1.28 C=CCOCc1ncccn1 34a_200000210373_100000703007 [0,1,0,0,0,0|2,0,1]=4 2319 B11R1.28 C=CCSCc1ccccc1 62a_100000210623_100015291786 [0,1,0,0,0,0|2,0,1]=4 2320 B11R1.28 C=CCSCc1ccccc1 62a_100000211182_100000210623 [0,1,0,0,0,0|2,0,1]=4 2321 B11R1.28 C=CCSCc1ccccn1 62a_100000210623_100000721315 [0,1,0,0,0,0|1,0,1]=3 2322 B11R1.28 C=CCSCc1ccccn1 62a_100000721315_100000210623 [0,1,0,0,0,0|1,0,1]=3 2323 B11R1.28 C=CCSCc1cccnn1 62a_100000210623_100016990269 [0,1,0,0,0,0|2,0,1]=4 2324 B11R1.28 C=CCSCc1cccnn1 62a_100016990269_100000210623 [0,1,0,0,0,0|2,0,1]=4 2325 B11R1.28 C=CCSCc1cnccn1 62a_100000210623_100016995436 [0,1,0,0,0,0|2,0,1]=4 2326 B11R1.28 C=CCSCc1cnccn1 62a_100016995436_100000210623 [0,1,0,0,0,0|2,0,1]=4 2327 B11R1.28 C=CCSCc1ncccn1 62a_100000210623_100000703007 [0,1,0,0,0,0|2,0,1]=4 2328 B11R1.28 C=CCSCc1ncccn1 62a_100000703007_100000210623 [0,1,0,0,0,0|2,0,1]=4 2329 B11R1.28 CC#CCNc1ccccc1 34a_100000106764_100000748600 [0,1,0,0,0,0|2,0,1]=4 2330 B11R1.28 CC#CCNc1cccnn1 27a_100000685387_100016991348 [0,1,0,0,0,0|2,0,1]=4 2331 B11R1.28 CC#CCNc1ccncn1 27a_100000685387_100000703185 [0,1,0,0,0,0|2,0,1]=4 2332 B11R1.28 CC#CCNc1cnccn1 27a_100000685387_100000211759 [0,1,0,0,0,0|2,0,1]=4 2333 B11R1.28 CC#CCNc1ncccn1 27a_100000685387_100000211032 [0,1,0,0,0,0|2,0,1]=4 2334 B11R1.28 CC#CCOc1ccccc1 34a_100000210340_100000748600 [0,1,0,0,0,0|2,0,1]=4 2335 B11R1.28 CC#CCOc1ccccc1 7a_100000210340_100000748600 [0,1,0,0,0,0|2,0,1]=4 2336 B11R1.28 CC#CCSc1ccccc1 62a_100000719477_100000748600 [0,1,0,0,0,0|2,0,1]=4 2337 B11R1.28 CC#CCSc1ccccc1 62a_100000748600_100000041952 [0,1,0,0,0,0|2,0,1]=4 2338 B11R1.28 CC#CCSc1ccccn1 62a_100000748600_100011216584 [0,1,0,0,0,0|1,0,1]=3 2339 B11R1.28 CC#CCSc1ccccn1 62a_100011216584_100000748600 [0,1,0,0,0,0|1,0,1]=3 2340 B11R1.28 CC#CCSc1cccnn1 62a_100000748600_100016991348 [0,1,0,0,0,0|2,0,1]=4 2341 B11R1.28 CC#CCSc1cccnn1 62a_100016991348_100000748600 [0,1,0,0,0,0|2,0,1]=4 2342 B11R1.28 CC#CCSc1ccncn1 62a_100000703185_100000748600 [0,1,0,0,0,0|2,0,1]=4 2343 B11R1.28 CC#CCSc1ccncn1 62a_100000748600_100000703185 [0,1,0,0,0,0|2,0,1]=4 2344 B11R1.28 CC#CCSc1cnccn1 62a_100000211759_100000748600 [0,1,0,0,0,0|2,0,1]=4 2345 B11R1.28 CC#CCSc1cnccn1 62a_100000748600_100000211759 [0,1,0,0,0,0|2,0,1]=4 2346 B11R1.28 CC#CCSc1ncccn1 62a_100000211032_100000748600 [0,1,0,0,0,0|2,0,1]=4 2347 B11R1.28 CC#CCSc1ncccn1 62a_100000748600_100000211032 [0,1,0,0,0,0|2,0,1]=4 2348 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [0,1,0,0,0,0|2,0,1]=4 2349 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [0,1,0,0,0,0|2,0,1]=4 2350 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [0,1,0,0,0,0|2,0,1]=4 2351 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [0,1,0,0,0,0|2,0,1]=4 2352 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [0,1,0,0,0,0|2,0,1]=4 2353 B11R1.28 CC=CCSc1ccccn1 62a_100000070051_100011216584 [0,1,0,0,0,0|1,0,1]=3 2354 B11R1.28 CC=CCSc1ccccn1 62a_100011216584_100000070051 [0,1,0,0,0,0|1,0,1]=3 2355 B11R1.28 CC=CCSc1cccnn1 62a_100000070051_100016991348 [0,1,0,0,0,0|2,0,1]=4 2356 B11R1.28 CC=CCSc1cccnn1 62a_100016991348_100000070051 [0,1,0,0,0,0|2,0,1]=4 2357 B11R1.28 CC=CCSc1ccncn1 62a_100000070051_100000703185 [0,1,0,0,0,0|2,0,1]=4 2358 B11R1.28 CC=CCSc1ccncn1 62a_100000703185_100000070051 [0,1,0,0,0,0|2,0,1]=4 2359 B11R1.28 CC=CCSc1cnccn1 62a_100000070051_100000211759 [0,1,0,0,0,0|2,0,1]=4 2360 B11R1.28 CC=CCSc1cnccn1 62a_100000211759_100000070051 [0,1,0,0,0,0|2,0,1]=4 2361 B11R1.28 CC=CCSc1ncccn1 62a_100000070051_100000211032 [0,1,0,0,0,0|2,0,1]=4 2362 B11R1.28 CC=CCSc1ncccn1 62a_100000211032_100000070051 [0,1,0,0,0,0|2,0,1]=4 2363 B11R1.28 CC=NNCc1ccccc1 4a_100000007032_200000210099 [0,1,0,0,0,0|2,0,1]=4 2364 B11R1.28 CC=NNCc1ccccn1 4a_100000736832_200000210099 [0,1,0,0,0,0|1,0,1]=3 2365 B11R1.28 CCC=NNc1ccccn1 4a_100000183288_100000210100 [0,1,0,0,0,0|2,0,1]=4 2366 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [0,1,0,0,0,0|2,0,1]=4 2367 B11R1.28 CCCC=Cc1ccccn1 271570a_100016258520_100011216584 [0,1,0,0,0,0|1,0,1]=3 2368 B11R1.28 CCCC=Cc1cccnn1 271570a_100016258520_100016991348 [0,1,0,0,0,0|2,0,1]=4 2369 B11R1.28 CCCC=Cc1ccncn1 271570a_100016258520_100000703185 [0,1,0,0,0,0|2,0,1]=4 2370 B11R1.28 CCCC=Cc1cnccn1 271570a_100016258520_100000758340 [0,1,0,0,0,0|2,0,1]=4 2371 B11R1.28 CCCC=Cc1ncccn1 271570a_100016258520_100000211032 [0,1,0,0,0,0|2,0,1]=4 2372 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [0,1,0,0,0,0|2,0,0]=3 2373 B11R1.28 CCCCNc1cccnn1 27a_100000102301_100016991348 [0,1,0,0,0,0|2,0,0]=3 2374 B11R1.28 CCCCNc1ccncn1 27a_100000102301_100000703185 [0,1,0,0,0,0|2,0,0]=3 2375 B11R1.28 CCCCNc1cnccn1 27a_100000102301_100000211759 [0,1,0,0,0,0|2,0,0]=3 2376 B11R1.28 CCCCNc1ncccn1 27a_100000102301_100000211032 [0,1,0,0,0,0|2,0,0]=3 2377 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [0,1,0,0,0,0|2,0,0]=3 2378 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [0,1,0,0,0,0|2,0,0]=3 2379 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [0,1,0,0,0,0|3,0,0]=4 2380 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [0,1,0,0,0,0|3,0,0]=4 2381 B11R1.28 CCCCOc1ccncc1 34a_100000212176_100000210210 [0,1,0,0,0,0|3,0,0]=4 2382 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [0,1,0,0,0,0|2,0,0]=3 2383 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [0,1,0,0,0,0|2,0,0]=3 2384 B11R1.28 CCCCSc1ccccn1 62a_100000210211_100011216584 [0,1,0,0,0,0|1,0,0]=2 2385 B11R1.28 CCCCSc1ccccn1 62a_100011216584_100000210210 [0,1,0,0,0,0|1,0,0]=2 2386 B11R1.28 CCCCSc1cccnc1 62a_100000210063_100000210210 [0,1,0,0,0,0|3,0,0]=4 2387 B11R1.28 CCCCSc1cccnc1 62a_100000210211_100000210063 [0,1,0,0,0,0|3,0,0]=4 2388 B11R1.28 CCCCSc1cccnn1 62a_100000210211_100016991348 [0,1,0,0,0,0|2,0,0]=3 2389 B11R1.28 CCCCSc1cccnn1 62a_100016991348_100000210210 [0,1,0,0,0,0|2,0,0]=3 2390 B11R1.28 CCCCSc1ccncc1 62a_100000210211_100000728582 [0,1,0,0,0,0|3,0,0]=4 2391 B11R1.28 CCCCSc1ccncc1 62a_100000728582_100000210210 [0,1,0,0,0,0|3,0,0]=4 2392 B11R1.28 CCCCSc1ccncn1 62a_100000210211_100000703185 [0,1,0,0,0,0|2,0,0]=3 2393 B11R1.28 CCCCSc1ccncn1 62a_100000703185_100000210210 [0,1,0,0,0,0|2,0,0]=3 2394 B11R1.28 CCCCSc1cnccn1 62a_100000210211_100000211759 [0,1,0,0,0,0|2,0,0]=3 2395 B11R1.28 CCCCSc1cnccn1 62a_100000211759_100000210210 [0,1,0,0,0,0|2,0,0]=3 2396 B11R1.28 CCCCSc1ncccn1 62a_100000210211_100000211032 [0,1,0,0,0,0|2,0,0]=3 2397 B11R1.28 CCCCSc1ncccn1 62a_100000211032_100000210210 [0,1,0,0,0,0|2,0,0]=3 2398 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [0,1,0,0,0,0|2,0,0]=3 2399 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [0,1,0,0,0,0|2,0,0]=3 2400 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [0,1,0,0,0,0|2,0,0]=3 2401 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [0,1,0,0,0,0|2,0,0]=3 2402 B11R1.28 CCCNCc1ccccn1 207a_100020643023_100000209966 [0,1,0,0,0,0|1,0,0]=2 2403 B11R1.28 CCCNCc1ccccn1 270004a_100020643023_100000209966 [0,1,0,0,0,0|1,0,0]=2 2404 B11R1.28 CCCNCc1cccnc1 207a_100020643023_100000209961 [0,1,0,0,0,0|3,0,0]=4 2405 B11R1.28 CCCNCc1cccnc1 270004a_100020643023_100000209961 [0,1,0,0,0,0|3,0,0]=4 2406 B11R1.28 CCCNCc1cccnn1 2230a_100159270163_100000210303 [0,1,0,0,0,0|2,0,0]=3 2407 B11R1.28 CCCNCc1ccncc1 207a_100020643023_100000186114 [0,1,0,0,0,0|3,0,0]=4 2408 B11R1.28 CCCNCc1cnccn1 270004a_100020643023_100000749867 [0,1,0,0,0,0|2,0,0]=3 2409 B11R1.28 CCCNCc1ncccn1 270004a_100020643023_100011532527 [0,1,0,0,0,0|2,0,0]=3 2410 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [0,1,0,0,0,0|2,0,0]=3 2411 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [0,1,0,0,0,0|2,0,0]=3 2412 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [0,1,0,0,0,0|2,0,0]=3 2413 B11R1.28 CCCOCc1ccccn1 34a_100000210258_100000721315 [0,1,0,0,0,0|1,0,0]=2 2414 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [0,1,0,0,0,0|3,0,0]=4 2415 B11R1.28 CCCOCc1cccnn1 34a_100000210258_100016990269 [0,1,0,0,0,0|2,0,0]=3 2416 B11R1.28 CCCOCc1cnccn1 34a_100000210258_100016995436 [0,1,0,0,0,0|2,0,0]=3 2417 B11R1.28 CCCOCc1ncccn1 34a_100000210258_100000703007 [0,1,0,0,0,0|2,0,0]=3 2418 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [0,1,0,0,0,0|2,0,0]=3 2419 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [0,1,0,0,0,0|2,0,0]=3 2420 B11R1.28 CCCSCc1ccccn1 62a_100000210303_100000721315 [0,1,0,0,0,0|1,0,0]=2 2421 B11R1.28 CCCSCc1ccccn1 62a_100000721315_100000210303 [0,1,0,0,0,0|1,0,0]=2 2422 B11R1.28 CCCSCc1cccnc1 62a_100000210303_100000741622 [0,1,0,0,0,0|3,0,0]=4 2423 B11R1.28 CCCSCc1cccnc1 62a_100000741622_100000210303 [0,1,0,0,0,0|3,0,0]=4 2424 B11R1.28 CCCSCc1cccnn1 62a_100000210303_100016990269 [0,1,0,0,0,0|2,0,0]=3 2425 B11R1.28 CCCSCc1cccnn1 62a_100016990269_100000210303 [0,1,0,0,0,0|2,0,0]=3 2426 B11R1.28 CCCSCc1ccncc1 62a_100000210303_100015193705 [0,1,0,0,0,0|3,0,0]=4 2427 B11R1.28 CCCSCc1ccncc1 62a_100015193705_100000210303 [0,1,0,0,0,0|3,0,0]=4 2428 B11R1.28 CCCSCc1cnccn1 62a_100000210303_100016995436 [0,1,0,0,0,0|2,0,0]=3 2429 B11R1.28 CCCSCc1cnccn1 62a_100016995436_100000210303 [0,1,0,0,0,0|2,0,0]=3 2430 B11R1.28 CCCSCc1ncccn1 62a_100000210303_100000703007 [0,1,0,0,0,0|2,0,0]=3 2431 B11R1.28 CCCSCc1ncccn1 62a_100000703007_100000210303 [0,1,0,0,0,0|2,0,0]=3 2432 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [0,1,0,0,0,0|1,0,0]=2 2433 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [0,1,0,0,0,0|1,0,0]=2 2434 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [0,1,0,0,0,0|1,0,0]=2 2435 B11R1.28 CCNCCc1ccccn1 2230a_100015525214_100015183660 [0,1,0,0,0,0|0,0,0]=1 2436 B11R1.28 CCNCCc1cccnc1 2230a_100000736294_100000210202 [0,1,0,0,0,0|2,0,0]=3 2437 B11R1.28 CCNCCc1cccnc1 2230a_100015525214_200011713674 [0,1,0,0,0,0|2,0,0]=3 2438 B11R1.28 CCNCCc1ccncc1 2230a_100015525214_100000723409 [0,1,0,0,0,0|2,0,0]=3 2439 B11R1.28 CCNCSc1ccccc1 2230a_100015525214_100011218342 [0,1,0,0,0,0|2,0,0]=3 2440 B11R1.28 CCNN=Cc1ccccc1 4a_100000756455_100015611070 [0,1,0,0,0,0|2,0,1]=4 2441 B11R1.28 CCNN=Cc1ccccn1 4a_100000756455_100000209966 [0,1,0,0,0,0|1,0,1]=3 2442 B11R1.28 CCNN=Cc1ccncn1 4a_100000756455_100011744739 [0,1,0,0,0,0|2,0,1]=4 2443 B11R1.28 CCNN=Cc1cnccn1 4a_100000756455_100000749867 [0,1,0,0,0,0|2,0,1]=4 2444 B11R1.28 CCNN=Cc1ncccn1 4a_100000756455_100011532527 [0,1,0,0,0,0|2,0,1]=4 2445 B11R1.28 CCOC=Cc1ccccn1 271570a_100016256518_100011216584 [0,1,0,0,0,0|1,0,2]=4 2446 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [0,1,0,0,0,0|2,0,0]=3 2447 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [0,1,0,0,0,0|2,0,0]=3 2448 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [0,1,0,0,0,0|2,0,0]=3 2449 B11R1.28 CCOCCc1ccccn1 34a_100000210271_100000210202 [0,1,0,0,0,0|1,0,0]=2 2450 B11R1.28 CCOCCc1cccnc1 34a_100011217484_100000210202 [0,1,0,0,0,0|3,0,0]=4 2451 B11R1.28 CCOCCc1ccncc1 34a_100011216225_100000210202 [0,1,0,0,0,0|3,0,0]=4 2452 B11R1.28 CCOCCc1cnccn1 34a_100011349526_100000210202 [0,1,0,0,0,0|2,0,0]=3 2453 B11R1.28 CCOCSc1ccccc1 62a_100000719477_100000739092 [0,1,0,0,0,0|3,0,0]=4 2454 B11R1.28 CCOCSc1ccccc1 62a_100000739092_100000041952 [0,1,0,0,0,0|3,0,0]=4 2455 B11R1.28 CCOCSc1ccccn1 62a_100000739092_100011216584 [0,1,0,0,0,0|2,0,0]=3 2456 B11R1.28 CCOCSc1ccccn1 62a_100011216584_100000739092 [0,1,0,0,0,0|2,0,0]=3 2457 B11R1.28 CCOCSc1cccnn1 62a_100000739092_100016991348 [0,1,0,0,0,0|3,0,0]=4 2458 B11R1.28 CCOCSc1cccnn1 62a_100016991348_100000739092 [0,1,0,0,0,0|3,0,0]=4 2459 B11R1.28 CCOCSc1ccncn1 62a_100000703185_100000739092 [0,1,0,0,0,0|3,0,0]=4 2460 B11R1.28 CCOCSc1ccncn1 62a_100000739092_100000703185 [0,1,0,0,0,0|3,0,0]=4 2461 B11R1.28 CCOCSc1cnccn1 62a_100000211759_100000739092 [0,1,0,0,0,0|3,0,0]=4 2462 B11R1.28 CCOCSc1cnccn1 62a_100000739092_100000211759 [0,1,0,0,0,0|3,0,0]=4 2463 B11R1.28 CCOCSc1ncccn1 62a_100000211032_100000739092 [0,1,0,0,0,0|3,0,0]=4 2464 B11R1.28 CCOCSc1ncccn1 62a_100000739092_100000211032 [0,1,0,0,0,0|3,0,0]=4 2465 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [0,1,0,0,0,0|2,0,0]=3 2466 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [0,1,0,0,0,0|2,0,0]=3 2467 B11R1.28 CCSCCc1ccccn1 62a_100000210202_100015183660 [0,1,0,0,0,0|1,0,0]=2 2468 B11R1.28 CCSCCc1ccccn1 62a_100015183660_100000210202 [0,1,0,0,0,0|1,0,0]=2 2469 B11R1.28 CCSCCc1cccnc1 62a_100000210202_200011713674 [0,1,0,0,0,0|3,0,0]=4 2470 B11R1.28 CCSCCc1cccnc1 62a_200011713674_100000210202 [0,1,0,0,0,0|3,0,0]=4 2471 B11R1.28 CCSCCc1ccncc1 62a_100000210202_100000723409 [0,1,0,0,0,0|3,0,0]=4 2472 B11R1.28 CCSCCc1ccncc1 62a_100000723409_100000210202 [0,1,0,0,0,0|3,0,0]=4 2473 B11R1.28 CCSCSc1ccccc1 62a_100000210202_100011218342 [0,1,0,0,0,0|3,0,0]=4 2474 B11R1.28 CCSCSc1ccccc1 62a_100011218342_100000210202 [0,1,0,0,0,0|3,0,0]=4 2475 B11R1.28 CNC/C=C/c1ccccc1 2230a_100020603302_200000210301 [0,1,0,0,0,0|1,0,1]=3 2476 B11R1.28 CNC/C=C/c1ccccc1 2230a_106832991635_100016265936 [0,1,0,0,0,0|1,0,1]=3 2477 B11R1.28 CNC/C=C/c1ccccc1 34a_100020603302_200000210301 [0,1,0,0,0,0|1,0,1]=3 2478 B11R1.28 CNC/C=C/c1ccccc1 34a_100102657272_100016265936 [0,1,0,0,0,0|1,0,1]=3 2479 B11R1.28 CNC/C=C/c1ccccc1 7a_106832991635_100016265936 [0,1,0,0,0,0|1,0,1]=3 2480 B11R1.28 CNCC#Cc1ccccc1 2230a_106832991635_100011352542 [0,1,0,0,0,0|1,0,1]=3 2481 B11R1.28 CNCC#Cc1ccccc1 34a_100000735379_200000210301 [0,1,0,0,0,0|1,0,1]=3 2482 B11R1.28 CNCC#Cc1ccccc1 34a_100102657272_100011352542 [0,1,0,0,0,0|1,0,1]=3 2483 B11R1.28 CNCC#Cc1ccccc1 7a_106832991635_100011352542 [0,1,0,0,0,0|1,0,1]=3 2484 B11R1.28 CNCC=Cc1ccccc1 270004a_106832991635_100000210105 [0,1,0,0,0,0|1,0,1]=3 2485 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [0,1,0,0,0,0|1,0,0]=2 2486 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [0,1,0,0,0,0|1,0,0]=2 2487 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [0,1,0,0,0,0|1,0,0]=2 2488 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [0,1,0,0,0,0|1,0,0]=2 2489 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [0,1,0,0,0,0|1,0,0]=2 2490 B11R1.28 CNCCCc1cccnc1 2230a_100011532358_200000210301 [0,1,0,0,0,0|2,0,0]=3 2491 B11R1.28 CNCCCc1cccnc1 34a_100011532358_200000210301 [0,1,0,0,0,0|2,0,0]=3 2492 B11R1.28 CNCCCc1ccncc1 2230a_100011275580_200000210301 [0,1,0,0,0,0|2,0,0]=3 2493 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [0,1,0,0,0,0|1,0,0]=2 2494 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [0,1,0,0,0,0|1,0,0]=2 2495 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [0,1,0,0,0,0|1,0,0]=2 2496 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [0,1,0,0,0,0|1,0,0]=2 2497 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [0,1,0,0,0,0|1,0,0]=2 2498 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [0,1,0,0,0,0|1,0,0]=2 2499 B11R1.28 CNCCOc1ccccn1 2230a_106741647558_200000210301 [0,1,0,0,0,0|0,0,0]=1 2500 B11R1.28 CNCCOc1cccnc1 2230a_100000754688_200000210301 [0,1,0,0,0,0|2,0,0]=3 2501 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [0,1,0,0,0,0|1,0,0]=2 2502 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [0,1,0,0,0,0|1,0,0]=2 2503 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [0,1,0,0,0,0|1,0,0]=2 2504 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [0,1,0,0,0,0|1,0,0]=2 2505 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [0,1,0,0,0,0|1,0,0]=2 2506 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [0,1,0,0,0,0|1,0,0]=2 2507 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [0,1,0,0,0,0|1,0,0]=2 2508 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [0,1,0,0,0,0|1,0,0]=2 2509 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [0,1,0,0,0,0|2,0,1]=4 2510 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [0,1,0,0,0,0|2,0,1]=4 2511 B11R1.28 COCC#Cc1ccccc1 34a_100011217464_200000210301 [0,1,0,0,0,0|2,0,1]=4 2512 B11R1.28 COCC#Cc1ccccc1 34a_100138415774_100011352542 [0,1,0,0,0,0|2,0,1]=4 2513 B11R1.28 COCC#Cc1ccccc1 7a_100011217464_200000210301 [0,1,0,0,0,0|2,0,1]=4 2514 B11R1.28 COCC#Cc1ccccn1 34a_100011894333_200000210301 [0,1,0,0,0,0|1,0,1]=3 2515 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [0,1,0,0,0,0|2,0,1]=4 2516 B11R1.28 COCC=Cc1ccccn1 271570a_100016286323_100011216584 [0,1,0,0,0,0|1,0,1]=3 2517 B11R1.28 COCC=Cc1cccnn1 271570a_100016286323_100016991348 [0,1,0,0,0,0|2,0,1]=4 2518 B11R1.28 COCC=Cc1ccncn1 271570a_100016286323_100000703185 [0,1,0,0,0,0|2,0,1]=4 2519 B11R1.28 COCC=Cc1cnccn1 271570a_100016286323_100000758340 [0,1,0,0,0,0|2,0,1]=4 2520 B11R1.28 COCC=Cc1ncccn1 271570a_100016286323_100000211032 [0,1,0,0,0,0|2,0,1]=4 2521 B11R1.28 COCCCC1=CCC=CC1 34a_100020667889_200000210301 [0,1,0,0,0,0|2,0,1]=4 2522 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [0,1,0,0,0,0|2,0,0]=3 2523 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [0,1,0,0,0,0|2,0,0]=3 2524 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [0,1,0,0,0,0|2,0,0]=3 2525 B11R1.28 COCCCc1ccccn1 34a_100011215068_200000210301 [0,1,0,0,0,0|1,0,0]=2 2526 B11R1.28 COCCCc1cccnc1 34a_100000211284_200000210301 [0,1,0,0,0,0|3,0,0]=4 2527 B11R1.28 COCCCc1ccncc1 34a_100000210659_200000210301 [0,1,0,0,0,0|3,0,0]=4 2528 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [0,1,0,0,0,0|2,0,0]=3 2529 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [0,1,0,0,0,0|2,0,0]=3 2530 B11R1.28 COCCNc1cccnn1 27a_100000209980_100016991348 [0,1,0,0,0,0|2,0,0]=3 2531 B11R1.28 COCCNc1ccncc1 34a_200011243140_200000210301 [0,1,0,0,0,0|3,0,0]=4 2532 B11R1.28 COCCNc1ccncn1 27a_100000209980_100000703185 [0,1,0,0,0,0|2,0,0]=3 2533 B11R1.28 COCCNc1cnccn1 27a_100000209980_100000211759 [0,1,0,0,0,0|2,0,0]=3 2534 B11R1.28 COCCNc1ncccn1 27a_100000209980_100000211032 [0,1,0,0,0,0|2,0,0]=3 2535 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [0,1,0,0,0,0|2,0,0]=3 2536 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [0,1,0,0,0,0|2,0,0]=3 2537 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [0,1,0,0,0,0|2,0,0]=3 2538 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [0,1,0,0,0,0|2,0,0]=3 2539 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [0,1,0,0,0,0|2,0,0]=3 2540 B11R1.28 COCCOc1cccnc1 34a_100000210849_100011201679 [0,1,0,0,0,0|3,0,0]=4 2541 B11R1.28 COCCOc1cccnc1 7a_100000210849_100000233755 [0,1,0,0,0,0|3,0,0]=4 2542 B11R1.28 COCCOc1ccncc1 34a_100000212176_100011201679 [0,1,0,0,0,0|3,0,0]=4 2543 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [0,1,0,0,0,0|2,0,0]=3 2544 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [0,1,0,0,0,0|2,0,0]=3 2545 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [0,1,0,0,0,0|2,0,0]=3 2546 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [0,1,0,0,0,0|2,0,0]=3 2547 B11R1.28 COCCSc1ccccn1 62a_100000233755_100011216584 [0,1,0,0,0,0|1,0,0]=2 2548 B11R1.28 COCCSc1ccccn1 62a_100011216584_100000233755 [0,1,0,0,0,0|1,0,0]=2 2549 B11R1.28 COCCSc1ccccn1 7a_100000156319_200000210301 [0,1,0,0,0,0|1,0,0]=2 2550 B11R1.28 COCCSc1cccnc1 62a_100000210063_100000233755 [0,1,0,0,0,0|3,0,0]=4 2551 B11R1.28 COCCSc1cccnc1 62a_100000233755_100000210063 [0,1,0,0,0,0|3,0,0]=4 2552 B11R1.28 COCCSc1cccnn1 62a_100000233755_100016991348 [0,1,0,0,0,0|2,0,0]=3 2553 B11R1.28 COCCSc1cccnn1 62a_100016991348_100000233755 [0,1,0,0,0,0|2,0,0]=3 2554 B11R1.28 COCCSc1ccncc1 62a_100000233755_100000728582 [0,1,0,0,0,0|3,0,0]=4 2555 B11R1.28 COCCSc1ccncc1 62a_100000728582_100000233755 [0,1,0,0,0,0|3,0,0]=4 2556 B11R1.28 COCCSc1ccncn1 62a_100000233755_100000703185 [0,1,0,0,0,0|2,0,0]=3 2557 B11R1.28 COCCSc1ccncn1 62a_100000703185_100000233755 [0,1,0,0,0,0|2,0,0]=3 2558 B11R1.28 COCCSc1cnccn1 62a_100000211759_100000233755 [0,1,0,0,0,0|2,0,0]=3 2559 B11R1.28 COCCSc1cnccn1 62a_100000233755_100000211759 [0,1,0,0,0,0|2,0,0]=3 2560 B11R1.28 COCCSc1ncccn1 62a_100000211032_100000233755 [0,1,0,0,0,0|2,0,0]=3 2561 B11R1.28 COCCSc1ncccn1 62a_100000233755_100000211032 [0,1,0,0,0,0|2,0,0]=3 2562 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [0,1,0,0,0,0|2,0,0]=3 2563 B11R1.28 COCNCc1cccnn1 2230a_100159270163_100000766300 [0,1,0,0,0,0|2,0,0]=3 2564 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [0,1,0,0,0,0|2,0,0]=3 2565 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [0,1,0,0,0,0|2,0,0]=3 2566 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [0,1,0,0,0,0|2,0,0]=3 2567 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [0,1,0,0,0,0|2,0,0]=3 2568 B11R1.28 COCSCc1ccccn1 62a_100000721315_100000766300 [0,1,0,0,0,0|1,0,0]=2 2569 B11R1.28 COCSCc1ccccn1 62a_100000766300_100000721315 [0,1,0,0,0,0|1,0,0]=2 2570 B11R1.28 COCSCc1cccnc1 62a_100000741622_100000766300 [0,1,0,0,0,0|3,0,0]=4 2571 B11R1.28 COCSCc1cccnc1 62a_100000766300_100000741622 [0,1,0,0,0,0|3,0,0]=4 2572 B11R1.28 COCSCc1cccnn1 62a_100000766300_100016990269 [0,1,0,0,0,0|2,0,0]=3 2573 B11R1.28 COCSCc1cccnn1 62a_100016990269_100000766300 [0,1,0,0,0,0|2,0,0]=3 2574 B11R1.28 COCSCc1ccncc1 62a_100000766300_100015193705 [0,1,0,0,0,0|3,0,0]=4 2575 B11R1.28 COCSCc1ccncc1 62a_100015193705_100000766300 [0,1,0,0,0,0|3,0,0]=4 2576 B11R1.28 COCSCc1cnccn1 62a_100000766300_100016995436 [0,1,0,0,0,0|2,0,0]=3 2577 B11R1.28 COCSCc1cnccn1 62a_100016995436_100000766300 [0,1,0,0,0,0|2,0,0]=3 2578 B11R1.28 COCSCc1ncccn1 62a_100000703007_100000766300 [0,1,0,0,0,0|2,0,0]=3 2579 B11R1.28 COCSCc1ncccn1 62a_100000766300_100000703007 [0,1,0,0,0,0|2,0,0]=3 2580 B11R1.28 CSC/C=C/c1ccccc1 62a_100016265936_200000210301 [0,1,0,0,0,0|2,0,1]=4 2581 B11R1.28 CSC/C=C/c1ccccc1 62a_200000210301_100016265936 [0,1,0,0,0,0|2,0,1]=4 2582 B11R1.28 CSCC#Cc1ccccc1 62a_200000210301_100011352542 [0,1,0,0,0,0|2,0,1]=4 2583 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [0,1,0,0,0,0|2,0,0]=3 2584 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [0,1,0,0,0,0|2,0,0]=3 2585 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [0,1,0,0,0,0|2,0,0]=3 2586 B11R1.28 CSCCNc1cccnn1 27a_100020590264_100016991348 [0,1,0,0,0,0|2,0,0]=3 2587 B11R1.28 CSCCNc1ccncn1 27a_100020590264_100000703185 [0,1,0,0,0,0|2,0,0]=3 2588 B11R1.28 CSCCNc1cnccn1 27a_100020590264_100000211759 [0,1,0,0,0,0|2,0,0]=3 2589 B11R1.28 CSCCNc1ncccn1 27a_100020590264_100000211032 [0,1,0,0,0,0|2,0,0]=3 2590 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [0,1,0,0,0,0|2,0,0]=3 2591 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [0,1,0,0,0,0|2,0,0]=3 2592 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [0,1,0,0,0,0|2,0,0]=3 2593 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [0,1,0,0,0,0|2,0,0]=3 2594 B11R1.28 CSCCOc1cccnc1 34a_100000210849_100000212216 [0,1,0,0,0,0|3,0,0]=4 2595 B11R1.28 CSCCOc1cccnc1 7a_100000210849_100000212216 [0,1,0,0,0,0|3,0,0]=4 2596 B11R1.28 CSCCOc1ccncc1 34a_100000212176_100000212216 [0,1,0,0,0,0|3,0,0]=4 2597 B11R1.28 CSCCSc1ccccc1 62a_100000212216_100000041952 [0,1,0,0,0,0|2,0,0]=3 2598 B11R1.28 CSCCSc1ccccc1 62a_100000246102_200000210301 [0,1,0,0,0,0|2,0,0]=3 2599 B11R1.28 CSCCSc1ccccc1 62a_100000719477_100000751147 [0,1,0,0,0,0|2,0,0]=3 2600 B11R1.28 CSCCSc1ccccc1 62a_200000210301_100000246102 [0,1,0,0,0,0|2,0,0]=3 2601 B11R1.28 CSCCSc1ccccn1 62a_100000212216_100011216584 [0,1,0,0,0,0|1,0,0]=2 2602 B11R1.28 CSCCSc1ccccn1 62a_100011216584_100000751147 [0,1,0,0,0,0|1,0,0]=2 2603 B11R1.28 CSCCSc1cccnc1 62a_100000210063_100000751147 [0,1,0,0,0,0|3,0,0]=4 2604 B11R1.28 CSCCSc1cccnc1 62a_100000212216_100000210063 [0,1,0,0,0,0|3,0,0]=4 2605 B11R1.28 CSCCSc1cccnn1 62a_100000212216_100016991348 [0,1,0,0,0,0|2,0,0]=3 2606 B11R1.28 CSCCSc1cccnn1 62a_100016991348_100000751147 [0,1,0,0,0,0|2,0,0]=3 2607 B11R1.28 CSCCSc1ccncc1 62a_100000212216_100000728582 [0,1,0,0,0,0|3,0,0]=4 2608 B11R1.28 CSCCSc1ccncc1 62a_100000728582_100000751147 [0,1,0,0,0,0|3,0,0]=4 2609 B11R1.28 CSCCSc1ccncn1 62a_100000212216_100000703185 [0,1,0,0,0,0|2,0,0]=3 2610 B11R1.28 CSCCSc1ccncn1 62a_100000703185_100000751147 [0,1,0,0,0,0|2,0,0]=3 2611 B11R1.28 CSCCSc1cnccn1 62a_100000211759_100000751147 [0,1,0,0,0,0|2,0,0]=3 2612 B11R1.28 CSCCSc1cnccn1 62a_100000212216_100000211759 [0,1,0,0,0,0|2,0,0]=3 2613 B11R1.28 CSCCSc1ncccn1 62a_100000211032_100000751147 [0,1,0,0,0,0|2,0,0]=3 2614 B11R1.28 CSCCSc1ncccn1 62a_100000212216_100000211032 [0,1,0,0,0,0|2,0,0]=3 2615 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [0,1,0,0,0,0|2,0,0]=3 2616 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [0,1,0,0,0,0|2,0,0]=3 2617 B11R1.28 CSCNCc1cccnn1 2230a_100159270163_100011218213 [0,1,0,0,0,0|2,0,0]=3 2618 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [0,1,0,0,0,0|2,0,0]=3 2619 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [0,1,0,0,0,0|2,0,0]=3 2620 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [0,1,0,0,0,0|2,0,0]=3 2621 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [0,1,0,0,0,0|2,0,0]=3 2622 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [0,1,0,0,0,0|2,0,0]=3 2623 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [0,1,0,0,0,0|2,0,0]=3 2624 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [0,1,0,0,0,0|2,0,0]=3 2625 B11R1.28 CSCSCc1ccccn1 62a_100000721315_100011218213 [0,1,0,0,0,0|1,0,0]=2 2626 B11R1.28 CSCSCc1ccccn1 62a_100011218213_100000721315 [0,1,0,0,0,0|1,0,0]=2 2627 B11R1.28 CSCSCc1cccnc1 62a_100000741622_100011218213 [0,1,0,0,0,0|3,0,0]=4 2628 B11R1.28 CSCSCc1cccnc1 62a_100011218213_100000741622 [0,1,0,0,0,0|3,0,0]=4 2629 B11R1.28 CSCSCc1cccnn1 62a_100011218213_100016990269 [0,1,0,0,0,0|2,0,0]=3 2630 B11R1.28 CSCSCc1cccnn1 62a_100016990269_100011218213 [0,1,0,0,0,0|2,0,0]=3 2631 B11R1.28 CSCSCc1ccncc1 62a_100011218213_100015193705 [0,1,0,0,0,0|3,0,0]=4 2632 B11R1.28 CSCSCc1ccncc1 62a_100015193705_100011218213 [0,1,0,0,0,0|3,0,0]=4 2633 B11R1.28 CSCSCc1cnccn1 62a_100011218213_100016995436 [0,1,0,0,0,0|2,0,0]=3 2634 B11R1.28 CSCSCc1cnccn1 62a_100016995436_100011218213 [0,1,0,0,0,0|2,0,0]=3 2635 B11R1.28 CSCSCc1ncccn1 62a_100000703007_100011218213 [0,1,0,0,0,0|2,0,0]=3 2636 B11R1.28 CSCSCc1ncccn1 62a_100011218213_100000703007 [0,1,0,0,0,0|2,0,0]=3 2637 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [0,1,0,0,0,0|3,0,0]=4 2638 B11R1.28 FCCCNc1cccnn1 27a_100015189416_100016991348 [0,1,0,0,0,0|3,0,0]=4 2639 B11R1.28 FCCCNc1ccncn1 27a_100015189416_100000703185 [0,1,0,0,0,0|3,0,0]=4 2640 B11R1.28 FCCCNc1cnccn1 27a_100015189416_100000211759 [0,1,0,0,0,0|3,0,0]=4 2641 B11R1.28 FCCCNc1ncccn1 27a_100015189416_100000211032 [0,1,0,0,0,0|3,0,0]=4 2642 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [0,1,0,0,0,0|3,0,0]=4 2643 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [0,1,0,0,0,0|3,0,0]=4 2644 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [0,1,0,0,0,0|3,0,0]=4 2645 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [0,1,0,0,0,0|3,0,0]=4 2646 B11R1.28 FCCCSc1ccccn1 62a_100011216584_100011934791 [0,1,0,0,0,0|2,0,0]=3 2647 B11R1.28 FCCCSc1ccccn1 62a_100011934791_100011216584 [0,1,0,0,0,0|2,0,0]=3 2648 B11R1.28 FCCCSc1cccnn1 62a_100011934791_100016991348 [0,1,0,0,0,0|3,0,0]=4 2649 B11R1.28 FCCCSc1cccnn1 62a_100016991348_100011934791 [0,1,0,0,0,0|3,0,0]=4 2650 B11R1.28 FCCCSc1ccncn1 62a_100000703185_100011934791 [0,1,0,0,0,0|3,0,0]=4 2651 B11R1.28 FCCCSc1ccncn1 62a_100011934791_100000703185 [0,1,0,0,0,0|3,0,0]=4 2652 B11R1.28 FCCCSc1cnccn1 62a_100000211759_100011934791 [0,1,0,0,0,0|3,0,0]=4 2653 B11R1.28 FCCCSc1cnccn1 62a_100011934791_100000211759 [0,1,0,0,0,0|3,0,0]=4 2654 B11R1.28 FCCCSc1ncccn1 62a_100000211032_100011934791 [0,1,0,0,0,0|3,0,0]=4 2655 B11R1.28 FCCCSc1ncccn1 62a_100011934791_100000211032 [0,1,0,0,0,0|3,0,0]=4 2656 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [0,1,0,0,0,0|3,0,0]=4 2657 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [0,1,0,0,0,0|3,0,0]=4 2658 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [0,1,0,0,0,0|3,0,0]=4 2659 B11R1.28 FCCNCc1ccccn1 34a_100000724931_100000721315 [0,1,0,0,0,0|2,0,0]=3 2660 B11R1.28 FCCNCc1cccnn1 2230a_100159270163_100011217306 [0,1,0,0,0,0|3,0,0]=4 2661 B11R1.28 FCCNCc1cccnn1 34a_100000724931_100016990269 [0,1,0,0,0,0|3,0,0]=4 2662 B11R1.28 FCCNCc1cnccn1 34a_100000724931_100016995436 [0,1,0,0,0,0|3,0,0]=4 2663 B11R1.28 FCCNCc1ncccn1 34a_100000724931_100000703007 [0,1,0,0,0,0|3,0,0]=4 2664 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [0,1,0,0,0,0|3,0,0]=4 2665 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [0,1,0,0,0,0|3,0,0]=4 2666 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [0,1,0,0,0,0|3,0,0]=4 2667 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [0,1,0,0,0,0|3,0,0]=4 2668 B11R1.28 FCCSCc1ccccn1 62a_100000721315_100011217306 [0,1,0,0,0,0|2,0,0]=3 2669 B11R1.28 FCCSCc1ccccn1 62a_100011217306_100000721315 [0,1,0,0,0,0|2,0,0]=3 2670 B11R1.28 FCCSCc1cccnn1 62a_100011217306_100016990269 [0,1,0,0,0,0|3,0,0]=4 2671 B11R1.28 FCCSCc1cccnn1 62a_100016990269_100011217306 [0,1,0,0,0,0|3,0,0]=4 2672 B11R1.28 FCCSCc1cnccn1 62a_100011217306_100016995436 [0,1,0,0,0,0|3,0,0]=4 2673 B11R1.28 FCCSCc1cnccn1 62a_100016995436_100011217306 [0,1,0,0,0,0|3,0,0]=4 2674 B11R1.28 FCCSCc1ncccn1 62a_100000703007_100011217306 [0,1,0,0,0,0|3,0,0]=4 2675 B11R1.28 FCCSCc1ncccn1 62a_100011217306_100000703007 [0,1,0,0,0,0|3,0,0]=4 2676 B11R1.28 FCNCCc1ccccc1 34a_100000106460_100015361967 [0,1,0,0,0,0|1,0,0]=2 2677 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [0,1,0,0,0,0|2,0,0]=3 2678 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [0,1,0,0,0,0|2,0,0]=3 2679 B11R1.28 FCOCCc1ccccn1 34a_100000210271_100015361967 [0,1,0,0,0,0|1,0,0]=2 2680 B11R1.28 FCOCCc1cccnc1 34a_100011217484_100015361967 [0,1,0,0,0,0|3,0,0]=4 2681 B11R1.28 FCOCCc1ccncc1 34a_100011216225_100015361967 [0,1,0,0,0,0|3,0,0]=4 2682 B11R1.28 FCOCCc1cnccn1 34a_100011349526_100015361967 [0,1,0,0,0,0|2,0,0]=3 2683 B11R1.28 FCSCCc1ccccc1 62a_100000765856_100015361967 [0,1,0,0,0,0|2,0,0]=3 2684 B11R1.28 FCSCCc1ccccc1 62a_100015361967_100011218657 [0,1,0,0,0,0|2,0,0]=3 2685 B11R1.28 FCSCCc1ccccn1 62a_100015183660_100015361967 [0,1,0,0,0,0|1,0,0]=2 2686 B11R1.28 FCSCCc1ccccn1 62a_100015361967_100015183660 [0,1,0,0,0,0|1,0,0]=2 2687 B11R1.28 FCSCCc1cccnc1 62a_100015361967_200011713674 [0,1,0,0,0,0|3,0,0]=4 2688 B11R1.28 FCSCCc1cccnc1 62a_200011713674_100015361967 [0,1,0,0,0,0|3,0,0]=4 2689 B11R1.28 FCSCCc1ccncc1 62a_100000723409_100015361967 [0,1,0,0,0,0|3,0,0]=4 2690 B11R1.28 FCSCCc1ccncc1 62a_100015361967_100000723409 [0,1,0,0,0,0|3,0,0]=4 2691 B11R1.28 FCSCSc1ccccc1 62a_100011218342_100015361967 [0,1,0,0,0,0|3,0,0]=4 2692 B11R1.28 FCSCSc1ccccc1 62a_100015361967_100011218342 [0,1,0,0,0,0|3,0,0]=4 2693 B11R1.28 N#CCCNc1cccnn1 27a_100000720768_100016991348 [0,1,0,0,0,0|3,0,0]=4 2694 B11R1.28 N#CCCNc1ccncn1 27a_100000720768_100000703185 [0,1,0,0,0,0|3,0,0]=4 2695 B11R1.28 N#CCCNc1cnccn1 27a_100000720768_100000211759 [0,1,0,0,0,0|3,0,0]=4 2696 B11R1.28 N#CCCNc1ncccn1 27a_100000720768_100000211032 [0,1,0,0,0,0|3,0,0]=4 2697 B11R1.28 N#CCCOc1ccccc1 7a_100000210340_100000184422 [0,1,0,0,0,0|3,0,0]=4 2698 B11R1.28 N#CCCSc1ccccc1 62a_100000719477_100011215226 [0,1,0,0,0,0|3,0,0]=4 2699 B11R1.28 N#CCCSc1ccccc1 62a_100011215226_100000041952 [0,1,0,0,0,0|3,0,0]=4 2700 B11R1.28 N#CCCSc1ccccn1 62a_100011215226_100011216584 [0,1,0,0,0,0|2,0,0]=3 2701 B11R1.28 N#CCCSc1ccccn1 62a_100011216584_100011215226 [0,1,0,0,0,0|2,0,0]=3 2702 B11R1.28 N#CCCSc1cccnn1 62a_100011215226_100016991348 [0,1,0,0,0,0|3,0,0]=4 2703 B11R1.28 N#CCCSc1cccnn1 62a_100016991348_100011215226 [0,1,0,0,0,0|3,0,0]=4 2704 B11R1.28 N#CCCSc1ccncn1 62a_100000703185_100011215226 [0,1,0,0,0,0|3,0,0]=4 2705 B11R1.28 N#CCCSc1ccncn1 62a_100011215226_100000703185 [0,1,0,0,0,0|3,0,0]=4 2706 B11R1.28 N#CCCSc1cnccn1 62a_100000211759_100011215226 [0,1,0,0,0,0|3,0,0]=4 2707 B11R1.28 N#CCCSc1cnccn1 62a_100011215226_100000211759 [0,1,0,0,0,0|3,0,0]=4 2708 B11R1.28 N#CCCSc1ncccn1 62a_100000211032_100011215226 [0,1,0,0,0,0|3,0,0]=4 2709 B11R1.28 N#CCCSc1ncccn1 62a_100011215226_100000211032 [0,1,0,0,0,0|3,0,0]=4 2710 B11R1.28 N#CCNCc1ccccc1 2230a_100015324214_100011215382 [0,1,0,0,0,0|3,0,0]=4 2711 B11R1.28 N#CCNCc1cccnn1 2230a_100159270163_100011215382 [0,1,0,0,0,0|3,0,0]=4 2712 B11R1.28 N#CCOCc1ccccc1 7a_100000210790_100011215382 [0,1,0,0,0,0|3,0,0]=4 2713 B11R1.28 N#CCSCc1ccccc1 62a_100000211182_100011215382 [0,1,0,0,0,0|3,0,0]=4 2714 B11R1.28 N#CCSCc1ccccc1 62a_100011215382_100015291786 [0,1,0,0,0,0|3,0,0]=4 2715 B11R1.28 N#CCSCc1ccccn1 62a_100000721315_100011215382 [0,1,0,0,0,0|2,0,0]=3 2716 B11R1.28 N#CCSCc1ccccn1 62a_100011215382_100000721315 [0,1,0,0,0,0|2,0,0]=3 2717 B11R1.28 N#CCSCc1cccnn1 62a_100011215382_100016990269 [0,1,0,0,0,0|3,0,0]=4 2718 B11R1.28 N#CCSCc1cccnn1 62a_100016990269_100011215382 [0,1,0,0,0,0|3,0,0]=4 2719 B11R1.28 N#CCSCc1cnccn1 62a_100011215382_100016995436 [0,1,0,0,0,0|3,0,0]=4 2720 B11R1.28 N#CCSCc1cnccn1 62a_100016995436_100011215382 [0,1,0,0,0,0|3,0,0]=4 2721 B11R1.28 N#CCSCc1ncccn1 62a_100000703007_100011215382 [0,1,0,0,0,0|3,0,0]=4 2722 B11R1.28 N#CCSCc1ncccn1 62a_100011215382_100000703007 [0,1,0,0,0,0|3,0,0]=4 2723 B11R1.28 N#CSCSc1ccccn1 62a_100000211825_100011216584 [0,1,0,0,0,0|2,0,1]=4 2724 B11R1.28 N#CSCSc1ccccn1 62a_100011216584_100000211825 [0,1,0,0,0,0|2,0,1]=4 2725 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [0,1,0,0,0,0|3,0,0]=4 2726 B11R1.28 NCCOCc1ccccn1 34a_100000210304_100000721315 [0,1,0,0,0,0|2,0,0]=3 2727 B11R1.28 NCCOCc1cccnn1 34a_100000210304_100016990269 [0,1,0,0,0,0|3,0,0]=4 2728 B11R1.28 NCCOCc1cnccn1 34a_100000210304_100016995436 [0,1,0,0,0,0|3,0,0]=4 2729 B11R1.28 NCCOCc1ncccn1 34a_100000210304_100000703007 [0,1,0,0,0,0|3,0,0]=4 2730 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [0,1,0,0,0,0|3,0,0]=4 2731 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [0,1,0,0,0,0|3,0,0]=4 2732 B11R1.28 O=CCNCc1cccnn1 2230a_100159270163_200015260668 [0,1,0,0,0,0|3,0,0]=4 2733 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [0,1,0,0,0,0|3,0,0]=4 2734 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [0,1,0,0,0,0|3,0,0]=4 2735 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [0,1,0,0,0,0|3,0,0]=4 2736 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [0,1,0,0,0,0|3,0,0]=4 2737 B11R1.28 O=CCSCc1ccccn1 62a_100000721315_200015260668 [0,1,0,0,0,0|2,0,0]=3 2738 B11R1.28 O=CCSCc1ccccn1 62a_200015260668_100000721315 [0,1,0,0,0,0|2,0,0]=3 2739 B11R1.28 O=CCSCc1cccnn1 62a_100016990269_200015260668 [0,1,0,0,0,0|3,0,0]=4 2740 B11R1.28 O=CCSCc1cccnn1 62a_200015260668_100016990269 [0,1,0,0,0,0|3,0,0]=4 2741 B11R1.28 O=CCSCc1cnccn1 62a_100016995436_200015260668 [0,1,0,0,0,0|3,0,0]=4 2742 B11R1.28 O=CCSCc1cnccn1 62a_200015260668_100016995436 [0,1,0,0,0,0|3,0,0]=4 2743 B11R1.28 O=CCSCc1ncccn1 62a_100000703007_200015260668 [0,1,0,0,0,0|3,0,0]=4 2744 B11R1.28 O=CCSCc1ncccn1 62a_200015260668_100000703007 [0,1,0,0,0,0|3,0,0]=4 2745 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [0,1,0,0,0,0|3,0,0]=4 2746 B11R1.28 OCCCNc1cccnn1 27a_100000182051_100016991348 [0,1,0,0,0,0|3,0,0]=4 2747 B11R1.28 OCCCNc1ccncn1 27a_100000182051_100000703185 [0,1,0,0,0,0|3,0,0]=4 2748 B11R1.28 OCCCNc1cnccn1 27a_100000182051_100000211759 [0,1,0,0,0,0|3,0,0]=4 2749 B11R1.28 OCCCNc1ncccn1 27a_100000182051_100000211032 [0,1,0,0,0,0|3,0,0]=4 2750 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [0,1,0,0,0,0|3,0,0]=4 2751 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [0,1,0,0,0,0|3,0,0]=4 2752 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [0,1,0,0,0,0|3,0,0]=4 2753 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [0,1,0,0,0,0|3,0,0]=4 2754 B11R1.28 OCCCSc1ccccn1 62a_100011215043_100011216584 [0,1,0,0,0,0|2,0,0]=3 2755 B11R1.28 OCCCSc1ccccn1 62a_100011216584_100011215043 [0,1,0,0,0,0|2,0,0]=3 2756 B11R1.28 OCCCSc1cccnn1 62a_100011215043_100016991348 [0,1,0,0,0,0|3,0,0]=4 2757 B11R1.28 OCCCSc1cccnn1 62a_100016991348_100011215043 [0,1,0,0,0,0|3,0,0]=4 2758 B11R1.28 OCCCSc1ccncn1 62a_100000703185_100011215043 [0,1,0,0,0,0|3,0,0]=4 2759 B11R1.28 OCCCSc1ccncn1 62a_100011215043_100000703185 [0,1,0,0,0,0|3,0,0]=4 2760 B11R1.28 OCCCSc1cnccn1 62a_100000211759_100011215043 [0,1,0,0,0,0|3,0,0]=4 2761 B11R1.28 OCCCSc1cnccn1 62a_100011215043_100000211759 [0,1,0,0,0,0|3,0,0]=4 2762 B11R1.28 OCCCSc1ncccn1 62a_100000211032_100011215043 [0,1,0,0,0,0|3,0,0]=4 2763 B11R1.28 OCCCSc1ncccn1 62a_100011215043_100000211032 [0,1,0,0,0,0|3,0,0]=4 2764 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [0,1,0,0,0,0|3,0,0]=4 2765 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [0,1,0,0,0,0|3,0,0]=4 2766 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [0,1,0,0,0,0|3,0,0]=4 2767 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [0,1,0,0,0,0|3,0,0]=4 2768 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [0,1,0,0,0,0|3,0,0]=4 2769 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [0,1,0,0,0,0|3,0,0]=4 2770 B11R1.28 OCCNCc1ccccn1 207a_100000210304_100000209966 [0,1,0,0,0,0|2,0,0]=3 2771 B11R1.28 OCCNCc1ccccn1 2230a_100016997473_100000721315 [0,1,0,0,0,0|2,0,0]=3 2772 B11R1.28 OCCNCc1ccccn1 270004a_100000210304_100000209966 [0,1,0,0,0,0|2,0,0]=3 2773 B11R1.28 OCCNCc1ccccn1 34a_100016990907_100000721315 [0,1,0,0,0,0|2,0,0]=3 2774 B11R1.28 OCCNCc1cccnn1 2230a_100016997473_100016990269 [0,1,0,0,0,0|3,0,0]=4 2775 B11R1.28 OCCNCc1cccnn1 2230a_100159270163_100000211926 [0,1,0,0,0,0|3,0,0]=4 2776 B11R1.28 OCCNCc1cccnn1 34a_100016990907_100016990269 [0,1,0,0,0,0|3,0,0]=4 2777 B11R1.28 OCCNCc1cnccn1 2230a_100016997473_100016995436 [0,1,0,0,0,0|3,0,0]=4 2778 B11R1.28 OCCNCc1cnccn1 270004a_100000210304_100000749867 [0,1,0,0,0,0|3,0,0]=4 2779 B11R1.28 OCCNCc1cnccn1 34a_100016990907_100016995436 [0,1,0,0,0,0|3,0,0]=4 2780 B11R1.28 OCCNCc1ncccn1 2230a_100016997473_100000703007 [0,1,0,0,0,0|3,0,0]=4 2781 B11R1.28 OCCNCc1ncccn1 270004a_100000210304_100011532527 [0,1,0,0,0,0|3,0,0]=4 2782 B11R1.28 OCCNCc1ncccn1 34a_100016990907_100000703007 [0,1,0,0,0,0|3,0,0]=4 2783 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [0,1,0,0,0,0|3,0,0]=4 2784 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [0,1,0,0,0,0|3,0,0]=4 2785 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [0,1,0,0,0,0|3,0,0]=4 2786 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [0,1,0,0,0,0|3,0,0]=4 2787 B11R1.28 OCCSCc1ccccn1 62a_100000211926_100000721315 [0,1,0,0,0,0|2,0,0]=3 2788 B11R1.28 OCCSCc1ccccn1 62a_100000721315_100000211926 [0,1,0,0,0,0|2,0,0]=3 2789 B11R1.28 OCCSCc1cccnn1 62a_100000211926_100016990269 [0,1,0,0,0,0|3,0,0]=4 2790 B11R1.28 OCCSCc1cccnn1 62a_100016990269_100000211926 [0,1,0,0,0,0|3,0,0]=4 2791 B11R1.28 OCCSCc1cnccn1 62a_100000211926_100016995436 [0,1,0,0,0,0|3,0,0]=4 2792 B11R1.28 OCCSCc1cnccn1 62a_100016995436_100000211926 [0,1,0,0,0,0|3,0,0]=4 2793 B11R1.28 OCCSCc1ncccn1 62a_100000211926_100000703007 [0,1,0,0,0,0|3,0,0]=4 2794 B11R1.28 OCCSCc1ncccn1 62a_100000703007_100000211926 [0,1,0,0,0,0|3,0,0]=4 2795 B11R1.28 [13CH3]NC/C=C/c1ccccc1 2230a_100020603302_200025704644 [0,1,0,0,0,0|1,0,1]=3 2796 B11R1.28 [13CH3]NC/C=C/c1ccccc1 34a_100020603302_200025704644 [0,1,0,0,0,0|1,0,1]=3 2797 B11R1.28 [13CH3]NCC#Cc1ccccc1 34a_100000735379_200025704644 [0,1,0,0,0,0|1,0,1]=3 2798 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [0,1,0,0,0,0|1,0,0]=2 2799 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [0,1,0,0,0,0|1,0,0]=2 2800 B11R1.28 [13CH3]NCCCc1cccnc1 2230a_100011532358_200025704644 [0,1,0,0,0,0|2,0,0]=3 2801 B11R1.28 [13CH3]NCCCc1cccnc1 34a_100011532358_200025704644 [0,1,0,0,0,0|2,0,0]=3 2802 B11R1.28 [13CH3]NCCCc1ccncc1 2230a_100011275580_200025704644 [0,1,0,0,0,0|2,0,0]=3 2803 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [0,1,0,0,0,0|1,0,0]=2 2804 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [0,1,0,0,0,0|1,0,0]=2 2805 B11R1.28 [13CH3]NCCOc1ccccn1 2230a_106741647558_200025704644 [0,1,0,0,0,0|0,0,0]=1 2806 B11R1.28 [13CH3]NCCOc1cccnc1 2230a_100000754688_200025704644 [0,1,0,0,0,0|2,0,0]=3 2807 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [0,1,0,0,0,0|1,0,0]=2 2808 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [0,1,0,0,0,0|2,0,1]=4 2809 B11R1.28 [13CH3]OCC#Cc1ccccc1 34a_100011217464_200025704644 [0,1,0,0,0,0|2,0,1]=4 2810 B11R1.28 [13CH3]OCC#Cc1ccccc1 7a_100011217464_200025704644 [0,1,0,0,0,0|2,0,1]=4 2811 B11R1.28 [13CH3]OCC#Cc1ccccn1 34a_100011894333_200025704644 [0,1,0,0,0,0|1,0,1]=3 2812 B11R1.28 [13CH3]OCCCC1=CCC=CC1 34a_100020667889_200025704644 [0,1,0,0,0,0|2,0,1]=4 2813 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [0,1,0,0,0,0|2,0,0]=3 2814 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [0,1,0,0,0,0|2,0,0]=3 2815 B11R1.28 [13CH3]OCCCc1ccccn1 34a_100011215068_200025704644 [0,1,0,0,0,0|1,0,0]=2 2816 B11R1.28 [13CH3]OCCCc1cccnc1 34a_100000211284_200025704644 [0,1,0,0,0,0|3,0,0]=4 2817 B11R1.28 [13CH3]OCCCc1ccncc1 34a_100000210659_200025704644 [0,1,0,0,0,0|3,0,0]=4 2818 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [0,1,0,0,0,0|2,0,0]=3 2819 B11R1.28 [13CH3]OCCNc1ccncc1 34a_200011243140_200025704644 [0,1,0,0,0,0|3,0,0]=4 2820 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [0,1,0,0,0,0|2,0,0]=3 2821 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [0,1,0,0,0,0|2,0,0]=3 2822 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [0,1,0,0,0,0|2,0,0]=3 2823 B11R1.28 [13CH3]OCCSc1ccccn1 7a_100000156319_200025704644 [0,1,0,0,0,0|1,0,0]=2 2824 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_100016265936_200025704644 [0,1,0,0,0,0|2,0,1]=4 2825 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_200025704644_100016265936 [0,1,0,0,0,0|2,0,1]=4 2826 B11R1.28 [13CH3]SCC#Cc1ccccc1 62a_200025704644_100011352542 [0,1,0,0,0,0|2,0,1]=4 2827 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [0,1,0,0,0,0|2,0,0]=3 2828 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [0,1,0,0,0,0|2,0,0]=3 2829 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [0,1,0,0,0,0|2,0,0]=3 2830 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [0,1,0,0,0,0|2,0,0]=3 2831 B11R1.28 [13CH3]SCCSc1ccccc1 62a_100000246102_200025704644 [0,1,0,0,0,0|2,0,0]=3 2832 B11R1.28 [13CH3]SCCSc1ccccc1 62a_200025704644_100000246102 [0,1,0,0,0,0|2,0,0]=3 2833 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [0,1,0,0,0,0|2,0,0]=3 2834 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [0,1,0,0,0,0|2,0,0]=3 2835 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [0,1,0,0,0,0|2,0,0]=3 2836 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [0,1,0,0,0,0|2,0,0]=3 2837 B11R1.40 C#CC(=O)Cc1ccccn1 1458a_100000211873_100000721315 [0,1,0,0,0,0|1,0,2]=4 2838 B11R1.40 C#CC(C)Sc1ccccn1 62a_200000035995_100011216584 [0,1,0,0,0,0|2,0,1]=4 2839 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [0,1,0,0,0,0|1,0,2]=4 2840 B11R1.40 C=CC(C)Sc1ccccn1 62a_100011215867_100011216584 [0,1,0,0,0,0|2,0,1]=4 2841 B11R1.40 CC(C#N)Sc1ccccn1 62a_100000703298_100011216584 [0,1,0,0,0,0|3,0,0]=4 2842 B11R1.40 CC(C#N)Sc1ccccn1 62a_100011216584_100000703298 [0,1,0,0,0,0|3,0,0]=4 2843 B11R1.40 CC(CO)Sc1ccccn1 62a_100012180447_100011216584 [0,1,0,0,0,0|3,0,0]=4 2844 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,1,0,0,0,0|2,0,0]=3 2845 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,1,0,0,0,0|2,0,0]=3 2846 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [0,1,0,0,0,0|2,0,0]=3 2847 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [0,1,0,0,0,0|2,0,0]=3 2848 B11R1.40 CC(Cc1ccccn1)N[13CH3] 2230a_100000238496_200025704644 [0,1,0,0,0,0|0,0,0]=1 2849 B11R1.40 CC(Cc1cccnc1)N[13CH3] 2230a_100011207255_200025704644 [0,1,0,0,0,0|2,0,0]=3 2850 B11R1.40 CC(Cc1cnccn1)N[13CH3] 2230a_100011277835_200025704644 [0,1,0,0,0,0|1,0,0]=2 2851 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,1,0,0,0,0|2,0,1]=4 2852 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,1,0,0,0,0|1,0,1]=3 2853 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,1,0,0,0,0|1,0,1]=3 2854 B11R1.40 CCC(=O)Cc1cccnn1 1458a_100000210414_100016990269 [0,1,0,0,0,0|2,0,1]=4 2855 B11R1.40 CCC(=O)Cc1cnccn1 1458a_100000210414_100016995436 [0,1,0,0,0,0|2,0,1]=4 2856 B11R1.40 CCC(=O)Cc1ncccn1 1458a_100000210414_100000703007 [0,1,0,0,0,0|2,0,1]=4 2857 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [0,1,0,0,0,0|3,0,0]=4 2858 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [0,1,0,0,0,0|3,0,0]=4 2859 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [0,1,0,0,0,0|3,0,0]=4 2860 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [0,1,0,0,0,0|3,0,0]=4 2861 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [0,1,0,0,0,0|3,0,0]=4 2862 B11R1.40 CCC(C)Sc1ccccn1 62a_100000758301_100011216584 [0,1,0,0,0,0|2,0,0]=3 2863 B11R1.40 CCC(C)Sc1ccccn1 62a_100011216584_100000758301 [0,1,0,0,0,0|2,0,0]=3 2864 B11R1.40 CCC(C)Sc1cccnn1 62a_100000758301_100016991348 [0,1,0,0,0,0|3,0,0]=4 2865 B11R1.40 CCC(C)Sc1cccnn1 62a_100016991348_100000758301 [0,1,0,0,0,0|3,0,0]=4 2866 B11R1.40 CCC(C)Sc1ccncn1 62a_100000703185_100000758301 [0,1,0,0,0,0|3,0,0]=4 2867 B11R1.40 CCC(C)Sc1ccncn1 62a_100000758301_100000703185 [0,1,0,0,0,0|3,0,0]=4 2868 B11R1.40 CCC(C)Sc1cnccn1 62a_100000211759_100000758301 [0,1,0,0,0,0|3,0,0]=4 2869 B11R1.40 CCC(C)Sc1cnccn1 62a_100000758301_100000211759 [0,1,0,0,0,0|3,0,0]=4 2870 B11R1.40 CCC(C)Sc1ncccn1 62a_100000211032_100000758301 [0,1,0,0,0,0|3,0,0]=4 2871 B11R1.40 CCC(C)Sc1ncccn1 62a_100000758301_100000211032 [0,1,0,0,0,0|3,0,0]=4 2872 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [0,1,0,0,0,0|3,0,0]=4 2873 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [0,1,0,0,0,0|3,0,0]=4 2874 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [0,1,0,0,0,0|3,0,0]=4 2875 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [0,1,0,0,0,0|3,0,0]=4 2876 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [0,1,0,0,0,0|3,0,0]=4 2877 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [0,1,0,0,0,0|3,0,0]=4 2878 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000201164_200000210301 [0,1,0,0,0,0|2,0,0]=3 2879 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000207498_100000210202 [0,1,0,0,0,0|2,0,0]=3 2880 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000225621_100000721315 [0,1,0,0,0,0|2,0,0]=3 2881 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000201164_200000210301 [0,1,0,0,0,0|2,0,0]=3 2882 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000207498_100000204670 [0,1,0,0,0,0|2,0,0]=3 2883 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000225621_100000721315 [0,1,0,0,0,0|2,0,0]=3 2884 B11R1.40 CCN(C)Cc1cccnn1 2230a_100000225621_100016990269 [0,1,0,0,0,0|3,0,0]=4 2885 B11R1.40 CCN(C)Cc1cnccn1 2230a_100000225621_100016995436 [0,1,0,0,0,0|3,0,0]=4 2886 B11R1.40 CCN(C)Cc1cnccn1 2230a_100011269079_100000210202 [0,1,0,0,0,0|3,0,0]=4 2887 B11R1.40 CCN(C)Cc1cnccn1 269982a_100000225621_100016995436 [0,1,0,0,0,0|3,0,0]=4 2888 B11R1.40 CCN(C)Cc1cnccn1 269982a_100011269079_100000204670 [0,1,0,0,0,0|3,0,0]=4 2889 B11R1.40 CCN(C)Cc1ncccn1 2230a_100000225621_100000703007 [0,1,0,0,0,0|3,0,0]=4 2890 B11R1.40 CCN(C)Cc1ncccn1 2230a_100025716638_100000210202 [0,1,0,0,0,0|3,0,0]=4 2891 B11R1.40 CCN(C)Cc1ncccn1 269982a_100000225621_100000703007 [0,1,0,0,0,0|3,0,0]=4 2892 B11R1.40 CCN(C)Cc1ncccn1 269982a_100025716638_100000204670 [0,1,0,0,0,0|3,0,0]=4 2893 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [0,1,0,0,0,0|3,0,0]=4 2894 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [0,1,0,0,0,0|3,0,0]=4 2895 B11R1.40 CCN([13CH3])Cc1ccccn1 2230a_100000201164_200025704644 [0,1,0,0,0,0|2,0,0]=3 2896 B11R1.40 CCN([13CH3])Cc1ccccn1 269982a_100000201164_200025704644 [0,1,0,0,0,0|2,0,0]=3 2897 B11R1.40 CN(CF)Cc1ccccn1 269982a_100000207498_100015361967 [0,1,0,0,0,0|3,0,0]=4 2898 B11R1.40 CNC(=O)C[n+]1ccccc1 11a_106832991635_200000086051 [0,1,0,0,0,0|2,0,1]=4 2899 B11R1.40 CNC(=O)C[n+]1ccccc1 240690a_100102657272_200000086051 [0,1,0,0,0,0|2,0,1]=4 2900 B11R1.40 CNC(=O)C[n+]1ccccc1 527a_100102657272_200000086051 [0,1,0,0,0,0|2,0,1]=4 2901 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [0,1,0,0,0,0|0,0,1]=2 2902 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [0,1,0,0,0,0|2,0,1]=4 2903 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [0,1,0,0,0,0|2,0,1]=4 2904 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [0,1,0,0,0,0|2,0,1]=4 2905 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [0,1,0,0,0,0|2,0,1]=4 2906 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [0,1,0,0,0,0|2,0,1]=4 2907 B11R1.40 CNC(=O)Cc1cnccn1 11a_106832991635_100000726051 [0,1,0,0,0,0|1,0,1]=3 2908 B11R1.40 CNC(=O)Cc1cnccn1 240690a_100102657272_100000726051 [0,1,0,0,0,0|1,0,1]=3 2909 B11R1.40 CNC(=O)Cc1cnccn1 527a_100102657272_100000726051 [0,1,0,0,0,0|1,0,1]=3 2910 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,1,0,0,0,0|2,0,1]=4 2911 B11R1.40 CNC(C)C[n+]1ccccc1 270004a_106832991635_100000034229 [0,1,0,0,0,0|2,0,0]=3 2912 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [0,1,0,0,0,0|1,0,0]=2 2913 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [0,1,0,0,0,0|1,0,0]=2 2914 B11R1.40 CNC(C)Cc1ccccn1 2230a_100000238496_200000210301 [0,1,0,0,0,0|0,0,0]=1 2915 B11R1.40 CNC(C)Cc1cccnc1 2230a_100011207255_200000210301 [0,1,0,0,0,0|2,0,0]=3 2916 B11R1.40 CNC(C)Cc1cccnc1 270004a_106832991635_100015187140 [0,1,0,0,0,0|2,0,0]=3 2917 B11R1.40 CNC(C)Cc1ccncc1 270004a_106832991635_100000238508 [0,1,0,0,0,0|2,0,0]=3 2918 B11R1.40 CNC(C)Cc1cnccn1 2230a_100011277835_200000210301 [0,1,0,0,0,0|1,0,0]=2 2919 B11R1.40 CNC(C)Cc1cnccn1 270004a_106832991635_100015184882 [0,1,0,0,0,0|1,0,0]=2 2920 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,1,0,0,0,0|2,0,0]=3 2921 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,1,0,0,0,0|2,0,0]=3 2922 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,1,0,0,0,0|2,0,0]=3 2923 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [0,1,0,0,0,0|3,0,0]=4 2924 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [0,1,0,0,0,0|3,0,0]=4 2925 B11R1.40 COC(C)Sc1ccccn1 62a_100009879195_100011216584 [0,1,0,0,0,0|2,0,0]=3 2926 B11R1.40 COC(C)Sc1ccccn1 62a_100011216584_100009879195 [0,1,0,0,0,0|2,0,0]=3 2927 B11R1.40 COC(C)Sc1cccnn1 62a_100009879195_100016991348 [0,1,0,0,0,0|3,0,0]=4 2928 B11R1.40 COC(C)Sc1cccnn1 62a_100016991348_100009879195 [0,1,0,0,0,0|3,0,0]=4 2929 B11R1.40 COC(C)Sc1ccncn1 62a_100000703185_100009879195 [0,1,0,0,0,0|3,0,0]=4 2930 B11R1.40 COC(C)Sc1ccncn1 62a_100009879195_100000703185 [0,1,0,0,0,0|3,0,0]=4 2931 B11R1.40 COC(C)Sc1cnccn1 62a_100000211759_100009879195 [0,1,0,0,0,0|3,0,0]=4 2932 B11R1.40 COC(C)Sc1cnccn1 62a_100009879195_100000211759 [0,1,0,0,0,0|3,0,0]=4 2933 B11R1.40 COC(C)Sc1ncccn1 62a_100000211032_100009879195 [0,1,0,0,0,0|3,0,0]=4 2934 B11R1.40 COC(C)Sc1ncccn1 62a_100009879195_100000211032 [0,1,0,0,0,0|3,0,0]=4 2935 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [0,1,0,0,0,0|2,0,0]=3 2936 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [0,1,0,0,0,0|2,0,0]=3 2937 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100011216584_100016084084 [0,1,0,0,0,0|3,0,0]=4 2938 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100016084084_100011216584 [0,1,0,0,0,0|3,0,0]=4 2939 B11R1.40 N#CC(F)Sc1ccccn1 62a_100011216584_200000117898 [0,1,0,0,0,0|3,0,0]=4 2940 B11R1.40 N#CC(F)Sc1ccccn1 62a_200000117898_100011216584 [0,1,0,0,0,0|3,0,0]=4 2941 B11R1.40 O=C(CF)Cc1ccccn1 1458a_100000233486_100015361967 [0,1,0,0,0,0|2,0,1]=4 2942 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [0,1,0,0,0,0|2,0,1]=4 2943 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [0,1,0,0,0,0|3,0,0]=4 2944 B11R1.91 C=C(C)CNc1cccnn1 27a_100000765925_100016991348 [0,1,0,0,0,0|3,0,0]=4 2945 B11R1.91 C=C(C)CNc1ccncn1 27a_100000765925_100000703185 [0,1,0,0,0,0|3,0,0]=4 2946 B11R1.91 C=C(C)CNc1cnccn1 27a_100000765925_100000211759 [0,1,0,0,0,0|3,0,0]=4 2947 B11R1.91 C=C(C)CNc1ncccn1 27a_100000765925_100000211032 [0,1,0,0,0,0|3,0,0]=4 2948 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [0,1,0,0,0,0|3,0,0]=4 2949 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [0,1,0,0,0,0|3,0,0]=4 2950 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [0,1,0,0,0,0|3,0,0]=4 2951 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [0,1,0,0,0,0|3,0,0]=4 2952 B11R1.91 C=C(C)CSc1ccccn1 62a_100000748629_100011216584 [0,1,0,0,0,0|2,0,0]=3 2953 B11R1.91 C=C(C)CSc1ccccn1 62a_100011216584_100000211660 [0,1,0,0,0,0|2,0,0]=3 2954 B11R1.91 C=C(C)CSc1cccnn1 62a_100000748629_100016991348 [0,1,0,0,0,0|3,0,0]=4 2955 B11R1.91 C=C(C)CSc1cccnn1 62a_100016991348_100000211660 [0,1,0,0,0,0|3,0,0]=4 2956 B11R1.91 C=C(C)CSc1ccncn1 62a_100000703185_100000211660 [0,1,0,0,0,0|3,0,0]=4 2957 B11R1.91 C=C(C)CSc1ccncn1 62a_100000748629_100000703185 [0,1,0,0,0,0|3,0,0]=4 2958 B11R1.91 C=C(C)CSc1cnccn1 62a_100000211759_100000211660 [0,1,0,0,0,0|3,0,0]=4 2959 B11R1.91 C=C(C)CSc1cnccn1 62a_100000748629_100000211759 [0,1,0,0,0,0|3,0,0]=4 2960 B11R1.91 C=C(C)CSc1ncccn1 62a_100000211032_100000211660 [0,1,0,0,0,0|3,0,0]=4 2961 B11R1.91 C=C(C)CSc1ncccn1 62a_100000748629_100000211032 [0,1,0,0,0,0|3,0,0]=4 2962 B11R1.91 C=C(F)CSc1ccccn1 62a_100000042424_100011216584 [0,1,0,0,0,0|2,0,1]=4 2963 B11R1.91 C=C(F)CSc1ccccn1 62a_100011216584_100000042424 [0,1,0,0,0,0|2,0,1]=4 2964 B11R1.91 CC(=O)C#Cc1ccccn1 1458a_102125277312_200000210301 [0,1,0,0,0,0|1,0,2]=4 2965 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [0,1,0,0,0,0|1,0,2]=4 2966 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,1,0,0,0,0|2,0,0]=3 2967 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,1,0,0,0,0|2,0,0]=3 2968 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,1,0,0,0,0|1,0,0]=2 2969 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,1,0,0,0,0|1,0,0]=2 2970 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,1,0,0,0,0|3,0,0]=4 2971 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,1,0,0,0,0|3,0,0]=4 2972 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [0,1,0,0,0,0|3,0,0]=4 2973 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [0,1,0,0,0,0|3,0,0]=4 2974 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,1,0,0,0,0|3,0,0]=4 2975 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [0,1,0,0,0,0|2,0,0]=3 2976 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,1,0,0,0,0|3,0,0]=4 2977 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [0,1,0,0,0,0|2,0,0]=3 2978 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,1,0,0,0,0|3,0,0]=4 2979 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,1,0,0,0,0|3,0,0]=4 2980 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,1,0,0,0,0|3,0,0]=4 2981 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,1,0,0,0,0|3,0,0]=4 2982 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [0,1,0,0,0,0|2,0,0]=3 2983 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [0,1,0,0,0,0|2,0,0]=3 2984 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [0,1,0,0,0,0|2,0,0]=3 2985 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [0,1,0,0,0,0|2,0,0]=3 2986 B11R1.91 CC(=O)NCc1cccnn1 11a_100159270163_100015343762 [0,1,0,0,0,0|3,0,0]=4 2987 B11R1.91 CC(=O)NCc1cccnn1 240690a_100159270163_100015343762 [0,1,0,0,0,0|3,0,0]=4 2988 B11R1.91 CC(=O)NCc1cccnn1 527a_100159270163_100103153847 [0,1,0,0,0,0|3,0,0]=4 2989 B11R1.91 CC(=O)NCc1ccncn1 11a_100000736019_100015343762 [0,1,0,0,0,0|3,0,0]=4 2990 B11R1.91 CC(=O)NCc1ccncn1 240690a_100000736019_100015343762 [0,1,0,0,0,0|3,0,0]=4 2991 B11R1.91 CC(=O)NCc1ccncn1 527a_100000736019_100103153847 [0,1,0,0,0,0|3,0,0]=4 2992 B11R1.91 CC(=O)NCc1cnccn1 11a_100000737960_100015343762 [0,1,0,0,0,0|3,0,0]=4 2993 B11R1.91 CC(=O)NCc1cnccn1 240690a_100000737960_100015343762 [0,1,0,0,0,0|3,0,0]=4 2994 B11R1.91 CC(=O)NCc1cnccn1 527a_100000737960_100103153847 [0,1,0,0,0,0|3,0,0]=4 2995 B11R1.91 CC(=O)NCc1ncccn1 11a_100015189908_100015343762 [0,1,0,0,0,0|3,0,0]=4 2996 B11R1.91 CC(=O)NCc1ncccn1 240690a_100015189908_100015343762 [0,1,0,0,0,0|3,0,0]=4 2997 B11R1.91 CC(=O)NCc1ncccn1 527a_100015189908_100103153847 [0,1,0,0,0,0|3,0,0]=4 2998 B11R1.91 CC(=O)NNc1ccccn1 22a_100000183288_100000070787 [0,1,0,0,0,0|3,0,0]=4 2999 B11R1.91 CC(C)C=Cc1ccccn1 271570a_100016257149_100011216584 [0,1,0,0,0,0|1,0,2]=4 3000 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [0,1,0,0,0,0|3,0,0]=4 3001 B11R1.91 CC(C)CNc1cccnn1 27a_100000210953_100016991348 [0,1,0,0,0,0|3,0,0]=4 3002 B11R1.91 CC(C)CNc1ccncn1 27a_100000210953_100000703185 [0,1,0,0,0,0|3,0,0]=4 3003 B11R1.91 CC(C)CNc1cnccn1 27a_100000210953_100000211759 [0,1,0,0,0,0|3,0,0]=4 3004 B11R1.91 CC(C)CNc1ncccn1 27a_100000210953_100000211032 [0,1,0,0,0,0|3,0,0]=4 3005 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [0,1,0,0,0,0|3,0,0]=4 3006 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [0,1,0,0,0,0|3,0,0]=4 3007 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [0,1,0,0,0,0|3,0,0]=4 3008 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [0,1,0,0,0,0|3,0,0]=4 3009 B11R1.91 CC(C)CSc1ccccn1 62a_100000210624_100011216584 [0,1,0,0,0,0|2,0,0]=3 3010 B11R1.91 CC(C)CSc1ccccn1 62a_100011216584_100000210760 [0,1,0,0,0,0|2,0,0]=3 3011 B11R1.91 CC(C)CSc1cccnn1 62a_100000210624_100016991348 [0,1,0,0,0,0|3,0,0]=4 3012 B11R1.91 CC(C)CSc1cccnn1 62a_100016991348_100000210760 [0,1,0,0,0,0|3,0,0]=4 3013 B11R1.91 CC(C)CSc1ccncn1 62a_100000210624_100000703185 [0,1,0,0,0,0|3,0,0]=4 3014 B11R1.91 CC(C)CSc1ccncn1 62a_100000703185_100000210760 [0,1,0,0,0,0|3,0,0]=4 3015 B11R1.91 CC(C)CSc1cnccn1 62a_100000210624_100000211759 [0,1,0,0,0,0|3,0,0]=4 3016 B11R1.91 CC(C)CSc1cnccn1 62a_100000211759_100000210760 [0,1,0,0,0,0|3,0,0]=4 3017 B11R1.91 CC(C)CSc1ncccn1 62a_100000210624_100000211032 [0,1,0,0,0,0|3,0,0]=4 3018 B11R1.91 CC(C)CSc1ncccn1 62a_100000211032_100000210760 [0,1,0,0,0,0|3,0,0]=4 3019 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [0,1,0,0,0,0|3,0,0]=4 3020 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [0,1,0,0,0,0|3,0,0]=4 3021 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [0,1,0,0,0,0|3,0,0]=4 3022 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [0,1,0,0,0,0|3,0,0]=4 3023 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [0,1,0,0,0,0|3,0,0]=4 3024 B11R1.91 CC(C)NCc1ccccn1 207a_100138425928_100000209966 [0,1,0,0,0,0|2,0,0]=3 3025 B11R1.91 CC(C)NCc1ccccn1 2230a_100138425928_100000721315 [0,1,0,0,0,0|2,0,0]=3 3026 B11R1.91 CC(C)NCc1ccccn1 34a_100138425928_100000721315 [0,1,0,0,0,0|2,0,0]=3 3027 B11R1.91 CC(C)NCc1cccnn1 2230a_100138425928_100016990269 [0,1,0,0,0,0|3,0,0]=4 3028 B11R1.91 CC(C)NCc1cccnn1 2230a_100159270163_100000210206 [0,1,0,0,0,0|3,0,0]=4 3029 B11R1.91 CC(C)NCc1cccnn1 34a_100138425928_100016990269 [0,1,0,0,0,0|3,0,0]=4 3030 B11R1.91 CC(C)NCc1cnccn1 2230a_100138425928_100016995436 [0,1,0,0,0,0|3,0,0]=4 3031 B11R1.91 CC(C)NCc1cnccn1 34a_100138425928_100016995436 [0,1,0,0,0,0|3,0,0]=4 3032 B11R1.91 CC(C)NCc1ncccn1 2230a_100138425928_100000703007 [0,1,0,0,0,0|3,0,0]=4 3033 B11R1.91 CC(C)NCc1ncccn1 34a_100138425928_100000703007 [0,1,0,0,0,0|3,0,0]=4 3034 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [0,1,0,0,0,0|3,0,0]=4 3035 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [0,1,0,0,0,0|3,0,0]=4 3036 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [0,1,0,0,0,0|3,0,0]=4 3037 B11R1.91 CC(C)OCc1ccccn1 34a_100000212225_100000721315 [0,1,0,0,0,0|2,0,0]=3 3038 B11R1.91 CC(C)OCc1cccnn1 34a_100000212225_100016990269 [0,1,0,0,0,0|3,0,0]=4 3039 B11R1.91 CC(C)OCc1cnccn1 34a_100000212225_100016995436 [0,1,0,0,0,0|3,0,0]=4 3040 B11R1.91 CC(C)OCc1ncccn1 34a_100000212225_100000703007 [0,1,0,0,0,0|3,0,0]=4 3041 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [0,1,0,0,0,0|3,0,0]=4 3042 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [0,1,0,0,0,0|3,0,0]=4 3043 B11R1.91 CC(C)SCc1ccccn1 62a_100000210206_100000721315 [0,1,0,0,0,0|2,0,0]=3 3044 B11R1.91 CC(C)SCc1ccccn1 62a_100000721315_100000210206 [0,1,0,0,0,0|2,0,0]=3 3045 B11R1.91 CC(C)SCc1cccnn1 62a_100000210206_100016990269 [0,1,0,0,0,0|3,0,0]=4 3046 B11R1.91 CC(C)SCc1cccnn1 62a_100016990269_100000210206 [0,1,0,0,0,0|3,0,0]=4 3047 B11R1.91 CC(C)SCc1cnccn1 62a_100000210206_100016995436 [0,1,0,0,0,0|3,0,0]=4 3048 B11R1.91 CC(C)SCc1cnccn1 62a_100016995436_100000210206 [0,1,0,0,0,0|3,0,0]=4 3049 B11R1.91 CC(C)SCc1ncccn1 62a_100000210206_100000703007 [0,1,0,0,0,0|3,0,0]=4 3050 B11R1.91 CC(C)SCc1ncccn1 62a_100000703007_100000210206 [0,1,0,0,0,0|3,0,0]=4 3051 B11R1.91 CC(O)C=Cc1ccccn1 271570a_200011019289_100011216584 [0,1,0,0,0,0|1,0,2]=4 3052 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [0,1,0,0,0,0|3,0,0]=4 3053 B11R1.91 CC(O)CNc1cccnn1 27a_100000210904_100016991348 [0,1,0,0,0,0|3,0,0]=4 3054 B11R1.91 CC(O)CNc1ccncn1 27a_100000210904_100000703185 [0,1,0,0,0,0|3,0,0]=4 3055 B11R1.91 CC(O)CNc1cnccn1 27a_100000210904_100000211759 [0,1,0,0,0,0|3,0,0]=4 3056 B11R1.91 CC(O)CNc1ncccn1 27a_100000210904_100000211032 [0,1,0,0,0,0|3,0,0]=4 3057 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [0,1,0,0,0,0|3,0,0]=4 3058 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [0,1,0,0,0,0|3,0,0]=4 3059 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [0,1,0,0,0,0|3,0,0]=4 3060 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [0,1,0,0,0,0|3,0,0]=4 3061 B11R1.91 CC(O)CSc1ccccn1 62a_100011216584_100011218427 [0,1,0,0,0,0|2,0,0]=3 3062 B11R1.91 CC(O)CSc1ccccn1 62a_100011218427_100011216584 [0,1,0,0,0,0|2,0,0]=3 3063 B11R1.91 CC(O)CSc1cccnn1 62a_100011218427_100016991348 [0,1,0,0,0,0|3,0,0]=4 3064 B11R1.91 CC(O)CSc1cccnn1 62a_100016991348_100011218427 [0,1,0,0,0,0|3,0,0]=4 3065 B11R1.91 CC(O)CSc1ccncn1 62a_100000703185_100011218427 [0,1,0,0,0,0|3,0,0]=4 3066 B11R1.91 CC(O)CSc1ccncn1 62a_100011218427_100000703185 [0,1,0,0,0,0|3,0,0]=4 3067 B11R1.91 CC(O)CSc1cnccn1 62a_100000211759_100011218427 [0,1,0,0,0,0|3,0,0]=4 3068 B11R1.91 CC(O)CSc1cnccn1 62a_100011218427_100000211759 [0,1,0,0,0,0|3,0,0]=4 3069 B11R1.91 CC(O)CSc1ncccn1 62a_100000211032_100011218427 [0,1,0,0,0,0|3,0,0]=4 3070 B11R1.91 CC(O)CSc1ncccn1 62a_100011218427_100000211032 [0,1,0,0,0,0|3,0,0]=4 3071 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [0,1,0,0,0,0|1,0,0]=2 3072 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [0,1,0,0,0,0|1,0,0]=2 3073 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [0,1,0,0,0,0|1,0,0]=2 3074 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [0,1,0,0,0,0|1,0,0]=2 3075 B11R1.91 CN(C)CCc1ccccn1 2230a_100000737206_200000210301 [0,1,0,0,0,0|0,0,0]=1 3076 B11R1.91 CN(C)CCc1ccccn1 2230a_100102631434_100015183660 [0,1,0,0,0,0|0,0,0]=1 3077 B11R1.91 CN(C)CCc1ccccn1 269982a_100000737206_200000210301 [0,1,0,0,0,0|0,0,0]=1 3078 B11R1.91 CN(C)CCc1ccccn1 269982a_100102631434_100015183660 [0,1,0,0,0,0|0,0,0]=1 3079 B11R1.91 CN(C)CCc1cccnc1 2230a_100000763209_200000210301 [0,1,0,0,0,0|2,0,0]=3 3080 B11R1.91 CN(C)CCc1cccnc1 2230a_100102631434_200011713674 [0,1,0,0,0,0|2,0,0]=3 3081 B11R1.91 CN(C)CCc1cccnc1 269982a_100000763209_200000210301 [0,1,0,0,0,0|2,0,0]=3 3082 B11R1.91 CN(C)CCc1cccnc1 269982a_100102631434_200011713674 [0,1,0,0,0,0|2,0,0]=3 3083 B11R1.91 CN(C)CCc1ccncc1 2230a_100000742850_200000210301 [0,1,0,0,0,0|2,0,0]=3 3084 B11R1.91 CN(C)CCc1ccncc1 2230a_100102631434_100000723409 [0,1,0,0,0,0|2,0,0]=3 3085 B11R1.91 CN(C)CCc1ccncc1 269982a_100000742850_200000210301 [0,1,0,0,0,0|2,0,0]=3 3086 B11R1.91 CN(C)CCc1ccncc1 269982a_100102631434_100000723409 [0,1,0,0,0,0|2,0,0]=3 3087 B11R1.91 CN(C)CSc1ccccc1 2230a_100102631434_100011218342 [0,1,0,0,0,0|2,0,0]=3 3088 B11R1.91 CN(C)CSc1ccccc1 269982a_100102631434_100011218342 [0,1,0,0,0,0|2,0,0]=3 3089 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [0,1,0,0,0,0|1,0,0]=2 3090 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [0,1,0,0,0,0|1,0,0]=2 3091 B11R1.91 CN([13CH3])CCc1ccccn1 2230a_100000737206_200025704644 [0,1,0,0,0,0|0,0,0]=1 3092 B11R1.91 CN([13CH3])CCc1ccccn1 269982a_100000737206_200025704644 [0,1,0,0,0,0|0,0,0]=1 3093 B11R1.91 CN([13CH3])CCc1cccnc1 2230a_100000763209_200025704644 [0,1,0,0,0,0|2,0,0]=3 3094 B11R1.91 CN([13CH3])CCc1cccnc1 269982a_100000763209_200025704644 [0,1,0,0,0,0|2,0,0]=3 3095 B11R1.91 CN([13CH3])CCc1ccncc1 2230a_100000742850_200025704644 [0,1,0,0,0,0|2,0,0]=3 3096 B11R1.91 CN([13CH3])CCc1ccncc1 269982a_100000742850_200025704644 [0,1,0,0,0,0|2,0,0]=3 3097 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [0,1,0,0,0,0|3,0,0]=4 3098 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [0,1,0,0,0,0|3,0,0]=4 3099 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [0,1,0,0,0,0|3,0,0]=4 3100 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [0,1,0,0,0,0|3,0,0]=4 3101 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [0,1,0,0,0,0|3,0,0]=4 3102 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100009817552_100011216584 [0,1,0,0,0,0|2,0,0]=3 3103 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100011216584_100009817552 [0,1,0,0,0,0|2,0,0]=3 3104 B11R1.91 C[C@@H](O)CSc1cccnn1 62a_100009817552_100016991348 [0,1,0,0,0,0|3,0,0]=4 3105 B11R1.91 C[C@@H](O)CSc1cccnn1 62a_100016991348_100009817552 [0,1,0,0,0,0|3,0,0]=4 3106 B11R1.91 C[C@@H](O)CSc1ccncn1 62a_100000703185_100009817552 [0,1,0,0,0,0|3,0,0]=4 3107 B11R1.91 C[C@@H](O)CSc1ccncn1 62a_100009817552_100000703185 [0,1,0,0,0,0|3,0,0]=4 3108 B11R1.91 C[C@@H](O)CSc1cnccn1 62a_100000211759_100009817552 [0,1,0,0,0,0|3,0,0]=4 3109 B11R1.91 C[C@@H](O)CSc1cnccn1 62a_100009817552_100000211759 [0,1,0,0,0,0|3,0,0]=4 3110 B11R1.91 C[C@@H](O)CSc1ncccn1 62a_100000211032_100009817552 [0,1,0,0,0,0|3,0,0]=4 3111 B11R1.91 C[C@@H](O)CSc1ncccn1 62a_100009817552_100000211032 [0,1,0,0,0,0|3,0,0]=4 3112 B11R1.91 FC(F)CSc1ccccn1 62a_100011216584_100011934356 [0,1,0,0,0,0|3,0,0]=4 3113 B11R1.91 FC(F)CSc1ccccn1 62a_100011934356_100011216584 [0,1,0,0,0,0|3,0,0]=4 3114 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [0,1,0,0,0,0|3,0,0]=4 3115 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [0,1,0,0,0,0|3,0,0]=4 3116 B11R1.91 O=C([O-])CSc1ccccn1 62a_100011216584_100020667443 [0,1,0,0,0,0|3,0,0]=4 3117 B11R1.91 O=C([O-])CSc1ccccn1 62a_100020667443_100011216584 [0,1,0,0,0,0|3,0,0]=4 3118 B11R1.91 O=[N+]([O-])CSc1ccccn1 62a_100011216584_100000761209 [0,1,0,0,0,0|2,0,1]=4 3119 B11R1.91 [13CH3]C(=O)C#Cc1ccccn1 1458a_102125277312_200025704644 [0,1,0,0,0,0|1,0,2]=4 3120 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [0,1,0,0,0,0|1,0,2]=4 3121 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,1,0,0,0,0|2,0,0]=3 3122 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,1,0,0,0,0|1,0,0]=2 3123 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,1,0,0,0,0|3,0,0]=4 3124 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [0,1,0,0,0,0|3,0,0]=4 3125 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,1,0,0,0,0|3,0,0]=4 3126 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [0,1,0,0,0,0|2,0,0]=3 3127 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,1,0,0,0,0|3,0,0]=4 3128 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [0,1,0,0,0,0|2,0,0]=3 3129 B9R0.18 C#CCCC(=O)C=CC=C 1458a_100016291481_100000753159 [0,0,1,0,0,0|2,0,1]=4 3130 B9R0.18 C=CC=CC(=O)C/C=C/C 1458a_100016291481_100102629194 [0,0,1,0,0,0|2,0,1]=4 3131 B9R0.18 C=CC=CC(=O)CC#CC 1458a_100016291481_100000748600 [0,0,1,0,0,0|2,0,1]=4 3132 B9R0.18 C=CC=CC(=O)CC=CC 1458a_100016291481_100000070051 [0,0,1,0,0,0|2,0,1]=4 3133 B9R0.18 C=CC=CC(=O)CCC#N 1458a_100016291481_100011215226 [0,0,1,0,0,0|3,0,0]=4 3134 B9R0.18 C=CC=CC(=O)CCC=C 1458a_100016291481_100000754431 [0,0,1,0,0,0|2,0,1]=4 3135 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [0,0,1,0,0,0|2,0,0]=3 3136 B9R0.18 C=CC=CC(=O)CCCF 1458a_100016291481_100011934791 [0,0,1,0,0,0|3,0,0]=4 3137 B9R0.18 C=CC=CC(=O)CCCO 1458a_100016291481_100011215043 [0,0,1,0,0,0|3,0,0]=4 3138 B9R0.18 C=CC=CC(=O)CCOC 1458a_100016291481_100000233755 [0,0,1,0,0,0|2,0,0]=3 3139 B9R0.18 C=CC=CC(=O)CCSC 1458a_100016291481_100000751147 [0,0,1,0,0,0|2,0,0]=3 3140 B9R0.18 C=CC=CC(=O)NCCC 1626a_100020643023_100016291481 [0,0,1,0,0,0|3,0,0]=4 3141 B9R0.18 C=CCNC(=O)CCNC 2230a_106832991635_100011222895 [0,0,1,0,0,0|1,0,2]=4 3142 B9R0.18 C=CCNC(=O)CCNC 7a_106832991635_100011222895 [0,0,1,0,0,0|1,0,2]=4 3143 B11R2.238 c1cc(ncn1)NC2CC2 27a_100000212008_100000703185 [0,0,0,1,0,0|3,0,0]=4 3144 B11R2.238 c1cc(ncn1)SC2CC2 62a_100000703185_100000211595 [0,0,0,1,0,0|3,0,0]=4 3145 B11R2.238 c1ccc(cc1)NC2CC2 34a_100000106764_100000211595 [0,0,0,1,0,0|3,0,0]=4 3146 B11R2.238 c1ccc(cc1)OC2CC2 34a_100000210340_100000211595 [0,0,0,1,0,0|3,0,0]=4 3147 B11R2.238 c1ccc(cc1)SC2CC2 62a_100000719477_100000211595 [0,0,0,1,0,0|3,0,0]=4 3148 B11R2.238 c1ccc(nc1)SC2CC2 62a_100011216584_100000211595 [0,0,0,1,0,0|2,0,0]=3 3149 B11R2.238 c1cnc(cn1)NC2CC2 27a_100000212008_100000211759 [0,0,0,1,0,0|3,0,0]=4 3150 B11R2.238 c1cnc(cn1)SC2CC2 62a_100000211759_100000211595 [0,0,0,1,0,0|3,0,0]=4 3151 B11R2.238 c1cnc(nc1)NC2CC2 27a_100000212008_100000211032 [0,0,0,1,0,0|3,0,0]=4 3152 B11R2.238 c1cnc(nc1)SC2CC2 62a_100000211032_100000211595 [0,0,0,1,0,0|3,0,0]=4 3153 B11R2.238 c1cnnc(c1)NC2CC2 27a_100000212008_100016991348 [0,0,0,1,0,0|3,0,0]=4 3154 B11R2.238 c1cnnc(c1)SC2CC2 62a_100016991348_100000211595 [0,0,0,1,0,0|3,0,0]=4 3155 B11R2.239 c1cc(ncn1)N2CCC2 27a_100000754969_100000703185 [0,0,0,1,0,0|3,0,0]=4 3156 B11R2.239 c1cnc(cn1)N2CCC2 27a_100000754969_100000211759 [0,0,0,1,0,0|3,0,0]=4 3157 B11R2.239 c1cnc(nc1)N2CCC2 27a_100000754969_100000211032 [0,0,0,1,0,0|3,0,0]=4 3158 B11R2.239 c1cnnc(c1)N2CCC2 27a_100000754969_100016991348 [0,0,0,1,0,0|3,0,0]=4 3159 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [0,0,0,1,0,0|1,0,0]=2 3160 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [0,0,0,1,0,0|2,0,0]=3 3161 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [0,0,0,1,0,0|2,0,0]=3 3162 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [0,0,0,1,0,0|2,0,0]=3 3163 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [0,0,0,1,0,0|2,0,0]=3 3164 B9R1.12 CCCCc1c[nH]cn1 271570a_100020621405_100000756875 [0,0,0,0,1,0|2,0,0]=3 3165 B9R1.12 CCCCc1cc[nH]n1 271570a_100020621405_100000062575 [0,0,0,0,1,0|2,0,0]=3 3166 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [0,0,0,0,1,0|2,0,0]=3 3167 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [0,0,0,0,1,0|2,0,0]=3 3168 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [0,0,0,0,1,0|2,0,0]=3 3169 B9R1.12 CCCCc1ccsc1 271570a_100020621405_100000738268 [0,0,0,0,1,0|2,0,0]=3 3170 B9R1.12 CCCCc1ccsn1 271570a_100020621405_100009818082 [0,0,0,0,1,0|2,0,0]=3 3171 B9R1.12 CCCCc1cn[nH]c1 271570a_100020621405_100000238712 [0,0,0,0,1,0|3,0,0]=4 3172 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [0,0,0,0,1,0|3,0,0]=4 3173 B9R1.12 CCCCc1cncs1 271570a_100020621405_100011934649 [0,0,0,0,1,0|3,0,0]=4 3174 B9R1.12 CCCCc1cnoc1 271570a_100020621405_100009815712 [0,0,0,0,1,0|3,0,0]=4 3175 B9R1.12 CCCCc1cnsc1 271570a_100020621405_100009815736 [0,0,0,0,1,0|3,0,0]=4 3176 B9R1.12 CCCCc1cscn1 271570a_100020621405_100000751502 [0,0,0,0,1,0|2,0,0]=3 3177 B9R1.12 CCCCc1nc[nH]n1 271570a_100020621405_100000761765 [0,0,0,0,1,0|3,0,0]=4 3178 B9R1.12 CCCCc1ncc[nH]1 271570a_100020621405_100025796157 [0,0,0,0,1,0|2,0,0]=3 3179 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [0,0,0,0,1,0|2,0,0]=3 3180 B9R1.12 CCCCc1nccs1 271570a_100020621405_100000211983 [0,0,0,0,1,0|2,0,0]=3 3181 B9R1.12 CCCCc1ncns1 271570a_100020621405_100000693119 [0,0,0,0,1,0|3,0,0]=4 3182 B9R1.12 CCCCc1nncs1 271570a_100020621405_100000739804 [0,0,0,0,1,0|3,0,0]=4 3183 B9R1.12 CCCOc1ccsc1 34a_100000106738_100000210303 [0,0,0,0,1,0|3,0,0]=4 3184 B9R1.12 CCCOc1ccsc1 7a_100000106738_100000210303 [0,0,0,0,1,0|3,0,0]=4 3185 B9R1.12 CCCSc1c[nH]cn1 62a_100000210303_100000756875 [0,0,0,0,1,0|3,0,0]=4 3186 B9R1.12 CCCSc1c[nH]cn1 62a_100000756875_100000210303 [0,0,0,0,1,0|3,0,0]=4 3187 B9R1.12 CCCSc1cc[nH]n1 62a_100000062575_100000210303 [0,0,0,0,1,0|3,0,0]=4 3188 B9R1.12 CCCSc1cc[nH]n1 62a_100000210303_100000062575 [0,0,0,0,1,0|3,0,0]=4 3189 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [0,0,0,0,1,0|3,0,0]=4 3190 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [0,0,0,0,1,0|3,0,0]=4 3191 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [0,0,0,0,1,0|3,0,0]=4 3192 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [0,0,0,0,1,0|3,0,0]=4 3193 B9R1.12 CCCSc1ccoc1 62a_100000210303_100011215275 [0,0,0,0,1,0|3,0,0]=4 3194 B9R1.12 CCCSc1ccoc1 62a_100011215275_100000210303 [0,0,0,0,1,0|3,0,0]=4 3195 B9R1.12 CCCSc1ccon1 62a_100000210303_100009818083 [0,0,0,0,1,0|3,0,0]=4 3196 B9R1.12 CCCSc1ccon1 62a_100009818083_100000210303 [0,0,0,0,1,0|3,0,0]=4 3197 B9R1.12 CCCSc1ccsc1 62a_100000210303_100000738268 [0,0,0,0,1,0|3,0,0]=4 3198 B9R1.12 CCCSc1ccsc1 62a_100000738268_100000210303 [0,0,0,0,1,0|3,0,0]=4 3199 B9R1.12 CCCSc1ccsn1 62a_100000210303_100009818082 [0,0,0,0,1,0|3,0,0]=4 3200 B9R1.12 CCCSc1ccsn1 62a_100009818082_100000210303 [0,0,0,0,1,0|3,0,0]=4 3201 B9R1.12 CCCSc1cscn1 62a_100000210303_100000751502 [0,0,0,0,1,0|3,0,0]=4 3202 B9R1.12 CCCSc1cscn1 62a_100000751502_100000210303 [0,0,0,0,1,0|3,0,0]=4 3203 B9R1.12 CCCSc1ncc[nH]1 62a_100000210303_100025796157 [0,0,0,0,1,0|3,0,0]=4 3204 B9R1.12 CCCSc1ncc[nH]1 62a_100025796157_100000210303 [0,0,0,0,1,0|3,0,0]=4 3205 B9R1.12 CCCSc1ncco1 62a_100000210303_100011787736 [0,0,0,0,1,0|3,0,0]=4 3206 B9R1.12 CCCSc1ncco1 62a_100011787736_100000210303 [0,0,0,0,1,0|3,0,0]=4 3207 B9R1.12 CCCSc1nccs1 62a_100000210303_100000211983 [0,0,0,0,1,0|3,0,0]=4 3208 B9R1.12 CCCSc1nccs1 62a_100000211983_100000210303 [0,0,0,0,1,0|3,0,0]=4 3209 B9R1.12 CCNCc1c[nH]cn1 2230a_100015525214_100000707719 [0,0,0,0,1,0|3,0,0]=4 3210 B9R1.12 CCNCc1cc[nH]n1 207a_100015525214_100000738523 [0,0,0,0,1,0|3,0,0]=4 3211 B9R1.12 CCNCc1cc[nH]n1 270004a_100015525214_100000738523 [0,0,0,0,1,0|3,0,0]=4 3212 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [0,0,0,0,1,0|3,0,0]=4 3213 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [0,0,0,0,1,0|3,0,0]=4 3214 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [0,0,0,0,1,0|3,0,0]=4 3215 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [0,0,0,0,1,0|3,0,0]=4 3216 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [0,0,0,0,1,0|3,0,0]=4 3217 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [0,0,0,0,1,0|3,0,0]=4 3218 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [0,0,0,0,1,0|3,0,0]=4 3219 B9R1.12 CCNCc1ccoc1 207a_100015525214_100011215517 [0,0,0,0,1,0|3,0,0]=4 3220 B9R1.12 CCNCc1ccoc1 2230a_100015206860_100000210202 [0,0,0,0,1,0|3,0,0]=4 3221 B9R1.12 CCNCc1ccoc1 270004a_100015525214_100011215517 [0,0,0,0,1,0|3,0,0]=4 3222 B9R1.12 CCNCc1ccoc1 34a_100015206860_100000210202 [0,0,0,0,1,0|3,0,0]=4 3223 B9R1.12 CCNCc1ccon1 2230a_100015525214_100000234950 [0,0,0,0,1,0|3,0,0]=4 3224 B9R1.12 CCNCc1ccsc1 207a_100015525214_100000188534 [0,0,0,0,1,0|3,0,0]=4 3225 B9R1.12 CCNCc1ccsc1 2230a_100000186416_100000210202 [0,0,0,0,1,0|3,0,0]=4 3226 B9R1.12 CCNCc1ccsc1 2230a_100015525214_100011261437 [0,0,0,0,1,0|3,0,0]=4 3227 B9R1.12 CCNCc1ccsc1 270004a_100015525214_100000188534 [0,0,0,0,1,0|3,0,0]=4 3228 B9R1.12 CCNCc1ccsc1 34a_100000186416_100000210202 [0,0,0,0,1,0|3,0,0]=4 3229 B9R1.12 CCNCc1cocn1 270004a_100015525214_100000050382 [0,0,0,0,1,0|3,0,0]=4 3230 B9R1.12 CCNCc1cscn1 207a_100015525214_100000743575 [0,0,0,0,1,0|3,0,0]=4 3231 B9R1.12 CCNCc1cscn1 2230a_100015185402_100000210202 [0,0,0,0,1,0|3,0,0]=4 3232 B9R1.12 CCNCc1cscn1 2230a_100015525214_100000205941 [0,0,0,0,1,0|3,0,0]=4 3233 B9R1.12 CCNCc1cscn1 270004a_100015525214_100000743575 [0,0,0,0,1,0|3,0,0]=4 3234 B9R1.12 CCNCc1ncc[nH]1 207a_100015525214_100000743867 [0,0,0,0,1,0|3,0,0]=4 3235 B9R1.12 CCNCc1ncc[nH]1 2230a_100015525214_100016991755 [0,0,0,0,1,0|3,0,0]=4 3236 B9R1.12 CCNCc1ncco1 2230a_100015525214_103436540062 [0,0,0,0,1,0|3,0,0]=4 3237 B9R1.12 CCNCc1ncco1 2230a_100016994969_100000210202 [0,0,0,0,1,0|3,0,0]=4 3238 B9R1.12 CCNCc1ncco1 270004a_100015525214_100000064290 [0,0,0,0,1,0|3,0,0]=4 3239 B9R1.12 CCNCc1nccs1 207a_100015525214_100000750902 [0,0,0,0,1,0|3,0,0]=4 3240 B9R1.12 CCNCc1nccs1 2230a_100000740555_100000210202 [0,0,0,0,1,0|3,0,0]=4 3241 B9R1.12 CCNCc1nccs1 2230a_100015525214_100015184050 [0,0,0,0,1,0|3,0,0]=4 3242 B9R1.12 CCNCc1nccs1 270004a_100015525214_100000750902 [0,0,0,0,1,0|3,0,0]=4 3243 B9R1.12 CCOCc1c[nH]cn1 34a_100121572206_100000707719 [0,0,0,0,1,0|3,0,0]=4 3244 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [0,0,0,0,1,0|3,0,0]=4 3245 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [0,0,0,0,1,0|3,0,0]=4 3246 B9R1.12 CCOCc1ccoc1 34a_100011215357_100000210202 [0,0,0,0,1,0|3,0,0]=4 3247 B9R1.12 CCOCc1ccon1 34a_100121572206_100000234950 [0,0,0,0,1,0|3,0,0]=4 3248 B9R1.12 CCOCc1ccsc1 34a_100011215551_100000210202 [0,0,0,0,1,0|3,0,0]=4 3249 B9R1.12 CCOCc1ccsc1 34a_100121572206_100011261437 [0,0,0,0,1,0|3,0,0]=4 3250 B9R1.12 CCOCc1cscn1 34a_100121572206_100000205941 [0,0,0,0,1,0|3,0,0]=4 3251 B9R1.12 CCOCc1ncc[nH]1 34a_100121572206_100016991755 [0,0,0,0,1,0|3,0,0]=4 3252 B9R1.12 CCOCc1ncco1 34a_100000062594_100000210202 [0,0,0,0,1,0|3,0,0]=4 3253 B9R1.12 CCOCc1ncco1 34a_100121572206_103436540062 [0,0,0,0,1,0|3,0,0]=4 3254 B9R1.12 CCOCc1nccs1 34a_100121572206_100015184050 [0,0,0,0,1,0|3,0,0]=4 3255 B9R1.12 CCOCn1cccn1 34a_100000731028_100000210202 [0,0,0,0,1,0|3,0,0]=4 3256 B9R1.12 CCSCc1c[nH]cn1 62a_100000210202_100000707719 [0,0,0,0,1,0|3,0,0]=4 3257 B9R1.12 CCSCc1c[nH]cn1 62a_100000707719_100000210202 [0,0,0,0,1,0|3,0,0]=4 3258 B9R1.12 CCSCc1ccon1 62a_100000210202_100000234950 [0,0,0,0,1,0|3,0,0]=4 3259 B9R1.12 CCSCc1ccon1 62a_100000234950_100000210202 [0,0,0,0,1,0|3,0,0]=4 3260 B9R1.12 CCSCc1ccsc1 62a_100000210202_100011233845 [0,0,0,0,1,0|3,0,0]=4 3261 B9R1.12 CCSCc1ccsc1 62a_100011261437_100000210202 [0,0,0,0,1,0|3,0,0]=4 3262 B9R1.12 CCSCc1cscn1 62a_100000205941_100000210202 [0,0,0,0,1,0|3,0,0]=4 3263 B9R1.12 CCSCc1cscn1 62a_100000210202_100000205941 [0,0,0,0,1,0|3,0,0]=4 3264 B9R1.12 CCSCc1ncc[nH]1 62a_100000210202_100016991755 [0,0,0,0,1,0|3,0,0]=4 3265 B9R1.12 CCSCc1ncc[nH]1 62a_100016991755_100000210202 [0,0,0,0,1,0|3,0,0]=4 3266 B9R1.12 CCSCc1ncco1 62a_100000210202_103436540062 [0,0,0,0,1,0|3,0,0]=4 3267 B9R1.12 CCSCc1ncco1 62a_103436540062_100000210202 [0,0,0,0,1,0|3,0,0]=4 3268 B9R1.12 CCSCc1nccs1 62a_100000210202_100015184050 [0,0,0,0,1,0|3,0,0]=4 3269 B9R1.12 CCSCc1nccs1 62a_100015184050_100000210202 [0,0,0,0,1,0|3,0,0]=4 3270 B9R1.12 CNCCc1c[nH]cn1 2230a_106832991635_100020628418 [0,0,0,0,1,0|1,0,0]=2 3271 B9R1.12 CNCCc1c[nH]cn1 7a_106832991635_100020628418 [0,0,0,0,1,0|1,0,0]=2 3272 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [0,0,0,0,1,0|1,0,0]=2 3273 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [0,0,0,0,1,0|1,0,0]=2 3274 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [0,0,0,0,1,0|1,0,0]=2 3275 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [0,0,0,0,1,0|1,0,0]=2 3276 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [0,0,0,0,1,0|1,0,0]=2 3277 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [0,0,0,0,1,0|1,0,0]=2 3278 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [0,0,0,0,1,0|1,0,0]=2 3279 B9R1.12 CNCCc1ccsc1 2230a_100000692642_200000210301 [0,0,0,0,1,0|1,0,0]=2 3280 B9R1.12 CNCCc1ccsc1 34a_100000692642_200000210301 [0,0,0,0,1,0|1,0,0]=2 3281 B9R1.12 CNCCc1cn[nH]c1 2230a_100000732747_200000210301 [0,0,0,0,1,0|2,0,0]=3 3282 B9R1.12 CNCCc1cn[nH]c1 2230a_106832991635_100000743252 [0,0,0,0,1,0|2,0,0]=3 3283 B9R1.12 CNCCc1cn[nH]c1 7a_106832991635_100000743252 [0,0,0,0,1,0|2,0,0]=3 3284 B9R1.12 CNCCc1cncs1 2230a_100016991637_200000210301 [0,0,0,0,1,0|2,0,0]=3 3285 B9R1.12 CNCCc1nccs1 2230a_100015186391_200000210301 [0,0,0,0,1,0|1,0,0]=2 3286 B9R1.12 CNCCc1nnn[nH]1 7a_106832991635_100000031946 [0,0,0,0,1,0|3,0,0]=4 3287 B9R1.12 CNCCn1cccc1 2230a_106832991635_200009811947 [0,0,0,0,1,0|1,0,0]=2 3288 B9R1.12 CNCCn1cccc1 34a_100011368172_200000210301 [0,0,0,0,1,0|1,0,0]=2 3289 B9R1.12 CNCCn1cccc1 7a_106832991635_200000035178 [0,0,0,0,1,0|1,0,0]=2 3290 B9R1.12 CNCCn1cccn1 2230a_100011200920_200000210301 [0,0,0,0,1,0|1,0,0]=2 3291 B9R1.12 CNCCn1cccn1 2230a_106832991635_100000685285 [0,0,0,0,1,0|1,0,0]=2 3292 B9R1.12 CNCCn1cccn1 34a_100102657272_100015204718 [0,0,0,0,1,0|1,0,0]=2 3293 B9R1.12 CNCCn1cccn1 7a_106832991635_100000685285 [0,0,0,0,1,0|1,0,0]=2 3294 B9R1.12 CNCCn1ccnc1 7a_106832991635_100000702546 [0,0,0,0,1,0|2,0,0]=3 3295 B9R1.12 CNCCn1cncn1 2230a_106832991635_100000731791 [0,0,0,0,1,0|2,0,0]=3 3296 B9R1.12 CNCCn1cncn1 2230a_200000738561_200000210301 [0,0,0,0,1,0|2,0,0]=3 3297 B9R1.12 CNCCn1cncn1 34a_100102657272_200000749826 [0,0,0,0,1,0|2,0,0]=3 3298 B9R1.12 CNCCn1cncn1 7a_106832991635_100000731791 [0,0,0,0,1,0|2,0,0]=3 3299 B9R1.12 COCC[n+]1ccsc1 34a_200000100414_200000210301 [0,0,0,0,1,0|3,0,0]=4 3300 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [0,0,0,0,1,0|2,0,0]=3 3301 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [0,0,0,0,1,0|2,0,0]=3 3302 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [0,0,0,0,1,0|2,0,0]=3 3303 B9R1.12 COCCc1ccsc1 34a_100000748821_200000210301 [0,0,0,0,1,0|2,0,0]=3 3304 B9R1.12 COCCc1cn[nH]c1 34a_100000766553_200000210301 [0,0,0,0,1,0|3,0,0]=4 3305 B9R1.12 COCCc1cnoc1 34a_100000732699_200000210301 [0,0,0,0,1,0|3,0,0]=4 3306 B9R1.12 COCCc1ncc[nH]1 34a_103549771195_200000210301 [0,0,0,0,1,0|2,0,0]=3 3307 B9R1.12 COCCn1cccc1 34a_100000179382_200000210301 [0,0,0,0,1,0|2,0,0]=3 3308 B9R1.12 COCCn1cccn1 34a_100000743371_200000210301 [0,0,0,0,1,0|2,0,0]=3 3309 B9R1.12 COCCn1cccn1 34a_100138415774_100015204718 [0,0,0,0,1,0|2,0,0]=3 3310 B9R1.12 COCCn1ccnc1 34a_100000719764_200000210301 [0,0,0,0,1,0|3,0,0]=4 3311 B9R1.12 COCCn1ccnn1 34a_100000080814_200000210301 [0,0,0,0,1,0|3,0,0]=4 3312 B9R1.12 COCCn1cncn1 34a_100000745309_200000210301 [0,0,0,0,1,0|3,0,0]=4 3313 B9R1.12 COCCn1cncn1 34a_100138415774_200000749826 [0,0,0,0,1,0|3,0,0]=4 3314 B9R1.12 COCSc1c[nH]cn1 62a_100000756875_100000766300 [0,0,0,0,1,0|3,0,0]=4 3315 B9R1.12 COCSc1c[nH]cn1 62a_100000766300_100000756875 [0,0,0,0,1,0|3,0,0]=4 3316 B9R1.12 COCSc1cc[nH]n1 62a_100000062575_100000766300 [0,0,0,0,1,0|3,0,0]=4 3317 B9R1.12 COCSc1cc[nH]n1 62a_100000766300_100000062575 [0,0,0,0,1,0|3,0,0]=4 3318 B9R1.12 COCSc1ccco1 62a_100000766300_100009814098 [0,0,0,0,1,0|3,0,0]=4 3319 B9R1.12 COCSc1ccco1 62a_100009814098_100000766300 [0,0,0,0,1,0|3,0,0]=4 3320 B9R1.12 COCSc1cccs1 62a_100000766300_100011215356 [0,0,0,0,1,0|3,0,0]=4 3321 B9R1.12 COCSc1cccs1 62a_100011215356_100000766300 [0,0,0,0,1,0|3,0,0]=4 3322 B9R1.12 COCSc1ccoc1 62a_100000766300_100011215275 [0,0,0,0,1,0|3,0,0]=4 3323 B9R1.12 COCSc1ccoc1 62a_100011215275_100000766300 [0,0,0,0,1,0|3,0,0]=4 3324 B9R1.12 COCSc1ccon1 62a_100000766300_100009818083 [0,0,0,0,1,0|3,0,0]=4 3325 B9R1.12 COCSc1ccon1 62a_100009818083_100000766300 [0,0,0,0,1,0|3,0,0]=4 3326 B9R1.12 COCSc1ccsc1 62a_100000738268_100000766300 [0,0,0,0,1,0|3,0,0]=4 3327 B9R1.12 COCSc1ccsc1 62a_100000766300_100000738268 [0,0,0,0,1,0|3,0,0]=4 3328 B9R1.12 COCSc1ccsn1 62a_100000766300_100009818082 [0,0,0,0,1,0|3,0,0]=4 3329 B9R1.12 COCSc1ccsn1 62a_100009818082_100000766300 [0,0,0,0,1,0|3,0,0]=4 3330 B9R1.12 COCSc1cscn1 62a_100000751502_100000766300 [0,0,0,0,1,0|3,0,0]=4 3331 B9R1.12 COCSc1cscn1 62a_100000766300_100000751502 [0,0,0,0,1,0|3,0,0]=4 3332 B9R1.12 COCSc1ncc[nH]1 62a_100000766300_100025796157 [0,0,0,0,1,0|3,0,0]=4 3333 B9R1.12 COCSc1ncc[nH]1 62a_100025796157_100000766300 [0,0,0,0,1,0|3,0,0]=4 3334 B9R1.12 COCSc1ncco1 62a_100000766300_100011787736 [0,0,0,0,1,0|3,0,0]=4 3335 B9R1.12 COCSc1ncco1 62a_100011787736_100000766300 [0,0,0,0,1,0|3,0,0]=4 3336 B9R1.12 COCSc1nccs1 62a_100000211983_100000766300 [0,0,0,0,1,0|3,0,0]=4 3337 B9R1.12 COCSc1nccs1 62a_100000766300_100000211983 [0,0,0,0,1,0|3,0,0]=4 3338 B9R1.12 CSCCc1c[nH]cn1 62a_100020628418_200000210301 [0,0,0,0,1,0|2,0,0]=3 3339 B9R1.12 CSCCc1c[nH]cn1 62a_200000210301_100020628418 [0,0,0,0,1,0|2,0,0]=3 3340 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [0,0,0,0,1,0|2,0,0]=3 3341 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [0,0,0,0,1,0|2,0,0]=3 3342 B9R1.12 CSCCc1cn[nH]c1 62a_100000743252_200000210301 [0,0,0,0,1,0|3,0,0]=4 3343 B9R1.12 CSCCc1cn[nH]c1 62a_200000210301_100000743252 [0,0,0,0,1,0|3,0,0]=4 3344 B9R1.12 CSCCn1cccc1 62a_200000210301_200000035178 [0,0,0,0,1,0|2,0,0]=3 3345 B9R1.12 CSCCn1cccc1 62a_200009811947_200000210301 [0,0,0,0,1,0|2,0,0]=3 3346 B9R1.12 CSCCn1cccn1 62a_100015204718_200000210301 [0,0,0,0,1,0|2,0,0]=3 3347 B9R1.12 CSCCn1cccn1 62a_200000210301_100000685285 [0,0,0,0,1,0|2,0,0]=3 3348 B9R1.12 CSCCn1ccnc1 62a_100000702546_200000210301 [0,0,0,0,1,0|3,0,0]=4 3349 B9R1.12 CSCCn1ccnc1 62a_200000210301_100000702546 [0,0,0,0,1,0|3,0,0]=4 3350 B9R1.12 CSCCn1cncn1 62a_100000731791_200000210301 [0,0,0,0,1,0|3,0,0]=4 3351 B9R1.12 CSCCn1cncn1 62a_200000210301_100000731791 [0,0,0,0,1,0|3,0,0]=4 3352 B9R1.12 CSCOc1ccsc1 34a_100000106738_100011218213 [0,0,0,0,1,0|3,0,0]=4 3353 B9R1.12 CSCSc1c[nH]cn1 62a_100000756875_100011218213 [0,0,0,0,1,0|3,0,0]=4 3354 B9R1.12 CSCSc1c[nH]cn1 62a_100011218213_100000756875 [0,0,0,0,1,0|3,0,0]=4 3355 B9R1.12 CSCSc1cc[nH]n1 62a_100000062575_100011218213 [0,0,0,0,1,0|3,0,0]=4 3356 B9R1.12 CSCSc1cc[nH]n1 62a_100011218213_100000062575 [0,0,0,0,1,0|3,0,0]=4 3357 B9R1.12 CSCSc1ccco1 62a_100009814098_100011218213 [0,0,0,0,1,0|3,0,0]=4 3358 B9R1.12 CSCSc1ccco1 62a_100011218213_100009814098 [0,0,0,0,1,0|3,0,0]=4 3359 B9R1.12 CSCSc1cccs1 62a_100011215356_100011218213 [0,0,0,0,1,0|3,0,0]=4 3360 B9R1.12 CSCSc1cccs1 62a_100011218213_100011215356 [0,0,0,0,1,0|3,0,0]=4 3361 B9R1.12 CSCSc1ccoc1 62a_100011215275_100011218213 [0,0,0,0,1,0|3,0,0]=4 3362 B9R1.12 CSCSc1ccoc1 62a_100011218213_100011215275 [0,0,0,0,1,0|3,0,0]=4 3363 B9R1.12 CSCSc1ccon1 62a_100009818083_100011218213 [0,0,0,0,1,0|3,0,0]=4 3364 B9R1.12 CSCSc1ccon1 62a_100011218213_100009818083 [0,0,0,0,1,0|3,0,0]=4 3365 B9R1.12 CSCSc1ccsc1 62a_100000738268_100011218213 [0,0,0,0,1,0|3,0,0]=4 3366 B9R1.12 CSCSc1ccsc1 62a_100011218213_100000738268 [0,0,0,0,1,0|3,0,0]=4 3367 B9R1.12 CSCSc1ccsn1 62a_100009818082_100011218213 [0,0,0,0,1,0|3,0,0]=4 3368 B9R1.12 CSCSc1ccsn1 62a_100011218213_100009818082 [0,0,0,0,1,0|3,0,0]=4 3369 B9R1.12 CSCSc1cscn1 62a_100000751502_100011218213 [0,0,0,0,1,0|3,0,0]=4 3370 B9R1.12 CSCSc1cscn1 62a_100011218213_100000751502 [0,0,0,0,1,0|3,0,0]=4 3371 B9R1.12 CSCSc1ncc[nH]1 62a_100011218213_100025796157 [0,0,0,0,1,0|3,0,0]=4 3372 B9R1.12 CSCSc1ncc[nH]1 62a_100025796157_100011218213 [0,0,0,0,1,0|3,0,0]=4 3373 B9R1.12 CSCSc1ncco1 62a_100011218213_100011787736 [0,0,0,0,1,0|3,0,0]=4 3374 B9R1.12 CSCSc1ncco1 62a_100011787736_100011218213 [0,0,0,0,1,0|3,0,0]=4 3375 B9R1.12 CSCSc1nccs1 62a_100000211983_100011218213 [0,0,0,0,1,0|3,0,0]=4 3376 B9R1.12 CSCSc1nccs1 62a_100011218213_100000211983 [0,0,0,0,1,0|3,0,0]=4 3377 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [0,0,0,0,1,0|1,0,0]=2 3378 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [0,0,0,0,1,0|1,0,0]=2 3379 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [0,0,0,0,1,0|1,0,0]=2 3380 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [0,0,0,0,1,0|1,0,0]=2 3381 B9R1.12 [13CH3]NCCc1ccsc1 2230a_100000692642_200025704644 [0,0,0,0,1,0|1,0,0]=2 3382 B9R1.12 [13CH3]NCCc1ccsc1 34a_100000692642_200025704644 [0,0,0,0,1,0|1,0,0]=2 3383 B9R1.12 [13CH3]NCCc1cn[nH]c1 2230a_100000732747_200025704644 [0,0,0,0,1,0|2,0,0]=3 3384 B9R1.12 [13CH3]NCCc1cncs1 2230a_100016991637_200025704644 [0,0,0,0,1,0|2,0,0]=3 3385 B9R1.12 [13CH3]NCCc1nccs1 2230a_100015186391_200025704644 [0,0,0,0,1,0|1,0,0]=2 3386 B9R1.12 [13CH3]NCCn1cccc1 34a_100011368172_200025704644 [0,0,0,0,1,0|1,0,0]=2 3387 B9R1.12 [13CH3]NCCn1cccn1 2230a_100011200920_200025704644 [0,0,0,0,1,0|1,0,0]=2 3388 B9R1.12 [13CH3]NCCn1cncn1 2230a_200000738561_200025704644 [0,0,0,0,1,0|2,0,0]=3 3389 B9R1.12 [13CH3]OCC[n+]1ccsc1 34a_200000100414_200025704644 [0,0,0,0,1,0|3,0,0]=4 3390 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [0,0,0,0,1,0|2,0,0]=3 3391 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [0,0,0,0,1,0|2,0,0]=3 3392 B9R1.12 [13CH3]OCCc1ccsc1 34a_100000748821_200025704644 [0,0,0,0,1,0|2,0,0]=3 3393 B9R1.12 [13CH3]OCCc1cn[nH]c1 34a_100000766553_200025704644 [0,0,0,0,1,0|3,0,0]=4 3394 B9R1.12 [13CH3]OCCc1cnoc1 34a_100000732699_200025704644 [0,0,0,0,1,0|3,0,0]=4 3395 B9R1.12 [13CH3]OCCc1ncc[nH]1 34a_103549771195_200025704644 [0,0,0,0,1,0|2,0,0]=3 3396 B9R1.12 [13CH3]OCCn1cccc1 34a_100000179382_200025704644 [0,0,0,0,1,0|2,0,0]=3 3397 B9R1.12 [13CH3]OCCn1cccn1 34a_100000743371_200025704644 [0,0,0,0,1,0|2,0,0]=3 3398 B9R1.12 [13CH3]OCCn1ccnc1 34a_100000719764_200025704644 [0,0,0,0,1,0|3,0,0]=4 3399 B9R1.12 [13CH3]OCCn1ccnn1 34a_100000080814_200025704644 [0,0,0,0,1,0|3,0,0]=4 3400 B9R1.12 [13CH3]OCCn1cncn1 34a_100000745309_200025704644 [0,0,0,0,1,0|3,0,0]=4 3401 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_100020628418_200025704644 [0,0,0,0,1,0|2,0,0]=3 3402 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_200025704644_100020628418 [0,0,0,0,1,0|2,0,0]=3 3403 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [0,0,0,0,1,0|2,0,0]=3 3404 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [0,0,0,0,1,0|2,0,0]=3 3405 B9R1.12 [13CH3]SCCc1cn[nH]c1 62a_100000743252_200025704644 [0,0,0,0,1,0|3,0,0]=4 3406 B9R1.12 [13CH3]SCCc1cn[nH]c1 62a_200025704644_100000743252 [0,0,0,0,1,0|3,0,0]=4 3407 B9R1.12 [13CH3]SCCn1cccc1 62a_200009811947_200025704644 [0,0,0,0,1,0|2,0,0]=3 3408 B9R1.12 [13CH3]SCCn1cccc1 62a_200025704644_200000035178 [0,0,0,0,1,0|2,0,0]=3 3409 B9R1.12 [13CH3]SCCn1cccn1 62a_100015204718_200025704644 [0,0,0,0,1,0|2,0,0]=3 3410 B9R1.12 [13CH3]SCCn1cccn1 62a_200025704644_100000685285 [0,0,0,0,1,0|2,0,0]=3 3411 B9R1.12 [13CH3]SCCn1ccnc1 62a_100000702546_200025704644 [0,0,0,0,1,0|3,0,0]=4 3412 B9R1.12 [13CH3]SCCn1ccnc1 62a_200025704644_100000702546 [0,0,0,0,1,0|3,0,0]=4 3413 B9R1.12 [13CH3]SCCn1cncn1 62a_100000731791_200025704644 [0,0,0,0,1,0|3,0,0]=4 3414 B9R1.12 [13CH3]SCCn1cncn1 62a_200025704644_100000731791 [0,0,0,0,1,0|3,0,0]=4 3415 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [1,0,1,0,0,0|1,0,0]=3 3416 B8R0.1 C=CC=CC(=O)CCF 1458a_100016291481_100011217306 [1,0,1,0,0,0|2,0,0]=4 3417 B8R0.1 C=CC=CC(=O)CCO 1458a_100016291481_100000211926 [1,0,1,0,0,0|2,0,0]=4 3418 B8R0.1 C=CC=CC(=O)NNC 22a_100016993582_100016291481 [1,0,1,0,0,0|2,0,0]=4 3419 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [2,0,0,0,0,0|0,0,2]=4 3420 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|1,0,0]=3 3421 B8R1.2 CNc1cccnn1 27a_100102657272_100016991348 [2,0,0,0,0,0|1,0,0]=3 3422 B8R1.2 CNc1ccncn1 27a_100102657272_100000703185 [2,0,0,0,0,0|1,0,0]=3 3423 B8R1.2 CNc1cnccn1 27a_100102657272_100000211759 [2,0,0,0,0,0|1,0,0]=3 3424 B8R1.2 CNc1ncccn1 27a_100102657272_100000211032 [2,0,0,0,0,0|1,0,0]=3 3425 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|2,0,0]=4 3426 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|2,0,0]=4 3427 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|2,0,0]=4 3428 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|2,0,0]=4 3429 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [2,0,0,0,0,0|1,0,0]=3 3430 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [2,0,0,0,0,0|1,0,0]=3 3431 B8R1.2 CSc1cccnn1 62a_100016991348_200000210301 [2,0,0,0,0,0|2,0,0]=4 3432 B8R1.2 CSc1cccnn1 62a_200000210301_100016991348 [2,0,0,0,0,0|2,0,0]=4 3433 B8R1.2 CSc1ccncn1 62a_100000703185_200000210301 [2,0,0,0,0,0|2,0,0]=4 3434 B8R1.2 CSc1ccncn1 62a_200000210301_100000703185 [2,0,0,0,0,0|2,0,0]=4 3435 B8R1.2 CSc1cnccn1 62a_100000211759_200000210301 [2,0,0,0,0,0|2,0,0]=4 3436 B8R1.2 CSc1cnccn1 62a_200000210301_100000211759 [2,0,0,0,0,0|2,0,0]=4 3437 B8R1.2 CSc1ncccn1 62a_100000211032_200000210301 [2,0,0,0,0,0|2,0,0]=4 3438 B8R1.2 CSc1ncccn1 62a_200000210301_100000211032 [2,0,0,0,0,0|2,0,0]=4 3439 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|1,0,0]=3 3440 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|2,0,0]=4 3441 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|2,0,0]=4 3442 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|2,0,0]=4 3443 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|2,0,0]=4 3444 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [2,0,0,0,0,0|1,0,0]=3 3445 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [2,0,0,0,0,0|1,0,0]=3 3446 B8R1.2 [13CH3]Sc1cccnn1 62a_100016991348_200025704644 [2,0,0,0,0,0|2,0,0]=4 3447 B8R1.2 [13CH3]Sc1cccnn1 62a_200025704644_100016991348 [2,0,0,0,0,0|2,0,0]=4 3448 B8R1.2 [13CH3]Sc1ccncn1 62a_100000703185_200025704644 [2,0,0,0,0,0|2,0,0]=4 3449 B8R1.2 [13CH3]Sc1ccncn1 62a_200025704644_100000703185 [2,0,0,0,0,0|2,0,0]=4 3450 B8R1.2 [13CH3]Sc1cnccn1 62a_100000211759_200025704644 [2,0,0,0,0,0|2,0,0]=4 3451 B8R1.2 [13CH3]Sc1cnccn1 62a_200025704644_100000211759 [2,0,0,0,0,0|2,0,0]=4 3452 B8R1.2 [13CH3]Sc1ncccn1 62a_100000211032_200025704644 [2,0,0,0,0,0|2,0,0]=4 3453 B8R1.2 [13CH3]Sc1ncccn1 62a_200025704644_100000211032 [2,0,0,0,0,0|2,0,0]=4 3454 B10R0.18 C=CC=CC(=O)CC(=O)NC 1458a_100016291481_100000183359 [0,1,1,0,0,0|1,0,1]=4 3455 B10R0.18 C=CC=CC(=O)CC(C)CC 1458a_100016291481_100000748023 [0,1,1,0,0,0|2,0,0]=4 3456 B10R0.18 C=CC=CC(=O)CC(O)CC 1458a_100016291481_100011218378 [0,1,1,0,0,0|2,0,0]=4 3457 B10R0.18 C=CC=CC(=O)C[C@@H](C)CC 1458a_100016291481_100009816398 [0,1,1,0,0,0|2,0,0]=4 3458 B10R0.19 C=CC=CC(=O)C(C)CCC 1458a_100016291481_100000766640 [0,1,1,0,0,0|2,0,0]=4 3459 B10R0.19 C=CC=CC(=O)C(C)COC 1458a_100016291481_100000765312 [0,1,1,0,0,0|2,0,0]=4 3460 B10R0.78 C=CC=CC(=O)CCC(=C)C 1458a_100016291481_100000730704 [0,1,1,0,0,0|2,0,0]=4 3461 B10R0.78 C=CC=CC(=O)CCC(C)C 1458a_100016291481_100000210312 [0,1,1,0,0,0|2,0,0]=4 3462 B10R0.78 C=CC=CC(=O)CCC(C)O 1458a_100016291481_100012276601 [0,1,1,0,0,0|2,0,0]=4 3463 B10R0.91 C/C=C/C=CC(=O)CCCC 1458a_100000185730_100000210211 [0,1,1,0,0,0|2,0,0]=4 3464 B10R0.91 C/C=C/C=CC(=O)CCOC 1458a_100000185730_100000233755 [0,1,1,0,0,0|2,0,0]=4 3465 B10R0.91 C/C=C/C=CC(=O)CCSC 1458a_100000185730_100000751147 [0,1,1,0,0,0|2,0,0]=4 3466 B10R0.91 C=CC=CC(=O)CCCCC 1458a_100016291481_100000210326 [0,1,1,0,0,0|2,0,0]=4 3467 B10R0.91 C=CC=CC(=O)CCCCF 1458a_100016291481_100000729493 [0,1,1,0,0,0|2,0,0]=4 3468 B10R0.91 C=CC=CC(=O)CCCCO 1458a_100016291481_100000210776 [0,1,1,0,0,0|2,0,0]=4 3469 B10R0.91 C=CC=CC(=O)CCCOC 1458a_100016291481_100000740836 [0,1,1,0,0,0|2,0,0]=4 3470 B10R0.91 C=CC=CC(=O)CCOCC 1458a_100016291481_100011215890 [0,1,1,0,0,0|2,0,0]=4 3471 B10R0.91 C=CC=CC(=O)CCSCC 1458a_100016291481_100000757381 [0,1,1,0,0,0|2,0,0]=4 3472 B10R0.91 C=CC=CC(=O)NCCCC 1626a_100000102301_100016291481 [0,1,1,0,0,0|2,0,0]=4 3473 B10R0.91 C=CC=CC(=O)NCCOC 1626a_100000209980_100016291481 [0,1,1,0,0,0|2,0,0]=4 3474 B10R0.91 C=CC=CC(=O)NCCSC 1626a_100020590264_100016291481 [0,1,1,0,0,0|2,0,0]=4 3475 B10R1.1 CC=Cc1ccc(cn1)Br 271570a_100016259895_100000686858 [1,1,0,0,0,0|0,0,2]=4 3476 B10R1.1 CC=Cc1ccc(cn1)C 271570a_100016259895_100000754016 [1,1,0,0,0,0|0,0,2]=4 3477 B10R1.1 CC=Cc1ccc(cn1)Cl 271570a_100016259895_100011356976 [1,1,0,0,0,0|0,0,2]=4 3478 B10R1.1 CC=Cc1ccc(cn1)F 271570a_100016259895_100000744514 [1,1,0,0,0,0|0,0,2]=4 3479 B10R1.1 CC=Cc1ccc(cn1)N 271570a_100016259895_100000744251 [1,1,0,0,0,0|0,0,2]=4 3480 B10R1.1 CC=Cc1ccc(cn1)O 271570a_100016259895_100000685995 [1,1,0,0,0,0|0,0,2]=4 3481 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [1,1,0,0,0,0|1,0,0]=3 3482 B10R1.1 CCNc1ccc(cc1)Br 2230a_100000210018_100000210202 [1,1,0,0,0,0|2,0,0]=4 3483 B10R1.1 CCNc1ccc(cc1)Br 34a_100000210018_100000210202 [1,1,0,0,0,0|2,0,0]=4 3484 B10R1.1 CCNc1ccc(cc1)C 34a_100000124888_100000210202 [1,1,0,0,0,0|2,0,0]=4 3485 B10R1.1 CCNc1ccc(cc1)Cl 2230a_100000210052_100000210202 [1,1,0,0,0,0|2,0,0]=4 3486 B10R1.1 CCNc1ccc(cc1)Cl 34a_100000210052_100000210202 [1,1,0,0,0,0|2,0,0]=4 3487 B10R1.1 CCNc1ccc(cc1)F 34a_100000185862_100000210202 [1,1,0,0,0,0|2,0,0]=4 3488 B10R1.1 CCNc1ccc(cc1)I 34a_100000185761_100000210202 [1,1,0,0,0,0|2,0,0]=4 3489 B10R1.1 CCNc1ccc(cc1)O 271570a_203496583355_100000219632 [1,1,0,0,0,0|2,0,0]=4 3490 B10R1.1 CCNc1ccc(cc1)O 34a_100000185829_100000210202 [1,1,0,0,0,0|2,0,0]=4 3491 B10R1.1 CCNc1ccc(cn1)Br 27a_100015525214_100000686858 [1,1,0,0,0,0|1,0,0]=3 3492 B10R1.1 CCNc1ccc(cn1)O 271570a_203496583355_100000741496 [1,1,0,0,0,0|1,0,0]=3 3493 B10R1.1 CCNc1ccc(nn1)C 27a_100015525214_100000744512 [1,1,0,0,0,0|2,0,0]=4 3494 B10R1.1 CCNc1ccc(nn1)O 271570a_203496583355_100000215268 [1,1,0,0,0,0|2,0,0]=4 3495 B10R1.1 CCNc1cnc(cn1)Br 27a_100015525214_100010187541 [1,1,0,0,0,0|2,0,0]=4 3496 B10R1.1 CCNc1cnc(cn1)C 27a_100015525214_100000074397 [1,1,0,0,0,0|2,0,0]=4 3497 B10R1.1 CCNc1cnc(cn1)F 27a_100015525214_100009856528 [1,1,0,0,0,0|2,0,0]=4 3498 B10R1.1 CCNc1ncc(cn1)Br 27a_100015525214_100000690281 [1,1,0,0,0,0|2,0,0]=4 3499 B10R1.1 CCNc1ncc(cn1)C 27a_100015525214_100000061069 [1,1,0,0,0,0|2,0,0]=4 3500 B10R1.1 CCNc1ncc(cn1)Cl 27a_100015525214_100011356929 [1,1,0,0,0,0|2,0,0]=4 3501 B10R1.1 CCNc1ncc(cn1)F 27a_100015525214_100000685220 [1,1,0,0,0,0|2,0,0]=4 3502 B10R1.1 CCOc1ccc(cc1)Br 34a_100000185759_100000210202 [1,1,0,0,0,0|2,0,0]=4 3503 B10R1.1 CCOc1ccc(cc1)Br 7a_100000185759_100000210202 [1,1,0,0,0,0|2,0,0]=4 3504 B10R1.1 CCOc1ccc(cc1)C 34a_100000210336_100000210202 [1,1,0,0,0,0|2,0,0]=4 3505 B10R1.1 CCOc1ccc(cc1)C 7a_100000210336_100000210202 [1,1,0,0,0,0|2,0,0]=4 3506 B10R1.1 CCOc1ccc(cc1)Cl 34a_100000210216_100000210202 [1,1,0,0,0,0|2,0,0]=4 3507 B10R1.1 CCOc1ccc(cc1)Cl 7a_100000210216_100000210202 [1,1,0,0,0,0|2,0,0]=4 3508 B10R1.1 CCOc1ccc(cc1)F 34a_100000210339_100000210202 [1,1,0,0,0,0|2,0,0]=4 3509 B10R1.1 CCOc1ccc(cc1)I 34a_100000212066_100000210202 [1,1,0,0,0,0|2,0,0]=4 3510 B10R1.1 CCOc1ccc(cc1)I 7a_100000212066_100000210202 [1,1,0,0,0,0|2,0,0]=4 3511 B10R1.1 CCOc1ccc(cc1)N 34a_100000185829_100000210202 [1,1,0,0,0,0|2,0,0]=4 3512 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [1,1,0,0,0,0|2,0,0]=4 3513 B10R1.1 CCOc1ccc(cn1)C 34a_100000759353_100000210202 [1,1,0,0,0,0|1,0,0]=3 3514 B10R1.1 CCOc1ccc(cn1)Cl 34a_100011215309_100000210202 [1,1,0,0,0,0|1,0,0]=3 3515 B10R1.1 CCOc1ccc(cn1)F 34a_100000742473_100000210202 [1,1,0,0,0,0|1,0,0]=3 3516 B10R1.1 CCOc1ccc(cn1)N 34a_100000729260_100000210202 [1,1,0,0,0,0|1,0,0]=3 3517 B10R1.1 CCOc1ccc(cn1)O 271570a_203496583355_100011219444 [1,1,0,0,0,0|1,0,0]=3 3518 B10R1.1 CCOc1ccc(nn1)O 271570a_203496583355_100000757289 [1,1,0,0,0,0|2,0,0]=4 3519 B10R1.1 CCOc1cnc(cn1)Br 34a_100011934580_100000210202 [1,1,0,0,0,0|2,0,0]=4 3520 B10R1.1 CCOc1cnc(cn1)Cl 34a_100015839800_100000210202 [1,1,0,0,0,0|2,0,0]=4 3521 B10R1.1 CCOc1cnc(cn1)O 271570a_203496583355_200012356188 [1,1,0,0,0,0|2,0,0]=4 3522 B10R1.1 CCOc1ncc(cn1)F 34a_100011934040_100000210202 [1,1,0,0,0,0|2,0,0]=4 3523 B10R1.1 CCOc1ncc(cn1)O 271570a_203496583355_100011934766 [1,1,0,0,0,0|2,0,0]=4 3524 B10R1.1 CCSc1ccc(=O)[nH]n1 62a_100000210202_100009820020 [1,1,0,0,0,0|2,0,0]=4 3525 B10R1.1 CCSc1ccc(=O)[nH]n1 62a_100009820020_100000210202 [1,1,0,0,0,0|2,0,0]=4 3526 B10R1.1 CCSc1ccc(cc1)Br 62a_100000210202_100000752885 [1,1,0,0,0,0|2,0,0]=4 3527 B10R1.1 CCSc1ccc(cc1)Br 62a_100000752885_100000210202 [1,1,0,0,0,0|2,0,0]=4 3528 B10R1.1 CCSc1ccc(cc1)C 62a_100000186775_100000210202 [1,1,0,0,0,0|2,0,0]=4 3529 B10R1.1 CCSc1ccc(cc1)C 62a_100000210202_100000186775 [1,1,0,0,0,0|2,0,0]=4 3530 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000210202_100000755918 [1,1,0,0,0,0|2,0,0]=4 3531 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000755918_100000210202 [1,1,0,0,0,0|2,0,0]=4 3532 B10R1.1 CCSc1ccc(cc1)F 62a_100000210202_100000211213 [1,1,0,0,0,0|2,0,0]=4 3533 B10R1.1 CCSc1ccc(cc1)F 62a_100000211213_100000210202 [1,1,0,0,0,0|2,0,0]=4 3534 B10R1.1 CCSc1ccc(cc1)N 62a_100000185761_100000210202 [1,1,0,0,0,0|2,0,0]=4 3535 B10R1.1 CCSc1ccc(cc1)N 62a_100000210202_100000185761 [1,1,0,0,0,0|2,0,0]=4 3536 B10R1.1 CCSc1ccc(cc1)O 271570a_203496583355_200009811893 [1,1,0,0,0,0|2,0,0]=4 3537 B10R1.1 CCSc1ccc(cc1)O 62a_100000210202_100000185759 [1,1,0,0,0,0|2,0,0]=4 3538 B10R1.1 CCSc1ccc(cn1)Br 62a_100000210202_100000686858 [1,1,0,0,0,0|1,0,0]=3 3539 B10R1.1 CCSc1ccc(cn1)Br 62a_100000686858_100000210202 [1,1,0,0,0,0|1,0,0]=3 3540 B10R1.1 CCSc1ccc(cn1)C 62a_100000210202_100000754016 [1,1,0,0,0,0|1,0,0]=3 3541 B10R1.1 CCSc1ccc(cn1)C 62a_100011192072_100000210202 [1,1,0,0,0,0|1,0,0]=3 3542 B10R1.1 CCSc1ccc(cn1)Cl 62a_100000210202_100011356976 [1,1,0,0,0,0|1,0,0]=3 3543 B10R1.1 CCSc1ccc(cn1)Cl 62a_100011356976_100000210202 [1,1,0,0,0,0|1,0,0]=3 3544 B10R1.1 CCSc1ccc(cn1)F 62a_100000210202_100000744514 [1,1,0,0,0,0|1,0,0]=3 3545 B10R1.1 CCSc1ccc(cn1)F 62a_100000744514_100000210202 [1,1,0,0,0,0|1,0,0]=3 3546 B10R1.1 CCSc1ccc(cn1)N 62a_100000210202_100000737798 [1,1,0,0,0,0|1,0,0]=3 3547 B10R1.1 CCSc1ccc(cn1)N 62a_100000737798_100000210202 [1,1,0,0,0,0|1,0,0]=3 3548 B10R1.1 CCSc1ccc(cn1)O 271570a_203496583355_100000690189 [1,1,0,0,0,0|1,0,0]=3 3549 B10R1.1 CCSc1ccc(cn1)O 62a_100000210202_100000744096 [1,1,0,0,0,0|1,0,0]=3 3550 B10R1.1 CCSc1ccc(cn1)O 62a_100000685995_100000210202 [1,1,0,0,0,0|1,0,0]=3 3551 B10R1.1 CCSc1ccc(nn1)C 62a_100000210202_100000744512 [1,1,0,0,0,0|2,0,0]=4 3552 B10R1.1 CCSc1ccc(nn1)C 62a_100000744512_100000210202 [1,1,0,0,0,0|2,0,0]=4 3553 B10R1.1 CCSc1ccc(nn1)Cl 62a_100000068654_100000210202 [1,1,0,0,0,0|2,0,0]=4 3554 B10R1.1 CCSc1ccc(nn1)Cl 62a_100000210202_100000068654 [1,1,0,0,0,0|2,0,0]=4 3555 B10R1.1 CCSc1ccc(nn1)N 62a_100000210202_100010219413 [1,1,0,0,0,0|2,0,0]=4 3556 B10R1.1 CCSc1ccc(nn1)N 62a_100010219413_100000210202 [1,1,0,0,0,0|2,0,0]=4 3557 B10R1.1 CCSc1cnc(cn1)Br 62a_100000210202_100010187541 [1,1,0,0,0,0|2,0,0]=4 3558 B10R1.1 CCSc1cnc(cn1)Br 62a_100010187541_100000210202 [1,1,0,0,0,0|2,0,0]=4 3559 B10R1.1 CCSc1cnc(cn1)C 62a_100000210202_100011999403 [1,1,0,0,0,0|2,0,0]=4 3560 B10R1.1 CCSc1cnc(cn1)C 62a_100011999403_100000210202 [1,1,0,0,0,0|2,0,0]=4 3561 B10R1.1 CCSc1cnc(cn1)Cl 62a_100000210202_100010214907 [1,1,0,0,0,0|2,0,0]=4 3562 B10R1.1 CCSc1cnc(cn1)Cl 62a_100010214907_100000210202 [1,1,0,0,0,0|2,0,0]=4 3563 B10R1.1 CCSc1cnc(cn1)F 62a_100000210202_100009856528 [1,1,0,0,0,0|2,0,0]=4 3564 B10R1.1 CCSc1cnc(cn1)F 62a_100009856528_100000210202 [1,1,0,0,0,0|2,0,0]=4 3565 B10R1.1 CCSc1cnc(cn1)N 62a_100000210202_100000744751 [1,1,0,0,0,0|2,0,0]=4 3566 B10R1.1 CCSc1cnc(cn1)N 62a_100000744751_100000210202 [1,1,0,0,0,0|2,0,0]=4 3567 B10R1.1 CCSc1cnc(cn1)O 62a_100000210202_100015839800 [1,1,0,0,0,0|2,0,0]=4 3568 B10R1.1 CCSc1cnc(cn1)O 62a_100011934580_100000210202 [1,1,0,0,0,0|2,0,0]=4 3569 B10R1.1 CCSc1ncc(cn1)Br 62a_100000210202_100000690281 [1,1,0,0,0,0|2,0,0]=4 3570 B10R1.1 CCSc1ncc(cn1)Br 62a_100000690281_100000210202 [1,1,0,0,0,0|2,0,0]=4 3571 B10R1.1 CCSc1ncc(cn1)C 62a_100000061069_100000210202 [1,1,0,0,0,0|2,0,0]=4 3572 B10R1.1 CCSc1ncc(cn1)C 62a_100000210202_100000061069 [1,1,0,0,0,0|2,0,0]=4 3573 B10R1.1 CCSc1ncc(cn1)Cl 62a_100000210202_100011356929 [1,1,0,0,0,0|2,0,0]=4 3574 B10R1.1 CCSc1ncc(cn1)Cl 62a_100011356929_100000210202 [1,1,0,0,0,0|2,0,0]=4 3575 B10R1.1 CCSc1ncc(cn1)F 62a_100000210202_100000685220 [1,1,0,0,0,0|2,0,0]=4 3576 B10R1.1 CCSc1ncc(cn1)F 62a_100000685220_100000210202 [1,1,0,0,0,0|2,0,0]=4 3577 B10R1.1 CCSc1ncc(cn1)N 62a_100000068403_100000210202 [1,1,0,0,0,0|2,0,0]=4 3578 B10R1.1 CCSc1ncc(cn1)N 62a_100000210202_100000068403 [1,1,0,0,0,0|2,0,0]=4 3579 B10R1.1 CCSc1ncc(cn1)O 271570a_203496583355_200011939514 [1,1,0,0,0,0|2,0,0]=4 3580 B10R1.1 CCSc1ncc(cn1)O 62a_100000210202_100000092845 [1,1,0,0,0,0|2,0,0]=4 3581 B10R1.1 CCSc1ncc(cn1)O 62a_100000730009_100000210202 [1,1,0,0,0,0|2,0,0]=4 3582 B10R1.1 CNCc1ccc(=O)[nH]n1 207a_100102657272_100011361533 [1,1,0,0,0,0|1,0,0]=3 3583 B10R1.1 CNCc1ccc(=O)[nH]n1 270004a_106832991635_100011361533 [1,1,0,0,0,0|1,0,0]=3 3584 B10R1.1 CNCc1ccc(cc1)Br 207a_100102657272_100000186029 [1,1,0,0,0,0|1,0,0]=3 3585 B10R1.1 CNCc1ccc(cc1)Br 2230a_100000174875_200000210301 [1,1,0,0,0,0|1,0,0]=3 3586 B10R1.1 CNCc1ccc(cc1)Br 2230a_106832991635_100011217064 [1,1,0,0,0,0|1,0,0]=3 3587 B10R1.1 CNCc1ccc(cc1)Br 26a_100102657272_100000185759 [1,1,0,0,0,0|1,0,0]=3 3588 B10R1.1 CNCc1ccc(cc1)Br 270004a_106832991635_100000186029 [1,1,0,0,0,0|1,0,0]=3 3589 B10R1.1 CNCc1ccc(cc1)Br 34a_100000174875_200000210301 [1,1,0,0,0,0|1,0,0]=3 3590 B10R1.1 CNCc1ccc(cc1)Br 34a_100102657272_100000189115 [1,1,0,0,0,0|1,0,0]=3 3591 B10R1.1 CNCc1ccc(cc1)Br 7a_106832991635_100011217064 [1,1,0,0,0,0|1,0,0]=3 3592 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [1,1,0,0,0,0|1,0,0]=3 3593 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [1,1,0,0,0,0|1,0,0]=3 3594 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [1,1,0,0,0,0|1,0,0]=3 3595 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [1,1,0,0,0,0|1,0,0]=3 3596 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [1,1,0,0,0,0|1,0,0]=3 3597 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [1,1,0,0,0,0|1,0,0]=3 3598 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [1,1,0,0,0,0|1,0,0]=3 3599 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [1,1,0,0,0,0|1,0,0]=3 3600 B10R1.1 CNCc1ccc(cc1)Cl 207a_100102657272_100000189385 [1,1,0,0,0,0|1,0,0]=3 3601 B10R1.1 CNCc1ccc(cc1)Cl 2230a_100000174871_200000210301 [1,1,0,0,0,0|1,0,0]=3 3602 B10R1.1 CNCc1ccc(cc1)Cl 2230a_106832991635_100000694040 [1,1,0,0,0,0|1,0,0]=3 3603 B10R1.1 CNCc1ccc(cc1)Cl 270004a_106832991635_100000189385 [1,1,0,0,0,0|1,0,0]=3 3604 B10R1.1 CNCc1ccc(cc1)Cl 34a_100000174871_200000210301 [1,1,0,0,0,0|1,0,0]=3 3605 B10R1.1 CNCc1ccc(cc1)Cl 34a_100102657272_100000694040 [1,1,0,0,0,0|1,0,0]=3 3606 B10R1.1 CNCc1ccc(cc1)Cl 7a_106832991635_100000187161 [1,1,0,0,0,0|1,0,0]=3 3607 B10R1.1 CNCc1ccc(cc1)F 207a_100102657272_100000210084 [1,1,0,0,0,0|1,0,0]=3 3608 B10R1.1 CNCc1ccc(cc1)F 2230a_100000174882_200000210301 [1,1,0,0,0,0|1,0,0]=3 3609 B10R1.1 CNCc1ccc(cc1)F 2230a_106832991635_100000198546 [1,1,0,0,0,0|1,0,0]=3 3610 B10R1.1 CNCc1ccc(cc1)F 270004a_106832991635_100000210084 [1,1,0,0,0,0|1,0,0]=3 3611 B10R1.1 CNCc1ccc(cc1)F 34a_100000174882_200000210301 [1,1,0,0,0,0|1,0,0]=3 3612 B10R1.1 CNCc1ccc(cc1)F 34a_100102657272_100000198546 [1,1,0,0,0,0|1,0,0]=3 3613 B10R1.1 CNCc1ccc(cc1)F 7a_106832991635_100000198546 [1,1,0,0,0,0|1,0,0]=3 3614 B10R1.1 CNCc1ccc(cc1)I 207a_100102657272_100000188517 [1,1,0,0,0,0|1,0,0]=3 3615 B10R1.1 CNCc1ccc(cc1)I 2230a_100016989417_200000210301 [1,1,0,0,0,0|1,0,0]=3 3616 B10R1.1 CNCc1ccc(cc1)I 2230a_106832991635_100000189116 [1,1,0,0,0,0|1,0,0]=3 3617 B10R1.1 CNCc1ccc(cc1)I 34a_100016989417_200000210301 [1,1,0,0,0,0|1,0,0]=3 3618 B10R1.1 CNCc1ccc(cc1)I 34a_100102657272_100000189116 [1,1,0,0,0,0|1,0,0]=3 3619 B10R1.1 CNCc1ccc(cc1)I 7a_106832991635_100000189116 [1,1,0,0,0,0|1,0,0]=3 3620 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [1,1,0,0,0,0|1,0,0]=3 3621 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [1,1,0,0,0,0|1,0,0]=3 3622 B10R1.1 CNCc1ccc(cn1)Br 207a_100102657272_100000754260 [1,1,0,0,0,0|0,0,0]=2 3623 B10R1.1 CNCc1ccc(cn1)Br 2230a_106832991635_100000702658 [1,1,0,0,0,0|0,0,0]=2 3624 B10R1.1 CNCc1ccc(cn1)Br 270004a_106832991635_100000754260 [1,1,0,0,0,0|0,0,0]=2 3625 B10R1.1 CNCc1ccc(cn1)Br 34a_100015188789_200000210301 [1,1,0,0,0,0|0,0,0]=2 3626 B10R1.1 CNCc1ccc(cn1)Br 34a_100102657272_100000702658 [1,1,0,0,0,0|0,0,0]=2 3627 B10R1.1 CNCc1ccc(cn1)Br 7a_106832991635_100000702658 [1,1,0,0,0,0|0,0,0]=2 3628 B10R1.1 CNCc1ccc(cn1)C 207a_100102657272_100000050478 [1,1,0,0,0,0|0,0,0]=2 3629 B10R1.1 CNCc1ccc(cn1)C 2230a_106832991635_100000691093 [1,1,0,0,0,0|0,0,0]=2 3630 B10R1.1 CNCc1ccc(cn1)C 270004a_106832991635_100000050478 [1,1,0,0,0,0|0,0,0]=2 3631 B10R1.1 CNCc1ccc(cn1)C 34a_100015187455_200000210301 [1,1,0,0,0,0|0,0,0]=2 3632 B10R1.1 CNCc1ccc(cn1)C 34a_100102657272_100000691093 [1,1,0,0,0,0|0,0,0]=2 3633 B10R1.1 CNCc1ccc(cn1)C 7a_106832991635_100000691093 [1,1,0,0,0,0|0,0,0]=2 3634 B10R1.1 CNCc1ccc(cn1)Cl 207a_100102657272_100011361569 [1,1,0,0,0,0|0,0,0]=2 3635 B10R1.1 CNCc1ccc(cn1)Cl 2230a_106832991635_100012066911 [1,1,0,0,0,0|0,0,0]=2 3636 B10R1.1 CNCc1ccc(cn1)Cl 270004a_106832991635_100011361569 [1,1,0,0,0,0|0,0,0]=2 3637 B10R1.1 CNCc1ccc(cn1)Cl 34a_100000697193_200000210301 [1,1,0,0,0,0|0,0,0]=2 3638 B10R1.1 CNCc1ccc(cn1)Cl 34a_100102657272_100012066911 [1,1,0,0,0,0|0,0,0]=2 3639 B10R1.1 CNCc1ccc(cn1)Cl 7a_106832991635_100012066911 [1,1,0,0,0,0|0,0,0]=2 3640 B10R1.1 CNCc1ccc(cn1)F 207a_100102657272_100011934744 [1,1,0,0,0,0|0,0,0]=2 3641 B10R1.1 CNCc1ccc(cn1)F 2230a_106832991635_100000703193 [1,1,0,0,0,0|0,0,0]=2 3642 B10R1.1 CNCc1ccc(cn1)F 270004a_106832991635_100011934744 [1,1,0,0,0,0|0,0,0]=2 3643 B10R1.1 CNCc1ccc(cn1)F 34a_100020620131_200000210301 [1,1,0,0,0,0|0,0,0]=2 3644 B10R1.1 CNCc1ccc(cn1)F 34a_100102657272_100000703193 [1,1,0,0,0,0|0,0,0]=2 3645 B10R1.1 CNCc1ccc(cn1)F 7a_106832991635_100000703193 [1,1,0,0,0,0|0,0,0]=2 3646 B10R1.1 CNCc1ccc(nc1)Br 2230a_100009817727_200000210301 [1,1,0,0,0,0|2,0,0]=4 3647 B10R1.1 CNCc1ccc(nc1)Br 2230a_106832991635_100009831999 [1,1,0,0,0,0|2,0,0]=4 3648 B10R1.1 CNCc1ccc(nc1)Br 34a_100009817727_200000210301 [1,1,0,0,0,0|2,0,0]=4 3649 B10R1.1 CNCc1ccc(nc1)Br 34a_100102657272_100009831999 [1,1,0,0,0,0|2,0,0]=4 3650 B10R1.1 CNCc1ccc(nc1)Br 7a_106832991635_100009831999 [1,1,0,0,0,0|2,0,0]=4 3651 B10R1.1 CNCc1ccc(nc1)C 2230a_106832991635_100016987292 [1,1,0,0,0,0|2,0,0]=4 3652 B10R1.1 CNCc1ccc(nc1)C 270004a_106832991635_100000743784 [1,1,0,0,0,0|2,0,0]=4 3653 B10R1.1 CNCc1ccc(nc1)C 34a_100000740942_200000210301 [1,1,0,0,0,0|2,0,0]=4 3654 B10R1.1 CNCc1ccc(nc1)C 34a_100102657272_100016987292 [1,1,0,0,0,0|2,0,0]=4 3655 B10R1.1 CNCc1ccc(nc1)C 7a_106832991635_100016987292 [1,1,0,0,0,0|2,0,0]=4 3656 B10R1.1 CNCc1ccc(nc1)Cl 2230a_100000735879_200000210301 [1,1,0,0,0,0|2,0,0]=4 3657 B10R1.1 CNCc1ccc(nc1)Cl 2230a_106832991635_100000735431 [1,1,0,0,0,0|2,0,0]=4 3658 B10R1.1 CNCc1ccc(nc1)Cl 34a_100000735879_200000210301 [1,1,0,0,0,0|2,0,0]=4 3659 B10R1.1 CNCc1ccc(nc1)Cl 34a_100102657272_100000735431 [1,1,0,0,0,0|2,0,0]=4 3660 B10R1.1 CNCc1ccc(nc1)Cl 7a_106832991635_100000735431 [1,1,0,0,0,0|2,0,0]=4 3661 B10R1.1 CNCc1ccc(nc1)F 2230a_100000101913_200000210301 [1,1,0,0,0,0|2,0,0]=4 3662 B10R1.1 CNCc1ccc(nc1)F 2230a_106832991635_100009820150 [1,1,0,0,0,0|2,0,0]=4 3663 B10R1.1 CNCc1ccc(nc1)F 34a_100000101913_200000210301 [1,1,0,0,0,0|2,0,0]=4 3664 B10R1.1 CNCc1ccc(nc1)F 34a_100102657272_100000099788 [1,1,0,0,0,0|2,0,0]=4 3665 B10R1.1 CNCc1ccc(nc1)F 7a_106832991635_100009820150 [1,1,0,0,0,0|2,0,0]=4 3666 B10R1.1 CNCc1ccc(nc1)O 207a_100102657272_100011361521 [1,1,0,0,0,0|2,0,0]=4 3667 B10R1.1 CNCc1ccc(nc1)O 2230a_100000757128_200000210301 [1,1,0,0,0,0|2,0,0]=4 3668 B10R1.1 CNCc1ccc(nc1)O 271570a_203496583355_100000026953 [1,1,0,0,0,0|2,0,0]=4 3669 B10R1.1 CNCc1ccc(nn1)Cl 2230a_106832991635_100016992710 [1,1,0,0,0,0|1,0,0]=3 3670 B10R1.1 CNCc1ccc(nn1)Cl 270004a_106832991635_100000044651 [1,1,0,0,0,0|1,0,0]=3 3671 B10R1.1 CNCc1ccc(nn1)Cl 34a_100102657272_100016992710 [1,1,0,0,0,0|1,0,0]=3 3672 B10R1.1 CNCc1ccc(nn1)Cl 7a_106832991635_100016992710 [1,1,0,0,0,0|1,0,0]=3 3673 B10R1.1 CNCc1cnc(cn1)C 2230a_106832991635_100000752025 [1,1,0,0,0,0|1,0,0]=3 3674 B10R1.1 CNCc1cnc(cn1)C 270004a_106832991635_100000685221 [1,1,0,0,0,0|1,0,0]=3 3675 B10R1.1 CNCc1cnc(cn1)C 34a_100132314150_200000210301 [1,1,0,0,0,0|1,0,0]=3 3676 B10R1.1 CNCc1cnc(cn1)C 7a_106832991635_100000752025 [1,1,0,0,0,0|1,0,0]=3 3677 B10R1.1 CNCc1cnc(cn1)Cl 270004a_106832991635_100012001714 [1,1,0,0,0,0|1,0,0]=3 3678 B10R1.1 CNCc1ncc(cn1)Br 34a_100102657272_100010064664 [1,1,0,0,0,0|1,0,0]=3 3679 B10R1.1 CNCc1ncc(cn1)Br 7a_106832991635_100010064664 [1,1,0,0,0,0|1,0,0]=3 3680 B10R1.1 CNCc1ncc(cn1)C 2230a_106832991635_100000685645 [1,1,0,0,0,0|1,0,0]=3 3681 B10R1.1 CNCc1ncc(cn1)C 34a_100102657272_100000685645 [1,1,0,0,0,0|1,0,0]=3 3682 B10R1.1 CNCc1ncc(cn1)C 7a_106832991635_100000685645 [1,1,0,0,0,0|1,0,0]=3 3683 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [1,1,0,0,0,0|2,0,0]=4 3684 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [1,1,0,0,0,0|2,0,0]=4 3685 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [1,1,0,0,0,0|2,0,0]=4 3686 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [1,1,0,0,0,0|2,0,0]=4 3687 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [1,1,0,0,0,0|2,0,0]=4 3688 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [1,1,0,0,0,0|2,0,0]=4 3689 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [1,1,0,0,0,0|2,0,0]=4 3690 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [1,1,0,0,0,0|2,0,0]=4 3691 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [1,1,0,0,0,0|2,0,0]=4 3692 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [1,1,0,0,0,0|2,0,0]=4 3693 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [1,1,0,0,0,0|2,0,0]=4 3694 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [1,1,0,0,0,0|2,0,0]=4 3695 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [1,1,0,0,0,0|2,0,0]=4 3696 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [1,1,0,0,0,0|2,0,0]=4 3697 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [1,1,0,0,0,0|2,0,0]=4 3698 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [1,1,0,0,0,0|2,0,0]=4 3699 B10R1.1 COCc1ccc(cn1)Br 34a_100000754261_200000210301 [1,1,0,0,0,0|1,0,0]=3 3700 B10R1.1 COCc1ccc(cn1)Br 34a_100138415774_100000702658 [1,1,0,0,0,0|1,0,0]=3 3701 B10R1.1 COCc1ccc(cn1)C 34a_100012001401_200000210301 [1,1,0,0,0,0|1,0,0]=3 3702 B10R1.1 COCc1ccc(cn1)C 34a_100138415774_100000691093 [1,1,0,0,0,0|1,0,0]=3 3703 B10R1.1 COCc1ccc(cn1)Cl 34a_100000703999_200000210301 [1,1,0,0,0,0|1,0,0]=3 3704 B10R1.1 COCc1ccc(cn1)Cl 34a_100138415774_100012066911 [1,1,0,0,0,0|1,0,0]=3 3705 B10R1.1 COCc1ccc(cn1)F 34a_100011999454_200000210301 [1,1,0,0,0,0|1,0,0]=3 3706 B10R1.1 COCc1ccc(cn1)F 34a_100138415774_100000703193 [1,1,0,0,0,0|1,0,0]=3 3707 B10R1.1 COCc1ccc(cn1)N 34a_100011998161_200000210301 [1,1,0,0,0,0|1,0,0]=3 3708 B10R1.1 COCc1ccc(nn1)Cl 34a_100138415774_100016992710 [1,1,0,0,0,0|2,0,0]=4 3709 B10R1.1 COCc1cnc(cn1)C 34a_100011273949_200000210301 [1,1,0,0,0,0|2,0,0]=4 3710 B10R1.1 COCc1cnc(cn1)Cl 34a_100012002382_200000210301 [1,1,0,0,0,0|2,0,0]=4 3711 B10R1.1 COCc1ncc(cn1)Br 34a_100138415774_100010064664 [1,1,0,0,0,0|2,0,0]=4 3712 B10R1.1 COCc1ncc(cn1)C 34a_100138415774_100000685645 [1,1,0,0,0,0|2,0,0]=4 3713 B10R1.1 CSCc1ccc(cc1)Br 62a_100000189115_200000210301 [1,1,0,0,0,0|2,0,0]=4 3714 B10R1.1 CSCc1ccc(cc1)Br 62a_200000210301_100000189115 [1,1,0,0,0,0|2,0,0]=4 3715 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [1,1,0,0,0,0|2,0,0]=4 3716 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [1,1,0,0,0,0|2,0,0]=4 3717 B10R1.1 CSCc1ccc(cc1)Cl 62a_100000187161_200000210301 [1,1,0,0,0,0|2,0,0]=4 3718 B10R1.1 CSCc1ccc(cc1)Cl 62a_200000210301_100000187161 [1,1,0,0,0,0|2,0,0]=4 3719 B10R1.1 CSCc1ccc(cc1)F 62a_100000198546_200000210301 [1,1,0,0,0,0|2,0,0]=4 3720 B10R1.1 CSCc1ccc(cc1)F 62a_200000210301_100000187164 [1,1,0,0,0,0|2,0,0]=4 3721 B10R1.1 CSCc1ccc(cc1)I 62a_100000189116_200000210301 [1,1,0,0,0,0|2,0,0]=4 3722 B10R1.1 CSCc1ccc(cc1)I 62a_200000210301_100000189116 [1,1,0,0,0,0|2,0,0]=4 3723 B10R1.1 CSCc1ccc(cn1)Br 62a_100000702658_200000210301 [1,1,0,0,0,0|1,0,0]=3 3724 B10R1.1 CSCc1ccc(cn1)Br 62a_200000210301_100000702658 [1,1,0,0,0,0|1,0,0]=3 3725 B10R1.1 CSCc1ccc(cn1)C 62a_100000691093_200000210301 [1,1,0,0,0,0|1,0,0]=3 3726 B10R1.1 CSCc1ccc(cn1)C 62a_200000210301_100000691093 [1,1,0,0,0,0|1,0,0]=3 3727 B10R1.1 CSCc1ccc(cn1)Cl 62a_100012066911_200000210301 [1,1,0,0,0,0|1,0,0]=3 3728 B10R1.1 CSCc1ccc(cn1)Cl 62a_200000210301_100000697101 [1,1,0,0,0,0|1,0,0]=3 3729 B10R1.1 CSCc1ccc(cn1)F 62a_100000703193_200000210301 [1,1,0,0,0,0|1,0,0]=3 3730 B10R1.1 CSCc1ccc(cn1)F 62a_200000210301_100000703193 [1,1,0,0,0,0|1,0,0]=3 3731 B10R1.1 CSCc1ccc(nn1)Cl 62a_100016992710_200000210301 [1,1,0,0,0,0|2,0,0]=4 3732 B10R1.1 CSCc1ccc(nn1)Cl 62a_200000210301_100016992710 [1,1,0,0,0,0|2,0,0]=4 3733 B10R1.1 CSCc1cnc(cn1)C 62a_100000752025_200000210301 [1,1,0,0,0,0|2,0,0]=4 3734 B10R1.1 CSCc1cnc(cn1)C 62a_200000210301_100000752025 [1,1,0,0,0,0|2,0,0]=4 3735 B10R1.1 CSCc1ncc(cn1)Br 62a_100010064664_200000210301 [1,1,0,0,0,0|2,0,0]=4 3736 B10R1.1 CSCc1ncc(cn1)Br 62a_200000210301_100010064664 [1,1,0,0,0,0|2,0,0]=4 3737 B10R1.1 CSCc1ncc(cn1)C 62a_100000685645_200000210301 [1,1,0,0,0,0|2,0,0]=4 3738 B10R1.1 CSCc1ncc(cn1)C 62a_200000210301_100000685645 [1,1,0,0,0,0|2,0,0]=4 3739 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [1,1,0,0,0,0|1,0,0]=3 3740 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [1,1,0,0,0,0|1,0,0]=3 3741 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [1,1,0,0,0,0|2,0,0]=4 3742 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [1,1,0,0,0,0|2,0,0]=4 3743 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [1,1,0,0,0,0|2,0,0]=4 3744 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [1,1,0,0,0,0|2,0,0]=4 3745 B10R1.1 Cc1ccc(cn1)CN[13CH3] 34a_100000740942_200025704644 [1,1,0,0,0,0|2,0,0]=4 3746 B10R1.1 Cc1ccc(nc1)CN[13CH3] 34a_100015187455_200025704644 [1,1,0,0,0,0|0,0,0]=2 3747 B10R1.1 Cc1ccc(nc1)CO[13CH3] 34a_100012001401_200025704644 [1,1,0,0,0,0|1,0,0]=3 3748 B10R1.1 Cc1ccc(nc1)CS[13CH3] 62a_100000691093_200025704644 [1,1,0,0,0,0|1,0,0]=3 3749 B10R1.1 Cc1ccc(nc1)CS[13CH3] 62a_200025704644_100000691093 [1,1,0,0,0,0|1,0,0]=3 3750 B10R1.1 Cc1ccc(nc1)OCF 34a_100000759353_100015361967 [1,1,0,0,0,0|2,0,0]=4 3751 B10R1.1 Cc1ccc(nc1)SCF 62a_100011192072_100015361967 [1,1,0,0,0,0|2,0,0]=4 3752 B10R1.1 Cc1ccc(nc1)SCF 62a_100015361967_100000754016 [1,1,0,0,0,0|2,0,0]=4 3753 B10R1.1 Cc1cnc(cn1)CN[13CH3] 34a_100132314150_200025704644 [1,1,0,0,0,0|1,0,0]=3 3754 B10R1.1 Cc1cnc(cn1)CO[13CH3] 34a_100011273949_200025704644 [1,1,0,0,0,0|2,0,0]=4 3755 B10R1.1 Cc1cnc(cn1)CS[13CH3] 62a_100000752025_200025704644 [1,1,0,0,0,0|2,0,0]=4 3756 B10R1.1 Cc1cnc(cn1)CS[13CH3] 62a_200025704644_100000752025 [1,1,0,0,0,0|2,0,0]=4 3757 B10R1.1 Cc1cnc(nc1)CS[13CH3] 62a_100000685645_200025704644 [1,1,0,0,0,0|2,0,0]=4 3758 B10R1.1 Cc1cnc(nc1)CS[13CH3] 62a_200025704644_100000685645 [1,1,0,0,0,0|2,0,0]=4 3759 B10R1.1 FCOc1ccc(cn1)Cl 34a_100011215309_100015361967 [1,1,0,0,0,0|2,0,0]=4 3760 B10R1.1 FCOc1ccc(cn1)F 34a_100000742473_100015361967 [1,1,0,0,0,0|2,0,0]=4 3761 B10R1.1 FCSc1ccc(cn1)Br 62a_100000686858_100015361967 [1,1,0,0,0,0|2,0,0]=4 3762 B10R1.1 FCSc1ccc(cn1)Br 62a_100015361967_100000686858 [1,1,0,0,0,0|2,0,0]=4 3763 B10R1.1 FCSc1ccc(cn1)Cl 62a_100011356976_100015361967 [1,1,0,0,0,0|2,0,0]=4 3764 B10R1.1 FCSc1ccc(cn1)Cl 62a_100015361967_100011356976 [1,1,0,0,0,0|2,0,0]=4 3765 B10R1.1 FCSc1ccc(cn1)F 62a_100000744514_100015361967 [1,1,0,0,0,0|2,0,0]=4 3766 B10R1.1 FCSc1ccc(cn1)F 62a_100015361967_100000744514 [1,1,0,0,0,0|2,0,0]=4 3767 B10R1.1 N#CCc1ccc(cn1)O 271570a_203496583355_100011824422 [1,1,0,0,0,0|0,0,2]=4 3768 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [1,1,0,0,0,0|1,0,0]=3 3769 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [1,1,0,0,0,0|2,0,0]=4 3770 B10R1.1 Nc1ccc(nc1)OCF 34a_100000729260_100015361967 [1,1,0,0,0,0|2,0,0]=4 3771 B10R1.1 Nc1ccc(nc1)SCF 62a_100000737798_100015361967 [1,1,0,0,0,0|2,0,0]=4 3772 B10R1.1 Nc1ccc(nc1)SCF 62a_100015361967_100000737798 [1,1,0,0,0,0|2,0,0]=4 3773 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [1,1,0,0,0,0|2,0,0]=4 3774 B10R1.1 OCCc1ccc(cn1)O 271570a_203496583355_100012357577 [1,1,0,0,0,0|1,0,0]=3 3775 B10R1.1 Oc1ccc(nc1)SCF 62a_100000685995_100015361967 [1,1,0,0,0,0|2,0,0]=4 3776 B10R1.1 Oc1ccc(nc1)SCF 62a_100015361967_100000744096 [1,1,0,0,0,0|2,0,0]=4 3777 B10R1.1 [13CH3]NCc1ccc(cc1)Br 2230a_100000174875_200025704644 [1,1,0,0,0,0|1,0,0]=3 3778 B10R1.1 [13CH3]NCc1ccc(cc1)Br 34a_100000174875_200025704644 [1,1,0,0,0,0|1,0,0]=3 3779 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 2230a_100000174871_200025704644 [1,1,0,0,0,0|1,0,0]=3 3780 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 34a_100000174871_200025704644 [1,1,0,0,0,0|1,0,0]=3 3781 B10R1.1 [13CH3]NCc1ccc(cc1)F 2230a_100000174882_200025704644 [1,1,0,0,0,0|1,0,0]=3 3782 B10R1.1 [13CH3]NCc1ccc(cc1)F 34a_100000174882_200025704644 [1,1,0,0,0,0|1,0,0]=3 3783 B10R1.1 [13CH3]NCc1ccc(cc1)I 2230a_100016989417_200025704644 [1,1,0,0,0,0|1,0,0]=3 3784 B10R1.1 [13CH3]NCc1ccc(cc1)I 34a_100016989417_200025704644 [1,1,0,0,0,0|1,0,0]=3 3785 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [1,1,0,0,0,0|1,0,0]=3 3786 B10R1.1 [13CH3]NCc1ccc(cn1)Br 34a_100015188789_200025704644 [1,1,0,0,0,0|0,0,0]=2 3787 B10R1.1 [13CH3]NCc1ccc(cn1)Cl 34a_100000697193_200025704644 [1,1,0,0,0,0|0,0,0]=2 3788 B10R1.1 [13CH3]NCc1ccc(cn1)F 34a_100020620131_200025704644 [1,1,0,0,0,0|0,0,0]=2 3789 B10R1.1 [13CH3]NCc1ccc(nc1)Br 2230a_100009817727_200025704644 [1,1,0,0,0,0|2,0,0]=4 3790 B10R1.1 [13CH3]NCc1ccc(nc1)Br 34a_100009817727_200025704644 [1,1,0,0,0,0|2,0,0]=4 3791 B10R1.1 [13CH3]NCc1ccc(nc1)Cl 2230a_100000735879_200025704644 [1,1,0,0,0,0|2,0,0]=4 3792 B10R1.1 [13CH3]NCc1ccc(nc1)Cl 34a_100000735879_200025704644 [1,1,0,0,0,0|2,0,0]=4 3793 B10R1.1 [13CH3]NCc1ccc(nc1)F 2230a_100000101913_200025704644 [1,1,0,0,0,0|2,0,0]=4 3794 B10R1.1 [13CH3]NCc1ccc(nc1)F 34a_100000101913_200025704644 [1,1,0,0,0,0|2,0,0]=4 3795 B10R1.1 [13CH3]NCc1ccc(nc1)O 2230a_100000757128_200025704644 [1,1,0,0,0,0|2,0,0]=4 3796 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [1,1,0,0,0,0|2,0,0]=4 3797 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [1,1,0,0,0,0|2,0,0]=4 3798 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [1,1,0,0,0,0|2,0,0]=4 3799 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [1,1,0,0,0,0|2,0,0]=4 3800 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [1,1,0,0,0,0|2,0,0]=4 3801 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [1,1,0,0,0,0|2,0,0]=4 3802 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [1,1,0,0,0,0|2,0,0]=4 3803 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [1,1,0,0,0,0|2,0,0]=4 3804 B10R1.1 [13CH3]OCc1ccc(cn1)Br 34a_100000754261_200025704644 [1,1,0,0,0,0|1,0,0]=3 3805 B10R1.1 [13CH3]OCc1ccc(cn1)Cl 34a_100000703999_200025704644 [1,1,0,0,0,0|1,0,0]=3 3806 B10R1.1 [13CH3]OCc1ccc(cn1)F 34a_100011999454_200025704644 [1,1,0,0,0,0|1,0,0]=3 3807 B10R1.1 [13CH3]OCc1ccc(cn1)N 34a_100011998161_200025704644 [1,1,0,0,0,0|1,0,0]=3 3808 B10R1.1 [13CH3]OCc1cnc(cn1)Cl 34a_100012002382_200025704644 [1,1,0,0,0,0|2,0,0]=4 3809 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_100000189115_200025704644 [1,1,0,0,0,0|2,0,0]=4 3810 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_200025704644_100000189115 [1,1,0,0,0,0|2,0,0]=4 3811 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_100000187161_200025704644 [1,1,0,0,0,0|2,0,0]=4 3812 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_200025704644_100000187161 [1,1,0,0,0,0|2,0,0]=4 3813 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_100000198546_200025704644 [1,1,0,0,0,0|2,0,0]=4 3814 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_200025704644_100000187164 [1,1,0,0,0,0|2,0,0]=4 3815 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_100000189116_200025704644 [1,1,0,0,0,0|2,0,0]=4 3816 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_200025704644_100000189116 [1,1,0,0,0,0|2,0,0]=4 3817 B10R1.1 [13CH3]SCc1ccc(cn1)Br 62a_100000702658_200025704644 [1,1,0,0,0,0|1,0,0]=3 3818 B10R1.1 [13CH3]SCc1ccc(cn1)Br 62a_200025704644_100000702658 [1,1,0,0,0,0|1,0,0]=3 3819 B10R1.1 [13CH3]SCc1ccc(cn1)Cl 62a_100012066911_200025704644 [1,1,0,0,0,0|1,0,0]=3 3820 B10R1.1 [13CH3]SCc1ccc(cn1)Cl 62a_200025704644_100000697101 [1,1,0,0,0,0|1,0,0]=3 3821 B10R1.1 [13CH3]SCc1ccc(cn1)F 62a_100000703193_200025704644 [1,1,0,0,0,0|1,0,0]=3 3822 B10R1.1 [13CH3]SCc1ccc(cn1)F 62a_200025704644_100000703193 [1,1,0,0,0,0|1,0,0]=3 3823 B10R1.1 [13CH3]SCc1ccc(nn1)Cl 62a_100016992710_200025704644 [1,1,0,0,0,0|2,0,0]=4 3824 B10R1.1 [13CH3]SCc1ccc(nn1)Cl 62a_200025704644_100016992710 [1,1,0,0,0,0|2,0,0]=4 3825 B10R1.1 [13CH3]SCc1ncc(cn1)Br 62a_100010064664_200025704644 [1,1,0,0,0,0|2,0,0]=4 3826 B10R1.1 [13CH3]SCc1ncc(cn1)Br 62a_200025704644_100010064664 [1,1,0,0,0,0|2,0,0]=4 3827 B10R1.4 CC=Cc1ncccc1Br 271570a_100016259895_100000696092 [1,1,0,0,0,0|0,0,2]=4 3828 B10R1.4 CC=Cc1ncccc1C 271570a_100016259895_100000751373 [1,1,0,0,0,0|0,0,2]=4 3829 B10R1.4 CC=Cc1ncccc1Cl 271570a_100016259895_100011356963 [1,1,0,0,0,0|0,0,2]=4 3830 B10R1.4 CC=Cc1ncccc1F 271570a_100016259895_100000685392 [1,1,0,0,0,0|0,0,2]=4 3831 B10R1.4 CC=Cc1ncccc1N 271570a_100016259895_100000688686 [1,1,0,0,0,0|0,0,2]=4 3832 B10R1.4 CC=Cc1ncccc1O 271570a_100016259895_100000034122 [1,1,0,0,0,0|0,0,2]=4 3833 B10R1.4 CCCc1ncncc1O 271570a_203496583355_100009816987 [1,1,0,0,0,0|1,0,0]=3 3834 B10R1.4 CCNc1ccccc1Br 34a_100000210017_100000210202 [1,1,0,0,0,0|2,0,0]=4 3835 B10R1.4 CCNc1ccccc1C 34a_100015192222_100000210202 [1,1,0,0,0,0|2,0,0]=4 3836 B10R1.4 CCNc1ccccc1Cl 34a_100000185783_100000210202 [1,1,0,0,0,0|2,0,0]=4 3837 B10R1.4 CCNc1ccccc1F 34a_100000210422_100000210202 [1,1,0,0,0,0|2,0,0]=4 3838 B10R1.4 CCNc1ccccc1I 34a_100000210053_100000210202 [1,1,0,0,0,0|2,0,0]=4 3839 B10R1.4 CCNc1ccccc1O 271570a_203496583355_114873767003 [1,1,0,0,0,0|2,0,0]=4 3840 B10R1.4 CCNc1ccccc1O 34a_100000185747_100000210202 [1,1,0,0,0,0|2,0,0]=4 3841 B10R1.4 CCNc1ncccc1Br 27a_100015525214_100000696092 [1,1,0,0,0,0|1,0,0]=3 3842 B10R1.4 CCNc1nccnc1C 27a_100015525214_100011999405 [1,1,0,0,0,0|2,0,0]=4 3843 B10R1.4 CCNc1nccnc1F 27a_100015525214_200010125657 [1,1,0,0,0,0|2,0,0]=4 3844 B10R1.4 CCNc1ncncc1C 27a_100015525214_100011998708 [1,1,0,0,0,0|2,0,0]=4 3845 B10R1.4 CCNc1ncncc1F 27a_100015525214_100000069762 [1,1,0,0,0,0|2,0,0]=4 3846 B10R1.4 CCNc1ncncc1N 27a_100015525214_100000709731 [1,1,0,0,0,0|2,0,0]=4 3847 B10R1.4 CCNc1nnccc1C 27a_100015525214_100000089043 [1,1,0,0,0,0|2,0,0]=4 3848 B10R1.4 CCOc1cccc[n+]1[O-] 7a_100000211761_100000210202 [1,1,0,0,0,0|1,0,1]=4 3849 B10R1.4 CCOc1ccccc1Br 34a_100000181306_100000210202 [1,1,0,0,0,0|2,0,0]=4 3850 B10R1.4 CCOc1ccccc1Br 7a_100000181306_100000210202 [1,1,0,0,0,0|2,0,0]=4 3851 B10R1.4 CCOc1ccccc1C 34a_100000210338_100000210202 [1,1,0,0,0,0|2,0,0]=4 3852 B10R1.4 CCOc1ccccc1C 7a_100000210338_100000210202 [1,1,0,0,0,0|2,0,0]=4 3853 B10R1.4 CCOc1ccccc1Cl 34a_100000210172_100000210202 [1,1,0,0,0,0|2,0,0]=4 3854 B10R1.4 CCOc1ccccc1Cl 7a_100000210172_100000210202 [1,1,0,0,0,0|2,0,0]=4 3855 B10R1.4 CCOc1ccccc1F 34a_100000210171_100000210202 [1,1,0,0,0,0|2,0,0]=4 3856 B10R1.4 CCOc1ccccc1F 7a_100000210171_100000210202 [1,1,0,0,0,0|2,0,0]=4 3857 B10R1.4 CCOc1ccccc1I 34a_100000739446_100000210202 [1,1,0,0,0,0|2,0,0]=4 3858 B10R1.4 CCOc1ccccc1I 7a_100000739446_100000210202 [1,1,0,0,0,0|2,0,0]=4 3859 B10R1.4 CCOc1ccccc1N 34a_100000185747_100000210202 [1,1,0,0,0,0|2,0,0]=4 3860 B10R1.4 CCOc1ccccc1N 7a_100000185747_100000210202 [1,1,0,0,0,0|2,0,0]=4 3861 B10R1.4 CCOc1ccccc1O 271570a_203496583355_100000230754 [1,1,0,0,0,0|2,0,0]=4 3862 B10R1.4 CCOc1ncccc1Cl 34a_100011290957_100000210202 [1,1,0,0,0,0|1,0,0]=3 3863 B10R1.4 CCOc1ncccc1F 34a_100011219419_100000210202 [1,1,0,0,0,0|1,0,0]=3 3864 B10R1.4 CCOc1ncccc1N 34a_100000746358_100000210202 [1,1,0,0,0,0|1,0,0]=3 3865 B10R1.4 CCOc1ncccc1O 271570a_203496583355_100011465154 [1,1,0,0,0,0|1,0,0]=3 3866 B10R1.4 CCOc1nccnc1C 34a_100000766352_100000210202 [1,1,0,0,0,0|2,0,0]=4 3867 B10R1.4 CCOc1nccnc1O 271570a_203496583355_200010128176 [1,1,0,0,0,0|2,0,0]=4 3868 B10R1.4 CCSc1cccc[n+]1C 62a_100000210202_100000212160 [1,1,0,0,0,0|1,0,1]=4 3869 B10R1.4 CCSc1cccc[n+]1[O-] 62a_100000210202_200000042595 [1,1,0,0,0,0|1,0,1]=4 3870 B10R1.4 CCSc1ccccc1Br 62a_100000210202_100000695589 [1,1,0,0,0,0|2,0,0]=4 3871 B10R1.4 CCSc1ccccc1Br 62a_100000695589_100000210202 [1,1,0,0,0,0|2,0,0]=4 3872 B10R1.4 CCSc1ccccc1C 62a_100000210202_100000210755 [1,1,0,0,0,0|2,0,0]=4 3873 B10R1.4 CCSc1ccccc1C 62a_100000210755_100000210202 [1,1,0,0,0,0|2,0,0]=4 3874 B10R1.4 CCSc1ccccc1Cl 62a_100000210202_100000764095 [1,1,0,0,0,0|2,0,0]=4 3875 B10R1.4 CCSc1ccccc1Cl 62a_100000764095_100000210202 [1,1,0,0,0,0|2,0,0]=4 3876 B10R1.4 CCSc1ccccc1F 62a_100000210202_100011215700 [1,1,0,0,0,0|2,0,0]=4 3877 B10R1.4 CCSc1ccccc1F 62a_100011215700_100000210202 [1,1,0,0,0,0|2,0,0]=4 3878 B10R1.4 CCSc1ccccc1N 62a_100000210017_100000210202 [1,1,0,0,0,0|2,0,0]=4 3879 B10R1.4 CCSc1ccccc1N 62a_100000210202_100000210017 [1,1,0,0,0,0|2,0,0]=4 3880 B10R1.4 CCSc1ccccc1O 271570a_203496583355_100000230856 [1,1,0,0,0,0|2,0,0]=4 3881 B10R1.4 CCSc1ccccc1O 62a_100000210202_100000739446 [1,1,0,0,0,0|2,0,0]=4 3882 B10R1.4 CCSc1ccccc1O 62a_100000739446_100000210202 [1,1,0,0,0,0|2,0,0]=4 3883 B10R1.4 CCSc1ncc[nH]c1=O 62a_100000210202_100000763361 [1,1,0,0,0,0|2,0,0]=4 3884 B10R1.4 CCSc1ncccc1Br 62a_100000210202_100000696092 [1,1,0,0,0,0|1,0,0]=3 3885 B10R1.4 CCSc1ncccc1Br 62a_100000696092_100000210202 [1,1,0,0,0,0|1,0,0]=3 3886 B10R1.4 CCSc1ncccc1C 62a_100000210202_100000751373 [1,1,0,0,0,0|1,0,0]=3 3887 B10R1.4 CCSc1ncccc1C 62a_100000751373_100000210202 [1,1,0,0,0,0|1,0,0]=3 3888 B10R1.4 CCSc1ncccc1Cl 62a_100000210202_100011356963 [1,1,0,0,0,0|1,0,0]=3 3889 B10R1.4 CCSc1ncccc1Cl 62a_100011356963_100000210202 [1,1,0,0,0,0|1,0,0]=3 3890 B10R1.4 CCSc1ncccc1F 62a_100000210202_100000685392 [1,1,0,0,0,0|1,0,0]=3 3891 B10R1.4 CCSc1ncccc1F 62a_100000685392_100000210202 [1,1,0,0,0,0|1,0,0]=3 3892 B10R1.4 CCSc1ncccc1N 62a_100000210202_100000688686 [1,1,0,0,0,0|1,0,0]=3 3893 B10R1.4 CCSc1ncccc1N 62a_100000688686_100000210202 [1,1,0,0,0,0|1,0,0]=3 3894 B10R1.4 CCSc1ncccc1O 62a_100000034122_100000210202 [1,1,0,0,0,0|1,0,0]=3 3895 B10R1.4 CCSc1ncccc1O 62a_100000210202_100000034122 [1,1,0,0,0,0|1,0,0]=3 3896 B10R1.4 CCSc1nccnc1C 62a_100000210202_100011999405 [1,1,0,0,0,0|2,0,0]=4 3897 B10R1.4 CCSc1nccnc1C 62a_100011999405_100000210202 [1,1,0,0,0,0|2,0,0]=4 3898 B10R1.4 CCSc1nccnc1Cl 62a_100000210202_100010886584 [1,1,0,0,0,0|2,0,0]=4 3899 B10R1.4 CCSc1nccnc1Cl 62a_100010886584_100000210202 [1,1,0,0,0,0|2,0,0]=4 3900 B10R1.4 CCSc1nccnc1F 62a_100000210202_200010125657 [1,1,0,0,0,0|2,0,0]=4 3901 B10R1.4 CCSc1nccnc1F 62a_200010125657_100000210202 [1,1,0,0,0,0|2,0,0]=4 3902 B10R1.4 CCSc1nccnc1N 62a_100000210202_100000747729 [1,1,0,0,0,0|2,0,0]=4 3903 B10R1.4 CCSc1nccnc1N 62a_100000747729_100000210202 [1,1,0,0,0,0|2,0,0]=4 3904 B10R1.4 CCSc1ncncc1C 62a_100000210202_100011998708 [1,1,0,0,0,0|2,0,0]=4 3905 B10R1.4 CCSc1ncncc1C 62a_100011998708_100000210202 [1,1,0,0,0,0|2,0,0]=4 3906 B10R1.4 CCSc1ncncc1F 62a_100000069762_100000210202 [1,1,0,0,0,0|2,0,0]=4 3907 B10R1.4 CCSc1ncncc1F 62a_100000210202_100000069762 [1,1,0,0,0,0|2,0,0]=4 3908 B10R1.4 CCSc1ncncc1N 62a_100000210202_100000709731 [1,1,0,0,0,0|2,0,0]=4 3909 B10R1.4 CCSc1ncncc1N 62a_100000709731_100000210202 [1,1,0,0,0,0|2,0,0]=4 3910 B10R1.4 CCSc1nnccc1C 62a_100000210202_100000089043 [1,1,0,0,0,0|2,0,0]=4 3911 B10R1.4 CNCc1ccccc1Br 207a_100102657272_100000211189 [1,1,0,0,0,0|1,0,0]=3 3912 B10R1.4 CNCc1ccccc1Br 2230a_100000689332_200000210301 [1,1,0,0,0,0|1,0,0]=3 3913 B10R1.4 CNCc1ccccc1Br 2230a_106832991635_100000184730 [1,1,0,0,0,0|1,0,0]=3 3914 B10R1.4 CNCc1ccccc1Br 26a_100102657272_100000181306 [1,1,0,0,0,0|1,0,0]=3 3915 B10R1.4 CNCc1ccccc1Br 270004a_106832991635_100000211189 [1,1,0,0,0,0|1,0,0]=3 3916 B10R1.4 CNCc1ccccc1Br 34a_100000689332_200000210301 [1,1,0,0,0,0|1,0,0]=3 3917 B10R1.4 CNCc1ccccc1Br 34a_100102657272_100000184730 [1,1,0,0,0,0|1,0,0]=3 3918 B10R1.4 CNCc1ccccc1Br 7a_106832991635_100000184730 [1,1,0,0,0,0|1,0,0]=3 3919 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,1,0,0,0,0|1,0,0]=3 3920 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,1,0,0,0,0|1,0,0]=3 3921 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,1,0,0,0,0|1,0,0]=3 3922 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,1,0,0,0,0|1,0,0]=3 3923 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,1,0,0,0,0|1,0,0]=3 3924 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,1,0,0,0,0|1,0,0]=3 3925 B10R1.4 CNCc1ccccc1Cl 207a_100102657272_100000210073 [1,1,0,0,0,0|1,0,0]=3 3926 B10R1.4 CNCc1ccccc1Cl 2230a_100000174879_200000210301 [1,1,0,0,0,0|1,0,0]=3 3927 B10R1.4 CNCc1ccccc1Cl 2230a_106832991635_100000187162 [1,1,0,0,0,0|1,0,0]=3 3928 B10R1.4 CNCc1ccccc1Cl 26a_100102657272_100000210172 [1,1,0,0,0,0|1,0,0]=3 3929 B10R1.4 CNCc1ccccc1Cl 270004a_106832991635_100000210073 [1,1,0,0,0,0|1,0,0]=3 3930 B10R1.4 CNCc1ccccc1Cl 34a_100000174879_200000210301 [1,1,0,0,0,0|1,0,0]=3 3931 B10R1.4 CNCc1ccccc1Cl 34a_100102657272_100000187162 [1,1,0,0,0,0|1,0,0]=3 3932 B10R1.4 CNCc1ccccc1Cl 7a_106832991635_100000187162 [1,1,0,0,0,0|1,0,0]=3 3933 B10R1.4 CNCc1ccccc1F 207a_100102657272_100000210811 [1,1,0,0,0,0|1,0,0]=3 3934 B10R1.4 CNCc1ccccc1F 2230a_106832991635_100000211605 [1,1,0,0,0,0|1,0,0]=3 3935 B10R1.4 CNCc1ccccc1F 270004a_106832991635_100000210811 [1,1,0,0,0,0|1,0,0]=3 3936 B10R1.4 CNCc1ccccc1F 34a_100000174869_200000210301 [1,1,0,0,0,0|1,0,0]=3 3937 B10R1.4 CNCc1ccccc1F 34a_100102657272_100000211605 [1,1,0,0,0,0|1,0,0]=3 3938 B10R1.4 CNCc1ccccc1F 7a_106832991635_100000211605 [1,1,0,0,0,0|1,0,0]=3 3939 B10R1.4 CNCc1ccccc1I 207a_100102657272_100000010305 [1,1,0,0,0,0|1,0,0]=3 3940 B10R1.4 CNCc1ccccc1I 2230a_106832991635_100011215278 [1,1,0,0,0,0|1,0,0]=3 3941 B10R1.4 CNCc1ccccc1I 270004a_106832991635_100000010305 [1,1,0,0,0,0|1,0,0]=3 3942 B10R1.4 CNCc1ccccc1I 34a_100102657272_100011215278 [1,1,0,0,0,0|1,0,0]=3 3943 B10R1.4 CNCc1ccccc1I 7a_106832991635_100011215278 [1,1,0,0,0,0|1,0,0]=3 3944 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [1,1,0,0,0,0|1,0,0]=3 3945 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [1,1,0,0,0,0|1,0,0]=3 3946 B10R1.4 CNCc1cccnc1Br 2230a_100009818023_200000210301 [1,1,0,0,0,0|2,0,0]=4 3947 B10R1.4 CNCc1cccnc1Br 2230a_106832991635_100010140945 [1,1,0,0,0,0|2,0,0]=4 3948 B10R1.4 CNCc1cccnc1Br 34a_100009818023_200000210301 [1,1,0,0,0,0|2,0,0]=4 3949 B10R1.4 CNCc1cccnc1Br 34a_100102657272_100010140945 [1,1,0,0,0,0|2,0,0]=4 3950 B10R1.4 CNCc1cccnc1Br 7a_106832991635_100010140945 [1,1,0,0,0,0|2,0,0]=4 3951 B10R1.4 CNCc1cccnc1C 207a_100102657272_100000751968 [1,1,0,0,0,0|2,0,0]=4 3952 B10R1.4 CNCc1cccnc1C 2230a_106832991635_100000732876 [1,1,0,0,0,0|2,0,0]=4 3953 B10R1.4 CNCc1cccnc1C 270004a_106832991635_100000751968 [1,1,0,0,0,0|2,0,0]=4 3954 B10R1.4 CNCc1cccnc1C 34a_100102657272_100000732876 [1,1,0,0,0,0|2,0,0]=4 3955 B10R1.4 CNCc1cccnc1C 7a_106832991635_100000732876 [1,1,0,0,0,0|2,0,0]=4 3956 B10R1.4 CNCc1cccnc1Cl 2230a_100015189234_200000210301 [1,1,0,0,0,0|2,0,0]=4 3957 B10R1.4 CNCc1cccnc1Cl 2230a_106832991635_100000045678 [1,1,0,0,0,0|2,0,0]=4 3958 B10R1.4 CNCc1cccnc1Cl 34a_100015189234_200000210301 [1,1,0,0,0,0|2,0,0]=4 3959 B10R1.4 CNCc1cccnc1Cl 34a_100102657272_100000045678 [1,1,0,0,0,0|2,0,0]=4 3960 B10R1.4 CNCc1cccnc1Cl 7a_106832991635_100000045678 [1,1,0,0,0,0|2,0,0]=4 3961 B10R1.4 CNCc1cccnc1F 2230a_106832991635_100000099810 [1,1,0,0,0,0|2,0,0]=4 3962 B10R1.4 CNCc1cccnc1F 34a_100000724633_200000210301 [1,1,0,0,0,0|2,0,0]=4 3963 B10R1.4 CNCc1cccnc1F 34a_100102657272_100000099810 [1,1,0,0,0,0|2,0,0]=4 3964 B10R1.4 CNCc1cccnc1F 7a_106832991635_100000099810 [1,1,0,0,0,0|2,0,0]=4 3965 B10R1.4 CNCc1cccnc1O 207a_100102657272_100011998315 [1,1,0,0,0,0|2,0,0]=4 3966 B10R1.4 CNCc1cccnc1O 270004a_106832991635_100011998315 [1,1,0,0,0,0|2,0,0]=4 3967 B10R1.4 CNCc1cccnc1O 271570a_203496583355_103496529121 [1,1,0,0,0,0|2,0,0]=4 3968 B10R1.4 CNCc1ccncc1Br 270004a_106832991635_100000755692 [1,1,0,0,0,0|2,0,0]=4 3969 B10R1.4 CNCc1ccncc1C 2230a_106832991635_100020672808 [1,1,0,0,0,0|2,0,0]=4 3970 B10R1.4 CNCc1ccncc1C 34a_100102657272_100020672809 [1,1,0,0,0,0|2,0,0]=4 3971 B10R1.4 CNCc1ccncc1C 7a_106832991635_100020672808 [1,1,0,0,0,0|2,0,0]=4 3972 B10R1.4 CNCc1ccncc1Cl 207a_100102657272_100011934409 [1,1,0,0,0,0|2,0,0]=4 3973 B10R1.4 CNCc1ccncc1Cl 2230a_106832991635_100000763264 [1,1,0,0,0,0|2,0,0]=4 3974 B10R1.4 CNCc1ccncc1Cl 270004a_106832991635_100011934409 [1,1,0,0,0,0|2,0,0]=4 3975 B10R1.4 CNCc1ccncc1Cl 7a_106832991635_100000763264 [1,1,0,0,0,0|2,0,0]=4 3976 B10R1.4 CNCc1ccncc1F 34a_100011935246_200000210301 [1,1,0,0,0,0|2,0,0]=4 3977 B10R1.4 CNCc1cnccc1Br 270004a_106832991635_100009816821 [1,1,0,0,0,0|2,0,0]=4 3978 B10R1.4 CNCc1cnccc1C 207a_100102657272_100000685662 [1,1,0,0,0,0|2,0,0]=4 3979 B10R1.4 CNCc1cnccc1C 2230a_106832991635_100000690890 [1,1,0,0,0,0|2,0,0]=4 3980 B10R1.4 CNCc1cnccc1C 270004a_106832991635_100000685662 [1,1,0,0,0,0|2,0,0]=4 3981 B10R1.4 CNCc1cnccc1C 34a_100102657272_100000690890 [1,1,0,0,0,0|2,0,0]=4 3982 B10R1.4 CNCc1cnccc1C 7a_106832991635_100000690890 [1,1,0,0,0,0|2,0,0]=4 3983 B10R1.4 CNCc1cnccc1Cl 270004a_106832991635_100000050567 [1,1,0,0,0,0|2,0,0]=4 3984 B10R1.4 CNCc1ncccc1Br 207a_100102657272_100011934733 [1,1,0,0,0,0|0,0,0]=2 3985 B10R1.4 CNCc1ncccc1Br 2230a_106832991635_100025702911 [1,1,0,0,0,0|0,0,0]=2 3986 B10R1.4 CNCc1ncccc1Br 270004a_106832991635_100011934733 [1,1,0,0,0,0|0,0,0]=2 3987 B10R1.4 CNCc1ncccc1Br 34a_100102657272_100025702911 [1,1,0,0,0,0|0,0,0]=2 3988 B10R1.4 CNCc1ncccc1Br 7a_106832991635_100025702911 [1,1,0,0,0,0|0,0,0]=2 3989 B10R1.4 CNCc1ncccc1C 207a_100102657272_100000698913 [1,1,0,0,0,0|0,0,0]=2 3990 B10R1.4 CNCc1ncccc1C 2230a_106832991635_100000696600 [1,1,0,0,0,0|0,0,0]=2 3991 B10R1.4 CNCc1ncccc1C 270004a_106832991635_100000698913 [1,1,0,0,0,0|0,0,0]=2 3992 B10R1.4 CNCc1ncccc1C 34a_100011223789_200000210301 [1,1,0,0,0,0|0,0,0]=2 3993 B10R1.4 CNCc1ncccc1C 34a_100102657272_100000696600 [1,1,0,0,0,0|0,0,0]=2 3994 B10R1.4 CNCc1ncccc1C 7a_106832991635_100000696600 [1,1,0,0,0,0|0,0,0]=2 3995 B10R1.4 CNCc1ncccc1Cl 207a_100102657272_100012001307 [1,1,0,0,0,0|0,0,0]=2 3996 B10R1.4 CNCc1ncccc1Cl 2230a_100015189233_200000210301 [1,1,0,0,0,0|0,0,0]=2 3997 B10R1.4 CNCc1ncccc1Cl 2230a_106832991635_100000099807 [1,1,0,0,0,0|0,0,0]=2 3998 B10R1.4 CNCc1ncccc1Cl 270004a_106832991635_100012001307 [1,1,0,0,0,0|0,0,0]=2 3999 B10R1.4 CNCc1ncccc1Cl 7a_106832991635_100000099807 [1,1,0,0,0,0|0,0,0]=2 4000 B10R1.4 CNCc1ncccc1F 207a_100102657272_100011934734 [1,1,0,0,0,0|0,0,0]=2 4001 B10R1.4 CNCc1ncccc1F 2230a_106832991635_100000104219 [1,1,0,0,0,0|0,0,0]=2 4002 B10R1.4 CNCc1ncccc1F 270004a_106832991635_100011934734 [1,1,0,0,0,0|0,0,0]=2 4003 B10R1.4 CNCc1ncccc1F 34a_100000690088_200000210301 [1,1,0,0,0,0|0,0,0]=2 4004 B10R1.4 CNCc1ncccc1F 34a_100102657272_100000104219 [1,1,0,0,0,0|0,0,0]=2 4005 B10R1.4 CNCc1ncccc1F 7a_106832991635_100000104219 [1,1,0,0,0,0|0,0,0]=2 4006 B10R1.4 CNCc1ncccc1O 34a_100102657272_200020655725 [1,1,0,0,0,0|0,0,0]=2 4007 B10R1.4 CNCc1ncccc1O 7a_106832991635_200020655725 [1,1,0,0,0,0|0,0,0]=2 4008 B10R1.4 CNCc1nccnc1C 2230a_100020641712_200000210301 [1,1,0,0,0,0|1,0,0]=3 4009 B10R1.4 CNCc1nccnc1C 270004a_106832991635_100000050726 [1,1,0,0,0,0|1,0,0]=3 4010 B10R1.4 CNCc1nccnc1C 34a_100020641712_200000210301 [1,1,0,0,0,0|1,0,0]=3 4011 B10R1.4 CNCc1nccnc1Cl 2230a_100000729963_200000210301 [1,1,0,0,0,0|1,0,0]=3 4012 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [1,1,0,0,0,0|2,0,0]=4 4013 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [1,1,0,0,0,0|2,0,0]=4 4014 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [1,1,0,0,0,0|2,0,0]=4 4015 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,1,0,0,0,0|2,0,0]=4 4016 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,1,0,0,0,0|2,0,0]=4 4017 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,1,0,0,0,0|2,0,0]=4 4018 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [1,1,0,0,0,0|2,0,0]=4 4019 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [1,1,0,0,0,0|2,0,0]=4 4020 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [1,1,0,0,0,0|2,0,0]=4 4021 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [1,1,0,0,0,0|2,0,0]=4 4022 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [1,1,0,0,0,0|2,0,0]=4 4023 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [1,1,0,0,0,0|2,0,0]=4 4024 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [1,1,0,0,0,0|2,0,0]=4 4025 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [1,1,0,0,0,0|2,0,0]=4 4026 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [1,1,0,0,0,0|2,0,0]=4 4027 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [1,1,0,0,0,0|2,0,0]=4 4028 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [1,1,0,0,0,0|2,0,0]=4 4029 B10R1.4 COCc1ncccc1Br 34a_100011996772_200000210301 [1,1,0,0,0,0|1,0,0]=3 4030 B10R1.4 COCc1ncccc1Br 34a_100138415774_100025702911 [1,1,0,0,0,0|1,0,0]=3 4031 B10R1.4 COCc1ncccc1C 34a_100000698912_200000210301 [1,1,0,0,0,0|1,0,0]=3 4032 B10R1.4 COCc1ncccc1C 34a_100138415774_100000696600 [1,1,0,0,0,0|1,0,0]=3 4033 B10R1.4 COCc1ncccc1Cl 34a_100012002383_200000210301 [1,1,0,0,0,0|1,0,0]=3 4034 B10R1.4 COCc1ncccc1F 34a_100011934865_200000210301 [1,1,0,0,0,0|1,0,0]=3 4035 B10R1.4 COCc1ncccc1F 34a_100138415774_100000104219 [1,1,0,0,0,0|1,0,0]=3 4036 B10R1.4 COCc1ncccc1N 34a_114873767017_200000210301 [1,1,0,0,0,0|1,0,0]=3 4037 B10R1.4 COCc1ncccc1O 34a_100138415774_200020655725 [1,1,0,0,0,0|1,0,0]=3 4038 B10R1.4 COCc1nccnc1Cl 34a_100000057004_200000210301 [1,1,0,0,0,0|2,0,0]=4 4039 B10R1.4 CSCc1ccccc1Br 62a_100000184730_200000210301 [1,1,0,0,0,0|2,0,0]=4 4040 B10R1.4 CSCc1ccccc1Br 62a_200000210301_100000184730 [1,1,0,0,0,0|2,0,0]=4 4041 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [1,1,0,0,0,0|2,0,0]=4 4042 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [1,1,0,0,0,0|2,0,0]=4 4043 B10R1.4 CSCc1ccccc1Cl 62a_100000187162_200000210301 [1,1,0,0,0,0|2,0,0]=4 4044 B10R1.4 CSCc1ccccc1Cl 62a_200000210301_100000187162 [1,1,0,0,0,0|2,0,0]=4 4045 B10R1.4 CSCc1ccccc1F 62a_100000211605_200000210301 [1,1,0,0,0,0|2,0,0]=4 4046 B10R1.4 CSCc1ccccc1F 62a_200000210301_100000211605 [1,1,0,0,0,0|2,0,0]=4 4047 B10R1.4 CSCc1ccccc1I 62a_100011216222_200000210301 [1,1,0,0,0,0|2,0,0]=4 4048 B10R1.4 CSCc1ccccc1I 62a_200000210301_100011216222 [1,1,0,0,0,0|2,0,0]=4 4049 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [1,1,0,0,0,0|2,0,0]=4 4050 B10R1.4 CSCc1ncccc1Br 62a_100025702911_200000210301 [1,1,0,0,0,0|1,0,0]=3 4051 B10R1.4 CSCc1ncccc1Br 62a_200000210301_100025702911 [1,1,0,0,0,0|1,0,0]=3 4052 B10R1.4 CSCc1ncccc1C 62a_100000696600_200000210301 [1,1,0,0,0,0|1,0,0]=3 4053 B10R1.4 CSCc1ncccc1C 62a_200000210301_100000696600 [1,1,0,0,0,0|1,0,0]=3 4054 B10R1.4 CSCc1ncccc1Cl 62a_100000099807_200000210301 [1,1,0,0,0,0|1,0,0]=3 4055 B10R1.4 CSCc1ncccc1Cl 62a_200000210301_100000099807 [1,1,0,0,0,0|1,0,0]=3 4056 B10R1.4 CSCc1ncccc1F 62a_100000104219_200000210301 [1,1,0,0,0,0|1,0,0]=3 4057 B10R1.4 CSCc1ncccc1F 62a_200000210301_100000104219 [1,1,0,0,0,0|1,0,0]=3 4058 B10R1.4 CSCc1ncccc1O 62a_200000210301_200020655725 [1,1,0,0,0,0|1,0,0]=3 4059 B10R1.4 CSCc1ncccc1O 62a_200020655725_200000210301 [1,1,0,0,0,0|1,0,0]=3 4060 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,1,0,0,0,0|1,0,0]=3 4061 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,1,0,0,0,0|2,0,0]=4 4062 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,1,0,0,0,0|2,0,0]=4 4063 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [1,1,0,0,0,0|2,0,0]=4 4064 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [1,1,0,0,0,0|2,0,0]=4 4065 B10R1.4 Cc1cccnc1CN[13CH3] 34a_100011223789_200025704644 [1,1,0,0,0,0|0,0,0]=2 4066 B10R1.4 Cc1cccnc1CO[13CH3] 34a_100000698912_200025704644 [1,1,0,0,0,0|1,0,0]=3 4067 B10R1.4 Cc1cccnc1CS[13CH3] 62a_100000696600_200025704644 [1,1,0,0,0,0|1,0,0]=3 4068 B10R1.4 Cc1cccnc1CS[13CH3] 62a_200025704644_100000696600 [1,1,0,0,0,0|1,0,0]=3 4069 B10R1.4 Cc1cccnc1SCF 62a_100000751373_100015361967 [1,1,0,0,0,0|2,0,0]=4 4070 B10R1.4 Cc1cccnc1SCF 62a_100015361967_100000751373 [1,1,0,0,0,0|2,0,0]=4 4071 B10R1.4 Cc1nccnc1CN[13CH3] 2230a_100020641712_200025704644 [1,1,0,0,0,0|1,0,0]=3 4072 B10R1.4 Cc1nccnc1CN[13CH3] 34a_100020641712_200025704644 [1,1,0,0,0,0|1,0,0]=3 4073 B10R1.4 FCOc1ncccc1Cl 34a_100011290957_100015361967 [1,1,0,0,0,0|2,0,0]=4 4074 B10R1.4 FCOc1ncccc1F 34a_100011219419_100015361967 [1,1,0,0,0,0|2,0,0]=4 4075 B10R1.4 FCSc1ncccc1Br 62a_100000696092_100015361967 [1,1,0,0,0,0|2,0,0]=4 4076 B10R1.4 FCSc1ncccc1Br 62a_100015361967_100000696092 [1,1,0,0,0,0|2,0,0]=4 4077 B10R1.4 FCSc1ncccc1Cl 62a_100011356963_100015361967 [1,1,0,0,0,0|2,0,0]=4 4078 B10R1.4 FCSc1ncccc1Cl 62a_100015361967_100011356963 [1,1,0,0,0,0|2,0,0]=4 4079 B10R1.4 FCSc1ncccc1F 62a_100000685392_100015361967 [1,1,0,0,0,0|2,0,0]=4 4080 B10R1.4 FCSc1ncccc1F 62a_100015361967_100000685392 [1,1,0,0,0,0|2,0,0]=4 4081 B10R1.4 N#CCc1ncccc1O 271570a_203496583355_100011824415 [1,1,0,0,0,0|0,0,2]=4 4082 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [1,1,0,0,0,0|1,0,0]=3 4083 B10R1.4 NNCc1ccccc1O 271570a_203496583355_200016993956 [1,1,0,0,0,0|2,0,0]=4 4084 B10R1.4 Nc1cccnc1OCF 34a_100000746358_100015361967 [1,1,0,0,0,0|2,0,0]=4 4085 B10R1.4 Nc1cccnc1SCF 62a_100000688686_100015361967 [1,1,0,0,0,0|2,0,0]=4 4086 B10R1.4 Nc1cccnc1SCF 62a_100015361967_100000688686 [1,1,0,0,0,0|2,0,0]=4 4087 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [1,1,0,0,0,0|2,0,0]=4 4088 B10R1.4 Oc1cccnc1SCF 62a_100000034122_100015361967 [1,1,0,0,0,0|2,0,0]=4 4089 B10R1.4 Oc1cccnc1SCF 62a_100015361967_100000034122 [1,1,0,0,0,0|2,0,0]=4 4090 B10R1.4 [13CH3]NCc1ccccc1Br 2230a_100000689332_200025704644 [1,1,0,0,0,0|1,0,0]=3 4091 B10R1.4 [13CH3]NCc1ccccc1Br 34a_100000689332_200025704644 [1,1,0,0,0,0|1,0,0]=3 4092 B10R1.4 [13CH3]NCc1ccccc1Cl 2230a_100000174879_200025704644 [1,1,0,0,0,0|1,0,0]=3 4093 B10R1.4 [13CH3]NCc1ccccc1Cl 34a_100000174879_200025704644 [1,1,0,0,0,0|1,0,0]=3 4094 B10R1.4 [13CH3]NCc1ccccc1F 34a_100000174869_200025704644 [1,1,0,0,0,0|1,0,0]=3 4095 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [1,1,0,0,0,0|1,0,0]=3 4096 B10R1.4 [13CH3]NCc1cccnc1Br 2230a_100009818023_200025704644 [1,1,0,0,0,0|2,0,0]=4 4097 B10R1.4 [13CH3]NCc1cccnc1Br 34a_100009818023_200025704644 [1,1,0,0,0,0|2,0,0]=4 4098 B10R1.4 [13CH3]NCc1cccnc1Cl 2230a_100015189234_200025704644 [1,1,0,0,0,0|2,0,0]=4 4099 B10R1.4 [13CH3]NCc1cccnc1Cl 34a_100015189234_200025704644 [1,1,0,0,0,0|2,0,0]=4 4100 B10R1.4 [13CH3]NCc1cccnc1F 34a_100000724633_200025704644 [1,1,0,0,0,0|2,0,0]=4 4101 B10R1.4 [13CH3]NCc1ccncc1F 34a_100011935246_200025704644 [1,1,0,0,0,0|2,0,0]=4 4102 B10R1.4 [13CH3]NCc1ncccc1Cl 2230a_100015189233_200025704644 [1,1,0,0,0,0|0,0,0]=2 4103 B10R1.4 [13CH3]NCc1ncccc1F 34a_100000690088_200025704644 [1,1,0,0,0,0|0,0,0]=2 4104 B10R1.4 [13CH3]NCc1nccnc1Cl 2230a_100000729963_200025704644 [1,1,0,0,0,0|1,0,0]=3 4105 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [1,1,0,0,0,0|2,0,0]=4 4106 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [1,1,0,0,0,0|2,0,0]=4 4107 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [1,1,0,0,0,0|2,0,0]=4 4108 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [1,1,0,0,0,0|2,0,0]=4 4109 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [1,1,0,0,0,0|2,0,0]=4 4110 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [1,1,0,0,0,0|2,0,0]=4 4111 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [1,1,0,0,0,0|2,0,0]=4 4112 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [1,1,0,0,0,0|2,0,0]=4 4113 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [1,1,0,0,0,0|2,0,0]=4 4114 B10R1.4 [13CH3]OCc1ncccc1Br 34a_100011996772_200025704644 [1,1,0,0,0,0|1,0,0]=3 4115 B10R1.4 [13CH3]OCc1ncccc1Cl 34a_100012002383_200025704644 [1,1,0,0,0,0|1,0,0]=3 4116 B10R1.4 [13CH3]OCc1ncccc1F 34a_100011934865_200025704644 [1,1,0,0,0,0|1,0,0]=3 4117 B10R1.4 [13CH3]OCc1ncccc1N 34a_114873767017_200025704644 [1,1,0,0,0,0|1,0,0]=3 4118 B10R1.4 [13CH3]OCc1nccnc1Cl 34a_100000057004_200025704644 [1,1,0,0,0,0|2,0,0]=4 4119 B10R1.4 [13CH3]SCc1ccccc1Br 62a_100000184730_200025704644 [1,1,0,0,0,0|2,0,0]=4 4120 B10R1.4 [13CH3]SCc1ccccc1Br 62a_200025704644_100000184730 [1,1,0,0,0,0|2,0,0]=4 4121 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_100000187162_200025704644 [1,1,0,0,0,0|2,0,0]=4 4122 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_200025704644_100000187162 [1,1,0,0,0,0|2,0,0]=4 4123 B10R1.4 [13CH3]SCc1ccccc1F 62a_100000211605_200025704644 [1,1,0,0,0,0|2,0,0]=4 4124 B10R1.4 [13CH3]SCc1ccccc1F 62a_200025704644_100000211605 [1,1,0,0,0,0|2,0,0]=4 4125 B10R1.4 [13CH3]SCc1ccccc1I 62a_100011216222_200025704644 [1,1,0,0,0,0|2,0,0]=4 4126 B10R1.4 [13CH3]SCc1ccccc1I 62a_200025704644_100011216222 [1,1,0,0,0,0|2,0,0]=4 4127 B10R1.4 [13CH3]SCc1ncccc1Br 62a_100025702911_200025704644 [1,1,0,0,0,0|1,0,0]=3 4128 B10R1.4 [13CH3]SCc1ncccc1Br 62a_200025704644_100025702911 [1,1,0,0,0,0|1,0,0]=3 4129 B10R1.4 [13CH3]SCc1ncccc1Cl 62a_100000099807_200025704644 [1,1,0,0,0,0|1,0,0]=3 4130 B10R1.4 [13CH3]SCc1ncccc1Cl 62a_200025704644_100000099807 [1,1,0,0,0,0|1,0,0]=3 4131 B10R1.4 [13CH3]SCc1ncccc1F 62a_100000104219_200025704644 [1,1,0,0,0,0|1,0,0]=3 4132 B10R1.4 [13CH3]SCc1ncccc1F 62a_200025704644_100000104219 [1,1,0,0,0,0|1,0,0]=3 4133 B10R1.4 [13CH3]SCc1ncccc1O 62a_200020655725_200025704644 [1,1,0,0,0,0|1,0,0]=3 4134 B10R1.4 [13CH3]SCc1ncccc1O 62a_200025704644_200020655725 [1,1,0,0,0,0|1,0,0]=3 4135 B10R1.10 CC=Cc1cc(ccn1)C 271570a_100016259895_100000750283 [1,1,0,0,0,0|0,0,2]=4 4136 B10R1.10 CC=Cc1cc(ccn1)Cl 271570a_100016259895_100010167805 [1,1,0,0,0,0|0,0,2]=4 4137 B10R1.10 CC=Cc1cc(ccn1)F 271570a_100016259895_100009817058 [1,1,0,0,0,0|0,0,2]=4 4138 B10R1.10 CC=Cc1cc(ccn1)N 271570a_100016259895_100009814236 [1,1,0,0,0,0|0,0,2]=4 4139 B10R1.10 CC=Cc1cc(ccn1)O 271570a_100016259895_100000762945 [1,1,0,0,0,0|0,0,2]=4 4140 B10R1.10 CC=Cc1cccc(n1)Br 271570a_100016259895_100000684672 [1,1,0,0,0,0|0,0,2]=4 4141 B10R1.10 CC=Cc1cccc(n1)C 271570a_100016259895_100000742759 [1,1,0,0,0,0|0,0,2]=4 4142 B10R1.10 CC=Cc1cccc(n1)F 271570a_100016259895_100009815982 [1,1,0,0,0,0|0,0,2]=4 4143 B10R1.10 CC=Cc1cccc(n1)N 271570a_100016259895_100000740741 [1,1,0,0,0,0|0,0,2]=4 4144 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [1,1,0,0,0,0|1,0,0]=3 4145 B10R1.10 CCNc1c[n+](ccn1)[O-] 27a_100015525214_100009880115 [1,1,0,0,0,0|2,0,0]=4 4146 B10R1.10 CCNc1cc(ccn1)F 27a_100015525214_100000764206 [1,1,0,0,0,0|1,0,0]=3 4147 B10R1.10 CCNc1cc(cnn1)C 27a_100015525214_100000070100 [1,1,0,0,0,0|2,0,0]=4 4148 B10R1.10 CCNc1cc(ncn1)C 27a_100015525214_100000744208 [1,1,0,0,0,0|2,0,0]=4 4149 B10R1.10 CCNc1cc(ncn1)F 27a_100015525214_200009880791 [1,1,0,0,0,0|2,0,0]=4 4150 B10R1.10 CCNc1cc(ncn1)N 27a_100015525214_100000701291 [1,1,0,0,0,0|2,0,0]=4 4151 B10R1.10 CCNc1cc(ncn1)O 271570a_203496583355_200000242512 [1,1,0,0,0,0|2,0,0]=4 4152 B10R1.10 CCNc1cc(ncn1)O 27a_100015525214_100000765262 [1,1,0,0,0,0|2,0,0]=4 4153 B10R1.10 CCNc1cc[nH]c(=O)n1 27a_100015525214_200000134032 [1,1,0,0,0,0|2,0,0]=4 4154 B10R1.10 CCNc1cccc(c1)Br 34a_100000210019_100000210202 [1,1,0,0,0,0|2,0,0]=4 4155 B10R1.10 CCNc1cccc(c1)C 2230a_100000188690_100000210202 [1,1,0,0,0,0|2,0,0]=4 4156 B10R1.10 CCNc1cccc(c1)C 34a_100000188690_100000210202 [1,1,0,0,0,0|2,0,0]=4 4157 B10R1.10 CCNc1cccc(c1)Cl 34a_100000185859_100000210202 [1,1,0,0,0,0|2,0,0]=4 4158 B10R1.10 CCNc1cccc(c1)F 34a_100000210047_100000210202 [1,1,0,0,0,0|2,0,0]=4 4159 B10R1.10 CCNc1cccc(c1)I 34a_100000211102_100000210202 [1,1,0,0,0,0|2,0,0]=4 4160 B10R1.10 CCNc1cccc(c1)O 271570a_203496583355_100000738899 [1,1,0,0,0,0|2,0,0]=4 4161 B10R1.10 CCNc1cccc(c1)O 34a_100000210217_100000210202 [1,1,0,0,0,0|2,0,0]=4 4162 B10R1.10 CCNc1cccc(n1)F 27a_100015525214_100009815982 [1,1,0,0,0,0|1,0,0]=3 4163 B10R1.10 CCNc1cccc(n1)O 271570a_203496583355_200020678610 [1,1,0,0,0,0|1,0,0]=3 4164 B10R1.10 CCNc1ccnc(n1)C 27a_100015525214_100000749937 [1,1,0,0,0,0|2,0,0]=4 4165 B10R1.10 CCNc1ccnc(n1)N 27a_100015525214_100000055538 [1,1,0,0,0,0|2,0,0]=4 4166 B10R1.10 CCNc1ccnc(n1)O 271570a_203496583355_100011649949 [1,1,0,0,0,0|2,0,0]=4 4167 B10R1.10 CCNc1cncc(n1)C 27a_100015525214_100000754123 [1,1,0,0,0,0|2,0,0]=4 4168 B10R1.10 CCNc1cncc(n1)Cl 27a_100015525214_100010892449 [1,1,0,0,0,0|2,0,0]=4 4169 B10R1.10 CCNc1cncc(n1)F 27a_100015525214_200009863489 [1,1,0,0,0,0|2,0,0]=4 4170 B10R1.10 CCNc1nccc(n1)C 27a_100015525214_100000750684 [1,1,0,0,0,0|2,0,0]=4 4171 B10R1.10 CCNc1nccc(n1)N 27a_100015525214_100000757536 [1,1,0,0,0,0|2,0,0]=4 4172 B10R1.10 CCNc1nccc(n1)O 271570a_203496583355_100012002086 [1,1,0,0,0,0|2,0,0]=4 4173 B10R1.10 CCNc1nccc(n1)O 27a_100015525214_100011649813 [1,1,0,0,0,0|2,0,0]=4 4174 B10R1.10 CCOc1cc(ccn1)O 271570a_203496583355_100009995528 [1,1,0,0,0,0|1,0,0]=3 4175 B10R1.10 CCOc1cc(cnn1)C 34a_100000766097_100000210202 [1,1,0,0,0,0|2,0,0]=4 4176 B10R1.10 CCOc1cc(ncn1)O 271570a_203496583355_100000765465 [1,1,0,0,0,0|2,0,0]=4 4177 B10R1.10 CCOc1cccc(=O)[nH]1 34a_100000033347_100000210202 [1,1,0,0,0,0|1,0,1]=4 4178 B10R1.10 CCOc1cccc(c1)Br 34a_100000210342_100000210202 [1,1,0,0,0,0|2,0,0]=4 4179 B10R1.10 CCOc1cccc(c1)Br 7a_100000210342_100000210202 [1,1,0,0,0,0|2,0,0]=4 4180 B10R1.10 CCOc1cccc(c1)C 34a_100000210337_100000210202 [1,1,0,0,0,0|2,0,0]=4 4181 B10R1.10 CCOc1cccc(c1)C 7a_100000210337_100000210202 [1,1,0,0,0,0|2,0,0]=4 4182 B10R1.10 CCOc1cccc(c1)Cl 34a_100000210295_100000210202 [1,1,0,0,0,0|2,0,0]=4 4183 B10R1.10 CCOc1cccc(c1)Cl 7a_100000210295_100000210202 [1,1,0,0,0,0|2,0,0]=4 4184 B10R1.10 CCOc1cccc(c1)F 34a_100000210426_100000210202 [1,1,0,0,0,0|2,0,0]=4 4185 B10R1.10 CCOc1cccc(c1)F 7a_100000210426_100000210202 [1,1,0,0,0,0|2,0,0]=4 4186 B10R1.10 CCOc1cccc(c1)I 34a_100000211634_100000210202 [1,1,0,0,0,0|2,0,0]=4 4187 B10R1.10 CCOc1cccc(c1)I 7a_100000211634_100000210202 [1,1,0,0,0,0|2,0,0]=4 4188 B10R1.10 CCOc1cccc(c1)N 34a_100000210217_100000210202 [1,1,0,0,0,0|2,0,0]=4 4189 B10R1.10 CCOc1cccc(c1)O 271570a_203496583355_100000170002 [1,1,0,0,0,0|2,0,0]=4 4190 B10R1.10 CCOc1cccc(n1)F 34a_100011432558_100000210202 [1,1,0,0,0,0|1,0,0]=3 4191 B10R1.10 CCOc1cccc(n1)O 271570a_203496583355_100000752924 [1,1,0,0,0,0|1,0,0]=3 4192 B10R1.10 CCOc1ccnc(n1)O 271570a_203496583355_100011649779 [1,1,0,0,0,0|2,0,0]=4 4193 B10R1.10 CCOc1cncc(n1)O 271570a_203496583355_100000757043 [1,1,0,0,0,0|2,0,0]=4 4194 B10R1.10 CCSc1c[n+](ccn1)[O-] 62a_100000210202_100009880115 [1,1,0,0,0,0|2,0,0]=4 4195 B10R1.10 CCSc1cc(=O)[nH]cn1 62a_100012002517_100000210202 [1,1,0,0,0,0|2,0,0]=4 4196 B10R1.10 CCSc1cc(=O)cc[nH]1 62a_100009817434_100000210202 [1,1,0,0,0,0|1,0,1]=4 4197 B10R1.10 CCSc1cc(ccn1)C 62a_100000210202_100000750283 [1,1,0,0,0,0|1,0,0]=3 4198 B10R1.10 CCSc1cc(ccn1)C 62a_100000750283_100000210202 [1,1,0,0,0,0|1,0,0]=3 4199 B10R1.10 CCSc1cc(ccn1)Cl 62a_100000210202_100010167805 [1,1,0,0,0,0|1,0,0]=3 4200 B10R1.10 CCSc1cc(ccn1)Cl 62a_100010167805_100000210202 [1,1,0,0,0,0|1,0,0]=3 4201 B10R1.10 CCSc1cc(ccn1)F 62a_100000210202_100000764206 [1,1,0,0,0,0|1,0,0]=3 4202 B10R1.10 CCSc1cc(ccn1)F 62a_100000764206_100000210202 [1,1,0,0,0,0|1,0,0]=3 4203 B10R1.10 CCSc1cc(ccn1)N 62a_100000210202_100009814236 [1,1,0,0,0,0|1,0,0]=3 4204 B10R1.10 CCSc1cc(ccn1)N 62a_100009814236_100000210202 [1,1,0,0,0,0|1,0,0]=3 4205 B10R1.10 CCSc1cc(ccn1)O 62a_100000210202_100000762945 [1,1,0,0,0,0|1,0,0]=3 4206 B10R1.10 CCSc1cc(cnn1)C 62a_100000070100_100000210202 [1,1,0,0,0,0|2,0,0]=4 4207 B10R1.10 CCSc1cc(cnn1)C 62a_100000210202_100000070100 [1,1,0,0,0,0|2,0,0]=4 4208 B10R1.10 CCSc1cc(cnn1)N 62a_100000210202_100011996757 [1,1,0,0,0,0|2,0,0]=4 4209 B10R1.10 CCSc1cc(cnn1)N 62a_100011996757_100000210202 [1,1,0,0,0,0|2,0,0]=4 4210 B10R1.10 CCSc1cc(cnn1)O 62a_100000210202_200010734679 [1,1,0,0,0,0|2,0,0]=4 4211 B10R1.10 CCSc1cc(ncn1)C 62a_100000210202_100000744208 [1,1,0,0,0,0|2,0,0]=4 4212 B10R1.10 CCSc1cc(ncn1)C 62a_100000744208_100000210202 [1,1,0,0,0,0|2,0,0]=4 4213 B10R1.10 CCSc1cc(ncn1)Cl 62a_100000210202_100010161198 [1,1,0,0,0,0|2,0,0]=4 4214 B10R1.10 CCSc1cc(ncn1)Cl 62a_100010161198_100000210202 [1,1,0,0,0,0|2,0,0]=4 4215 B10R1.10 CCSc1cc(ncn1)F 62a_100000210202_200009880791 [1,1,0,0,0,0|2,0,0]=4 4216 B10R1.10 CCSc1cc(ncn1)F 62a_200009880791_100000210202 [1,1,0,0,0,0|2,0,0]=4 4217 B10R1.10 CCSc1cc(ncn1)N 62a_100000210202_100000701291 [1,1,0,0,0,0|2,0,0]=4 4218 B10R1.10 CCSc1cc(ncn1)N 62a_100000701291_100000210202 [1,1,0,0,0,0|2,0,0]=4 4219 B10R1.10 CCSc1cc(ncn1)O 62a_100000210202_100000765262 [1,1,0,0,0,0|2,0,0]=4 4220 B10R1.10 CCSc1cc[nH]c(=O)n1 62a_100000210202_200000134032 [1,1,0,0,0,0|2,0,0]=4 4221 B10R1.10 CCSc1cccc(=O)[nH]1 62a_100000210202_100000752884 [1,1,0,0,0,0|1,0,1]=4 4222 B10R1.10 CCSc1cccc(c1)Br 62a_100000210202_100000691529 [1,1,0,0,0,0|2,0,0]=4 4223 B10R1.10 CCSc1cccc(c1)Br 62a_100000691529_100000210202 [1,1,0,0,0,0|2,0,0]=4 4224 B10R1.10 CCSc1cccc(c1)C 62a_100000210202_100011215228 [1,1,0,0,0,0|2,0,0]=4 4225 B10R1.10 CCSc1cccc(c1)C 62a_100011215228_100000210202 [1,1,0,0,0,0|2,0,0]=4 4226 B10R1.10 CCSc1cccc(c1)Cl 62a_100000210202_100000699651 [1,1,0,0,0,0|2,0,0]=4 4227 B10R1.10 CCSc1cccc(c1)Cl 62a_100000699651_100000210202 [1,1,0,0,0,0|2,0,0]=4 4228 B10R1.10 CCSc1cccc(c1)F 62a_100000210202_100000685547 [1,1,0,0,0,0|2,0,0]=4 4229 B10R1.10 CCSc1cccc(c1)F 62a_100000685547_100000210202 [1,1,0,0,0,0|2,0,0]=4 4230 B10R1.10 CCSc1cccc(c1)N 62a_100000210019_100000210202 [1,1,0,0,0,0|2,0,0]=4 4231 B10R1.10 CCSc1cccc(c1)N 62a_100000210202_100000210019 [1,1,0,0,0,0|2,0,0]=4 4232 B10R1.10 CCSc1cccc(c1)O 271570a_203496583355_100000703699 [1,1,0,0,0,0|2,0,0]=4 4233 B10R1.10 CCSc1cccc(c1)O 62a_100000210202_100000211634 [1,1,0,0,0,0|2,0,0]=4 4234 B10R1.10 CCSc1cccc(c1)[S] 62a_100000210202_114929384022 [1,1,0,0,0,0|2,0,0]=4 4235 B10R1.10 CCSc1cccc(c1)[S] 62a_114929384022_100000210202 [1,1,0,0,0,0|2,0,0]=4 4236 B10R1.10 CCSc1cccc(n1)Br 62a_100000210202_100000684672 [1,1,0,0,0,0|1,0,0]=3 4237 B10R1.10 CCSc1cccc(n1)Br 62a_100000684672_100000210202 [1,1,0,0,0,0|1,0,0]=3 4238 B10R1.10 CCSc1cccc(n1)C 62a_100000210202_100000742759 [1,1,0,0,0,0|1,0,0]=3 4239 B10R1.10 CCSc1cccc(n1)C 62a_100000742759_100000210202 [1,1,0,0,0,0|1,0,0]=3 4240 B10R1.10 CCSc1cccc(n1)Cl 62a_100000051397_100000210202 [1,1,0,0,0,0|1,0,0]=3 4241 B10R1.10 CCSc1cccc(n1)Cl 62a_100000210202_100000051397 [1,1,0,0,0,0|1,0,0]=3 4242 B10R1.10 CCSc1cccc(n1)F 62a_100000210202_100009815982 [1,1,0,0,0,0|1,0,0]=3 4243 B10R1.10 CCSc1cccc(n1)F 62a_100009815982_100000210202 [1,1,0,0,0,0|1,0,0]=3 4244 B10R1.10 CCSc1cccc(n1)N 62a_100000210202_100000740741 [1,1,0,0,0,0|1,0,0]=3 4245 B10R1.10 CCSc1cccc(n1)N 62a_100000740741_100000210202 [1,1,0,0,0,0|1,0,0]=3 4246 B10R1.10 CCSc1ccnc(n1)C 62a_100000210202_100000749937 [1,1,0,0,0,0|2,0,0]=4 4247 B10R1.10 CCSc1ccnc(n1)C 62a_100000749937_100000210202 [1,1,0,0,0,0|2,0,0]=4 4248 B10R1.10 CCSc1ccnc(n1)Cl 62a_100000210202_100010154678 [1,1,0,0,0,0|2,0,0]=4 4249 B10R1.10 CCSc1ccnc(n1)Cl 62a_100010154678_100000210202 [1,1,0,0,0,0|2,0,0]=4 4250 B10R1.10 CCSc1ccnc(n1)N 62a_100000055538_100000210202 [1,1,0,0,0,0|2,0,0]=4 4251 B10R1.10 CCSc1ccnc(n1)N 62a_100000210202_100000055538 [1,1,0,0,0,0|2,0,0]=4 4252 B10R1.10 CCSc1cncc(n1)C 62a_100000210202_100000754123 [1,1,0,0,0,0|2,0,0]=4 4253 B10R1.10 CCSc1cncc(n1)C 62a_100000754123_100000210202 [1,1,0,0,0,0|2,0,0]=4 4254 B10R1.10 CCSc1cncc(n1)Cl 62a_100000210202_100010892449 [1,1,0,0,0,0|2,0,0]=4 4255 B10R1.10 CCSc1cncc(n1)Cl 62a_100010892449_100000210202 [1,1,0,0,0,0|2,0,0]=4 4256 B10R1.10 CCSc1cncc(n1)F 62a_100000210202_200009863489 [1,1,0,0,0,0|2,0,0]=4 4257 B10R1.10 CCSc1cncc(n1)F 62a_200009863489_100000210202 [1,1,0,0,0,0|2,0,0]=4 4258 B10R1.10 CCSc1cncc(n1)N 62a_100000210202_100000747728 [1,1,0,0,0,0|2,0,0]=4 4259 B10R1.10 CCSc1cncc(n1)N 62a_100000747728_100000210202 [1,1,0,0,0,0|2,0,0]=4 4260 B10R1.10 CCSc1cncc(n1)O 62a_100000210202_100011269956 [1,1,0,0,0,0|2,0,0]=4 4261 B10R1.10 CCSc1nccc(n1)C 62a_100000210202_100011243806 [1,1,0,0,0,0|2,0,0]=4 4262 B10R1.10 CCSc1nccc(n1)C 62a_100011243806_100000210202 [1,1,0,0,0,0|2,0,0]=4 4263 B10R1.10 CCSc1nccc(n1)N 62a_100000210202_100000757536 [1,1,0,0,0,0|2,0,0]=4 4264 B10R1.10 CCSc1nccc(n1)N 62a_100000757536_100000210202 [1,1,0,0,0,0|2,0,0]=4 4265 B10R1.10 CCSc1nccc(n1)O 62a_100000210202_100011649813 [1,1,0,0,0,0|2,0,0]=4 4266 B10R1.10 CNCc1cc(ccn1)Br 2230a_106832991635_100010173614 [1,1,0,0,0,0|0,0,0]=2 4267 B10R1.10 CNCc1cc(ccn1)Br 270004a_106832991635_100009818557 [1,1,0,0,0,0|0,0,0]=2 4268 B10R1.10 CNCc1cc(ccn1)Br 34a_100102657272_100010173614 [1,1,0,0,0,0|0,0,0]=2 4269 B10R1.10 CNCc1cc(ccn1)Br 7a_106832991635_100010173614 [1,1,0,0,0,0|0,0,0]=2 4270 B10R1.10 CNCc1cc(ccn1)C 207a_100102657272_100011361488 [1,1,0,0,0,0|0,0,0]=2 4271 B10R1.10 CNCc1cc(ccn1)C 2230a_106832991635_100000718516 [1,1,0,0,0,0|0,0,0]=2 4272 B10R1.10 CNCc1cc(ccn1)C 270004a_106832991635_100011361488 [1,1,0,0,0,0|0,0,0]=2 4273 B10R1.10 CNCc1cc(ccn1)C 34a_100102657272_100000718516 [1,1,0,0,0,0|0,0,0]=2 4274 B10R1.10 CNCc1cc(ccn1)C 7a_106832991635_100000718516 [1,1,0,0,0,0|0,0,0]=2 4275 B10R1.10 CNCc1cc(ccn1)Cl 2230a_106832991635_100016988179 [1,1,0,0,0,0|0,0,0]=2 4276 B10R1.10 CNCc1cc(ccn1)Cl 270004a_106832991635_100011998288 [1,1,0,0,0,0|0,0,0]=2 4277 B10R1.10 CNCc1cc(ccn1)Cl 34a_100102657272_100016988179 [1,1,0,0,0,0|0,0,0]=2 4278 B10R1.10 CNCc1cc(ccn1)Cl 7a_106832991635_100016988179 [1,1,0,0,0,0|0,0,0]=2 4279 B10R1.10 CNCc1cc(ccn1)O 271570a_203496583355_100102954512 [1,1,0,0,0,0|0,0,0]=2 4280 B10R1.10 CNCc1cccc(=O)[nH]1 207a_100102657272_100011935257 [1,1,0,0,0,0|0,0,1]=3 4281 B10R1.10 CNCc1cccc(=O)[nH]1 2230a_100000696482_200000210301 [1,1,0,0,0,0|0,0,1]=3 4282 B10R1.10 CNCc1cccc(c1)Br 207a_100102657272_100000210085 [1,1,0,0,0,0|1,0,0]=3 4283 B10R1.10 CNCc1cccc(c1)Br 2230a_100000174977_200000210301 [1,1,0,0,0,0|1,0,0]=3 4284 B10R1.10 CNCc1cccc(c1)Br 2230a_106832991635_100000698116 [1,1,0,0,0,0|1,0,0]=3 4285 B10R1.10 CNCc1cccc(c1)Br 26a_100102657272_100000210342 [1,1,0,0,0,0|1,0,0]=3 4286 B10R1.10 CNCc1cccc(c1)Br 270004a_106832991635_100000210085 [1,1,0,0,0,0|1,0,0]=3 4287 B10R1.10 CNCc1cccc(c1)Br 34a_100000174977_200000210301 [1,1,0,0,0,0|1,0,0]=3 4288 B10R1.10 CNCc1cccc(c1)Br 34a_100102657272_100000698116 [1,1,0,0,0,0|1,0,0]=3 4289 B10R1.10 CNCc1cccc(c1)Br 7a_106832991635_100000211773 [1,1,0,0,0,0|1,0,0]=3 4290 B10R1.10 CNCc1cccc(c1)C 207a_100102657272_100000211157 [1,1,0,0,0,0|1,0,0]=3 4291 B10R1.10 CNCc1cccc(c1)C 2230a_100000185548_200000210301 [1,1,0,0,0,0|1,0,0]=3 4292 B10R1.10 CNCc1cccc(c1)C 2230a_106832991635_100000211840 [1,1,0,0,0,0|1,0,0]=3 4293 B10R1.10 CNCc1cccc(c1)C 270004a_106832991635_100000211157 [1,1,0,0,0,0|1,0,0]=3 4294 B10R1.10 CNCc1cccc(c1)C 34a_100000185548_200000210301 [1,1,0,0,0,0|1,0,0]=3 4295 B10R1.10 CNCc1cccc(c1)C 34a_100102657272_100000211840 [1,1,0,0,0,0|1,0,0]=3 4296 B10R1.10 CNCc1cccc(c1)C 7a_106832991635_100000211840 [1,1,0,0,0,0|1,0,0]=3 4297 B10R1.10 CNCc1cccc(c1)Cl 207a_100102657272_100000210801 [1,1,0,0,0,0|1,0,0]=3 4298 B10R1.10 CNCc1cccc(c1)Cl 2230a_100000174878_200000210301 [1,1,0,0,0,0|1,0,0]=3 4299 B10R1.10 CNCc1cccc(c1)Cl 2230a_106832991635_100000181238 [1,1,0,0,0,0|1,0,0]=3 4300 B10R1.10 CNCc1cccc(c1)Cl 270004a_106832991635_100000210801 [1,1,0,0,0,0|1,0,0]=3 4301 B10R1.10 CNCc1cccc(c1)Cl 34a_100000174878_200000210301 [1,1,0,0,0,0|1,0,0]=3 4302 B10R1.10 CNCc1cccc(c1)Cl 34a_100102657272_100000187163 [1,1,0,0,0,0|1,0,0]=3 4303 B10R1.10 CNCc1cccc(c1)Cl 7a_106832991635_100000187163 [1,1,0,0,0,0|1,0,0]=3 4304 B10R1.10 CNCc1cccc(c1)F 207a_100102657272_100000210812 [1,1,0,0,0,0|1,0,0]=3 4305 B10R1.10 CNCc1cccc(c1)F 2230a_100000174948_200000210301 [1,1,0,0,0,0|1,0,0]=3 4306 B10R1.10 CNCc1cccc(c1)F 2230a_106832991635_100000230114 [1,1,0,0,0,0|1,0,0]=3 4307 B10R1.10 CNCc1cccc(c1)F 270004a_106832991635_100000210812 [1,1,0,0,0,0|1,0,0]=3 4308 B10R1.10 CNCc1cccc(c1)F 34a_100000174948_200000210301 [1,1,0,0,0,0|1,0,0]=3 4309 B10R1.10 CNCc1cccc(c1)F 34a_100102657272_100000187166 [1,1,0,0,0,0|1,0,0]=3 4310 B10R1.10 CNCc1cccc(c1)F 7a_106832991635_100000230114 [1,1,0,0,0,0|1,0,0]=3 4311 B10R1.10 CNCc1cccc(c1)I 207a_100102657272_100000014684 [1,1,0,0,0,0|1,0,0]=3 4312 B10R1.10 CNCc1cccc(c1)I 2230a_100000106179_200000210301 [1,1,0,0,0,0|1,0,0]=3 4313 B10R1.10 CNCc1cccc(c1)I 2230a_106832991635_100011218688 [1,1,0,0,0,0|1,0,0]=3 4314 B10R1.10 CNCc1cccc(c1)I 270004a_106832991635_100000014684 [1,1,0,0,0,0|1,0,0]=3 4315 B10R1.10 CNCc1cccc(c1)I 34a_100000106179_200000210301 [1,1,0,0,0,0|1,0,0]=3 4316 B10R1.10 CNCc1cccc(c1)I 34a_100102657272_100011218688 [1,1,0,0,0,0|1,0,0]=3 4317 B10R1.10 CNCc1cccc(c1)I 7a_106832991635_100011218688 [1,1,0,0,0,0|1,0,0]=3 4318 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [1,1,0,0,0,0|1,0,0]=3 4319 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [1,1,0,0,0,0|1,0,0]=3 4320 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [1,1,0,0,0,0|1,0,0]=3 4321 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [1,1,0,0,0,0|1,0,0]=3 4322 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [1,1,0,0,0,0|1,0,0]=3 4323 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [1,1,0,0,0,0|1,0,0]=3 4324 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [1,1,0,0,0,0|1,0,0]=3 4325 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [1,1,0,0,0,0|1,0,0]=3 4326 B10R1.10 CNCc1cccc(n1)Br 2230a_100016987751_200000210301 [1,1,0,0,0,0|0,0,0]=2 4327 B10R1.10 CNCc1cccc(n1)Br 2230a_106832991635_100009889011 [1,1,0,0,0,0|0,0,0]=2 4328 B10R1.10 CNCc1cccc(n1)Br 270004a_106832991635_100000688028 [1,1,0,0,0,0|0,0,0]=2 4329 B10R1.10 CNCc1cccc(n1)Br 34a_100102657272_100009889011 [1,1,0,0,0,0|0,0,0]=2 4330 B10R1.10 CNCc1cccc(n1)Br 7a_106832991635_100009889011 [1,1,0,0,0,0|0,0,0]=2 4331 B10R1.10 CNCc1cccc(n1)C 207a_100102657272_100011215050 [1,1,0,0,0,0|0,0,0]=2 4332 B10R1.10 CNCc1cccc(n1)C 2230a_106832991635_100000757606 [1,1,0,0,0,0|0,0,0]=2 4333 B10R1.10 CNCc1cccc(n1)C 270004a_106832991635_100011215050 [1,1,0,0,0,0|0,0,0]=2 4334 B10R1.10 CNCc1cccc(n1)C 34a_100000701342_200000210301 [1,1,0,0,0,0|0,0,0]=2 4335 B10R1.10 CNCc1cccc(n1)C 34a_100102657272_100000757606 [1,1,0,0,0,0|0,0,0]=2 4336 B10R1.10 CNCc1cccc(n1)C 7a_106832991635_100000757606 [1,1,0,0,0,0|0,0,0]=2 4337 B10R1.10 CNCc1cccc(n1)Cl 2230a_100016990191_200000210301 [1,1,0,0,0,0|0,0,0]=2 4338 B10R1.10 CNCc1cccc(n1)Cl 2230a_106832991635_100000086093 [1,1,0,0,0,0|0,0,0]=2 4339 B10R1.10 CNCc1cccc(n1)Cl 270004a_106832991635_100011361687 [1,1,0,0,0,0|0,0,0]=2 4340 B10R1.10 CNCc1cccc(n1)Cl 34a_100102657272_100000086093 [1,1,0,0,0,0|0,0,0]=2 4341 B10R1.10 CNCc1cccc(n1)Cl 7a_106832991635_100000086093 [1,1,0,0,0,0|0,0,0]=2 4342 B10R1.10 CNCc1cccc(n1)F 2230a_100015188798_200000210301 [1,1,0,0,0,0|0,0,0]=2 4343 B10R1.10 CNCc1cccc(n1)F 2230a_106832991635_100009819644 [1,1,0,0,0,0|0,0,0]=2 4344 B10R1.10 CNCc1cccc(n1)F 270004a_106832991635_100000050434 [1,1,0,0,0,0|0,0,0]=2 4345 B10R1.10 CNCc1cccc(n1)F 34a_100015188798_200000210301 [1,1,0,0,0,0|0,0,0]=2 4346 B10R1.10 CNCc1cccc(n1)F 34a_100102657272_100009819644 [1,1,0,0,0,0|0,0,0]=2 4347 B10R1.10 CNCc1cccc(n1)F 7a_106832991635_100009819644 [1,1,0,0,0,0|0,0,0]=2 4348 B10R1.10 CNCc1cccc(n1)O 271570a_203496583355_106354212997 [1,1,0,0,0,0|0,0,0]=2 4349 B10R1.10 CNCc1ccnc(c1)Br 2230a_100025757509_200000210301 [1,1,0,0,0,0|2,0,0]=4 4350 B10R1.10 CNCc1ccnc(c1)Br 2230a_106832991635_100010243470 [1,1,0,0,0,0|2,0,0]=4 4351 B10R1.10 CNCc1ccnc(c1)Br 270004a_106832991635_100009814634 [1,1,0,0,0,0|2,0,0]=4 4352 B10R1.10 CNCc1ccnc(c1)Br 34a_100025757509_200000210301 [1,1,0,0,0,0|2,0,0]=4 4353 B10R1.10 CNCc1ccnc(c1)Br 34a_100102657272_100010243470 [1,1,0,0,0,0|2,0,0]=4 4354 B10R1.10 CNCc1ccnc(c1)Br 7a_106832991635_100010254460 [1,1,0,0,0,0|2,0,0]=4 4355 B10R1.10 CNCc1ccnc(c1)C 207a_100102657272_100011361630 [1,1,0,0,0,0|2,0,0]=4 4356 B10R1.10 CNCc1ccnc(c1)C 2230a_106832991635_200020672517 [1,1,0,0,0,0|2,0,0]=4 4357 B10R1.10 CNCc1ccnc(c1)C 270004a_106832991635_100011361630 [1,1,0,0,0,0|2,0,0]=4 4358 B10R1.10 CNCc1ccnc(c1)C 34a_100011934566_200000210301 [1,1,0,0,0,0|2,0,0]=4 4359 B10R1.10 CNCc1ccnc(c1)C 34a_100102657272_200020672517 [1,1,0,0,0,0|2,0,0]=4 4360 B10R1.10 CNCc1ccnc(c1)C 7a_106832991635_200020672517 [1,1,0,0,0,0|2,0,0]=4 4361 B10R1.10 CNCc1ccnc(c1)Cl 2230a_100015205668_200000210301 [1,1,0,0,0,0|2,0,0]=4 4362 B10R1.10 CNCc1ccnc(c1)Cl 2230a_106832991635_100000764220 [1,1,0,0,0,0|2,0,0]=4 4363 B10R1.10 CNCc1ccnc(c1)Cl 270004a_106832991635_100011290808 [1,1,0,0,0,0|2,0,0]=4 4364 B10R1.10 CNCc1ccnc(c1)Cl 34a_100015205668_200000210301 [1,1,0,0,0,0|2,0,0]=4 4365 B10R1.10 CNCc1ccnc(c1)Cl 34a_100102657272_100000764220 [1,1,0,0,0,0|2,0,0]=4 4366 B10R1.10 CNCc1ccnc(c1)Cl 7a_106832991635_100000764220 [1,1,0,0,0,0|2,0,0]=4 4367 B10R1.10 CNCc1ccnc(c1)F 2230a_100015188774_200000210301 [1,1,0,0,0,0|2,0,0]=4 4368 B10R1.10 CNCc1ccnc(c1)F 270004a_106832991635_100000068331 [1,1,0,0,0,0|2,0,0]=4 4369 B10R1.10 CNCc1ccnc(c1)F 34a_100015188774_200000210301 [1,1,0,0,0,0|2,0,0]=4 4370 B10R1.10 CNCc1ccnc(c1)O 207a_100102657272_100000688113 [1,1,0,0,0,0|2,0,0]=4 4371 B10R1.10 CNCc1ccnc(n1)C 270004a_106832991635_100011361539 [1,1,0,0,0,0|1,0,0]=3 4372 B10R1.10 CNCc1ccnc(n1)Cl 2230a_106832991635_100000099655 [1,1,0,0,0,0|1,0,0]=3 4373 B10R1.10 CNCc1ccnc(n1)Cl 34a_100102657272_100000099655 [1,1,0,0,0,0|1,0,0]=3 4374 B10R1.10 CNCc1ccnc(n1)Cl 7a_106832991635_100000099655 [1,1,0,0,0,0|1,0,0]=3 4375 B10R1.10 CNCc1cncc(c1)Br 207a_100102657272_100000687066 [1,1,0,0,0,0|2,0,0]=4 4376 B10R1.10 CNCc1cncc(c1)Br 2230a_106832991635_100000738771 [1,1,0,0,0,0|2,0,0]=4 4377 B10R1.10 CNCc1cncc(c1)Br 270004a_106832991635_100000687066 [1,1,0,0,0,0|2,0,0]=4 4378 B10R1.10 CNCc1cncc(c1)Br 34a_100102657272_100000738771 [1,1,0,0,0,0|2,0,0]=4 4379 B10R1.10 CNCc1cncc(c1)Br 7a_106832991635_100000738771 [1,1,0,0,0,0|2,0,0]=4 4380 B10R1.10 CNCc1cncc(c1)C 207a_100102657272_100011998712 [1,1,0,0,0,0|2,0,0]=4 4381 B10R1.10 CNCc1cncc(c1)C 2230a_100000692839_200000210301 [1,1,0,0,0,0|2,0,0]=4 4382 B10R1.10 CNCc1cncc(c1)C 2230a_106832991635_100000716715 [1,1,0,0,0,0|2,0,0]=4 4383 B10R1.10 CNCc1cncc(c1)C 270004a_106832991635_100011998712 [1,1,0,0,0,0|2,0,0]=4 4384 B10R1.10 CNCc1cncc(c1)C 34a_100000692839_200000210301 [1,1,0,0,0,0|2,0,0]=4 4385 B10R1.10 CNCc1cncc(c1)C 34a_100102657272_100000716715 [1,1,0,0,0,0|2,0,0]=4 4386 B10R1.10 CNCc1cncc(c1)C 7a_106832991635_100000716715 [1,1,0,0,0,0|2,0,0]=4 4387 B10R1.10 CNCc1cncc(c1)Cl 207a_100102657272_100000088910 [1,1,0,0,0,0|2,0,0]=4 4388 B10R1.10 CNCc1cncc(c1)Cl 2230a_106832991635_100016992070 [1,1,0,0,0,0|2,0,0]=4 4389 B10R1.10 CNCc1cncc(c1)Cl 2230a_200020614424_200000210301 [1,1,0,0,0,0|2,0,0]=4 4390 B10R1.10 CNCc1cncc(c1)Cl 270004a_106832991635_100000088910 [1,1,0,0,0,0|2,0,0]=4 4391 B10R1.10 CNCc1cncc(c1)Cl 34a_100102657272_100016992070 [1,1,0,0,0,0|2,0,0]=4 4392 B10R1.10 CNCc1cncc(c1)Cl 7a_106832991635_100016992070 [1,1,0,0,0,0|2,0,0]=4 4393 B10R1.10 CNCc1cncc(c1)F 207a_100102657272_100011361476 [1,1,0,0,0,0|2,0,0]=4 4394 B10R1.10 CNCc1cncc(c1)F 2230a_100011962886_200000210301 [1,1,0,0,0,0|2,0,0]=4 4395 B10R1.10 CNCc1cncc(c1)F 2230a_106832991635_100000725299 [1,1,0,0,0,0|2,0,0]=4 4396 B10R1.10 CNCc1cncc(c1)F 270004a_106832991635_100011361476 [1,1,0,0,0,0|2,0,0]=4 4397 B10R1.10 CNCc1cncc(c1)F 34a_100011962886_200000210301 [1,1,0,0,0,0|2,0,0]=4 4398 B10R1.10 CNCc1cncc(c1)F 34a_100102657272_100000725299 [1,1,0,0,0,0|2,0,0]=4 4399 B10R1.10 CNCc1cncc(c1)F 7a_106832991635_100000725299 [1,1,0,0,0,0|2,0,0]=4 4400 B10R1.10 CNCc1cncc(c1)O 207a_100102657272_100012187055 [1,1,0,0,0,0|2,0,0]=4 4401 B10R1.10 CNCc1cncc(c1)O 270004a_106832991635_100012187055 [1,1,0,0,0,0|2,0,0]=4 4402 B10R1.10 CNCc1cncc(c1)O 271570a_203496583355_103549770560 [1,1,0,0,0,0|2,0,0]=4 4403 B10R1.10 CNCc1cncc(n1)C 207a_100102657272_100000100294 [1,1,0,0,0,0|1,0,0]=3 4404 B10R1.10 CNCc1cncc(n1)C 270004a_106832991635_100000100294 [1,1,0,0,0,0|1,0,0]=3 4405 B10R1.10 CNCc1nccc(n1)C 2230a_100015186494_200000210301 [1,1,0,0,0,0|1,0,0]=3 4406 B10R1.10 COCc1cc(ccn1)Br 34a_100138415774_100010173614 [1,1,0,0,0,0|1,0,0]=3 4407 B10R1.10 COCc1cc(ccn1)C 34a_100011998357_200000210301 [1,1,0,0,0,0|1,0,0]=3 4408 B10R1.10 COCc1cc(ccn1)C 34a_100138415774_100000718516 [1,1,0,0,0,0|1,0,0]=3 4409 B10R1.10 COCc1cc(ccn1)Cl 34a_100000748867_200000210301 [1,1,0,0,0,0|1,0,0]=3 4410 B10R1.10 COCc1cc(ccn1)Cl 34a_100138415774_100016988179 [1,1,0,0,0,0|1,0,0]=3 4411 B10R1.10 COCc1cc(ccn1)N 34a_100000692640_200000210301 [1,1,0,0,0,0|1,0,0]=3 4412 B10R1.10 COCc1cc(cnn1)C 34a_100016212594_200000210301 [1,1,0,0,0,0|2,0,0]=4 4413 B10R1.10 COCc1cc(ncn1)O 271570a_203496583355_100000688101 [1,1,0,0,0,0|2,0,0]=4 4414 B10R1.10 COCc1cccc(c1)Br 34a_100000687537_200000210301 [1,1,0,0,0,0|2,0,0]=4 4415 B10R1.10 COCc1cccc(c1)Br 34a_100138415774_100000698116 [1,1,0,0,0,0|2,0,0]=4 4416 B10R1.10 COCc1cccc(c1)Br 7a_100000687537_200000210301 [1,1,0,0,0,0|2,0,0]=4 4417 B10R1.10 COCc1cccc(c1)C 34a_100011217746_200000210301 [1,1,0,0,0,0|2,0,0]=4 4418 B10R1.10 COCc1cccc(c1)C 34a_100138415774_100000211840 [1,1,0,0,0,0|2,0,0]=4 4419 B10R1.10 COCc1cccc(c1)C 7a_100011217746_200000210301 [1,1,0,0,0,0|2,0,0]=4 4420 B10R1.10 COCc1cccc(c1)Cl 34a_100000241301_200000210301 [1,1,0,0,0,0|2,0,0]=4 4421 B10R1.10 COCc1cccc(c1)Cl 34a_100138415774_100000187163 [1,1,0,0,0,0|2,0,0]=4 4422 B10R1.10 COCc1cccc(c1)Cl 7a_100000241301_200000210301 [1,1,0,0,0,0|2,0,0]=4 4423 B10R1.10 COCc1cccc(c1)F 34a_100000210976_200000210301 [1,1,0,0,0,0|2,0,0]=4 4424 B10R1.10 COCc1cccc(c1)F 34a_100138415774_100000187166 [1,1,0,0,0,0|2,0,0]=4 4425 B10R1.10 COCc1cccc(c1)F 7a_100000210976_200000210301 [1,1,0,0,0,0|2,0,0]=4 4426 B10R1.10 COCc1cccc(c1)I 34a_100011215336_200000210301 [1,1,0,0,0,0|2,0,0]=4 4427 B10R1.10 COCc1cccc(c1)I 34a_100138415774_100011218688 [1,1,0,0,0,0|2,0,0]=4 4428 B10R1.10 COCc1cccc(c1)I 7a_100011215336_200000210301 [1,1,0,0,0,0|2,0,0]=4 4429 B10R1.10 COCc1cccc(c1)N 34a_100000211919_200000210301 [1,1,0,0,0,0|2,0,0]=4 4430 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [1,1,0,0,0,0|2,0,0]=4 4431 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [1,1,0,0,0,0|2,0,0]=4 4432 B10R1.10 COCc1cccc(n1)Br 34a_100000694195_200000210301 [1,1,0,0,0,0|1,0,0]=3 4433 B10R1.10 COCc1cccc(n1)Br 34a_100138415774_100009889011 [1,1,0,0,0,0|1,0,0]=3 4434 B10R1.10 COCc1cccc(n1)C 34a_100000690600_200000210301 [1,1,0,0,0,0|1,0,0]=3 4435 B10R1.10 COCc1cccc(n1)C 34a_100138415774_100000757606 [1,1,0,0,0,0|1,0,0]=3 4436 B10R1.10 COCc1cccc(n1)Cl 34a_100011998359_200000210301 [1,1,0,0,0,0|1,0,0]=3 4437 B10R1.10 COCc1cccc(n1)Cl 34a_100138415774_100000086093 [1,1,0,0,0,0|1,0,0]=3 4438 B10R1.10 COCc1cccc(n1)F 34a_100000086748_200000210301 [1,1,0,0,0,0|1,0,0]=3 4439 B10R1.10 COCc1cccc(n1)F 34a_100138415774_100009819644 [1,1,0,0,0,0|1,0,0]=3 4440 B10R1.10 COCc1ccnc(n1)Cl 34a_100138415774_100000099655 [1,1,0,0,0,0|2,0,0]=4 4441 B10R1.10 CSCc1cc(ccn1)Br 62a_100010173614_200000210301 [1,1,0,0,0,0|1,0,0]=3 4442 B10R1.10 CSCc1cc(ccn1)Br 62a_200000210301_100010173614 [1,1,0,0,0,0|1,0,0]=3 4443 B10R1.10 CSCc1cc(ccn1)C 62a_100000718516_200000210301 [1,1,0,0,0,0|1,0,0]=3 4444 B10R1.10 CSCc1cc(ccn1)C 62a_200000210301_100000718516 [1,1,0,0,0,0|1,0,0]=3 4445 B10R1.10 CSCc1cc(ccn1)Cl 62a_100016988179_200000210301 [1,1,0,0,0,0|1,0,0]=3 4446 B10R1.10 CSCc1cc(ccn1)Cl 62a_200000210301_100016988179 [1,1,0,0,0,0|1,0,0]=3 4447 B10R1.10 CSCc1cccc(c1)Br 62a_100000211773_200000210301 [1,1,0,0,0,0|2,0,0]=4 4448 B10R1.10 CSCc1cccc(c1)Br 62a_200000210301_100000211773 [1,1,0,0,0,0|2,0,0]=4 4449 B10R1.10 CSCc1cccc(c1)C 62a_100000211840_200000210301 [1,1,0,0,0,0|2,0,0]=4 4450 B10R1.10 CSCc1cccc(c1)C 62a_200000210301_100000211840 [1,1,0,0,0,0|2,0,0]=4 4451 B10R1.10 CSCc1cccc(c1)Cl 62a_100000187163_200000210301 [1,1,0,0,0,0|2,0,0]=4 4452 B10R1.10 CSCc1cccc(c1)Cl 62a_200000210301_100000187163 [1,1,0,0,0,0|2,0,0]=4 4453 B10R1.10 CSCc1cccc(c1)F 62a_100000230114_200000210301 [1,1,0,0,0,0|2,0,0]=4 4454 B10R1.10 CSCc1cccc(c1)F 62a_200000210301_100000230114 [1,1,0,0,0,0|2,0,0]=4 4455 B10R1.10 CSCc1cccc(c1)I 62a_100011218688_200000210301 [1,1,0,0,0,0|2,0,0]=4 4456 B10R1.10 CSCc1cccc(c1)I 62a_200000210301_100011218688 [1,1,0,0,0,0|2,0,0]=4 4457 B10R1.10 CSCc1cccc(c1)O 62a_100011660834_200000210301 [1,1,0,0,0,0|2,0,0]=4 4458 B10R1.10 CSCc1cccc(c1)O 62a_200000210301_100011660834 [1,1,0,0,0,0|2,0,0]=4 4459 B10R1.10 CSCc1cccc(n1)Br 62a_100009889011_200000210301 [1,1,0,0,0,0|1,0,0]=3 4460 B10R1.10 CSCc1cccc(n1)Br 62a_200000210301_100009889011 [1,1,0,0,0,0|1,0,0]=3 4461 B10R1.10 CSCc1cccc(n1)C 62a_100000757606_200000210301 [1,1,0,0,0,0|1,0,0]=3 4462 B10R1.10 CSCc1cccc(n1)C 62a_200000210301_100000757606 [1,1,0,0,0,0|1,0,0]=3 4463 B10R1.10 CSCc1cccc(n1)Cl 62a_100000086093_200000210301 [1,1,0,0,0,0|1,0,0]=3 4464 B10R1.10 CSCc1cccc(n1)Cl 62a_200000210301_100000086093 [1,1,0,0,0,0|1,0,0]=3 4465 B10R1.10 CSCc1cccc(n1)F 62a_100009819644_200000210301 [1,1,0,0,0,0|1,0,0]=3 4466 B10R1.10 CSCc1cccc(n1)F 62a_200000210301_100009819644 [1,1,0,0,0,0|1,0,0]=3 4467 B10R1.10 CSCc1ccnc(n1)Cl 62a_100000099655_200000210301 [1,1,0,0,0,0|2,0,0]=4 4468 B10R1.10 CSCc1ccnc(n1)Cl 62a_200000210301_100000099655 [1,1,0,0,0,0|2,0,0]=4 4469 B10R1.10 Cc1cc(ccn1)CN[13CH3] 34a_100011934566_200025704644 [1,1,0,0,0,0|2,0,0]=4 4470 B10R1.10 Cc1cccc(c1)CN[13CH3] 2230a_100000185548_200025704644 [1,1,0,0,0,0|1,0,0]=3 4471 B10R1.10 Cc1cccc(c1)CN[13CH3] 34a_100000185548_200025704644 [1,1,0,0,0,0|1,0,0]=3 4472 B10R1.10 Cc1cccc(c1)CO[13CH3] 34a_100011217746_200025704644 [1,1,0,0,0,0|2,0,0]=4 4473 B10R1.10 Cc1cccc(c1)CO[13CH3] 7a_100011217746_200025704644 [1,1,0,0,0,0|2,0,0]=4 4474 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_100000211840_200025704644 [1,1,0,0,0,0|2,0,0]=4 4475 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_200025704644_100000211840 [1,1,0,0,0,0|2,0,0]=4 4476 B10R1.10 Cc1cccc(n1)CN[13CH3] 34a_100000701342_200025704644 [1,1,0,0,0,0|0,0,0]=2 4477 B10R1.10 Cc1cccc(n1)CO[13CH3] 34a_100000690600_200025704644 [1,1,0,0,0,0|1,0,0]=3 4478 B10R1.10 Cc1cccc(n1)CS[13CH3] 62a_100000757606_200025704644 [1,1,0,0,0,0|1,0,0]=3 4479 B10R1.10 Cc1cccc(n1)CS[13CH3] 62a_200025704644_100000757606 [1,1,0,0,0,0|1,0,0]=3 4480 B10R1.10 Cc1cccc(n1)SCF 62a_100000742759_100015361967 [1,1,0,0,0,0|2,0,0]=4 4481 B10R1.10 Cc1cccc(n1)SCF 62a_100015361967_100000742759 [1,1,0,0,0,0|2,0,0]=4 4482 B10R1.10 Cc1ccnc(c1)CO[13CH3] 34a_100011998357_200025704644 [1,1,0,0,0,0|1,0,0]=3 4483 B10R1.10 Cc1ccnc(c1)CS[13CH3] 62a_100000718516_200025704644 [1,1,0,0,0,0|1,0,0]=3 4484 B10R1.10 Cc1ccnc(c1)CS[13CH3] 62a_200025704644_100000718516 [1,1,0,0,0,0|1,0,0]=3 4485 B10R1.10 Cc1ccnc(c1)SCF 62a_100000750283_100015361967 [1,1,0,0,0,0|2,0,0]=4 4486 B10R1.10 Cc1ccnc(c1)SCF 62a_100015361967_100000750283 [1,1,0,0,0,0|2,0,0]=4 4487 B10R1.10 Cc1ccnc(n1)CN[13CH3] 2230a_100015186494_200025704644 [1,1,0,0,0,0|1,0,0]=3 4488 B10R1.10 Cc1cncc(c1)CN[13CH3] 2230a_100000692839_200025704644 [1,1,0,0,0,0|2,0,0]=4 4489 B10R1.10 Cc1cncc(c1)CN[13CH3] 34a_100000692839_200025704644 [1,1,0,0,0,0|2,0,0]=4 4490 B10R1.10 Cc1cnnc(c1)CO[13CH3] 34a_100016212594_200025704644 [1,1,0,0,0,0|2,0,0]=4 4491 B10R1.10 FCOc1cccc(n1)F 34a_100011432558_100015361967 [1,1,0,0,0,0|2,0,0]=4 4492 B10R1.10 FCSc1cc(ccn1)Cl 62a_100010167805_100015361967 [1,1,0,0,0,0|2,0,0]=4 4493 B10R1.10 FCSc1cc(ccn1)Cl 62a_100015361967_100010167805 [1,1,0,0,0,0|2,0,0]=4 4494 B10R1.10 FCSc1cc(ccn1)F 62a_100000764206_100015361967 [1,1,0,0,0,0|2,0,0]=4 4495 B10R1.10 FCSc1cc(ccn1)F 62a_100015361967_100000764206 [1,1,0,0,0,0|2,0,0]=4 4496 B10R1.10 FCSc1cccc(n1)Br 62a_100000684672_100015361967 [1,1,0,0,0,0|2,0,0]=4 4497 B10R1.10 FCSc1cccc(n1)Br 62a_100015361967_100000684672 [1,1,0,0,0,0|2,0,0]=4 4498 B10R1.10 FCSc1cccc(n1)Cl 62a_100000051397_100015361967 [1,1,0,0,0,0|2,0,0]=4 4499 B10R1.10 FCSc1cccc(n1)Cl 62a_100015361967_100000051397 [1,1,0,0,0,0|2,0,0]=4 4500 B10R1.10 FCSc1cccc(n1)F 62a_100009815982_100015361967 [1,1,0,0,0,0|2,0,0]=4 4501 B10R1.10 FCSc1cccc(n1)F 62a_100015361967_100009815982 [1,1,0,0,0,0|2,0,0]=4 4502 B10R1.10 N#CCc1cc(ccn1)O 271570a_203496583355_100009875060 [1,1,0,0,0,0|0,0,2]=4 4503 B10R1.10 N#CCc1cccc(n1)O 271570a_203496583355_100000727631 [1,1,0,0,0,0|0,0,2]=4 4504 B10R1.10 NCCc1cccc(c1)O 271570a_203496583355_100011207229 [1,1,0,0,0,0|1,0,0]=3 4505 B10R1.10 NNCc1cccc(c1)O 271570a_203496583355_100000686200 [1,1,0,0,0,0|2,0,0]=4 4506 B10R1.10 Nc1cccc(n1)SCF 62a_100000740741_100015361967 [1,1,0,0,0,0|2,0,0]=4 4507 B10R1.10 Nc1cccc(n1)SCF 62a_100015361967_100000740741 [1,1,0,0,0,0|2,0,0]=4 4508 B10R1.10 Nc1ccnc(c1)SCF 62a_100009814236_100015361967 [1,1,0,0,0,0|2,0,0]=4 4509 B10R1.10 Nc1ccnc(c1)SCF 62a_100015361967_100009814236 [1,1,0,0,0,0|2,0,0]=4 4510 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [1,1,0,0,0,0|2,0,0]=4 4511 B10R1.10 OCCc1cccc(n1)O 271570a_203496583355_100010221043 [1,1,0,0,0,0|1,0,0]=3 4512 B10R1.10 Oc1ccnc(c1)SCF 62a_100015361967_100000762945 [1,1,0,0,0,0|2,0,0]=4 4513 B10R1.10 [13CH3]NCc1cccc(=O)[nH]1 2230a_100000696482_200025704644 [1,1,0,0,0,0|0,0,1]=3 4514 B10R1.10 [13CH3]NCc1cccc(c1)Br 2230a_100000174977_200025704644 [1,1,0,0,0,0|1,0,0]=3 4515 B10R1.10 [13CH3]NCc1cccc(c1)Br 34a_100000174977_200025704644 [1,1,0,0,0,0|1,0,0]=3 4516 B10R1.10 [13CH3]NCc1cccc(c1)Cl 2230a_100000174878_200025704644 [1,1,0,0,0,0|1,0,0]=3 4517 B10R1.10 [13CH3]NCc1cccc(c1)Cl 34a_100000174878_200025704644 [1,1,0,0,0,0|1,0,0]=3 4518 B10R1.10 [13CH3]NCc1cccc(c1)F 2230a_100000174948_200025704644 [1,1,0,0,0,0|1,0,0]=3 4519 B10R1.10 [13CH3]NCc1cccc(c1)F 34a_100000174948_200025704644 [1,1,0,0,0,0|1,0,0]=3 4520 B10R1.10 [13CH3]NCc1cccc(c1)I 2230a_100000106179_200025704644 [1,1,0,0,0,0|1,0,0]=3 4521 B10R1.10 [13CH3]NCc1cccc(c1)I 34a_100000106179_200025704644 [1,1,0,0,0,0|1,0,0]=3 4522 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [1,1,0,0,0,0|1,0,0]=3 4523 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [1,1,0,0,0,0|1,0,0]=3 4524 B10R1.10 [13CH3]NCc1cccc(n1)Br 2230a_100016987751_200025704644 [1,1,0,0,0,0|0,0,0]=2 4525 B10R1.10 [13CH3]NCc1cccc(n1)Cl 2230a_100016990191_200025704644 [1,1,0,0,0,0|0,0,0]=2 4526 B10R1.10 [13CH3]NCc1cccc(n1)F 2230a_100015188798_200025704644 [1,1,0,0,0,0|0,0,0]=2 4527 B10R1.10 [13CH3]NCc1cccc(n1)F 34a_100015188798_200025704644 [1,1,0,0,0,0|0,0,0]=2 4528 B10R1.10 [13CH3]NCc1ccnc(c1)Br 2230a_100025757509_200025704644 [1,1,0,0,0,0|2,0,0]=4 4529 B10R1.10 [13CH3]NCc1ccnc(c1)Br 34a_100025757509_200025704644 [1,1,0,0,0,0|2,0,0]=4 4530 B10R1.10 [13CH3]NCc1ccnc(c1)Cl 2230a_100015205668_200025704644 [1,1,0,0,0,0|2,0,0]=4 4531 B10R1.10 [13CH3]NCc1ccnc(c1)Cl 34a_100015205668_200025704644 [1,1,0,0,0,0|2,0,0]=4 4532 B10R1.10 [13CH3]NCc1ccnc(c1)F 2230a_100015188774_200025704644 [1,1,0,0,0,0|2,0,0]=4 4533 B10R1.10 [13CH3]NCc1ccnc(c1)F 34a_100015188774_200025704644 [1,1,0,0,0,0|2,0,0]=4 4534 B10R1.10 [13CH3]NCc1cncc(c1)Cl 2230a_200020614424_200025704644 [1,1,0,0,0,0|2,0,0]=4 4535 B10R1.10 [13CH3]NCc1cncc(c1)F 2230a_100011962886_200025704644 [1,1,0,0,0,0|2,0,0]=4 4536 B10R1.10 [13CH3]NCc1cncc(c1)F 34a_100011962886_200025704644 [1,1,0,0,0,0|2,0,0]=4 4537 B10R1.10 [13CH3]OCc1cc(ccn1)Cl 34a_100000748867_200025704644 [1,1,0,0,0,0|1,0,0]=3 4538 B10R1.10 [13CH3]OCc1cc(ccn1)N 34a_100000692640_200025704644 [1,1,0,0,0,0|1,0,0]=3 4539 B10R1.10 [13CH3]OCc1cccc(c1)Br 34a_100000687537_200025704644 [1,1,0,0,0,0|2,0,0]=4 4540 B10R1.10 [13CH3]OCc1cccc(c1)Br 7a_100000687537_200025704644 [1,1,0,0,0,0|2,0,0]=4 4541 B10R1.10 [13CH3]OCc1cccc(c1)Cl 34a_100000241301_200025704644 [1,1,0,0,0,0|2,0,0]=4 4542 B10R1.10 [13CH3]OCc1cccc(c1)Cl 7a_100000241301_200025704644 [1,1,0,0,0,0|2,0,0]=4 4543 B10R1.10 [13CH3]OCc1cccc(c1)F 34a_100000210976_200025704644 [1,1,0,0,0,0|2,0,0]=4 4544 B10R1.10 [13CH3]OCc1cccc(c1)F 7a_100000210976_200025704644 [1,1,0,0,0,0|2,0,0]=4 4545 B10R1.10 [13CH3]OCc1cccc(c1)I 34a_100011215336_200025704644 [1,1,0,0,0,0|2,0,0]=4 4546 B10R1.10 [13CH3]OCc1cccc(c1)I 7a_100011215336_200025704644 [1,1,0,0,0,0|2,0,0]=4 4547 B10R1.10 [13CH3]OCc1cccc(c1)N 34a_100000211919_200025704644 [1,1,0,0,0,0|2,0,0]=4 4548 B10R1.10 [13CH3]OCc1cccc(n1)Br 34a_100000694195_200025704644 [1,1,0,0,0,0|1,0,0]=3 4549 B10R1.10 [13CH3]OCc1cccc(n1)Cl 34a_100011998359_200025704644 [1,1,0,0,0,0|1,0,0]=3 4550 B10R1.10 [13CH3]OCc1cccc(n1)F 34a_100000086748_200025704644 [1,1,0,0,0,0|1,0,0]=3 4551 B10R1.10 [13CH3]SCc1cc(ccn1)Br 62a_100010173614_200025704644 [1,1,0,0,0,0|1,0,0]=3 4552 B10R1.10 [13CH3]SCc1cc(ccn1)Br 62a_200025704644_100010173614 [1,1,0,0,0,0|1,0,0]=3 4553 B10R1.10 [13CH3]SCc1cc(ccn1)Cl 62a_100016988179_200025704644 [1,1,0,0,0,0|1,0,0]=3 4554 B10R1.10 [13CH3]SCc1cc(ccn1)Cl 62a_200025704644_100016988179 [1,1,0,0,0,0|1,0,0]=3 4555 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_100000211773_200025704644 [1,1,0,0,0,0|2,0,0]=4 4556 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_200025704644_100000211773 [1,1,0,0,0,0|2,0,0]=4 4557 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_100000187163_200025704644 [1,1,0,0,0,0|2,0,0]=4 4558 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_200025704644_100000187163 [1,1,0,0,0,0|2,0,0]=4 4559 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_100000230114_200025704644 [1,1,0,0,0,0|2,0,0]=4 4560 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_200025704644_100000230114 [1,1,0,0,0,0|2,0,0]=4 4561 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_100011218688_200025704644 [1,1,0,0,0,0|2,0,0]=4 4562 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_200025704644_100011218688 [1,1,0,0,0,0|2,0,0]=4 4563 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_100011660834_200025704644 [1,1,0,0,0,0|2,0,0]=4 4564 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_200025704644_100011660834 [1,1,0,0,0,0|2,0,0]=4 4565 B10R1.10 [13CH3]SCc1cccc(n1)Br 62a_100009889011_200025704644 [1,1,0,0,0,0|1,0,0]=3 4566 B10R1.10 [13CH3]SCc1cccc(n1)Br 62a_200025704644_100009889011 [1,1,0,0,0,0|1,0,0]=3 4567 B10R1.10 [13CH3]SCc1cccc(n1)Cl 62a_100000086093_200025704644 [1,1,0,0,0,0|1,0,0]=3 4568 B10R1.10 [13CH3]SCc1cccc(n1)Cl 62a_200025704644_100000086093 [1,1,0,0,0,0|1,0,0]=3 4569 B10R1.10 [13CH3]SCc1cccc(n1)F 62a_100009819644_200025704644 [1,1,0,0,0,0|1,0,0]=3 4570 B10R1.10 [13CH3]SCc1cccc(n1)F 62a_200025704644_100009819644 [1,1,0,0,0,0|1,0,0]=3 4571 B10R1.10 [13CH3]SCc1ccnc(n1)Cl 62a_100000099655_200025704644 [1,1,0,0,0,0|2,0,0]=4 4572 B10R1.10 [13CH3]SCc1ccnc(n1)Cl 62a_200025704644_100000099655 [1,1,0,0,0,0|2,0,0]=4 4573 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [1,1,0,0,0,0|0,0,0]=2 4574 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [1,1,0,0,0,0|2,0,0]=4 4575 B10R1.15 CC(N[13CH3])c1ccncc1 2230a_100000181269_200025704644 [1,1,0,0,0,0|2,0,0]=4 4576 B10R1.15 CC(N[13CH3])c1ncccn1 2230a_100020641698_200025704644 [1,1,0,0,0,0|1,0,0]=3 4577 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,1,0,0,0,0|2,0,0]=4 4578 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,1,0,0,0,0|2,0,0]=4 4579 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200000703233_200025704644 [1,1,0,0,0,0|2,0,0]=4 4580 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200025704644_200000703233 [1,1,0,0,0,0|2,0,0]=4 4581 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,1,0,0,0,0|1,0,1]=4 4582 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [1,1,0,0,0,0|2,0,0]=4 4583 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [1,1,0,0,0,0|2,0,0]=4 4584 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [1,1,0,0,0,0|2,0,0]=4 4585 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [1,1,0,0,0,0|2,0,0]=4 4586 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [1,1,0,0,0,0|2,0,0]=4 4587 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [1,1,0,0,0,0|2,0,0]=4 4588 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [1,1,0,0,0,0|2,0,0]=4 4589 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [1,1,0,0,0,0|2,0,0]=4 4590 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [1,1,0,0,0,0|2,0,0]=4 4591 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,1,0,0,0,0|1,0,1]=4 4592 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,1,0,0,0,0|1,0,1]=4 4593 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,1,0,0,0,0|1,0,1]=4 4594 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,1,0,0,0,0|1,0,1]=4 4595 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,1,0,0,0,0|1,0,0]=3 4596 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,1,0,0,0,0|1,0,0]=3 4597 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,1,0,0,0,0|1,0,0]=3 4598 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,1,0,0,0,0|1,0,0]=3 4599 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [1,1,0,0,0,0|0,0,0]=2 4600 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [1,1,0,0,0,0|0,0,0]=2 4601 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [1,1,0,0,0,0|2,0,0]=4 4602 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [1,1,0,0,0,0|2,0,0]=4 4603 B10R1.15 CNC(C)c1cccnn1 269862a_106832991636_100009866853 [1,1,0,0,0,0|1,0,0]=3 4604 B10R1.15 CNC(C)c1ccncc1 2230a_100000181269_200000210301 [1,1,0,0,0,0|2,0,0]=4 4605 B10R1.15 CNC(C)c1ccncc1 269862a_106832991636_100000185792 [1,1,0,0,0,0|2,0,0]=4 4606 B10R1.15 CNC(C)c1cnccn1 2230a_106832991635_200000703233 [1,1,0,0,0,0|1,0,0]=3 4607 B10R1.15 CNC(C)c1cnccn1 269862a_106832991636_100000751083 [1,1,0,0,0,0|1,0,0]=3 4608 B10R1.15 CNC(C)c1cnccn1 7a_106832991635_200000703233 [1,1,0,0,0,0|1,0,0]=3 4609 B10R1.15 CNC(C)c1ncccn1 2230a_100020641698_200000210301 [1,1,0,0,0,0|1,0,0]=3 4610 B10R1.15 CNC(C)c1ncccn1 270004a_106832991635_100011350828 [1,1,0,0,0,0|1,0,0]=3 4611 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,1,0,0,0,0|1,0,0]=3 4612 B10R1.15 CN[C@H](C)c1cnccn1 2230a_100020589798_200000210301 [1,1,0,0,0,0|1,0,0]=3 4613 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,1,0,0,0,0|2,0,0]=4 4614 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,1,0,0,0,0|2,0,0]=4 4615 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,1,0,0,0,0|2,0,0]=4 4616 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,1,0,0,0,0|2,0,0]=4 4617 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,1,0,0,0,0|2,0,0]=4 4618 B10R1.15 CSC(C)c1cnccn1 62a_200000210301_200000703233 [1,1,0,0,0,0|2,0,0]=4 4619 B10R1.15 CSC(C)c1cnccn1 62a_200000703233_200000210301 [1,1,0,0,0,0|2,0,0]=4 4620 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,1,0,0,0,0|1,0,0]=3 4621 B10R1.15 C[C@@H](N[13CH3])c1cnccn1 2230a_100020589798_200025704644 [1,1,0,0,0,0|1,0,0]=3 4622 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,1,0,0,0,0|2,0,0]=4 4623 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,1,0,0,0,0|2,0,0]=4 4624 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [1,1,0,0,0,0|0,0,2]=4 4625 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,1,0,0,0,0|1,0,1]=4 4626 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,1,0,0,0,0|0,0,1]=3 4627 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,1,0,0,0,0|0,0,1]=3 4628 B10R1.18 CC(=O)Cc1cccnn1 1458a_100000070787_100016990269 [1,1,0,0,0,0|1,0,1]=4 4629 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [1,1,0,0,0,0|1,0,1]=4 4630 B10R1.18 CC(=O)Cc1ncccn1 1458a_100000070787_100000703007 [1,1,0,0,0,0|1,0,1]=4 4631 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [1,1,0,0,0,0|2,0,0]=4 4632 B10R1.18 CC(C)Nc1cccnn1 27a_100138425928_100016991348 [1,1,0,0,0,0|2,0,0]=4 4633 B10R1.18 CC(C)Nc1ccncn1 27a_100138425928_100000703185 [1,1,0,0,0,0|2,0,0]=4 4634 B10R1.18 CC(C)Nc1cnccn1 27a_100138425928_100000211759 [1,1,0,0,0,0|2,0,0]=4 4635 B10R1.18 CC(C)Nc1ncccn1 27a_100138425928_100000211032 [1,1,0,0,0,0|2,0,0]=4 4636 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [1,1,0,0,0,0|2,0,0]=4 4637 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [1,1,0,0,0,0|2,0,0]=4 4638 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [1,1,0,0,0,0|2,0,0]=4 4639 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [1,1,0,0,0,0|2,0,0]=4 4640 B10R1.18 CC(C)Sc1ccccn1 62a_100000210206_100011216584 [1,1,0,0,0,0|1,0,0]=3 4641 B10R1.18 CC(C)Sc1ccccn1 62a_100011216584_100000210206 [1,1,0,0,0,0|1,0,0]=3 4642 B10R1.18 CC(C)Sc1cccnn1 62a_100000210206_100016991348 [1,1,0,0,0,0|2,0,0]=4 4643 B10R1.18 CC(C)Sc1cccnn1 62a_100016991348_100000210206 [1,1,0,0,0,0|2,0,0]=4 4644 B10R1.18 CC(C)Sc1ccncn1 62a_100000210206_100000703185 [1,1,0,0,0,0|2,0,0]=4 4645 B10R1.18 CC(C)Sc1ccncn1 62a_100000703185_100000210206 [1,1,0,0,0,0|2,0,0]=4 4646 B10R1.18 CC(C)Sc1cnccn1 62a_100000210206_100000211759 [1,1,0,0,0,0|2,0,0]=4 4647 B10R1.18 CC(C)Sc1cnccn1 62a_100000211759_100000210206 [1,1,0,0,0,0|2,0,0]=4 4648 B10R1.18 CC(C)Sc1ncccn1 62a_100000210206_100000211032 [1,1,0,0,0,0|2,0,0]=4 4649 B10R1.18 CC(C)Sc1ncccn1 62a_100000211032_100000210206 [1,1,0,0,0,0|2,0,0]=4 4650 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,1,0,0,0,0|1,0,0]=3 4651 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,1,0,0,0,0|1,0,0]=3 4652 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,1,0,0,0,0|1,0,0]=3 4653 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,1,0,0,0,0|1,0,0]=3 4654 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,1,0,0,0,0|1,0,0]=3 4655 B10R1.18 CN(C)Cc1ccccn1 2230a_100000207498_200000210301 [1,1,0,0,0,0|0,0,0]=2 4656 B10R1.18 CN(C)Cc1ccccn1 2230a_100102631434_100000721315 [1,1,0,0,0,0|0,0,0]=2 4657 B10R1.18 CN(C)Cc1ccccn1 269982a_100000207498_200000210301 [1,1,0,0,0,0|0,0,0]=2 4658 B10R1.18 CN(C)Cc1ccccn1 269982a_100102631434_100000721315 [1,1,0,0,0,0|0,0,0]=2 4659 B10R1.18 CN(C)Cc1ccccn1 270004a_100102631434_100000209966 [1,1,0,0,0,0|0,0,0]=2 4660 B10R1.18 CN(C)Cc1cccnc1 2230a_100000184577_200000210301 [1,1,0,0,0,0|2,0,0]=4 4661 B10R1.18 CN(C)Cc1cccnc1 2230a_100102631434_100000741622 [1,1,0,0,0,0|2,0,0]=4 4662 B10R1.18 CN(C)Cc1cccnc1 269982a_100000184577_200000210301 [1,1,0,0,0,0|2,0,0]=4 4663 B10R1.18 CN(C)Cc1cccnc1 269982a_100102631434_100000733263 [1,1,0,0,0,0|2,0,0]=4 4664 B10R1.18 CN(C)Cc1cccnc1 270004a_100102631434_100000209961 [1,1,0,0,0,0|2,0,0]=4 4665 B10R1.18 CN(C)Cc1cccnn1 2230a_100102631434_100016990269 [1,1,0,0,0,0|1,0,0]=3 4666 B10R1.18 CN(C)Cc1ccncc1 2230a_100000187231_200000210301 [1,1,0,0,0,0|2,0,0]=4 4667 B10R1.18 CN(C)Cc1ccncc1 2230a_100102631434_100015193705 [1,1,0,0,0,0|2,0,0]=4 4668 B10R1.18 CN(C)Cc1ccncc1 269982a_100000187231_200000210301 [1,1,0,0,0,0|2,0,0]=4 4669 B10R1.18 CN(C)Cc1ccncc1 269982a_100102631434_100015193705 [1,1,0,0,0,0|2,0,0]=4 4670 B10R1.18 CN(C)Cc1cnccn1 2230a_100011269079_200000210301 [1,1,0,0,0,0|1,0,0]=3 4671 B10R1.18 CN(C)Cc1cnccn1 2230a_100102631434_100016995436 [1,1,0,0,0,0|1,0,0]=3 4672 B10R1.18 CN(C)Cc1cnccn1 269982a_100011269079_200000210301 [1,1,0,0,0,0|1,0,0]=3 4673 B10R1.18 CN(C)Cc1cnccn1 269982a_100102631434_100016995436 [1,1,0,0,0,0|1,0,0]=3 4674 B10R1.18 CN(C)Cc1cnccn1 270004a_100102631434_100000749867 [1,1,0,0,0,0|1,0,0]=3 4675 B10R1.18 CN(C)Cc1ncccn1 2230a_100025716638_200000210301 [1,1,0,0,0,0|1,0,0]=3 4676 B10R1.18 CN(C)Cc1ncccn1 2230a_100102631434_100000703007 [1,1,0,0,0,0|1,0,0]=3 4677 B10R1.18 CN(C)Cc1ncccn1 269982a_100025716638_200000210301 [1,1,0,0,0,0|1,0,0]=3 4678 B10R1.18 CN(C)Cc1ncccn1 269982a_100102631434_100000703007 [1,1,0,0,0,0|1,0,0]=3 4679 B10R1.18 CN(C)Cc1ncccn1 270004a_100102631434_100011532527 [1,1,0,0,0,0|1,0,0]=3 4680 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,1,0,0,0,0|1,0,0]=3 4681 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,1,0,0,0,0|1,0,0]=3 4682 B10R1.18 CN([13CH3])Cc1ccccn1 2230a_100000207498_200025704644 [1,1,0,0,0,0|0,0,0]=2 4683 B10R1.18 CN([13CH3])Cc1ccccn1 269982a_100000207498_200025704644 [1,1,0,0,0,0|0,0,0]=2 4684 B10R1.18 CN([13CH3])Cc1cccnc1 2230a_100000184577_200025704644 [1,1,0,0,0,0|2,0,0]=4 4685 B10R1.18 CN([13CH3])Cc1cccnc1 269982a_100000184577_200025704644 [1,1,0,0,0,0|2,0,0]=4 4686 B10R1.18 CN([13CH3])Cc1ccncc1 2230a_100000187231_200025704644 [1,1,0,0,0,0|2,0,0]=4 4687 B10R1.18 CN([13CH3])Cc1ccncc1 269982a_100000187231_200025704644 [1,1,0,0,0,0|2,0,0]=4 4688 B10R1.18 CN([13CH3])Cc1cnccn1 2230a_100011269079_200025704644 [1,1,0,0,0,0|1,0,0]=3 4689 B10R1.18 CN([13CH3])Cc1cnccn1 269982a_100011269079_200025704644 [1,1,0,0,0,0|1,0,0]=3 4690 B10R1.18 CN([13CH3])Cc1ncccn1 2230a_100025716638_200025704644 [1,1,0,0,0,0|1,0,0]=3 4691 B10R1.18 CN([13CH3])Cc1ncccn1 269982a_100025716638_200025704644 [1,1,0,0,0,0|1,0,0]=3 4692 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,1,0,0,0,0|0,0,1]=3 4693 B10R1.11 CC(CO[13CH3])n1cccn1 34a_100011935049_200025704644 [0,1,0,0,1,0|2,0,0]=4 4694 B10R1.11 CNCC(=O)c1ccc[nH]1 7a_106832991635_200011262396 [0,1,0,0,1,0|0,0,2]=4 4695 B10R1.11 CNCC(=O)c1ccco1 7a_106832991635_100000211439 [0,1,0,0,1,0|1,0,1]=4 4696 B10R1.11 CNCC(=O)c1cccs1 2230a_106832991635_100000211436 [0,1,0,0,1,0|1,0,1]=4 4697 B10R1.11 CNCC(=O)c1cccs1 7a_106832991635_100000211436 [0,1,0,0,1,0|1,0,1]=4 4698 B10R1.11 CNCC(=O)c1ccsc1 2230a_106832991635_100011219462 [0,1,0,0,1,0|1,0,1]=4 4699 B10R1.11 CNCC(=O)c1ccsc1 34a_100102657272_100011219462 [0,1,0,0,1,0|1,0,1]=4 4700 B10R1.11 CNCC(=O)c1ccsc1 7a_106832991635_100011219462 [0,1,0,0,1,0|1,0,1]=4 4701 B10R1.11 CNCC(=O)c1nccs1 7a_106832991635_100000718653 [0,1,0,0,1,0|1,0,1]=4 4702 B10R1.11 CNCC(=O)n1cccn1 2230a_106832991635_100000077511 [0,1,0,0,1,0|1,0,1]=4 4703 B10R1.11 CNCC(=O)n1cccn1 7a_106832991635_100000077511 [0,1,0,0,1,0|1,0,1]=4 4704 B10R1.11 CNCC(C)n1cncn1 2230a_106832991635_200015185000 [0,1,0,0,1,0|2,0,0]=4 4705 B10R1.11 CNCC(C)n1cncn1 34a_100102657272_200015185000 [0,1,0,0,1,0|2,0,0]=4 4706 B10R1.11 CNCC(C)n1cncn1 7a_106832991635_200015185000 [0,1,0,0,1,0|2,0,0]=4 4707 B10R1.11 CNCC(O)c1ccco1 2230a_100000738650_200000210301 [0,1,0,0,1,0|1,0,0]=3 4708 B10R1.11 CNCC(O)c1ccsc1 2230a_100000758718_200000210301 [0,1,0,0,1,0|1,0,0]=3 4709 B10R1.11 CNCC(O)c1ccsc1 34a_100000758718_200000210301 [0,1,0,0,1,0|1,0,0]=3 4710 B10R1.11 COCC(C)n1cccn1 34a_100011935049_200000210301 [0,1,0,0,1,0|2,0,0]=4 4711 B10R1.11 COCC(N)c1cccs1 34a_100102422791_200000210301 [0,1,0,0,1,0|2,0,0]=4 4712 B10R1.11 [13CH3]NCC(O)c1ccco1 2230a_100000738650_200025704644 [0,1,0,0,1,0|1,0,0]=3 4713 B10R1.11 [13CH3]NCC(O)c1ccsc1 2230a_100000758718_200025704644 [0,1,0,0,1,0|1,0,0]=3 4714 B10R1.11 [13CH3]NCC(O)c1ccsc1 34a_100000758718_200025704644 [0,1,0,0,1,0|1,0,0]=3 4715 B10R1.11 [13CH3]OCC(N)c1cccs1 34a_100102422791_200025704644 [0,1,0,0,1,0|2,0,0]=4 4716 B10R1.16 CCCCc1c[nH]c(n1)C 271570a_100020621405_100009814057 [0,1,0,0,1,0|2,0,0]=4 4717 B10R1.16 CCCCc1cc([nH]n1)C 271570a_100020621405_100015199547 [0,1,0,0,1,0|2,0,0]=4 4718 B10R1.16 CCCCc1cc([nH]n1)N 271570a_100020621405_100009822546 [0,1,0,0,1,0|2,0,0]=4 4719 B10R1.16 CCCCc1cc(cs1)C 271570a_100020621405_100009876951 [0,1,0,0,1,0|2,0,0]=4 4720 B10R1.16 CCCCc1ccc(s1)Br 271570a_100020621405_100010197418 [0,1,0,0,1,0|2,0,0]=4 4721 B10R1.16 CCCCc1ccc(s1)C 271570a_100020621405_100000761539 [0,1,0,0,1,0|2,0,0]=4 4722 B10R1.16 CCCCc1ccn(n1)C 271570a_100020621405_100000752436 [0,1,0,0,1,0|2,0,0]=4 4723 B10R1.16 CCCCc1cn(cn1)C 271570a_100020621405_100000040308 [0,1,0,0,1,0|2,0,0]=4 4724 B10R1.16 CCCCc1csc(c1)C 271570a_100020621405_100000759034 [0,1,0,0,1,0|2,0,0]=4 4725 B10R1.16 CCCCc1csc(n1)C 271570a_100020621405_100011934587 [0,1,0,0,1,0|2,0,0]=4 4726 B10R1.16 CCCCc1csc(n1)N 271570a_100020621405_100011998049 [0,1,0,0,1,0|2,0,0]=4 4727 B10R1.16 CCCCc1nc(c[nH]1)C 271570a_100020621405_100161115468 [0,1,0,0,1,0|2,0,0]=4 4728 B10R1.16 CCCCc1nc(cs1)Br 271570a_100020621405_200016082925 [0,1,0,0,1,0|2,0,0]=4 4729 B10R1.16 CCCCc1nc(cs1)C 271570a_100020621405_100011291629 [0,1,0,0,1,0|2,0,0]=4 4730 B10R1.16 CCCCc1nc(cs1)N 271570a_100020621405_200015188442 [0,1,0,0,1,0|2,0,0]=4 4731 B10R1.16 CCCCc1ncc(s1)C 271570a_100020621405_100000690809 [0,1,0,0,1,0|2,0,0]=4 4732 B10R1.16 CCCCn1cc(cn1)O 271570a_203496583355_200011400202 [0,1,0,0,1,0|2,0,0]=4 4733 B10R1.16 CNCCc1ccc(o1)C 2230a_100000739271_200000210301 [0,1,0,0,1,0|1,0,0]=3 4734 B10R1.16 CNCCc1ccc(o1)C 34a_100000739271_200000210301 [0,1,0,0,1,0|1,0,0]=3 4735 B10R1.16 CNCCc1ccc(s1)Br 2230a_100000217605_200000210301 [0,1,0,0,1,0|1,0,0]=3 4736 B10R1.16 CNCCc1csc(n1)C 2230a_102495365028_200000210301 [0,1,0,0,1,0|1,0,0]=3 4737 B10R1.16 CNCCc1csc(n1)C 2230a_106832991635_100000695623 [0,1,0,0,1,0|1,0,0]=3 4738 B10R1.16 CNCCc1csc(n1)C 34a_100102657272_100000695623 [0,1,0,0,1,0|1,0,0]=3 4739 B10R1.16 CNCCc1csc(n1)C 34a_102495365028_200000210301 [0,1,0,0,1,0|1,0,0]=3 4740 B10R1.16 CNCCc1csc(n1)C 7a_106832991635_100000695623 [0,1,0,0,1,0|1,0,0]=3 4741 B10R1.16 CNCCc1nc(cs1)C 2230a_100000736835_200000210301 [0,1,0,0,1,0|1,0,0]=3 4742 B10R1.16 CNCCc1nc(no1)C 34a_100000747544_200000210301 [0,1,0,0,1,0|2,0,0]=4 4743 B10R1.16 CNCCc1nnc(s1)C 2230a_100000733084_200000210301 [0,1,0,0,1,0|2,0,0]=4 4744 B10R1.16 CNCCn1cc(cn1)Br 2230a_100000730845_200000210301 [0,1,0,0,1,0|1,0,0]=3 4745 B10R1.16 CNCCn1cc(cn1)Br 34a_100000730845_200000210301 [0,1,0,0,1,0|1,0,0]=3 4746 B10R1.16 CNCCn1cc(cn1)Cl 2230a_106832991635_100011353933 [0,1,0,0,1,0|1,0,0]=3 4747 B10R1.16 CNCCn1cc(cn1)Cl 34a_200000238484_200000210301 [0,1,0,0,1,0|1,0,0]=3 4748 B10R1.16 CNCCn1cc(cn1)Cl 7a_106832991635_100011353933 [0,1,0,0,1,0|1,0,0]=3 4749 B10R1.16 CNCCn1ccc(n1)C 2230a_106832991635_200011934056 [0,1,0,0,1,0|1,0,0]=3 4750 B10R1.16 CNCCn1ccc(n1)C 7a_106832991635_200011934056 [0,1,0,0,1,0|1,0,0]=3 4751 B10R1.16 COCCc1ccc(o1)C 34a_100012161071_200000210301 [0,1,0,0,1,0|2,0,0]=4 4752 B10R1.16 COCCc1ccc(o1)C 7a_100012161071_200000210301 [0,1,0,0,1,0|2,0,0]=4 4753 B10R1.16 COCCc1csc(n1)C 34a_100011934828_200000210301 [0,1,0,0,1,0|2,0,0]=4 4754 B10R1.16 COCCc1csc(n1)C 34a_100138415774_100000695623 [0,1,0,0,1,0|2,0,0]=4 4755 B10R1.16 COCCn1cc(cn1)Br 34a_100011236722_200000210301 [0,1,0,0,1,0|2,0,0]=4 4756 B10R1.16 COCCn1cc(cn1)C 34a_100011363705_200000210301 [0,1,0,0,1,0|2,0,0]=4 4757 B10R1.16 COCCn1cc(cn1)Cl 34a_100011398116_200000210301 [0,1,0,0,1,0|2,0,0]=4 4758 B10R1.16 COCCn1cc(cn1)I 34a_100012072722_200000210301 [0,1,0,0,1,0|2,0,0]=4 4759 B10R1.16 COCCn1cc(cn1)N 34a_100000743930_200000210301 [0,1,0,0,1,0|2,0,0]=4 4760 B10R1.16 COCCn1cc(cn1)O 271570a_203496583355_100000753899 [0,1,0,0,1,0|2,0,0]=4 4761 B10R1.16 COCCn1ccc(n1)Br 34a_200010732121_200000210301 [0,1,0,0,1,0|2,0,0]=4 4762 B10R1.16 COCCn1ccc(n1)N 34a_100000752724_200000210301 [0,1,0,0,1,0|2,0,0]=4 4763 B10R1.16 CSCCc1csc(n1)C 62a_100000695623_200000210301 [0,1,0,0,1,0|2,0,0]=4 4764 B10R1.16 CSCCc1csc(n1)C 62a_200000210301_100000695623 [0,1,0,0,1,0|2,0,0]=4 4765 B10R1.16 CSCCn1cc(cn1)Cl 62a_100011353933_200000210301 [0,1,0,0,1,0|2,0,0]=4 4766 B10R1.16 CSCCn1cc(cn1)Cl 62a_200000210301_100011353933 [0,1,0,0,1,0|2,0,0]=4 4767 B10R1.16 CSCCn1ccc(n1)C 62a_200000210301_200011934056 [0,1,0,0,1,0|2,0,0]=4 4768 B10R1.16 CSCCn1ccc(n1)C 62a_200011934056_200000210301 [0,1,0,0,1,0|2,0,0]=4 4769 B10R1.16 Cc1ccc(o1)CCN[13CH3] 2230a_100000739271_200025704644 [0,1,0,0,1,0|1,0,0]=3 4770 B10R1.16 Cc1ccc(o1)CCN[13CH3] 34a_100000739271_200025704644 [0,1,0,0,1,0|1,0,0]=3 4771 B10R1.16 Cc1ccc(o1)CCO[13CH3] 34a_100012161071_200025704644 [0,1,0,0,1,0|2,0,0]=4 4772 B10R1.16 Cc1ccc(o1)CCO[13CH3] 7a_100012161071_200025704644 [0,1,0,0,1,0|2,0,0]=4 4773 B10R1.16 Cc1ccn(n1)CCS[13CH3] 62a_200011934056_200025704644 [0,1,0,0,1,0|2,0,0]=4 4774 B10R1.16 Cc1ccn(n1)CCS[13CH3] 62a_200025704644_200011934056 [0,1,0,0,1,0|2,0,0]=4 4775 B10R1.16 Cc1cnn(c1)CCO[13CH3] 34a_100011363705_200025704644 [0,1,0,0,1,0|2,0,0]=4 4776 B10R1.16 Cc1csc(n1)CCN[13CH3] 2230a_100000736835_200025704644 [0,1,0,0,1,0|1,0,0]=3 4777 B10R1.16 Cc1nc(cs1)CCN[13CH3] 2230a_102495365028_200025704644 [0,1,0,0,1,0|1,0,0]=3 4778 B10R1.16 Cc1nc(cs1)CCN[13CH3] 34a_102495365028_200025704644 [0,1,0,0,1,0|1,0,0]=3 4779 B10R1.16 Cc1nc(cs1)CCO[13CH3] 34a_100011934828_200025704644 [0,1,0,0,1,0|2,0,0]=4 4780 B10R1.16 Cc1nc(cs1)CCS[13CH3] 62a_100000695623_200025704644 [0,1,0,0,1,0|2,0,0]=4 4781 B10R1.16 Cc1nc(cs1)CCS[13CH3] 62a_200025704644_100000695623 [0,1,0,0,1,0|2,0,0]=4 4782 B10R1.16 Cc1nnc(s1)CCN[13CH3] 2230a_100000733084_200025704644 [0,1,0,0,1,0|2,0,0]=4 4783 B10R1.16 Cc1noc(n1)CCN[13CH3] 34a_100000747544_200025704644 [0,1,0,0,1,0|2,0,0]=4 4784 B10R1.16 [13CH3]NCCc1ccc(s1)Br 2230a_100000217605_200025704644 [0,1,0,0,1,0|1,0,0]=3 4785 B10R1.16 [13CH3]NCCn1cc(cn1)Br 2230a_100000730845_200025704644 [0,1,0,0,1,0|1,0,0]=3 4786 B10R1.16 [13CH3]NCCn1cc(cn1)Br 34a_100000730845_200025704644 [0,1,0,0,1,0|1,0,0]=3 4787 B10R1.16 [13CH3]NCCn1cc(cn1)Cl 34a_200000238484_200025704644 [0,1,0,0,1,0|1,0,0]=3 4788 B10R1.16 [13CH3]OCCn1cc(cn1)Br 34a_100011236722_200025704644 [0,1,0,0,1,0|2,0,0]=4 4789 B10R1.16 [13CH3]OCCn1cc(cn1)Cl 34a_100011398116_200025704644 [0,1,0,0,1,0|2,0,0]=4 4790 B10R1.16 [13CH3]OCCn1cc(cn1)I 34a_100012072722_200025704644 [0,1,0,0,1,0|2,0,0]=4 4791 B10R1.16 [13CH3]OCCn1cc(cn1)N 34a_100000743930_200025704644 [0,1,0,0,1,0|2,0,0]=4 4792 B10R1.16 [13CH3]OCCn1ccc(n1)Br 34a_200010732121_200025704644 [0,1,0,0,1,0|2,0,0]=4 4793 B10R1.16 [13CH3]OCCn1ccc(n1)N 34a_100000752724_200025704644 [0,1,0,0,1,0|2,0,0]=4 4794 B10R1.16 [13CH3]SCCn1cc(cn1)Cl 62a_100011353933_200025704644 [0,1,0,0,1,0|2,0,0]=4 4795 B10R1.16 [13CH3]SCCn1cc(cn1)Cl 62a_200025704644_100011353933 [0,1,0,0,1,0|2,0,0]=4 4796 B10R1.21 CCCCOc1ccsc1 34a_100000106738_100000210210 [0,1,0,0,1,0|2,0,0]=4 4797 B10R1.21 CCCCOc1ccsc1 7a_100000106738_100000210211 [0,1,0,0,1,0|2,0,0]=4 4798 B10R1.21 CCCCSc1c[nH]cn1 62a_100000210211_100000756875 [0,1,0,0,1,0|2,0,0]=4 4799 B10R1.21 CCCCSc1c[nH]cn1 62a_100000756875_100000210210 [0,1,0,0,1,0|2,0,0]=4 4800 B10R1.21 CCCCSc1cc[nH]n1 62a_100000062575_100000210210 [0,1,0,0,1,0|2,0,0]=4 4801 B10R1.21 CCCCSc1cc[nH]n1 62a_100000210211_100000062575 [0,1,0,0,1,0|2,0,0]=4 4802 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [0,1,0,0,1,0|2,0,0]=4 4803 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [0,1,0,0,1,0|2,0,0]=4 4804 B10R1.21 CCCCSc1cccs1 62a_100000210211_100011215356 [0,1,0,0,1,0|2,0,0]=4 4805 B10R1.21 CCCCSc1cccs1 62a_100011215356_100000210210 [0,1,0,0,1,0|2,0,0]=4 4806 B10R1.21 CCCCSc1ccoc1 62a_100000210211_100011215275 [0,1,0,0,1,0|2,0,0]=4 4807 B10R1.21 CCCCSc1ccoc1 62a_100011215275_100000210210 [0,1,0,0,1,0|2,0,0]=4 4808 B10R1.21 CCCCSc1ccon1 62a_100000210211_100009818083 [0,1,0,0,1,0|2,0,0]=4 4809 B10R1.21 CCCCSc1ccon1 62a_100009818083_100000210210 [0,1,0,0,1,0|2,0,0]=4 4810 B10R1.21 CCCCSc1ccsc1 62a_100000210211_100000738268 [0,1,0,0,1,0|2,0,0]=4 4811 B10R1.21 CCCCSc1ccsc1 62a_100000738268_100000210210 [0,1,0,0,1,0|2,0,0]=4 4812 B10R1.21 CCCCSc1ccsn1 62a_100000210211_100009818082 [0,1,0,0,1,0|2,0,0]=4 4813 B10R1.21 CCCCSc1ccsn1 62a_100009818082_100000210210 [0,1,0,0,1,0|2,0,0]=4 4814 B10R1.21 CCCCSc1cscn1 62a_100000210211_100000751502 [0,1,0,0,1,0|2,0,0]=4 4815 B10R1.21 CCCCSc1cscn1 62a_100000751502_100000210210 [0,1,0,0,1,0|2,0,0]=4 4816 B10R1.21 CCCCSc1ncc[nH]1 62a_100000210211_100025796157 [0,1,0,0,1,0|2,0,0]=4 4817 B10R1.21 CCCCSc1ncc[nH]1 62a_100025796157_100000210210 [0,1,0,0,1,0|2,0,0]=4 4818 B10R1.21 CCCCSc1ncco1 62a_100000210211_100011787736 [0,1,0,0,1,0|2,0,0]=4 4819 B10R1.21 CCCCSc1ncco1 62a_100011787736_100000210210 [0,1,0,0,1,0|2,0,0]=4 4820 B10R1.21 CCCCSc1nccs1 62a_100000210211_100000211983 [0,1,0,0,1,0|2,0,0]=4 4821 B10R1.21 CCCCSc1nccs1 62a_100000211983_100000210210 [0,1,0,0,1,0|2,0,0]=4 4822 B10R1.21 CCCNCc1cc[nH]n1 207a_100020643023_100000738523 [0,1,0,0,1,0|2,0,0]=4 4823 B10R1.21 CCCNCc1cc[nH]n1 270004a_100020643023_100000738523 [0,1,0,0,1,0|2,0,0]=4 4824 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [0,1,0,0,1,0|2,0,0]=4 4825 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [0,1,0,0,1,0|2,0,0]=4 4826 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [0,1,0,0,1,0|2,0,0]=4 4827 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [0,1,0,0,1,0|2,0,0]=4 4828 B10R1.21 CCCNCc1cccs1 207a_100020643023_100000209959 [0,1,0,0,1,0|2,0,0]=4 4829 B10R1.21 CCCNCc1cccs1 2230a_100000211653_100000210303 [0,1,0,0,1,0|2,0,0]=4 4830 B10R1.21 CCCNCc1cccs1 270004a_100020643023_100000209959 [0,1,0,0,1,0|2,0,0]=4 4831 B10R1.21 CCCNCc1ccoc1 207a_100020643023_100011215517 [0,1,0,0,1,0|2,0,0]=4 4832 B10R1.21 CCCNCc1ccoc1 2230a_100015206860_100000210303 [0,1,0,0,1,0|2,0,0]=4 4833 B10R1.21 CCCNCc1ccoc1 270004a_100020643023_100011215517 [0,1,0,0,1,0|2,0,0]=4 4834 B10R1.21 CCCNCc1ccoc1 34a_100015206860_100000210303 [0,1,0,0,1,0|2,0,0]=4 4835 B10R1.21 CCCNCc1ccsc1 207a_100020643023_100000188534 [0,1,0,0,1,0|2,0,0]=4 4836 B10R1.21 CCCNCc1ccsc1 2230a_100000186416_100000210303 [0,1,0,0,1,0|2,0,0]=4 4837 B10R1.21 CCCNCc1ccsc1 270004a_100020643023_100000188534 [0,1,0,0,1,0|2,0,0]=4 4838 B10R1.21 CCCNCc1ccsc1 34a_100000186416_100000210303 [0,1,0,0,1,0|2,0,0]=4 4839 B10R1.21 CCCNCc1cocn1 270004a_100020643023_100000050382 [0,1,0,0,1,0|2,0,0]=4 4840 B10R1.21 CCCNCc1cscn1 207a_100020643023_100000743575 [0,1,0,0,1,0|2,0,0]=4 4841 B10R1.21 CCCNCc1cscn1 2230a_100015185402_100000210303 [0,1,0,0,1,0|2,0,0]=4 4842 B10R1.21 CCCNCc1cscn1 270004a_100020643023_100000743575 [0,1,0,0,1,0|2,0,0]=4 4843 B10R1.21 CCCNCc1ncc[nH]1 207a_100020643023_100000743867 [0,1,0,0,1,0|2,0,0]=4 4844 B10R1.21 CCCNCc1ncco1 2230a_100016994969_100000210303 [0,1,0,0,1,0|2,0,0]=4 4845 B10R1.21 CCCNCc1ncco1 270004a_100020643023_100000064290 [0,1,0,0,1,0|2,0,0]=4 4846 B10R1.21 CCCNCc1nccs1 207a_100020643023_100000750902 [0,1,0,0,1,0|2,0,0]=4 4847 B10R1.21 CCCNCc1nccs1 2230a_100000740555_100000210303 [0,1,0,0,1,0|2,0,0]=4 4848 B10R1.21 CCCNCc1nccs1 270004a_100020643023_100000750902 [0,1,0,0,1,0|2,0,0]=4 4849 B10R1.21 CCCOCc1c[nH]cn1 34a_100000210258_100000707719 [0,1,0,0,1,0|2,0,0]=4 4850 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [0,1,0,0,1,0|2,0,0]=4 4851 B10R1.21 CCCOCc1cccs1 34a_100000211240_100000210303 [0,1,0,0,1,0|2,0,0]=4 4852 B10R1.21 CCCOCc1ccoc1 34a_100011215357_100000210303 [0,1,0,0,1,0|2,0,0]=4 4853 B10R1.21 CCCOCc1ccon1 34a_100000210258_100000234950 [0,1,0,0,1,0|2,0,0]=4 4854 B10R1.21 CCCOCc1ccsc1 34a_100000210258_100011261437 [0,1,0,0,1,0|2,0,0]=4 4855 B10R1.21 CCCOCc1ccsc1 34a_100011215551_100000210303 [0,1,0,0,1,0|2,0,0]=4 4856 B10R1.21 CCCOCc1cscn1 34a_100000210258_100000205941 [0,1,0,0,1,0|2,0,0]=4 4857 B10R1.21 CCCOCc1ncc[nH]1 34a_100000210258_100016991755 [0,1,0,0,1,0|2,0,0]=4 4858 B10R1.21 CCCOCc1ncco1 34a_100000062594_100000210303 [0,1,0,0,1,0|2,0,0]=4 4859 B10R1.21 CCCOCc1ncco1 34a_100000210258_103436540062 [0,1,0,0,1,0|2,0,0]=4 4860 B10R1.21 CCCOCc1nccs1 34a_100000210258_100015184050 [0,1,0,0,1,0|2,0,0]=4 4861 B10R1.21 CCCOCn1cccn1 34a_100000731028_100000210303 [0,1,0,0,1,0|2,0,0]=4 4862 B10R1.21 CCCSCc1c[nH]cn1 62a_100000210303_100000707719 [0,1,0,0,1,0|2,0,0]=4 4863 B10R1.21 CCCSCc1c[nH]cn1 62a_100000707719_100000210303 [0,1,0,0,1,0|2,0,0]=4 4864 B10R1.21 CCCSCc1ccon1 62a_100000210303_100000234950 [0,1,0,0,1,0|2,0,0]=4 4865 B10R1.21 CCCSCc1ccon1 62a_100000234950_100000210303 [0,1,0,0,1,0|2,0,0]=4 4866 B10R1.21 CCCSCc1ccsc1 62a_100000210303_100011233845 [0,1,0,0,1,0|2,0,0]=4 4867 B10R1.21 CCCSCc1ccsc1 62a_100011261437_100000210303 [0,1,0,0,1,0|2,0,0]=4 4868 B10R1.21 CCCSCc1cscn1 62a_100000205941_100000210303 [0,1,0,0,1,0|2,0,0]=4 4869 B10R1.21 CCCSCc1cscn1 62a_100000210303_100000205941 [0,1,0,0,1,0|2,0,0]=4 4870 B10R1.21 CCCSCc1ncc[nH]1 62a_100000210303_100016991755 [0,1,0,0,1,0|2,0,0]=4 4871 B10R1.21 CCCSCc1ncc[nH]1 62a_100016991755_100000210303 [0,1,0,0,1,0|2,0,0]=4 4872 B10R1.21 CCCSCc1ncco1 62a_100000210303_103436540062 [0,1,0,0,1,0|2,0,0]=4 4873 B10R1.21 CCCSCc1ncco1 62a_103436540062_100000210303 [0,1,0,0,1,0|2,0,0]=4 4874 B10R1.21 CCCSCc1nccs1 62a_100000210303_100015184050 [0,1,0,0,1,0|2,0,0]=4 4875 B10R1.21 CCCSCc1nccs1 62a_100015184050_100000210303 [0,1,0,0,1,0|2,0,0]=4 4876 B10R1.21 CCNCCc1c[nH]cn1 2230a_100015525214_100020628418 [0,1,0,0,1,0|1,0,0]=3 4877 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [0,1,0,0,1,0|1,0,0]=3 4878 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [0,1,0,0,1,0|1,0,0]=3 4879 B10R1.21 CCNCCc1cccs1 2230a_100000203755_100000210202 [0,1,0,0,1,0|1,0,0]=3 4880 B10R1.21 CCNCCc1cccs1 2230a_100015525214_100000748579 [0,1,0,0,1,0|1,0,0]=3 4881 B10R1.21 CCNCCc1cccs1 34a_100000203755_100000210202 [0,1,0,0,1,0|1,0,0]=3 4882 B10R1.21 CCNCCc1ccsc1 2230a_100000692642_100000210202 [0,1,0,0,1,0|1,0,0]=3 4883 B10R1.21 CCNCCc1ccsc1 34a_100000692642_100000210202 [0,1,0,0,1,0|1,0,0]=3 4884 B10R1.21 CCNCCc1cn[nH]c1 2230a_100000732747_100000210202 [0,1,0,0,1,0|2,0,0]=4 4885 B10R1.21 CCNCCc1cn[nH]c1 2230a_100015525214_100000743252 [0,1,0,0,1,0|2,0,0]=4 4886 B10R1.21 CCNCCc1cncs1 2230a_100016991637_100000210202 [0,1,0,0,1,0|2,0,0]=4 4887 B10R1.21 CCNCCc1nccs1 2230a_100015186391_100000210202 [0,1,0,0,1,0|1,0,0]=3 4888 B10R1.21 CCNCCn1cccc1 2230a_100015525214_200009811947 [0,1,0,0,1,0|1,0,0]=3 4889 B10R1.21 CCNCCn1cccc1 34a_100011368172_100000210202 [0,1,0,0,1,0|1,0,0]=3 4890 B10R1.21 CCNCCn1cccn1 2230a_100011200920_100000210202 [0,1,0,0,1,0|1,0,0]=3 4891 B10R1.21 CCNCCn1cccn1 2230a_100015525214_100000685285 [0,1,0,0,1,0|1,0,0]=3 4892 B10R1.21 CCNCCn1cncn1 2230a_100015525214_100000731791 [0,1,0,0,1,0|2,0,0]=4 4893 B10R1.21 CCNCCn1cncn1 2230a_200000738561_100000210202 [0,1,0,0,1,0|2,0,0]=4 4894 B10R1.21 CCOCCc1cccs1 34a_100011216825_100000210202 [0,1,0,0,1,0|2,0,0]=4 4895 B10R1.21 CCOCCc1cccs1 34a_100121572206_100000748579 [0,1,0,0,1,0|2,0,0]=4 4896 B10R1.21 CCOCCc1cccs1 7a_100011216825_100000210202 [0,1,0,0,1,0|2,0,0]=4 4897 B10R1.21 CCOCCc1ccsc1 34a_100000748821_100000210202 [0,1,0,0,1,0|2,0,0]=4 4898 B10R1.21 CCOCCc1ncc[nH]1 34a_103549771195_100000210202 [0,1,0,0,1,0|2,0,0]=4 4899 B10R1.21 CCOCCn1cccc1 34a_100000179382_100000210202 [0,1,0,0,1,0|2,0,0]=4 4900 B10R1.21 CCOCCn1cccn1 34a_100000743371_100000210202 [0,1,0,0,1,0|2,0,0]=4 4901 B10R1.21 CCOCCn1cccn1 34a_100121572206_100015204718 [0,1,0,0,1,0|2,0,0]=4 4902 B10R1.21 CCSCCc1c[nH]cn1 62a_100000210202_100020628418 [0,1,0,0,1,0|2,0,0]=4 4903 B10R1.21 CCSCCc1c[nH]cn1 62a_100020628418_100000210202 [0,1,0,0,1,0|2,0,0]=4 4904 B10R1.21 CCSCCc1cccs1 62a_100000210202_100000748579 [0,1,0,0,1,0|2,0,0]=4 4905 B10R1.21 CCSCCc1cccs1 62a_100000748579_100000210202 [0,1,0,0,1,0|2,0,0]=4 4906 B10R1.21 CCSCCn1cccc1 62a_100000210202_200000035178 [0,1,0,0,1,0|2,0,0]=4 4907 B10R1.21 CCSCCn1cccc1 62a_200009811947_100000210202 [0,1,0,0,1,0|2,0,0]=4 4908 B10R1.21 CCSCCn1cccn1 62a_100000210202_100000685285 [0,1,0,0,1,0|2,0,0]=4 4909 B10R1.21 CCSCCn1cccn1 62a_100015204718_100000210202 [0,1,0,0,1,0|2,0,0]=4 4910 B10R1.21 CNCC=Cc1ccco1 270004a_106832991635_100000185671 [0,1,0,0,1,0|1,0,1]=4 4911 B10R1.21 CNCCCc1cccs1 2230a_106832991635_100010992444 [0,1,0,0,1,0|1,0,0]=3 4912 B10R1.21 CNCCCc1cccs1 34a_100102657272_100010992444 [0,1,0,0,1,0|1,0,0]=3 4913 B10R1.21 CNCCCc1cccs1 7a_106832991635_100010992444 [0,1,0,0,1,0|1,0,0]=3 4914 B10R1.21 CNCCCn1cccc1 2230a_106832991635_200009814367 [0,1,0,0,1,0|1,0,0]=3 4915 B10R1.21 CNCCCn1cccc1 34a_100102657272_200009814367 [0,1,0,0,1,0|1,0,0]=3 4916 B10R1.21 CNCCCn1cccc1 7a_106832991635_200009814367 [0,1,0,0,1,0|1,0,0]=3 4917 B10R1.21 CNCCCn1cccn1 2230a_106832991635_100000739983 [0,1,0,0,1,0|1,0,0]=3 4918 B10R1.21 CNCCCn1cccn1 7a_106832991635_100000739983 [0,1,0,0,1,0|1,0,0]=3 4919 B10R1.21 CNCCCn1ccnc1 2230a_106832991635_100000756272 [0,1,0,0,1,0|2,0,0]=4 4920 B10R1.21 CNCCCn1ccnc1 34a_100102657272_100000756272 [0,1,0,0,1,0|2,0,0]=4 4921 B10R1.21 CNCCCn1ccnc1 7a_106832991635_100000756272 [0,1,0,0,1,0|2,0,0]=4 4922 B10R1.21 CNCCCn1cncn1 2230a_106832991635_100102700105 [0,1,0,0,1,0|2,0,0]=4 4923 B10R1.21 CNCCCn1cncn1 34a_100102657272_100102700105 [0,1,0,0,1,0|2,0,0]=4 4924 B10R1.21 CNCCCn1cncn1 7a_106832991635_100102700105 [0,1,0,0,1,0|2,0,0]=4 4925 B10R1.21 COCCCc1cccs1 34a_100011713143_200000210301 [0,1,0,0,1,0|2,0,0]=4 4926 B10R1.21 COCCCc1cccs1 34a_100138415774_100010992444 [0,1,0,0,1,0|2,0,0]=4 4927 B10R1.21 COCCCc1cccs1 7a_100011713143_200000210301 [0,1,0,0,1,0|2,0,0]=4 4928 B10R1.21 COCCCc1ccsc1 34a_200000699776_200000210301 [0,1,0,0,1,0|2,0,0]=4 4929 B10R1.21 COCCCc1ccsc1 7a_200000699776_200000210301 [0,1,0,0,1,0|2,0,0]=4 4930 B10R1.21 COCCCn1cccc1 34a_100000179399_200000210301 [0,1,0,0,1,0|2,0,0]=4 4931 B10R1.21 COCCCn1cccc1 34a_100138415774_200009814367 [0,1,0,0,1,0|2,0,0]=4 4932 B10R1.21 COCCCn1cccc1 7a_100000179399_200000210301 [0,1,0,0,1,0|2,0,0]=4 4933 B10R1.21 COCCCn1cccn1 34a_100000753614_200000210301 [0,1,0,0,1,0|2,0,0]=4 4934 B10R1.21 COCCOc1ccsc1 34a_100000106738_100011201679 [0,1,0,0,1,0|2,0,0]=4 4935 B10R1.21 COCCOc1ccsc1 7a_100000106738_100000233755 [0,1,0,0,1,0|2,0,0]=4 4936 B10R1.21 COCCSc1c[nH]cn1 62a_100000233755_100000756875 [0,1,0,0,1,0|2,0,0]=4 4937 B10R1.21 COCCSc1c[nH]cn1 62a_100000756875_100000233755 [0,1,0,0,1,0|2,0,0]=4 4938 B10R1.21 COCCSc1cc[nH]n1 62a_100000062575_100000233755 [0,1,0,0,1,0|2,0,0]=4 4939 B10R1.21 COCCSc1cc[nH]n1 62a_100000233755_100000062575 [0,1,0,0,1,0|2,0,0]=4 4940 B10R1.21 COCCSc1ccco1 62a_100000233755_100009814098 [0,1,0,0,1,0|2,0,0]=4 4941 B10R1.21 COCCSc1ccco1 62a_100009814098_100000233755 [0,1,0,0,1,0|2,0,0]=4 4942 B10R1.21 COCCSc1cccs1 62a_100000233755_100011215356 [0,1,0,0,1,0|2,0,0]=4 4943 B10R1.21 COCCSc1cccs1 62a_100011215356_100000233755 [0,1,0,0,1,0|2,0,0]=4 4944 B10R1.21 COCCSc1ccoc1 62a_100000233755_100011215275 [0,1,0,0,1,0|2,0,0]=4 4945 B10R1.21 COCCSc1ccoc1 62a_100011215275_100000233755 [0,1,0,0,1,0|2,0,0]=4 4946 B10R1.21 COCCSc1ccon1 62a_100000233755_100009818083 [0,1,0,0,1,0|2,0,0]=4 4947 B10R1.21 COCCSc1ccon1 62a_100009818083_100000233755 [0,1,0,0,1,0|2,0,0]=4 4948 B10R1.21 COCCSc1ccsc1 62a_100000233755_100000738268 [0,1,0,0,1,0|2,0,0]=4 4949 B10R1.21 COCCSc1ccsc1 62a_100000738268_100000233755 [0,1,0,0,1,0|2,0,0]=4 4950 B10R1.21 COCCSc1ccsn1 62a_100000233755_100009818082 [0,1,0,0,1,0|2,0,0]=4 4951 B10R1.21 COCCSc1ccsn1 62a_100009818082_100000233755 [0,1,0,0,1,0|2,0,0]=4 4952 B10R1.21 COCCSc1cscn1 62a_100000233755_100000751502 [0,1,0,0,1,0|2,0,0]=4 4953 B10R1.21 COCCSc1cscn1 62a_100000751502_100000233755 [0,1,0,0,1,0|2,0,0]=4 4954 B10R1.21 COCCSc1ncc[nH]1 62a_100000233755_100025796157 [0,1,0,0,1,0|2,0,0]=4 4955 B10R1.21 COCCSc1ncc[nH]1 62a_100025796157_100000233755 [0,1,0,0,1,0|2,0,0]=4 4956 B10R1.21 COCCSc1ncco1 62a_100000233755_100011787736 [0,1,0,0,1,0|2,0,0]=4 4957 B10R1.21 COCCSc1ncco1 62a_100011787736_100000233755 [0,1,0,0,1,0|2,0,0]=4 4958 B10R1.21 COCCSc1nccs1 62a_100000211983_100000233755 [0,1,0,0,1,0|2,0,0]=4 4959 B10R1.21 COCCSc1nccs1 62a_100000233755_100000211983 [0,1,0,0,1,0|2,0,0]=4 4960 B10R1.21 COCNCc1ccco1 2230a_100000185738_100000766300 [0,1,0,0,1,0|2,0,0]=4 4961 B10R1.21 COCNCc1cccs1 2230a_100000211653_100000766300 [0,1,0,0,1,0|2,0,0]=4 4962 B10R1.21 COCNCc1ccoc1 2230a_100015206860_100000766300 [0,1,0,0,1,0|2,0,0]=4 4963 B10R1.21 COCNCc1ccsc1 2230a_100000186416_100000766300 [0,1,0,0,1,0|2,0,0]=4 4964 B10R1.21 COCNCc1cscn1 2230a_100015185402_100000766300 [0,1,0,0,1,0|2,0,0]=4 4965 B10R1.21 COCNCc1ncco1 2230a_100016994969_100000766300 [0,1,0,0,1,0|2,0,0]=4 4966 B10R1.21 COCNCc1nccs1 2230a_100000740555_100000766300 [0,1,0,0,1,0|2,0,0]=4 4967 B10R1.21 COCSCc1c[nH]cn1 62a_100000707719_100000766300 [0,1,0,0,1,0|2,0,0]=4 4968 B10R1.21 COCSCc1c[nH]cn1 62a_100000766300_100000707719 [0,1,0,0,1,0|2,0,0]=4 4969 B10R1.21 COCSCc1ccon1 62a_100000234950_100000766300 [0,1,0,0,1,0|2,0,0]=4 4970 B10R1.21 COCSCc1ccon1 62a_100000766300_100000234950 [0,1,0,0,1,0|2,0,0]=4 4971 B10R1.21 COCSCc1ccsc1 62a_100000766300_100011233845 [0,1,0,0,1,0|2,0,0]=4 4972 B10R1.21 COCSCc1ccsc1 62a_100011261437_100000766300 [0,1,0,0,1,0|2,0,0]=4 4973 B10R1.21 COCSCc1cscn1 62a_100000205941_100000766300 [0,1,0,0,1,0|2,0,0]=4 4974 B10R1.21 COCSCc1cscn1 62a_100000766300_100000205941 [0,1,0,0,1,0|2,0,0]=4 4975 B10R1.21 COCSCc1ncc[nH]1 62a_100000766300_100016991755 [0,1,0,0,1,0|2,0,0]=4 4976 B10R1.21 COCSCc1ncc[nH]1 62a_100016991755_100000766300 [0,1,0,0,1,0|2,0,0]=4 4977 B10R1.21 COCSCc1ncco1 62a_100000766300_103436540062 [0,1,0,0,1,0|2,0,0]=4 4978 B10R1.21 COCSCc1ncco1 62a_103436540062_100000766300 [0,1,0,0,1,0|2,0,0]=4 4979 B10R1.21 COCSCc1nccs1 62a_100000766300_100015184050 [0,1,0,0,1,0|2,0,0]=4 4980 B10R1.21 COCSCc1nccs1 62a_100015184050_100000766300 [0,1,0,0,1,0|2,0,0]=4 4981 B10R1.21 CSCCCc1cccs1 62a_100010992444_200000210301 [0,1,0,0,1,0|2,0,0]=4 4982 B10R1.21 CSCCCc1cccs1 62a_200000210301_100010992444 [0,1,0,0,1,0|2,0,0]=4 4983 B10R1.21 CSCCCn1cccc1 62a_200000210301_200009814367 [0,1,0,0,1,0|2,0,0]=4 4984 B10R1.21 CSCCCn1cccc1 62a_200009814367_200000210301 [0,1,0,0,1,0|2,0,0]=4 4985 B10R1.21 CSCCCn1cccn1 62a_100000739983_200000210301 [0,1,0,0,1,0|2,0,0]=4 4986 B10R1.21 CSCCCn1cccn1 62a_200000210301_100000739983 [0,1,0,0,1,0|2,0,0]=4 4987 B10R1.21 CSCCOc1ccsc1 34a_100000106738_100000212216 [0,1,0,0,1,0|2,0,0]=4 4988 B10R1.21 CSCCOc1ccsc1 7a_100000106738_100000212216 [0,1,0,0,1,0|2,0,0]=4 4989 B10R1.21 CSCCSc1c[nH]cn1 62a_100000212216_100000756875 [0,1,0,0,1,0|2,0,0]=4 4990 B10R1.21 CSCCSc1c[nH]cn1 62a_100000756875_100000751147 [0,1,0,0,1,0|2,0,0]=4 4991 B10R1.21 CSCCSc1cc[nH]n1 62a_100000062575_100000751147 [0,1,0,0,1,0|2,0,0]=4 4992 B10R1.21 CSCCSc1cc[nH]n1 62a_100000212216_100000062575 [0,1,0,0,1,0|2,0,0]=4 4993 B10R1.21 CSCCSc1ccco1 62a_100000212216_100009814098 [0,1,0,0,1,0|2,0,0]=4 4994 B10R1.21 CSCCSc1ccco1 62a_100009814098_100000751147 [0,1,0,0,1,0|2,0,0]=4 4995 B10R1.21 CSCCSc1cccs1 62a_100000212216_100011215356 [0,1,0,0,1,0|2,0,0]=4 4996 B10R1.21 CSCCSc1cccs1 62a_100011215356_100000751147 [0,1,0,0,1,0|2,0,0]=4 4997 B10R1.21 CSCCSc1ccoc1 62a_100000212216_100011215275 [0,1,0,0,1,0|2,0,0]=4 4998 B10R1.21 CSCCSc1ccoc1 62a_100011215275_100000751147 [0,1,0,0,1,0|2,0,0]=4 4999 B10R1.21 CSCCSc1ccon1 62a_100000212216_100009818083 [0,1,0,0,1,0|2,0,0]=4 5000 B10R1.21 CSCCSc1ccon1 62a_100009818083_100000751147 [0,1,0,0,1,0|2,0,0]=4 5001 B10R1.21 CSCCSc1ccsc1 62a_100000212216_100000738268 [0,1,0,0,1,0|2,0,0]=4 5002 B10R1.21 CSCCSc1ccsc1 62a_100000738268_100000751147 [0,1,0,0,1,0|2,0,0]=4 5003 B10R1.21 CSCCSc1ccsn1 62a_100000212216_100009818082 [0,1,0,0,1,0|2,0,0]=4 5004 B10R1.21 CSCCSc1ccsn1 62a_100009818082_100000751147 [0,1,0,0,1,0|2,0,0]=4 5005 B10R1.21 CSCCSc1cscn1 62a_100000212216_100000751502 [0,1,0,0,1,0|2,0,0]=4 5006 B10R1.21 CSCCSc1cscn1 62a_100000751502_100000751147 [0,1,0,0,1,0|2,0,0]=4 5007 B10R1.21 CSCCSc1ncc[nH]1 62a_100000212216_100025796157 [0,1,0,0,1,0|2,0,0]=4 5008 B10R1.21 CSCCSc1ncc[nH]1 62a_100025796157_100000751147 [0,1,0,0,1,0|2,0,0]=4 5009 B10R1.21 CSCCSc1ncco1 62a_100000212216_100011787736 [0,1,0,0,1,0|2,0,0]=4 5010 B10R1.21 CSCCSc1ncco1 62a_100011787736_100000751147 [0,1,0,0,1,0|2,0,0]=4 5011 B10R1.21 CSCCSc1nccs1 62a_100000211983_100000751147 [0,1,0,0,1,0|2,0,0]=4 5012 B10R1.21 CSCCSc1nccs1 62a_100000212216_100000211983 [0,1,0,0,1,0|2,0,0]=4 5013 B10R1.21 CSCNCc1ccco1 2230a_100000185738_100011218213 [0,1,0,0,1,0|2,0,0]=4 5014 B10R1.21 CSCNCc1ccco1 34a_100000185738_100011218213 [0,1,0,0,1,0|2,0,0]=4 5015 B10R1.21 CSCNCc1cccs1 2230a_100000211653_100011218213 [0,1,0,0,1,0|2,0,0]=4 5016 B10R1.21 CSCNCc1ccoc1 2230a_100015206860_100011218213 [0,1,0,0,1,0|2,0,0]=4 5017 B10R1.21 CSCNCc1ccoc1 34a_100015206860_100011218213 [0,1,0,0,1,0|2,0,0]=4 5018 B10R1.21 CSCNCc1ccsc1 2230a_100000186416_100011218213 [0,1,0,0,1,0|2,0,0]=4 5019 B10R1.21 CSCNCc1ccsc1 34a_100000186416_100011218213 [0,1,0,0,1,0|2,0,0]=4 5020 B10R1.21 CSCNCc1cscn1 2230a_100015185402_100011218213 [0,1,0,0,1,0|2,0,0]=4 5021 B10R1.21 CSCNCc1ncco1 2230a_100016994969_100011218213 [0,1,0,0,1,0|2,0,0]=4 5022 B10R1.21 CSCNCc1nccs1 2230a_100000740555_100011218213 [0,1,0,0,1,0|2,0,0]=4 5023 B10R1.21 CSCOCc1ccco1 34a_100000210059_100011218213 [0,1,0,0,1,0|2,0,0]=4 5024 B10R1.21 CSCOCc1cccs1 34a_100000211240_100011218213 [0,1,0,0,1,0|2,0,0]=4 5025 B10R1.21 CSCOCc1ccoc1 34a_100011215357_100011218213 [0,1,0,0,1,0|2,0,0]=4 5026 B10R1.21 CSCOCc1ccsc1 34a_100011215551_100011218213 [0,1,0,0,1,0|2,0,0]=4 5027 B10R1.21 CSCOCc1ncco1 34a_100000062594_100011218213 [0,1,0,0,1,0|2,0,0]=4 5028 B10R1.21 CSCOCn1cccn1 34a_100000731028_100011218213 [0,1,0,0,1,0|2,0,0]=4 5029 B10R1.21 CSCSCc1c[nH]cn1 62a_100000707719_100011218213 [0,1,0,0,1,0|2,0,0]=4 5030 B10R1.21 CSCSCc1c[nH]cn1 62a_100011218213_100000707719 [0,1,0,0,1,0|2,0,0]=4 5031 B10R1.21 CSCSCc1ccon1 62a_100000234950_100011218213 [0,1,0,0,1,0|2,0,0]=4 5032 B10R1.21 CSCSCc1ccon1 62a_100011218213_100000234950 [0,1,0,0,1,0|2,0,0]=4 5033 B10R1.21 CSCSCc1ccsc1 62a_100011218213_100011233845 [0,1,0,0,1,0|2,0,0]=4 5034 B10R1.21 CSCSCc1ccsc1 62a_100011261437_100011218213 [0,1,0,0,1,0|2,0,0]=4 5035 B10R1.21 CSCSCc1cscn1 62a_100000205941_100011218213 [0,1,0,0,1,0|2,0,0]=4 5036 B10R1.21 CSCSCc1cscn1 62a_100011218213_100000205941 [0,1,0,0,1,0|2,0,0]=4 5037 B10R1.21 CSCSCc1ncc[nH]1 62a_100011218213_100016991755 [0,1,0,0,1,0|2,0,0]=4 5038 B10R1.21 CSCSCc1ncc[nH]1 62a_100016991755_100011218213 [0,1,0,0,1,0|2,0,0]=4 5039 B10R1.21 CSCSCc1ncco1 62a_100011218213_103436540062 [0,1,0,0,1,0|2,0,0]=4 5040 B10R1.21 CSCSCc1ncco1 62a_103436540062_100011218213 [0,1,0,0,1,0|2,0,0]=4 5041 B10R1.21 CSCSCc1nccs1 62a_100011218213_100015184050 [0,1,0,0,1,0|2,0,0]=4 5042 B10R1.21 CSCSCc1nccs1 62a_100015184050_100011218213 [0,1,0,0,1,0|2,0,0]=4 5043 B10R1.21 FCNCCc1ccco1 34a_100000694680_100015361967 [0,1,0,0,1,0|1,0,0]=3 5044 B10R1.21 FCNCCc1cccs1 34a_100000203755_100015361967 [0,1,0,0,1,0|1,0,0]=3 5045 B10R1.21 FCNCCc1ccsc1 34a_100000692642_100015361967 [0,1,0,0,1,0|1,0,0]=3 5046 B10R1.21 FCNCCn1cccc1 34a_100011368172_100015361967 [0,1,0,0,1,0|1,0,0]=3 5047 B10R1.21 FCOCCc1cccs1 34a_100011216825_100015361967 [0,1,0,0,1,0|2,0,0]=4 5048 B10R1.21 FCOCCc1cccs1 7a_100011216825_100015361967 [0,1,0,0,1,0|2,0,0]=4 5049 B10R1.21 FCOCCc1ccsc1 34a_100000748821_100015361967 [0,1,0,0,1,0|2,0,0]=4 5050 B10R1.21 FCOCCc1ncc[nH]1 34a_103549771195_100015361967 [0,1,0,0,1,0|2,0,0]=4 5051 B10R1.21 FCOCCn1cccc1 34a_100000179382_100015361967 [0,1,0,0,1,0|2,0,0]=4 5052 B10R1.21 FCOCCn1cccn1 34a_100000743371_100015361967 [0,1,0,0,1,0|2,0,0]=4 5053 B10R1.21 FCSCCc1c[nH]cn1 62a_100015361967_100020628418 [0,1,0,0,1,0|2,0,0]=4 5054 B10R1.21 FCSCCc1c[nH]cn1 62a_100020628418_100015361967 [0,1,0,0,1,0|2,0,0]=4 5055 B10R1.21 FCSCCc1cccs1 62a_100000748579_100015361967 [0,1,0,0,1,0|2,0,0]=4 5056 B10R1.21 FCSCCc1cccs1 62a_100015361967_100000748579 [0,1,0,0,1,0|2,0,0]=4 5057 B10R1.21 FCSCCn1cccc1 62a_100015361967_200000035178 [0,1,0,0,1,0|2,0,0]=4 5058 B10R1.21 FCSCCn1cccc1 62a_200009811947_100015361967 [0,1,0,0,1,0|2,0,0]=4 5059 B10R1.21 FCSCCn1cccn1 62a_100015204718_100015361967 [0,1,0,0,1,0|2,0,0]=4 5060 B10R1.21 FCSCCn1cccn1 62a_100015361967_100000685285 [0,1,0,0,1,0|2,0,0]=4 5061 B10R1.21 [13CH3]OCCCc1cccs1 34a_100011713143_200025704644 [0,1,0,0,1,0|2,0,0]=4 5062 B10R1.21 [13CH3]OCCCc1cccs1 7a_100011713143_200025704644 [0,1,0,0,1,0|2,0,0]=4 5063 B10R1.21 [13CH3]OCCCc1ccsc1 34a_200000699776_200025704644 [0,1,0,0,1,0|2,0,0]=4 5064 B10R1.21 [13CH3]OCCCc1ccsc1 7a_200000699776_200025704644 [0,1,0,0,1,0|2,0,0]=4 5065 B10R1.21 [13CH3]OCCCn1cccc1 34a_100000179399_200025704644 [0,1,0,0,1,0|2,0,0]=4 5066 B10R1.21 [13CH3]OCCCn1cccc1 7a_100000179399_200025704644 [0,1,0,0,1,0|2,0,0]=4 5067 B10R1.21 [13CH3]OCCCn1cccn1 34a_100000753614_200025704644 [0,1,0,0,1,0|2,0,0]=4 5068 B10R1.21 [13CH3]SCCCc1cccs1 62a_100010992444_200025704644 [0,1,0,0,1,0|2,0,0]=4 5069 B10R1.21 [13CH3]SCCCc1cccs1 62a_200025704644_100010992444 [0,1,0,0,1,0|2,0,0]=4 5070 B10R1.21 [13CH3]SCCCn1cccc1 62a_200009814367_200025704644 [0,1,0,0,1,0|2,0,0]=4 5071 B10R1.21 [13CH3]SCCCn1cccc1 62a_200025704644_200009814367 [0,1,0,0,1,0|2,0,0]=4 5072 B10R1.21 [13CH3]SCCCn1cccn1 62a_100000739983_200025704644 [0,1,0,0,1,0|2,0,0]=4 5073 B10R1.21 [13CH3]SCCCn1cccn1 62a_200025704644_100000739983 [0,1,0,0,1,0|2,0,0]=4 5074 B10R1.27 CC(Cc1ccco1)O[13CH3] 34a_100011803939_200025704644 [0,1,0,0,1,0|2,0,0]=4 5075 B10R1.27 CC(Cc1ccco1)O[13CH3] 7a_100011803939_200025704644 [0,1,0,0,1,0|2,0,0]=4 5076 B10R1.27 CC(Cc1cccs1)N[13CH3] 2230a_100000751415_200025704644 [0,1,0,0,1,0|1,0,0]=3 5077 B10R1.27 CC(Cc1ccsc1)N[13CH3] 2230a_100000743546_200025704644 [0,1,0,0,1,0|1,0,0]=3 5078 B10R1.27 CC(Cc1ccsc1)N[13CH3] 34a_100000743546_200025704644 [0,1,0,0,1,0|1,0,0]=3 5079 B10R1.27 CC(Cn1cccn1)N[13CH3] 2230a_100000738251_200025704644 [0,1,0,0,1,0|1,0,0]=3 5080 B10R1.27 CC(Cn1cncn1)N[13CH3] 2230a_100011201177_200025704644 [0,1,0,0,1,0|2,0,0]=4 5081 B10R1.27 CNC(=O)Cc1c[nH]cn1 240690a_100102657272_100015291406 [0,1,0,0,1,0|1,0,1]=4 5082 B10R1.27 CNC(=O)Cc1ccc[nH]1 11a_106832991635_100000238377 [0,1,0,0,1,0|0,0,2]=4 5083 B10R1.27 CNC(=O)Cc1ccc[nH]1 240690a_100102657272_100000238377 [0,1,0,0,1,0|0,0,2]=4 5084 B10R1.27 CNC(=O)Cc1ccc[nH]1 527a_100102657272_100000238377 [0,1,0,0,1,0|0,0,2]=4 5085 B10R1.27 CNC(=O)Cc1ccco1 11a_106832991635_100011217309 [0,1,0,0,1,0|1,0,1]=4 5086 B10R1.27 CNC(=O)Cc1ccco1 527a_100102657272_100011217309 [0,1,0,0,1,0|1,0,1]=4 5087 B10R1.27 CNC(=O)Cc1cccs1 11a_106832991635_100000210189 [0,1,0,0,1,0|1,0,1]=4 5088 B10R1.27 CNC(=O)Cc1cccs1 1626a_100102657272_100000210189 [0,1,0,0,1,0|1,0,1]=4 5089 B10R1.27 CNC(=O)Cc1cccs1 240690a_100102657272_100000210189 [0,1,0,0,1,0|1,0,1]=4 5090 B10R1.27 CNC(=O)Cc1ccoc1 11a_106832991635_100000684892 [0,1,0,0,1,0|1,0,1]=4 5091 B10R1.27 CNC(=O)Cc1ccoc1 1626a_100102657272_100000684892 [0,1,0,0,1,0|1,0,1]=4 5092 B10R1.27 CNC(=O)Cc1ccoc1 240690a_100102657272_100000684892 [0,1,0,0,1,0|1,0,1]=4 5093 B10R1.27 CNC(=O)Cc1ccoc1 527a_100102657272_100000684892 [0,1,0,0,1,0|1,0,1]=4 5094 B10R1.27 CNC(=O)Cc1ccsc1 11a_106832991635_100000184062 [0,1,0,0,1,0|1,0,1]=4 5095 B10R1.27 CNC(=O)Cc1ccsc1 1626a_100102657272_100000184062 [0,1,0,0,1,0|1,0,1]=4 5096 B10R1.27 CNC(=O)Cc1ccsc1 240690a_100102657272_100000184062 [0,1,0,0,1,0|1,0,1]=4 5097 B10R1.27 CNC(=O)Cc1ccsc1 527a_100102657272_100000184062 [0,1,0,0,1,0|1,0,1]=4 5098 B10R1.27 CNC(=O)Cc1cscn1 11a_106832991635_100011438297 [0,1,0,0,1,0|1,0,1]=4 5099 B10R1.27 CNC(=O)Cc1cscn1 1626a_100102657272_100011438297 [0,1,0,0,1,0|1,0,1]=4 5100 B10R1.27 CNC(=O)Cc1cscn1 240690a_100102657272_100011438297 [0,1,0,0,1,0|1,0,1]=4 5101 B10R1.27 CNC(=O)Cc1cscn1 527a_100102657272_100011438297 [0,1,0,0,1,0|1,0,1]=4 5102 B10R1.27 CNC(=O)Cn1cccc1 11a_106832991635_100011196272 [0,1,0,0,1,0|1,0,1]=4 5103 B10R1.27 CNC(=O)Cn1cccc1 1626a_100102657272_100011196272 [0,1,0,0,1,0|1,0,1]=4 5104 B10R1.27 CNC(=O)Cn1cccc1 527a_100102657272_100011196272 [0,1,0,0,1,0|1,0,1]=4 5105 B10R1.27 CNC(=O)Cn1cccn1 11a_106832991635_100000233772 [0,1,0,0,1,0|1,0,1]=4 5106 B10R1.27 CNC(=O)Cn1cccn1 1626a_100102657272_100000233772 [0,1,0,0,1,0|1,0,1]=4 5107 B10R1.27 CNC(=O)Cn1cccn1 240690a_100102657272_100000233772 [0,1,0,0,1,0|1,0,1]=4 5108 B10R1.27 CNC(=O)Cn1cccn1 527a_100102657272_100000233772 [0,1,0,0,1,0|1,0,1]=4 5109 B10R1.27 CNC(C)Cc1ccco1 270004a_106832991635_100011216958 [0,1,0,0,1,0|1,0,0]=3 5110 B10R1.27 CNC(C)Cc1cccs1 2230a_100000751415_200000210301 [0,1,0,0,1,0|1,0,0]=3 5111 B10R1.27 CNC(C)Cc1ccsc1 2230a_100000743546_200000210301 [0,1,0,0,1,0|1,0,0]=3 5112 B10R1.27 CNC(C)Cc1ccsc1 34a_100000743546_200000210301 [0,1,0,0,1,0|1,0,0]=3 5113 B10R1.27 CNC(C)Cn1cccn1 2230a_100000738251_200000210301 [0,1,0,0,1,0|1,0,0]=3 5114 B10R1.27 CNC(C)Cn1cncn1 2230a_100011201177_200000210301 [0,1,0,0,1,0|2,0,0]=4 5115 B10R1.27 CNC(C)Cn1cncn1 270004a_106832991635_100011342613 [0,1,0,0,1,0|2,0,0]=4 5116 B10R1.27 COC(C)Cc1ccco1 34a_100011803939_200000210301 [0,1,0,0,1,0|2,0,0]=4 5117 B10R1.27 COC(C)Cc1ccco1 7a_100011803939_200000210301 [0,1,0,0,1,0|2,0,0]=4 5118 B10R1.29 CCCCc1ccsc1C 271570a_100020621405_100000684487 [0,1,0,0,1,0|2,0,0]=4 5119 B10R1.29 CCCCc1ccsc1O 271570a_203496583355_100010071534 [0,1,0,0,1,0|2,0,0]=4 5120 B10R1.29 CCCCc1cscc1Br 271570a_100020621405_100010143727 [0,1,0,0,1,0|2,0,0]=4 5121 B10R1.29 CCCCc1cscc1C 271570a_100020621405_100000759966 [0,1,0,0,1,0|2,0,0]=4 5122 B10R1.29 CCCCc1n[nH]cc1Br 271570a_100020621405_100015839836 [0,1,0,0,1,0|2,0,0]=4 5123 B10R1.29 CCCCc1n[nH]cc1C 271570a_100020621405_100009871783 [0,1,0,0,1,0|2,0,0]=4 5124 B10R1.29 CCCCc1n[nH]cc1N 271570a_100020621405_100010894806 [0,1,0,0,1,0|2,0,0]=4 5125 B10R1.29 CCCCc1nc[nH]c1C 271570a_100020621405_100009816806 [0,1,0,0,1,0|2,0,0]=4 5126 B10R1.29 CCCCc1nccn1C 271570a_100020621405_100000707724 [0,1,0,0,1,0|2,0,0]=4 5127 B10R1.29 CCCCc1ncsc1C 271570a_100020621405_100000732656 [0,1,0,0,1,0|2,0,0]=4 5128 B10R1.29 CCCCc1sccc1Br 271570a_100020621405_100012361411 [0,1,0,0,1,0|2,0,0]=4 5129 B10R1.29 CCCCc1sccc1C 271570a_100020621405_100000742657 [0,1,0,0,1,0|2,0,0]=4 5130 B10R1.29 CCCCn1nccc1O 271570a_203496583355_200010264484 [0,1,0,0,1,0|2,0,0]=4 5131 B10R1.29 CNCCc1cccn1C 2230a_100011251756_200000210301 [0,1,0,0,1,0|0,0,1]=3 5132 B10R1.29 CNCCc1cccn1C 34a_100011251756_200000210301 [0,1,0,0,1,0|0,0,1]=3 5133 B10R1.29 CNCCc1scnc1C 2230a_100000238517_200000210301 [0,1,0,0,1,0|2,0,0]=4 5134 B10R1.29 CNCCc1scnc1C 2230a_106832991635_100000057103 [0,1,0,0,1,0|2,0,0]=4 5135 B10R1.29 CNCCc1scnc1C 34a_100000238517_200000210301 [0,1,0,0,1,0|2,0,0]=4 5136 B10R1.29 CNCCc1scnc1C 34a_100102657272_100000057103 [0,1,0,0,1,0|2,0,0]=4 5137 B10R1.29 CNCCc1scnc1C 7a_106832991635_100000057103 [0,1,0,0,1,0|2,0,0]=4 5138 B10R1.29 CNCCn1ccnc1C 2230a_106832991635_100000742477 [0,1,0,0,1,0|2,0,0]=4 5139 B10R1.29 CNCCn1ccnc1C 34a_100015184736_200000210301 [0,1,0,0,1,0|2,0,0]=4 5140 B10R1.29 CNCCn1ccnc1C 7a_106832991635_100000742477 [0,1,0,0,1,0|2,0,0]=4 5141 B10R1.29 CNCCn1nccc1C 2230a_106832991635_100011934269 [0,1,0,0,1,0|1,0,0]=3 5142 B10R1.29 CNCCn1nccc1C 7a_106832991635_100011934269 [0,1,0,0,1,0|1,0,0]=3 5143 B10R1.29 COCCn1nccc1N 34a_100000701086_200000210301 [0,1,0,0,1,0|2,0,0]=4 5144 B10R1.29 CSCCn1nccc1C 62a_100011934269_200000210301 [0,1,0,0,1,0|2,0,0]=4 5145 B10R1.29 CSCCn1nccc1C 62a_200000210301_100011934269 [0,1,0,0,1,0|2,0,0]=4 5146 B10R1.29 Cc1ccnn1CCS[13CH3] 62a_100011934269_200025704644 [0,1,0,0,1,0|2,0,0]=4 5147 B10R1.29 Cc1ccnn1CCS[13CH3] 62a_200025704644_100011934269 [0,1,0,0,1,0|2,0,0]=4 5148 B10R1.29 Cc1nccn1CCN[13CH3] 34a_100015184736_200025704644 [0,1,0,0,1,0|2,0,0]=4 5149 B10R1.29 Cc1ncsc1CCN[13CH3] 2230a_100000238517_200025704644 [0,1,0,0,1,0|2,0,0]=4 5150 B10R1.29 Cc1ncsc1CCN[13CH3] 34a_100000238517_200025704644 [0,1,0,0,1,0|2,0,0]=4 5151 B10R1.29 Cn1cccc1CCN[13CH3] 2230a_100011251756_200025704644 [0,1,0,0,1,0|0,0,1]=3 5152 B10R1.29 Cn1cccc1CCN[13CH3] 34a_100011251756_200025704644 [0,1,0,0,1,0|0,0,1]=3 5153 B10R1.29 [13CH3]OCCn1nccc1N 34a_100000701086_200025704644 [0,1,0,0,1,0|2,0,0]=4 5154 B10R1.66 CC(=O)CCc1c[nH]cn1 1458a_100000070787_100020628418 [0,1,0,0,1,0|2,0,0]=4 5155 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [0,1,0,0,1,0|2,0,0]=4 5156 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,1,0,0,1,0|1,0,1]=4 5157 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,1,0,0,1,0|2,0,0]=4 5158 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [0,1,0,0,1,0|2,0,0]=4 5159 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [0,1,0,0,1,0|2,0,0]=4 5160 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [0,1,0,0,1,0|2,0,0]=4 5161 B10R1.66 CC(=O)CCc1ncc[nH]1 1458a_100000722789_200000210301 [0,1,0,0,1,0|2,0,0]=4 5162 B10R1.66 CC(=O)CCc1nccs1 1458a_100000742873_200000210301 [0,1,0,0,1,0|2,0,0]=4 5163 B10R1.66 CC(=O)CCn1cccc1 1458a_100000070787_200000035178 [0,1,0,0,1,0|2,0,0]=4 5164 B10R1.66 CC(=O)CCn1cccc1 1458a_100011196273_200000210301 [0,1,0,0,1,0|2,0,0]=4 5165 B10R1.66 CC(=O)CCn1cccn1 1458a_100000070787_100000685285 [0,1,0,0,1,0|2,0,0]=4 5166 B10R1.66 CC(=O)CCn1cccn1 1458a_100000242649_200000210301 [0,1,0,0,1,0|2,0,0]=4 5167 B10R1.66 CN(C)CCc1c[nH]cn1 2230a_100102631434_100020628418 [0,1,0,0,1,0|1,0,0]=3 5168 B10R1.66 CN(C)CCc1c[nH]cn1 269982a_100102631434_100020628418 [0,1,0,0,1,0|1,0,0]=3 5169 B10R1.66 CN(C)CCc1cccs1 2230a_100102631434_100000748579 [0,1,0,0,1,0|1,0,0]=3 5170 B10R1.66 CN(C)CCc1cccs1 269982a_100102631434_100000748579 [0,1,0,0,1,0|1,0,0]=3 5171 B10R1.66 CN(C)CCc1cn[nH]c1 2230a_100102631434_100000743252 [0,1,0,0,1,0|2,0,0]=4 5172 B10R1.66 CN(C)CCc1cn[nH]c1 269982a_100102631434_100000743252 [0,1,0,0,1,0|2,0,0]=4 5173 B10R1.66 CN(C)CCn1cccc1 2230a_100102631434_200009811947 [0,1,0,0,1,0|1,0,0]=3 5174 B10R1.66 CN(C)CCn1cccc1 269982a_100102631434_200000035178 [0,1,0,0,1,0|1,0,0]=3 5175 B10R1.66 CN(C)CCn1cccn1 2230a_100102631434_100000685285 [0,1,0,0,1,0|1,0,0]=3 5176 B10R1.66 CN(C)CCn1cccn1 269982a_100102631434_100000685285 [0,1,0,0,1,0|1,0,0]=3 5177 B10R1.66 CN(C)CCn1ccnc1 269982a_100102631434_100000702546 [0,1,0,0,1,0|2,0,0]=4 5178 B10R1.66 CN(C)CCn1cncn1 2230a_100102631434_100000731791 [0,1,0,0,1,0|2,0,0]=4 5179 B10R1.66 CN(C)CCn1cncn1 269982a_100102631434_100000731791 [0,1,0,0,1,0|2,0,0]=4 5180 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [0,1,0,0,1,0|2,0,0]=4 5181 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,1,0,0,1,0|1,0,1]=4 5182 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,1,0,0,1,0|2,0,0]=4 5183 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [0,1,0,0,1,0|2,0,0]=4 5184 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [0,1,0,0,1,0|2,0,0]=4 5185 B10R1.66 [13CH3]C(=O)CCc1ncc[nH]1 1458a_100000722789_200025704644 [0,1,0,0,1,0|2,0,0]=4 5186 B10R1.66 [13CH3]C(=O)CCc1nccs1 1458a_100000742873_200025704644 [0,1,0,0,1,0|2,0,0]=4 5187 B10R1.66 [13CH3]C(=O)CCn1cccc1 1458a_100011196273_200025704644 [0,1,0,0,1,0|2,0,0]=4 5188 B10R1.66 [13CH3]C(=O)CCn1cccn1 1458a_100000242649_200025704644 [0,1,0,0,1,0|2,0,0]=4 5189 B12R1.1 BrCCOCc1ccc(cn1)Br 34a_100000211926_100000702658 [0,2,0,0,0,0|2,0,0]=4 5190 B12R1.1 C#CCCNc1ccc(cn1)Br 27a_100000755551_100000686858 [0,2,0,0,0,0|1,0,1]=4 5191 B12R1.1 C#CCCOc1ccc(cn1)C 34a_100000759353_100000688953 [0,2,0,0,0,0|1,0,1]=4 5192 B12R1.1 C#CCCOc1ccc(cn1)Cl 34a_100011215309_100000688953 [0,2,0,0,0,0|1,0,1]=4 5193 B12R1.1 C#CCCOc1ccc(cn1)F 34a_100000742473_100000688953 [0,2,0,0,0,0|1,0,1]=4 5194 B12R1.1 C#CCCOc1ccc(cn1)N 34a_100000729260_100000688953 [0,2,0,0,0,0|1,0,1]=4 5195 B12R1.1 C#CCCSc1ccc(cn1)Br 62a_100000686858_100000688953 [0,2,0,0,0,0|1,0,1]=4 5196 B12R1.1 C#CCCSc1ccc(cn1)Br 62a_100000688953_100000686858 [0,2,0,0,0,0|1,0,1]=4 5197 B12R1.1 C#CCCSc1ccc(cn1)C 62a_100000688953_100000754016 [0,2,0,0,0,0|1,0,1]=4 5198 B12R1.1 C#CCCSc1ccc(cn1)C 62a_100011192072_100000688953 [0,2,0,0,0,0|1,0,1]=4 5199 B12R1.1 C#CCCSc1ccc(cn1)Cl 62a_100000688953_100011356976 [0,2,0,0,0,0|1,0,1]=4 5200 B12R1.1 C#CCCSc1ccc(cn1)Cl 62a_100011356976_100000688953 [0,2,0,0,0,0|1,0,1]=4 5201 B12R1.1 C#CCCSc1ccc(cn1)F 62a_100000688953_100000744514 [0,2,0,0,0,0|1,0,1]=4 5202 B12R1.1 C#CCCSc1ccc(cn1)F 62a_100000744514_100000688953 [0,2,0,0,0,0|1,0,1]=4 5203 B12R1.1 C#CCCSc1ccc(cn1)N 62a_100000688953_100000737798 [0,2,0,0,0,0|1,0,1]=4 5204 B12R1.1 C#CCCSc1ccc(cn1)N 62a_100000737798_100000688953 [0,2,0,0,0,0|1,0,1]=4 5205 B12R1.1 C#CCCSc1ccc(cn1)O 62a_100000685995_100000688953 [0,2,0,0,0,0|1,0,1]=4 5206 B12R1.1 C#CCCSc1ccc(cn1)O 62a_100000688953_100000744096 [0,2,0,0,0,0|1,0,1]=4 5207 B12R1.1 C#CCNCc1ccc(cn1)Br 34a_100000212058_100000702658 [0,2,0,0,0,0|1,0,1]=4 5208 B12R1.1 C#CCNCc1ccc(cn1)Br 34a_100015188789_100000184674 [0,2,0,0,0,0|1,0,1]=4 5209 B12R1.1 C#CCNCc1ccc(cn1)C 34a_100000212058_100000691093 [0,2,0,0,0,0|1,0,1]=4 5210 B12R1.1 C#CCNCc1ccc(cn1)C 34a_100015187455_100000184674 [0,2,0,0,0,0|1,0,1]=4 5211 B12R1.1 C#CCNCc1ccc(cn1)Cl 34a_100000212058_100012066911 [0,2,0,0,0,0|1,0,1]=4 5212 B12R1.1 C#CCNCc1ccc(cn1)Cl 34a_100000697193_100000184674 [0,2,0,0,0,0|1,0,1]=4 5213 B12R1.1 C#CCNCc1ccc(cn1)F 34a_100000212058_100000703193 [0,2,0,0,0,0|1,0,1]=4 5214 B12R1.1 C#CCNCc1ccc(cn1)F 34a_100020620131_100000184674 [0,2,0,0,0,0|1,0,1]=4 5215 B12R1.1 C#CCOCc1ccc(cn1)Br 34a_100000210247_100000702658 [0,2,0,0,0,0|1,0,1]=4 5216 B12R1.1 C#CCOCc1ccc(cn1)Br 34a_100000754261_100000184674 [0,2,0,0,0,0|1,0,1]=4 5217 B12R1.1 C#CCOCc1ccc(cn1)C 34a_100000210247_100000691093 [0,2,0,0,0,0|1,0,1]=4 5218 B12R1.1 C#CCOCc1ccc(cn1)C 34a_100012001401_100000184674 [0,2,0,0,0,0|1,0,1]=4 5219 B12R1.1 C#CCOCc1ccc(cn1)Cl 34a_100000210247_100012066911 [0,2,0,0,0,0|1,0,1]=4 5220 B12R1.1 C#CCOCc1ccc(cn1)Cl 34a_100000703999_100000184674 [0,2,0,0,0,0|1,0,1]=4 5221 B12R1.1 C#CCOCc1ccc(cn1)F 34a_100000210247_100000703193 [0,2,0,0,0,0|1,0,1]=4 5222 B12R1.1 C#CCOCc1ccc(cn1)F 34a_100011999454_100000184674 [0,2,0,0,0,0|1,0,1]=4 5223 B12R1.1 C#CCOCc1ccc(cn1)N 34a_100011998161_100000184674 [0,2,0,0,0,0|1,0,1]=4 5224 B12R1.1 C#CCSCc1ccc(cn1)Br 62a_100000038162_100000702658 [0,2,0,0,0,0|1,0,1]=4 5225 B12R1.1 C#CCSCc1ccc(cn1)C 62a_100000038162_100000691093 [0,2,0,0,0,0|1,0,1]=4 5226 B12R1.1 C#CCSCc1ccc(cn1)Cl 62a_100000038162_100000697101 [0,2,0,0,0,0|1,0,1]=4 5227 B12R1.1 C#CCSCc1ccc(cn1)F 62a_100000038162_100000703193 [0,2,0,0,0,0|1,0,1]=4 5228 B12R1.1 C/C=C/COc1ccc(cn1)C 34a_100000759353_100102629194 [0,2,0,0,0,0|1,0,1]=4 5229 B12R1.1 C/C=C/COc1ccc(cn1)Cl 34a_100011215309_100102629194 [0,2,0,0,0,0|1,0,1]=4 5230 B12R1.1 C/C=C/COc1ccc(cn1)F 34a_100000742473_100102629194 [0,2,0,0,0,0|1,0,1]=4 5231 B12R1.1 C/C=C/COc1ccc(cn1)N 34a_100000729260_100102629194 [0,2,0,0,0,0|1,0,1]=4 5232 B12R1.1 C/C=C/CSc1ccc(cn1)Br 62a_100000686858_100102629194 [0,2,0,0,0,0|1,0,1]=4 5233 B12R1.1 C/C=C/CSc1ccc(cn1)Br 62a_100102629194_100000686858 [0,2,0,0,0,0|1,0,1]=4 5234 B12R1.1 C/C=C/CSc1ccc(cn1)C 62a_100011192072_100102629194 [0,2,0,0,0,0|1,0,1]=4 5235 B12R1.1 C/C=C/CSc1ccc(cn1)C 62a_100102629194_100000754016 [0,2,0,0,0,0|1,0,1]=4 5236 B12R1.1 C/C=C/CSc1ccc(cn1)Cl 62a_100011356976_100102629194 [0,2,0,0,0,0|1,0,1]=4 5237 B12R1.1 C/C=C/CSc1ccc(cn1)Cl 62a_100102629194_100011356976 [0,2,0,0,0,0|1,0,1]=4 5238 B12R1.1 C/C=C/CSc1ccc(cn1)F 62a_100000744514_100102629194 [0,2,0,0,0,0|1,0,1]=4 5239 B12R1.1 C/C=C/CSc1ccc(cn1)F 62a_100102629194_100000744514 [0,2,0,0,0,0|1,0,1]=4 5240 B12R1.1 C/C=C/CSc1ccc(cn1)N 62a_100000737798_100102629194 [0,2,0,0,0,0|1,0,1]=4 5241 B12R1.1 C/C=C/CSc1ccc(cn1)N 62a_100102629194_100000737798 [0,2,0,0,0,0|1,0,1]=4 5242 B12R1.1 C/C=C/CSc1ccc(cn1)O 62a_100000685995_100102629194 [0,2,0,0,0,0|1,0,1]=4 5243 B12R1.1 C/C=C/CSc1ccc(cn1)O 62a_100102629194_100000744096 [0,2,0,0,0,0|1,0,1]=4 5244 B12R1.1 C=CCCNc1ccc(cn1)Br 27a_100015191253_100000686858 [0,2,0,0,0,0|1,0,1]=4 5245 B12R1.1 C=CCCOc1ccc(cn1)C 34a_100000759353_100000754431 [0,2,0,0,0,0|1,0,1]=4 5246 B12R1.1 C=CCCOc1ccc(cn1)Cl 34a_100011215309_100000754431 [0,2,0,0,0,0|1,0,1]=4 5247 B12R1.1 C=CCCOc1ccc(cn1)F 34a_100000742473_100000754431 [0,2,0,0,0,0|1,0,1]=4 5248 B12R1.1 C=CCCOc1ccc(cn1)N 34a_100000729260_100000754431 [0,2,0,0,0,0|1,0,1]=4 5249 B12R1.1 C=CCCSc1ccc(cn1)Br 62a_100000686858_100000754431 [0,2,0,0,0,0|1,0,1]=4 5250 B12R1.1 C=CCCSc1ccc(cn1)Br 62a_100000754431_100000686858 [0,2,0,0,0,0|1,0,1]=4 5251 B12R1.1 C=CCCSc1ccc(cn1)C 62a_100000754431_100000754016 [0,2,0,0,0,0|1,0,1]=4 5252 B12R1.1 C=CCCSc1ccc(cn1)C 62a_100011192072_100000754431 [0,2,0,0,0,0|1,0,1]=4 5253 B12R1.1 C=CCCSc1ccc(cn1)Cl 62a_100000754431_100011356976 [0,2,0,0,0,0|1,0,1]=4 5254 B12R1.1 C=CCCSc1ccc(cn1)Cl 62a_100011356976_100000754431 [0,2,0,0,0,0|1,0,1]=4 5255 B12R1.1 C=CCCSc1ccc(cn1)F 62a_100000744514_100000754431 [0,2,0,0,0,0|1,0,1]=4 5256 B12R1.1 C=CCCSc1ccc(cn1)F 62a_100000754431_100000744514 [0,2,0,0,0,0|1,0,1]=4 5257 B12R1.1 C=CCCSc1ccc(cn1)N 62a_100000737798_100000754431 [0,2,0,0,0,0|1,0,1]=4 5258 B12R1.1 C=CCCSc1ccc(cn1)N 62a_100000754431_100000737798 [0,2,0,0,0,0|1,0,1]=4 5259 B12R1.1 C=CCCSc1ccc(cn1)O 62a_100000685995_100000754431 [0,2,0,0,0,0|1,0,1]=4 5260 B12R1.1 C=CCCSc1ccc(cn1)O 62a_100000754431_100000744096 [0,2,0,0,0,0|1,0,1]=4 5261 B12R1.1 C=CCNCc1ccc(cn1)Br 2230a_100020586998_100000702658 [0,2,0,0,0,0|1,0,1]=4 5262 B12R1.1 C=CCNCc1ccc(cn1)Br 270004a_100020586998_100000754260 [0,2,0,0,0,0|1,0,1]=4 5263 B12R1.1 C=CCNCc1ccc(cn1)Br 34a_100015188789_100015514636 [0,2,0,0,0,0|1,0,1]=4 5264 B12R1.1 C=CCNCc1ccc(cn1)C 2230a_100020586998_100000691093 [0,2,0,0,0,0|1,0,1]=4 5265 B12R1.1 C=CCNCc1ccc(cn1)C 270004a_100020586998_100000050478 [0,2,0,0,0,0|1,0,1]=4 5266 B12R1.1 C=CCNCc1ccc(cn1)C 34a_100015187455_100015514636 [0,2,0,0,0,0|1,0,1]=4 5267 B12R1.1 C=CCNCc1ccc(cn1)Cl 2230a_100020586998_100012066911 [0,2,0,0,0,0|1,0,1]=4 5268 B12R1.1 C=CCNCc1ccc(cn1)Cl 270004a_100020586998_100011361569 [0,2,0,0,0,0|1,0,1]=4 5269 B12R1.1 C=CCNCc1ccc(cn1)Cl 34a_100000697193_100015514636 [0,2,0,0,0,0|1,0,1]=4 5270 B12R1.1 C=CCNCc1ccc(cn1)F 2230a_100020586998_100000703193 [0,2,0,0,0,0|1,0,1]=4 5271 B12R1.1 C=CCNCc1ccc(cn1)F 270004a_100020586998_100011934744 [0,2,0,0,0,0|1,0,1]=4 5272 B12R1.1 C=CCNCc1ccc(cn1)F 34a_100020620131_100015514636 [0,2,0,0,0,0|1,0,1]=4 5273 B12R1.1 C=CCOCc1ccc(cn1)Br 34a_100000754261_100015514636 [0,2,0,0,0,0|1,0,1]=4 5274 B12R1.1 C=CCOCc1ccc(cn1)Br 34a_200000210373_100000702658 [0,2,0,0,0,0|1,0,1]=4 5275 B12R1.1 C=CCOCc1ccc(cn1)C 34a_100012001401_100015514636 [0,2,0,0,0,0|1,0,1]=4 5276 B12R1.1 C=CCOCc1ccc(cn1)C 34a_200000210373_100000691093 [0,2,0,0,0,0|1,0,1]=4 5277 B12R1.1 C=CCOCc1ccc(cn1)Cl 34a_100000703999_100015514636 [0,2,0,0,0,0|1,0,1]=4 5278 B12R1.1 C=CCOCc1ccc(cn1)Cl 34a_200000210373_100012066911 [0,2,0,0,0,0|1,0,1]=4 5279 B12R1.1 C=CCOCc1ccc(cn1)F 34a_100011999454_100015514636 [0,2,0,0,0,0|1,0,1]=4 5280 B12R1.1 C=CCOCc1ccc(cn1)F 34a_200000210373_100000703193 [0,2,0,0,0,0|1,0,1]=4 5281 B12R1.1 C=CCOCc1ccc(cn1)N 34a_100011998161_100015514636 [0,2,0,0,0,0|1,0,1]=4 5282 B12R1.1 C=CCSCc1ccc(cn1)Br 62a_100000210623_100000702658 [0,2,0,0,0,0|1,0,1]=4 5283 B12R1.1 C=CCSCc1ccc(cn1)Br 62a_100000702658_100000210623 [0,2,0,0,0,0|1,0,1]=4 5284 B12R1.1 C=CCSCc1ccc(cn1)C 62a_100000210623_100000691093 [0,2,0,0,0,0|1,0,1]=4 5285 B12R1.1 C=CCSCc1ccc(cn1)C 62a_100000691093_100000210623 [0,2,0,0,0,0|1,0,1]=4 5286 B12R1.1 C=CCSCc1ccc(cn1)Cl 62a_100000210623_100000697101 [0,2,0,0,0,0|1,0,1]=4 5287 B12R1.1 C=CCSCc1ccc(cn1)Cl 62a_100012066911_100000210623 [0,2,0,0,0,0|1,0,1]=4 5288 B12R1.1 C=CCSCc1ccc(cn1)F 62a_100000210623_100000703193 [0,2,0,0,0,0|1,0,1]=4 5289 B12R1.1 C=CCSCc1ccc(cn1)F 62a_100000703193_100000210623 [0,2,0,0,0,0|1,0,1]=4 5290 B12R1.1 CC#CCNc1ccc(cn1)Br 27a_100000685387_100000686858 [0,2,0,0,0,0|1,0,1]=4 5291 B12R1.1 CC#CCOc1ccc(cn1)C 34a_100000759353_100000748600 [0,2,0,0,0,0|1,0,1]=4 5292 B12R1.1 CC#CCOc1ccc(cn1)Cl 34a_100011215309_100000748600 [0,2,0,0,0,0|1,0,1]=4 5293 B12R1.1 CC#CCOc1ccc(cn1)F 34a_100000742473_100000748600 [0,2,0,0,0,0|1,0,1]=4 5294 B12R1.1 CC#CCOc1ccc(cn1)N 34a_100000729260_100000748600 [0,2,0,0,0,0|1,0,1]=4 5295 B12R1.1 CC#CCSc1ccc(cn1)Br 62a_100000686858_100000748600 [0,2,0,0,0,0|1,0,1]=4 5296 B12R1.1 CC#CCSc1ccc(cn1)Br 62a_100000748600_100000686858 [0,2,0,0,0,0|1,0,1]=4 5297 B12R1.1 CC#CCSc1ccc(cn1)C 62a_100000748600_100000754016 [0,2,0,0,0,0|1,0,1]=4 5298 B12R1.1 CC#CCSc1ccc(cn1)C 62a_100011192072_100000748600 [0,2,0,0,0,0|1,0,1]=4 5299 B12R1.1 CC#CCSc1ccc(cn1)Cl 62a_100000748600_100011356976 [0,2,0,0,0,0|1,0,1]=4 5300 B12R1.1 CC#CCSc1ccc(cn1)Cl 62a_100011356976_100000748600 [0,2,0,0,0,0|1,0,1]=4 5301 B12R1.1 CC#CCSc1ccc(cn1)F 62a_100000744514_100000748600 [0,2,0,0,0,0|1,0,1]=4 5302 B12R1.1 CC#CCSc1ccc(cn1)F 62a_100000748600_100000744514 [0,2,0,0,0,0|1,0,1]=4 5303 B12R1.1 CC#CCSc1ccc(cn1)N 62a_100000737798_100000748600 [0,2,0,0,0,0|1,0,1]=4 5304 B12R1.1 CC#CCSc1ccc(cn1)N 62a_100000748600_100000737798 [0,2,0,0,0,0|1,0,1]=4 5305 B12R1.1 CC#CCSc1ccc(cn1)O 62a_100000685995_100000748600 [0,2,0,0,0,0|1,0,1]=4 5306 B12R1.1 CC#CCSc1ccc(cn1)O 62a_100000748600_100000744096 [0,2,0,0,0,0|1,0,1]=4 5307 B12R1.1 CC=CCOc1ccc(cn1)C 34a_100000759353_100000070051 [0,2,0,0,0,0|1,0,1]=4 5308 B12R1.1 CC=CCOc1ccc(cn1)Cl 34a_100011215309_100000070051 [0,2,0,0,0,0|1,0,1]=4 5309 B12R1.1 CC=CCOc1ccc(cn1)F 34a_100000742473_100000070051 [0,2,0,0,0,0|1,0,1]=4 5310 B12R1.1 CC=CCOc1ccc(cn1)N 34a_100000729260_100000070051 [0,2,0,0,0,0|1,0,1]=4 5311 B12R1.1 CC=CCSc1ccc(cn1)Br 62a_100000070051_100000686858 [0,2,0,0,0,0|1,0,1]=4 5312 B12R1.1 CC=CCSc1ccc(cn1)Br 62a_100000686858_100000070051 [0,2,0,0,0,0|1,0,1]=4 5313 B12R1.1 CC=CCSc1ccc(cn1)C 62a_100000070051_100000754016 [0,2,0,0,0,0|1,0,1]=4 5314 B12R1.1 CC=CCSc1ccc(cn1)C 62a_100011192072_100000070051 [0,2,0,0,0,0|1,0,1]=4 5315 B12R1.1 CC=CCSc1ccc(cn1)Cl 62a_100000070051_100011356976 [0,2,0,0,0,0|1,0,1]=4 5316 B12R1.1 CC=CCSc1ccc(cn1)Cl 62a_100011356976_100000070051 [0,2,0,0,0,0|1,0,1]=4 5317 B12R1.1 CC=CCSc1ccc(cn1)F 62a_100000070051_100000744514 [0,2,0,0,0,0|1,0,1]=4 5318 B12R1.1 CC=CCSc1ccc(cn1)F 62a_100000744514_100000070051 [0,2,0,0,0,0|1,0,1]=4 5319 B12R1.1 CC=CCSc1ccc(cn1)N 62a_100000070051_100000737798 [0,2,0,0,0,0|1,0,1]=4 5320 B12R1.1 CC=CCSc1ccc(cn1)N 62a_100000737798_100000070051 [0,2,0,0,0,0|1,0,1]=4 5321 B12R1.1 CC=CCSc1ccc(cn1)O 62a_100000070051_100000744096 [0,2,0,0,0,0|1,0,1]=4 5322 B12R1.1 CC=CCSc1ccc(cn1)O 62a_100000685995_100000070051 [0,2,0,0,0,0|1,0,1]=4 5323 B12R1.1 CCCC=Cc1ccc(cn1)Br 271570a_100016258520_100000686858 [0,2,0,0,0,0|1,0,1]=4 5324 B12R1.1 CCCC=Cc1ccc(cn1)C 271570a_100016258520_100000754016 [0,2,0,0,0,0|1,0,1]=4 5325 B12R1.1 CCCC=Cc1ccc(cn1)Cl 271570a_100016258520_100011356976 [0,2,0,0,0,0|1,0,1]=4 5326 B12R1.1 CCCC=Cc1ccc(cn1)F 271570a_100016258520_100000744514 [0,2,0,0,0,0|1,0,1]=4 5327 B12R1.1 CCCC=Cc1ccc(cn1)N 271570a_100016258520_100000744251 [0,2,0,0,0,0|1,0,1]=4 5328 B12R1.1 CCCC=Cc1ccc(cn1)O 271570a_100016258520_100000685995 [0,2,0,0,0,0|1,0,1]=4 5329 B12R1.1 CCCCCc1ccc(cc1)O 271570a_203496583355_100009813665 [0,2,0,0,0,0|2,0,0]=4 5330 B12R1.1 CCCCNc1ccc(cc1)Br 2230a_100000210018_100000210211 [0,2,0,0,0,0|2,0,0]=4 5331 B12R1.1 CCCCNc1ccc(cc1)Br 34a_100000210018_100000210210 [0,2,0,0,0,0|2,0,0]=4 5332 B12R1.1 CCCCNc1ccc(cc1)C 34a_100000124888_100000210210 [0,2,0,0,0,0|2,0,0]=4 5333 B12R1.1 CCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210211 [0,2,0,0,0,0|2,0,0]=4 5334 B12R1.1 CCCCNc1ccc(cc1)Cl 34a_100000210052_100000210210 [0,2,0,0,0,0|2,0,0]=4 5335 B12R1.1 CCCCNc1ccc(cc1)F 34a_100000185862_100000210210 [0,2,0,0,0,0|2,0,0]=4 5336 B12R1.1 CCCCNc1ccc(cc1)I 34a_100000185761_100000210210 [0,2,0,0,0,0|2,0,0]=4 5337 B12R1.1 CCCCNc1ccc(cc1)O 34a_100000185829_100000210210 [0,2,0,0,0,0|2,0,0]=4 5338 B12R1.1 CCCCNc1ccc(cn1)Br 27a_100000102301_100000686858 [0,2,0,0,0,0|1,0,0]=3 5339 B12R1.1 CCCCNc1ccc(cn1)O 271570a_203496583355_200011243049 [0,2,0,0,0,0|1,0,0]=3 5340 B12R1.1 CCCCNc1ccc(nn1)C 27a_100000102301_100000744512 [0,2,0,0,0,0|2,0,0]=4 5341 B12R1.1 CCCCNc1ccc(nn1)O 271570a_203496583355_100000215281 [0,2,0,0,0,0|2,0,0]=4 5342 B12R1.1 CCCCNc1cnc(cn1)Br 27a_100000102301_100010187541 [0,2,0,0,0,0|2,0,0]=4 5343 B12R1.1 CCCCNc1cnc(cn1)C 27a_100000102301_100000074397 [0,2,0,0,0,0|2,0,0]=4 5344 B12R1.1 CCCCNc1cnc(cn1)F 27a_100000102301_100009856528 [0,2,0,0,0,0|2,0,0]=4 5345 B12R1.1 CCCCNc1ncc(cn1)Br 27a_100000102301_100000690281 [0,2,0,0,0,0|2,0,0]=4 5346 B12R1.1 CCCCNc1ncc(cn1)C 27a_100000102301_100000061069 [0,2,0,0,0,0|2,0,0]=4 5347 B12R1.1 CCCCNc1ncc(cn1)Cl 27a_100000102301_100011356929 [0,2,0,0,0,0|2,0,0]=4 5348 B12R1.1 CCCCNc1ncc(cn1)F 27a_100000102301_100000685220 [0,2,0,0,0,0|2,0,0]=4 5349 B12R1.1 CCCCNc1ncc(cn1)O 271570a_203496583355_200011938772 [0,2,0,0,0,0|2,0,0]=4 5350 B12R1.1 CCCCOc1ccc(cc1)Br 34a_100000185759_100000210210 [0,2,0,0,0,0|2,0,0]=4 5351 B12R1.1 CCCCOc1ccc(cc1)Br 7a_100000185759_100000210211 [0,2,0,0,0,0|2,0,0]=4 5352 B12R1.1 CCCCOc1ccc(cc1)C 34a_100000210336_100000210210 [0,2,0,0,0,0|2,0,0]=4 5353 B12R1.1 CCCCOc1ccc(cc1)C 7a_100000210336_100000210211 [0,2,0,0,0,0|2,0,0]=4 5354 B12R1.1 CCCCOc1ccc(cc1)Cl 34a_100000210216_100000210210 [0,2,0,0,0,0|2,0,0]=4 5355 B12R1.1 CCCCOc1ccc(cc1)Cl 7a_100000210216_100000210211 [0,2,0,0,0,0|2,0,0]=4 5356 B12R1.1 CCCCOc1ccc(cc1)F 34a_100000210339_100000210210 [0,2,0,0,0,0|2,0,0]=4 5357 B12R1.1 CCCCOc1ccc(cc1)I 34a_100000212066_100000210210 [0,2,0,0,0,0|2,0,0]=4 5358 B12R1.1 CCCCOc1ccc(cc1)I 7a_100000212066_100000210211 [0,2,0,0,0,0|2,0,0]=4 5359 B12R1.1 CCCCOc1ccc(cc1)N 34a_100000185829_100000210210 [0,2,0,0,0,0|2,0,0]=4 5360 B12R1.1 CCCCOc1ccc(cc1)O 271570a_203496583355_100000230682 [0,2,0,0,0,0|2,0,0]=4 5361 B12R1.1 CCCCOc1ccc(cn1)C 34a_100000759353_100000210210 [0,2,0,0,0,0|1,0,0]=3 5362 B12R1.1 CCCCOc1ccc(cn1)Cl 34a_100011215309_100000210210 [0,2,0,0,0,0|1,0,0]=3 5363 B12R1.1 CCCCOc1ccc(cn1)F 34a_100000742473_100000210210 [0,2,0,0,0,0|1,0,0]=3 5364 B12R1.1 CCCCOc1ccc(cn1)N 34a_100000729260_100000210210 [0,2,0,0,0,0|1,0,0]=3 5365 B12R1.1 CCCCOc1cnc(cn1)Br 34a_100011934580_100000210210 [0,2,0,0,0,0|2,0,0]=4 5366 B12R1.1 CCCCOc1cnc(cn1)Cl 34a_100015839800_100000210210 [0,2,0,0,0,0|2,0,0]=4 5367 B12R1.1 CCCCOc1ncc(cn1)F 34a_100011934040_100000210210 [0,2,0,0,0,0|2,0,0]=4 5368 B12R1.1 CCCCSc1ccc(=O)[nH]n1 62a_100000210211_100009820020 [0,2,0,0,0,0|2,0,0]=4 5369 B12R1.1 CCCCSc1ccc(=O)[nH]n1 62a_100009820020_100000210210 [0,2,0,0,0,0|2,0,0]=4 5370 B12R1.1 CCCCSc1ccc(cc1)Br 62a_100000210211_100000752885 [0,2,0,0,0,0|2,0,0]=4 5371 B12R1.1 CCCCSc1ccc(cc1)Br 62a_100000752885_100000210210 [0,2,0,0,0,0|2,0,0]=4 5372 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000186775_100000210210 [0,2,0,0,0,0|2,0,0]=4 5373 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000210211_100000186775 [0,2,0,0,0,0|2,0,0]=4 5374 B12R1.1 CCCCSc1ccc(cc1)Cl 62a_100000210211_100000755918 [0,2,0,0,0,0|2,0,0]=4 5375 B12R1.1 CCCCSc1ccc(cc1)Cl 62a_100000755918_100000210210 [0,2,0,0,0,0|2,0,0]=4 5376 B12R1.1 CCCCSc1ccc(cc1)F 62a_100000210211_100000211213 [0,2,0,0,0,0|2,0,0]=4 5377 B12R1.1 CCCCSc1ccc(cc1)F 62a_100000211213_100000210210 [0,2,0,0,0,0|2,0,0]=4 5378 B12R1.1 CCCCSc1ccc(cc1)N 62a_100000185761_100000210210 [0,2,0,0,0,0|2,0,0]=4 5379 B12R1.1 CCCCSc1ccc(cc1)N 62a_100000210211_100000185761 [0,2,0,0,0,0|2,0,0]=4 5380 B12R1.1 CCCCSc1ccc(cc1)O 62a_100000210211_100000185759 [0,2,0,0,0,0|2,0,0]=4 5381 B12R1.1 CCCCSc1ccc(cn1)Br 62a_100000210211_100000686858 [0,2,0,0,0,0|1,0,0]=3 5382 B12R1.1 CCCCSc1ccc(cn1)Br 62a_100000686858_100000210210 [0,2,0,0,0,0|1,0,0]=3 5383 B12R1.1 CCCCSc1ccc(cn1)C 62a_100000210211_100000754016 [0,2,0,0,0,0|1,0,0]=3 5384 B12R1.1 CCCCSc1ccc(cn1)C 62a_100011192072_100000210210 [0,2,0,0,0,0|1,0,0]=3 5385 B12R1.1 CCCCSc1ccc(cn1)Cl 62a_100000210211_100011356976 [0,2,0,0,0,0|1,0,0]=3 5386 B12R1.1 CCCCSc1ccc(cn1)Cl 62a_100011356976_100000210210 [0,2,0,0,0,0|1,0,0]=3 5387 B12R1.1 CCCCSc1ccc(cn1)F 62a_100000210211_100000744514 [0,2,0,0,0,0|1,0,0]=3 5388 B12R1.1 CCCCSc1ccc(cn1)F 62a_100000744514_100000210210 [0,2,0,0,0,0|1,0,0]=3 5389 B12R1.1 CCCCSc1ccc(cn1)N 62a_100000210211_100000737798 [0,2,0,0,0,0|1,0,0]=3 5390 B12R1.1 CCCCSc1ccc(cn1)N 62a_100000737798_100000210210 [0,2,0,0,0,0|1,0,0]=3 5391 B12R1.1 CCCCSc1ccc(cn1)O 62a_100000210211_100000744096 [0,2,0,0,0,0|1,0,0]=3 5392 B12R1.1 CCCCSc1ccc(cn1)O 62a_100000685995_100000210210 [0,2,0,0,0,0|1,0,0]=3 5393 B12R1.1 CCCCSc1ccc(nn1)C 62a_100000210211_100000744512 [0,2,0,0,0,0|2,0,0]=4 5394 B12R1.1 CCCCSc1ccc(nn1)C 62a_100000744512_100000210210 [0,2,0,0,0,0|2,0,0]=4 5395 B12R1.1 CCCCSc1ccc(nn1)Cl 62a_100000068654_100000210210 [0,2,0,0,0,0|2,0,0]=4 5396 B12R1.1 CCCCSc1ccc(nn1)Cl 62a_100000210211_100000068654 [0,2,0,0,0,0|2,0,0]=4 5397 B12R1.1 CCCCSc1ccc(nn1)N 62a_100000210211_100010219413 [0,2,0,0,0,0|2,0,0]=4 5398 B12R1.1 CCCCSc1ccc(nn1)N 62a_100010219413_100000210210 [0,2,0,0,0,0|2,0,0]=4 5399 B12R1.1 CCCCSc1cnc(cn1)Br 62a_100000210211_100010187541 [0,2,0,0,0,0|2,0,0]=4 5400 B12R1.1 CCCCSc1cnc(cn1)Br 62a_100010187541_100000210210 [0,2,0,0,0,0|2,0,0]=4 5401 B12R1.1 CCCCSc1cnc(cn1)C 62a_100000210211_100011999403 [0,2,0,0,0,0|2,0,0]=4 5402 B12R1.1 CCCCSc1cnc(cn1)C 62a_100011999403_100000210210 [0,2,0,0,0,0|2,0,0]=4 5403 B12R1.1 CCCCSc1cnc(cn1)Cl 62a_100000210211_100010214907 [0,2,0,0,0,0|2,0,0]=4 5404 B12R1.1 CCCCSc1cnc(cn1)Cl 62a_100010214907_100000210210 [0,2,0,0,0,0|2,0,0]=4 5405 B12R1.1 CCCCSc1cnc(cn1)F 62a_100000210211_100009856528 [0,2,0,0,0,0|2,0,0]=4 5406 B12R1.1 CCCCSc1cnc(cn1)F 62a_100009856528_100000210210 [0,2,0,0,0,0|2,0,0]=4 5407 B12R1.1 CCCCSc1cnc(cn1)N 62a_100000210211_100000744751 [0,2,0,0,0,0|2,0,0]=4 5408 B12R1.1 CCCCSc1cnc(cn1)N 62a_100000744751_100000210210 [0,2,0,0,0,0|2,0,0]=4 5409 B12R1.1 CCCCSc1cnc(cn1)O 62a_100000210211_100015839800 [0,2,0,0,0,0|2,0,0]=4 5410 B12R1.1 CCCCSc1cnc(cn1)O 62a_100011934580_100000210210 [0,2,0,0,0,0|2,0,0]=4 5411 B12R1.1 CCCCSc1ncc(cn1)Br 62a_100000210211_100000690281 [0,2,0,0,0,0|2,0,0]=4 5412 B12R1.1 CCCCSc1ncc(cn1)Br 62a_100000690281_100000210210 [0,2,0,0,0,0|2,0,0]=4 5413 B12R1.1 CCCCSc1ncc(cn1)C 62a_100000061069_100000210210 [0,2,0,0,0,0|2,0,0]=4 5414 B12R1.1 CCCCSc1ncc(cn1)C 62a_100000210211_100000061069 [0,2,0,0,0,0|2,0,0]=4 5415 B12R1.1 CCCCSc1ncc(cn1)Cl 62a_100000210211_100011356929 [0,2,0,0,0,0|2,0,0]=4 5416 B12R1.1 CCCCSc1ncc(cn1)Cl 62a_100011356929_100000210210 [0,2,0,0,0,0|2,0,0]=4 5417 B12R1.1 CCCCSc1ncc(cn1)F 62a_100000210211_100000685220 [0,2,0,0,0,0|2,0,0]=4 5418 B12R1.1 CCCCSc1ncc(cn1)F 62a_100000685220_100000210210 [0,2,0,0,0,0|2,0,0]=4 5419 B12R1.1 CCCCSc1ncc(cn1)N 62a_100000068403_100000210210 [0,2,0,0,0,0|2,0,0]=4 5420 B12R1.1 CCCCSc1ncc(cn1)N 62a_100000210211_100000068403 [0,2,0,0,0,0|2,0,0]=4 5421 B12R1.1 CCCCSc1ncc(cn1)O 62a_100000210211_100000092845 [0,2,0,0,0,0|2,0,0]=4 5422 B12R1.1 CCCCSc1ncc(cn1)O 62a_100000730009_100000210210 [0,2,0,0,0,0|2,0,0]=4 5423 B12R1.1 CCCNCc1ccc(=O)[nH]n1 207a_100020643023_100011361533 [0,2,0,0,0,0|2,0,0]=4 5424 B12R1.1 CCCNCc1ccc(=O)[nH]n1 270004a_100020643023_100011361533 [0,2,0,0,0,0|2,0,0]=4 5425 B12R1.1 CCCNCc1ccc(cc1)Br 207a_100020643023_100000186029 [0,2,0,0,0,0|2,0,0]=4 5426 B12R1.1 CCCNCc1ccc(cc1)Br 2230a_100000174875_100000210303 [0,2,0,0,0,0|2,0,0]=4 5427 B12R1.1 CCCNCc1ccc(cc1)Br 270004a_100020643023_100000186029 [0,2,0,0,0,0|2,0,0]=4 5428 B12R1.1 CCCNCc1ccc(cc1)Br 34a_100000174875_100000210303 [0,2,0,0,0,0|2,0,0]=4 5429 B12R1.1 CCCNCc1ccc(cc1)C 207a_100020643023_100000211033 [0,2,0,0,0,0|2,0,0]=4 5430 B12R1.1 CCCNCc1ccc(cc1)C 2230a_100000174908_100000210303 [0,2,0,0,0,0|2,0,0]=4 5431 B12R1.1 CCCNCc1ccc(cc1)C 270004a_100020643023_100000211033 [0,2,0,0,0,0|2,0,0]=4 5432 B12R1.1 CCCNCc1ccc(cc1)C 34a_100000174908_100000210303 [0,2,0,0,0,0|2,0,0]=4 5433 B12R1.1 CCCNCc1ccc(cc1)Cl 207a_100020643023_100000189385 [0,2,0,0,0,0|2,0,0]=4 5434 B12R1.1 CCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210303 [0,2,0,0,0,0|2,0,0]=4 5435 B12R1.1 CCCNCc1ccc(cc1)Cl 270004a_100020643023_100000189385 [0,2,0,0,0,0|2,0,0]=4 5436 B12R1.1 CCCNCc1ccc(cc1)Cl 34a_100000174871_100000210303 [0,2,0,0,0,0|2,0,0]=4 5437 B12R1.1 CCCNCc1ccc(cc1)F 207a_100020643023_100000210084 [0,2,0,0,0,0|2,0,0]=4 5438 B12R1.1 CCCNCc1ccc(cc1)F 2230a_100000174882_100000210303 [0,2,0,0,0,0|2,0,0]=4 5439 B12R1.1 CCCNCc1ccc(cc1)F 270004a_100020643023_100000210084 [0,2,0,0,0,0|2,0,0]=4 5440 B12R1.1 CCCNCc1ccc(cc1)F 34a_100000174882_100000210303 [0,2,0,0,0,0|2,0,0]=4 5441 B12R1.1 CCCNCc1ccc(cc1)I 207a_100020643023_100000188517 [0,2,0,0,0,0|2,0,0]=4 5442 B12R1.1 CCCNCc1ccc(cc1)I 2230a_100016989417_100000210303 [0,2,0,0,0,0|2,0,0]=4 5443 B12R1.1 CCCNCc1ccc(cc1)I 34a_100016989417_100000210303 [0,2,0,0,0,0|2,0,0]=4 5444 B12R1.1 CCCNCc1ccc(cc1)O 34a_100000185549_100000210303 [0,2,0,0,0,0|2,0,0]=4 5445 B12R1.1 CCCNCc1ccc(cn1)Br 207a_100020643023_100000754260 [0,2,0,0,0,0|1,0,0]=3 5446 B12R1.1 CCCNCc1ccc(cn1)Br 270004a_100020643023_100000754260 [0,2,0,0,0,0|1,0,0]=3 5447 B12R1.1 CCCNCc1ccc(cn1)Br 34a_100015188789_100000210303 [0,2,0,0,0,0|1,0,0]=3 5448 B12R1.1 CCCNCc1ccc(cn1)C 207a_100020643023_100000050478 [0,2,0,0,0,0|1,0,0]=3 5449 B12R1.1 CCCNCc1ccc(cn1)C 270004a_100020643023_100000050478 [0,2,0,0,0,0|1,0,0]=3 5450 B12R1.1 CCCNCc1ccc(cn1)C 34a_100015187455_100000210303 [0,2,0,0,0,0|1,0,0]=3 5451 B12R1.1 CCCNCc1ccc(cn1)Cl 207a_100020643023_100011361569 [0,2,0,0,0,0|1,0,0]=3 5452 B12R1.1 CCCNCc1ccc(cn1)Cl 270004a_100020643023_100011361569 [0,2,0,0,0,0|1,0,0]=3 5453 B12R1.1 CCCNCc1ccc(cn1)Cl 34a_100000697193_100000210303 [0,2,0,0,0,0|1,0,0]=3 5454 B12R1.1 CCCNCc1ccc(cn1)F 207a_100020643023_100011934744 [0,2,0,0,0,0|1,0,0]=3 5455 B12R1.1 CCCNCc1ccc(cn1)F 270004a_100020643023_100011934744 [0,2,0,0,0,0|1,0,0]=3 5456 B12R1.1 CCCNCc1ccc(cn1)F 34a_100020620131_100000210303 [0,2,0,0,0,0|1,0,0]=3 5457 B12R1.1 CCCNCc1ccc(nn1)Cl 270004a_100020643023_100000044651 [0,2,0,0,0,0|2,0,0]=4 5458 B12R1.1 CCCNCc1cnc(cn1)C 270004a_100020643023_100000685221 [0,2,0,0,0,0|2,0,0]=4 5459 B12R1.1 CCCNCc1cnc(cn1)C 34a_100132314150_100000210303 [0,2,0,0,0,0|2,0,0]=4 5460 B12R1.1 CCCNCc1cnc(cn1)Cl 270004a_100020643023_100012001714 [0,2,0,0,0,0|2,0,0]=4 5461 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000210258_100000189115 [0,2,0,0,0,0|2,0,0]=4 5462 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000695286_100000210303 [0,2,0,0,0,0|2,0,0]=4 5463 B12R1.1 CCCOCc1ccc(cc1)C 34a_100000210258_100000210814 [0,2,0,0,0,0|2,0,0]=4 5464 B12R1.1 CCCOCc1ccc(cc1)C 34a_100011215236_100000210303 [0,2,0,0,0,0|2,0,0]=4 5465 B12R1.1 CCCOCc1ccc(cc1)C 7a_100011215236_100000210303 [0,2,0,0,0,0|2,0,0]=4 5466 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000210258_100000694040 [0,2,0,0,0,0|2,0,0]=4 5467 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000211118_100000210303 [0,2,0,0,0,0|2,0,0]=4 5468 B12R1.1 CCCOCc1ccc(cc1)Cl 7a_100000211118_100000210303 [0,2,0,0,0,0|2,0,0]=4 5469 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210258_100000198546 [0,2,0,0,0,0|2,0,0]=4 5470 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210977_100000210303 [0,2,0,0,0,0|2,0,0]=4 5471 B12R1.1 CCCOCc1ccc(cc1)F 7a_100000210977_100000210303 [0,2,0,0,0,0|2,0,0]=4 5472 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000210258_100000189116 [0,2,0,0,0,0|2,0,0]=4 5473 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000690907_100000210303 [0,2,0,0,0,0|2,0,0]=4 5474 B12R1.1 CCCOCc1ccc(cc1)I 7a_100000690907_100000210303 [0,2,0,0,0,0|2,0,0]=4 5475 B12R1.1 CCCOCc1ccc(cc1)N 34a_100011215238_100000210303 [0,2,0,0,0,0|2,0,0]=4 5476 B12R1.1 CCCOCc1ccc(cn1)Br 34a_100000210258_100000702658 [0,2,0,0,0,0|1,0,0]=3 5477 B12R1.1 CCCOCc1ccc(cn1)Br 34a_100000754261_100000210303 [0,2,0,0,0,0|1,0,0]=3 5478 B12R1.1 CCCOCc1ccc(cn1)C 34a_100000210258_100000691093 [0,2,0,0,0,0|1,0,0]=3 5479 B12R1.1 CCCOCc1ccc(cn1)C 34a_100012001401_100000210303 [0,2,0,0,0,0|1,0,0]=3 5480 B12R1.1 CCCOCc1ccc(cn1)Cl 34a_100000210258_100012066911 [0,2,0,0,0,0|1,0,0]=3 5481 B12R1.1 CCCOCc1ccc(cn1)Cl 34a_100000703999_100000210303 [0,2,0,0,0,0|1,0,0]=3 5482 B12R1.1 CCCOCc1ccc(cn1)F 34a_100000210258_100000703193 [0,2,0,0,0,0|1,0,0]=3 5483 B12R1.1 CCCOCc1ccc(cn1)F 34a_100011999454_100000210303 [0,2,0,0,0,0|1,0,0]=3 5484 B12R1.1 CCCOCc1ccc(cn1)N 34a_100011998161_100000210303 [0,2,0,0,0,0|1,0,0]=3 5485 B12R1.1 CCCOCc1ccc(nn1)Cl 34a_100000210258_100016992710 [0,2,0,0,0,0|2,0,0]=4 5486 B12R1.1 CCCOCc1cnc(cn1)C 34a_100011273949_100000210303 [0,2,0,0,0,0|2,0,0]=4 5487 B12R1.1 CCCOCc1cnc(cn1)Cl 34a_100012002382_100000210303 [0,2,0,0,0,0|2,0,0]=4 5488 B12R1.1 CCCOCc1ncc(cn1)Br 34a_100000210258_100010064664 [0,2,0,0,0,0|2,0,0]=4 5489 B12R1.1 CCCOCc1ncc(cn1)C 34a_100000210258_100000685645 [0,2,0,0,0,0|2,0,0]=4 5490 B12R1.1 CCCSCc1ccc(cc1)Br 62a_100000189115_100000210303 [0,2,0,0,0,0|2,0,0]=4 5491 B12R1.1 CCCSCc1ccc(cc1)Br 62a_100000210303_100000189115 [0,2,0,0,0,0|2,0,0]=4 5492 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210303_100000210814 [0,2,0,0,0,0|2,0,0]=4 5493 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210814_100000210303 [0,2,0,0,0,0|2,0,0]=4 5494 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000187161_100000210303 [0,2,0,0,0,0|2,0,0]=4 5495 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000210303_100000187161 [0,2,0,0,0,0|2,0,0]=4 5496 B12R1.1 CCCSCc1ccc(cc1)F 62a_100000198546_100000210303 [0,2,0,0,0,0|2,0,0]=4 5497 B12R1.1 CCCSCc1ccc(cc1)F 62a_100000210303_100000187164 [0,2,0,0,0,0|2,0,0]=4 5498 B12R1.1 CCCSCc1ccc(cc1)I 62a_100000189116_100000210303 [0,2,0,0,0,0|2,0,0]=4 5499 B12R1.1 CCCSCc1ccc(cc1)I 62a_100000210303_100000189116 [0,2,0,0,0,0|2,0,0]=4 5500 B12R1.1 CCCSCc1ccc(cn1)Br 62a_100000210303_100000702658 [0,2,0,0,0,0|1,0,0]=3 5501 B12R1.1 CCCSCc1ccc(cn1)Br 62a_100000702658_100000210303 [0,2,0,0,0,0|1,0,0]=3 5502 B12R1.1 CCCSCc1ccc(cn1)C 62a_100000210303_100000691093 [0,2,0,0,0,0|1,0,0]=3 5503 B12R1.1 CCCSCc1ccc(cn1)C 62a_100000691093_100000210303 [0,2,0,0,0,0|1,0,0]=3 5504 B12R1.1 CCCSCc1ccc(cn1)Cl 62a_100000210303_100000697101 [0,2,0,0,0,0|1,0,0]=3 5505 B12R1.1 CCCSCc1ccc(cn1)Cl 62a_100012066911_100000210303 [0,2,0,0,0,0|1,0,0]=3 5506 B12R1.1 CCCSCc1ccc(cn1)F 62a_100000210303_100000703193 [0,2,0,0,0,0|1,0,0]=3 5507 B12R1.1 CCCSCc1ccc(cn1)F 62a_100000703193_100000210303 [0,2,0,0,0,0|1,0,0]=3 5508 B12R1.1 CCCSCc1ccc(nn1)Cl 62a_100000210303_100016992710 [0,2,0,0,0,0|2,0,0]=4 5509 B12R1.1 CCCSCc1ccc(nn1)Cl 62a_100016992710_100000210303 [0,2,0,0,0,0|2,0,0]=4 5510 B12R1.1 CCCSCc1cnc(cn1)C 62a_100000210303_100000752025 [0,2,0,0,0,0|2,0,0]=4 5511 B12R1.1 CCCSCc1cnc(cn1)C 62a_100000752025_100000210303 [0,2,0,0,0,0|2,0,0]=4 5512 B12R1.1 CCCSCc1ncc(cn1)Br 62a_100000210303_100010064664 [0,2,0,0,0,0|2,0,0]=4 5513 B12R1.1 CCCSCc1ncc(cn1)Br 62a_100010064664_100000210303 [0,2,0,0,0,0|2,0,0]=4 5514 B12R1.1 CCCSCc1ncc(cn1)C 62a_100000210303_100000685645 [0,2,0,0,0,0|2,0,0]=4 5515 B12R1.1 CCCSCc1ncc(cn1)C 62a_100000685645_100000210303 [0,2,0,0,0,0|2,0,0]=4 5516 B12R1.1 CCNCCc1ccc(cc1)Br 2230a_100000755846_100000210202 [0,2,0,0,0,0|1,0,0]=3 5517 B12R1.1 CCNCCc1ccc(cc1)Br 2230a_100015525214_100011740612 [0,2,0,0,0,0|1,0,0]=3 5518 B12R1.1 CCNCCc1ccc(cc1)Br 34a_100000755846_100000210202 [0,2,0,0,0,0|1,0,0]=3 5519 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100000705350_100000210202 [0,2,0,0,0,0|1,0,0]=3 5520 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100015525214_100011713686 [0,2,0,0,0,0|1,0,0]=3 5521 B12R1.1 CCNCCc1ccc(cc1)C 34a_100000705350_100000210202 [0,2,0,0,0,0|1,0,0]=3 5522 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210202 [0,2,0,0,0,0|1,0,0]=3 5523 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100015525214_100011713675 [0,2,0,0,0,0|1,0,0]=3 5524 B12R1.1 CCNCCc1ccc(cc1)Cl 34a_100000185265_100000210202 [0,2,0,0,0,0|1,0,0]=3 5525 B12R1.1 CCNCCc1ccc(cc1)F 2230a_100000199005_100000210202 [0,2,0,0,0,0|1,0,0]=3 5526 B12R1.1 CCNCCc1ccc(cc1)F 2230a_100015525214_100011217392 [0,2,0,0,0,0|1,0,0]=3 5527 B12R1.1 CCNCCc1ccc(cc1)F 34a_100000199005_100000210202 [0,2,0,0,0,0|1,0,0]=3 5528 B12R1.1 CCNCCc1ccc(cc1)O 2230a_100015525214_100009816426 [0,2,0,0,0,0|1,0,0]=3 5529 B12R1.1 CCNCCc1ccc(cc1)O 34a_100000743037_100000210202 [0,2,0,0,0,0|1,0,0]=3 5530 B12R1.1 CCNN=Cc1ccc(cn1)Br 4a_100000756455_100000754260 [0,2,0,0,0,0|1,0,1]=4 5531 B12R1.1 CCNN=Cc1ccc(cn1)C 4a_100000756455_100000050478 [0,2,0,0,0,0|1,0,1]=4 5532 B12R1.1 CCNN=Cc1ccc(cn1)Cl 4a_100000756455_100011361569 [0,2,0,0,0,0|1,0,1]=4 5533 B12R1.1 CCNN=Cc1ccc(cn1)F 4a_100000756455_100011934744 [0,2,0,0,0,0|1,0,1]=4 5534 B12R1.1 CCNN=Cc1ccc(cn1)O 4a_100000756455_100000059846 [0,2,0,0,0,0|1,0,1]=4 5535 B12R1.1 CCOCCc1ccc(cc1)Br 34a_100000766406_100000210202 [0,2,0,0,0,0|2,0,0]=4 5536 B12R1.1 CCOCCc1ccc(cc1)Br 34a_100121572206_100011740612 [0,2,0,0,0,0|2,0,0]=4 5537 B12R1.1 CCOCCc1ccc(cc1)Br 7a_100000766406_100000210202 [0,2,0,0,0,0|2,0,0]=4 5538 B12R1.1 CCOCCc1ccc(cc1)C 34a_100000756670_100000210202 [0,2,0,0,0,0|2,0,0]=4 5539 B12R1.1 CCOCCc1ccc(cc1)C 34a_100121572206_100011713686 [0,2,0,0,0,0|2,0,0]=4 5540 B12R1.1 CCOCCc1ccc(cc1)C 7a_100000756670_100000210202 [0,2,0,0,0,0|2,0,0]=4 5541 B12R1.1 CCOCCc1ccc(cc1)Cl 34a_100011219627_100000210202 [0,2,0,0,0,0|2,0,0]=4 5542 B12R1.1 CCOCCc1ccc(cc1)Cl 34a_100121572206_100011713675 [0,2,0,0,0,0|2,0,0]=4 5543 B12R1.1 CCOCCc1ccc(cc1)Cl 7a_100011219627_100000210202 [0,2,0,0,0,0|2,0,0]=4 5544 B12R1.1 CCOCCc1ccc(cc1)F 34a_100000754732_100000210202 [0,2,0,0,0,0|2,0,0]=4 5545 B12R1.1 CCOCCc1ccc(cc1)F 34a_100121572206_100011217392 [0,2,0,0,0,0|2,0,0]=4 5546 B12R1.1 CCOCCc1ccc(cc1)F 7a_100000754732_100000210202 [0,2,0,0,0,0|2,0,0]=4 5547 B12R1.1 CCOCCc1ccc(cc1)I 34a_100012291149_100000210202 [0,2,0,0,0,0|2,0,0]=4 5548 B12R1.1 CCOCCc1ccc(cc1)I 7a_100012291149_100000210202 [0,2,0,0,0,0|2,0,0]=4 5549 B12R1.1 CCOCCc1ccc(cc1)N 34a_100011204434_100000210202 [0,2,0,0,0,0|2,0,0]=4 5550 B12R1.1 CCOCCc1ccc(cn1)Br 34a_100012357577_100000210202 [0,2,0,0,0,0|1,0,0]=3 5551 B12R1.1 CCOCSc1ccc(cn1)Br 62a_100000686858_100000739092 [0,2,0,0,0,0|2,0,0]=4 5552 B12R1.1 CCOCSc1ccc(cn1)Br 62a_100000739092_100000686858 [0,2,0,0,0,0|2,0,0]=4 5553 B12R1.1 CCOCSc1ccc(cn1)C 62a_100000739092_100000754016 [0,2,0,0,0,0|2,0,0]=4 5554 B12R1.1 CCOCSc1ccc(cn1)C 62a_100011192072_100000739092 [0,2,0,0,0,0|2,0,0]=4 5555 B12R1.1 CCOCSc1ccc(cn1)Cl 62a_100000739092_100011356976 [0,2,0,0,0,0|2,0,0]=4 5556 B12R1.1 CCOCSc1ccc(cn1)Cl 62a_100011356976_100000739092 [0,2,0,0,0,0|2,0,0]=4 5557 B12R1.1 CCOCSc1ccc(cn1)F 62a_100000739092_100000744514 [0,2,0,0,0,0|2,0,0]=4 5558 B12R1.1 CCOCSc1ccc(cn1)F 62a_100000744514_100000739092 [0,2,0,0,0,0|2,0,0]=4 5559 B12R1.1 CCOCSc1ccc(cn1)N 62a_100000737798_100000739092 [0,2,0,0,0,0|2,0,0]=4 5560 B12R1.1 CCOCSc1ccc(cn1)N 62a_100000739092_100000737798 [0,2,0,0,0,0|2,0,0]=4 5561 B12R1.1 CCOCSc1ccc(cn1)O 62a_100000685995_100000739092 [0,2,0,0,0,0|2,0,0]=4 5562 B12R1.1 CCOCSc1ccc(cn1)O 62a_100000739092_100000744096 [0,2,0,0,0,0|2,0,0]=4 5563 B12R1.1 CCSCCc1ccc(cc1)Br 62a_100000210202_100011740612 [0,2,0,0,0,0|2,0,0]=4 5564 B12R1.1 CCSCCc1ccc(cc1)Br 62a_100011740612_100000210202 [0,2,0,0,0,0|2,0,0]=4 5565 B12R1.1 CCSCCc1ccc(cc1)C 62a_100000210202_100011713686 [0,2,0,0,0,0|2,0,0]=4 5566 B12R1.1 CCSCCc1ccc(cc1)C 62a_100011713686_100000210202 [0,2,0,0,0,0|2,0,0]=4 5567 B12R1.1 CCSCCc1ccc(cc1)Cl 62a_100000210202_100011713675 [0,2,0,0,0,0|2,0,0]=4 5568 B12R1.1 CCSCCc1ccc(cc1)Cl 62a_100011713675_100000210202 [0,2,0,0,0,0|2,0,0]=4 5569 B12R1.1 CCSCCc1ccc(cc1)F 62a_100000210202_100011217392 [0,2,0,0,0,0|2,0,0]=4 5570 B12R1.1 CCSCCc1ccc(cc1)F 62a_100011217392_100000210202 [0,2,0,0,0,0|2,0,0]=4 5571 B12R1.1 CCSCCc1ccc(cc1)O 62a_100000210202_100009816426 [0,2,0,0,0,0|2,0,0]=4 5572 B12R1.1 CCSCCc1ccc(cc1)O 62a_100009816426_100000210202 [0,2,0,0,0,0|2,0,0]=4 5573 B12R1.1 CNCC#Cc1ccc(cc1)Br 2230a_106832991635_100010706785 [0,2,0,0,0,0|1,0,1]=4 5574 B12R1.1 CNCC#Cc1ccc(cc1)Br 34a_100102657272_100010706785 [0,2,0,0,0,0|1,0,1]=4 5575 B12R1.1 CNCC#Cc1ccc(cc1)Br 7a_106832991635_100010706785 [0,2,0,0,0,0|1,0,1]=4 5576 B12R1.1 CNCC#Cc1ccc(cc1)Cl 2230a_100011352944_200000210301 [0,2,0,0,0,0|1,0,1]=4 5577 B12R1.1 CNCC#Cc1ccc(cc1)Cl 34a_100011352944_200000210301 [0,2,0,0,0,0|1,0,1]=4 5578 B12R1.1 CNCC#Cc1ccc(cc1)F 2230a_106832991635_100010402171 [0,2,0,0,0,0|1,0,1]=4 5579 B12R1.1 CNCC#Cc1ccc(cc1)F 34a_100102657272_100010402171 [0,2,0,0,0,0|1,0,1]=4 5580 B12R1.1 CNCC#Cc1ccc(cc1)F 7a_106832991635_100010402171 [0,2,0,0,0,0|1,0,1]=4 5581 B12R1.1 CNCC=Cc1ccc(cc1)Br 270004a_106832991635_100016291818 [0,2,0,0,0,0|1,0,1]=4 5582 B12R1.1 CNCC=Cc1ccc(cc1)C 270004a_106832991635_100016257026 [0,2,0,0,0,0|1,0,1]=4 5583 B12R1.1 CNCC=Cc1ccc(cc1)Cl 270004a_106832991635_100102525842 [0,2,0,0,0,0|1,0,1]=4 5584 B12R1.1 CNCC=Cc1ccc(cc1)F 270004a_106832991635_100016272083 [0,2,0,0,0,0|1,0,1]=4 5585 B12R1.1 CNCCCc1ccc(cc1)Br 2230a_100011297623_200000210301 [0,2,0,0,0,0|1,0,0]=3 5586 B12R1.1 CNCCCc1ccc(cc1)Br 2230a_106832991635_100011713682 [0,2,0,0,0,0|1,0,0]=3 5587 B12R1.1 CNCCCc1ccc(cc1)Br 34a_100011297623_200000210301 [0,2,0,0,0,0|1,0,0]=3 5588 B12R1.1 CNCCCc1ccc(cc1)Br 34a_100102657272_100011713682 [0,2,0,0,0,0|1,0,0]=3 5589 B12R1.1 CNCCCc1ccc(cc1)Br 7a_106832991635_100011713682 [0,2,0,0,0,0|1,0,0]=3 5590 B12R1.1 CNCCCc1ccc(cc1)C 2230a_100011236272_200000210301 [0,2,0,0,0,0|1,0,0]=3 5591 B12R1.1 CNCCCc1ccc(cc1)C 34a_100011236272_200000210301 [0,2,0,0,0,0|1,0,0]=3 5592 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_100000748451_200000210301 [0,2,0,0,0,0|1,0,0]=3 5593 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_106832991635_100000759440 [0,2,0,0,0,0|1,0,0]=3 5594 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100000748451_200000210301 [0,2,0,0,0,0|1,0,0]=3 5595 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100102657272_100000759440 [0,2,0,0,0,0|1,0,0]=3 5596 B12R1.1 CNCCCc1ccc(cc1)Cl 7a_106832991635_100000759440 [0,2,0,0,0,0|1,0,0]=3 5597 B12R1.1 CNCCCc1ccc(cc1)F 2230a_100025745824_200000210301 [0,2,0,0,0,0|1,0,0]=3 5598 B12R1.1 CNCCCc1ccc(cc1)F 2230a_106832991635_200011713563 [0,2,0,0,0,0|1,0,0]=3 5599 B12R1.1 CNCCCc1ccc(cc1)F 34a_100025745824_200000210301 [0,2,0,0,0,0|1,0,0]=3 5600 B12R1.1 CNCCCc1ccc(cc1)F 34a_100102657272_200011713563 [0,2,0,0,0,0|1,0,0]=3 5601 B12R1.1 CNCCCc1ccc(cc1)F 7a_106832991635_200011713563 [0,2,0,0,0,0|1,0,0]=3 5602 B12R1.1 CNCCOc1ccc(cc1)Br 2230a_100000746992_200000210301 [0,2,0,0,0,0|1,0,0]=3 5603 B12R1.1 CNCCOc1ccc(cc1)Br 2230a_106832991635_100000183278 [0,2,0,0,0,0|1,0,0]=3 5604 B12R1.1 CNCCOc1ccc(cc1)Br 34a_100000746992_200000210301 [0,2,0,0,0,0|1,0,0]=3 5605 B12R1.1 CNCCOc1ccc(cc1)Br 34a_100102657272_100000183278 [0,2,0,0,0,0|1,0,0]=3 5606 B12R1.1 CNCCOc1ccc(cc1)Br 7a_106832991635_100000183278 [0,2,0,0,0,0|1,0,0]=3 5607 B12R1.1 CNCCOc1ccc(cc1)C 2230a_100020666663_200000210301 [0,2,0,0,0,0|1,0,0]=3 5608 B12R1.1 CNCCOc1ccc(cc1)C 2230a_106832991635_100000183172 [0,2,0,0,0,0|1,0,0]=3 5609 B12R1.1 CNCCOc1ccc(cc1)C 34a_100020666663_200000210301 [0,2,0,0,0,0|1,0,0]=3 5610 B12R1.1 CNCCOc1ccc(cc1)C 34a_100102657272_100000183172 [0,2,0,0,0,0|1,0,0]=3 5611 B12R1.1 CNCCOc1ccc(cc1)C 7a_106832991635_100000183172 [0,2,0,0,0,0|1,0,0]=3 5612 B12R1.1 CNCCOc1ccc(cc1)Cl 2230a_100000697975_200000210301 [0,2,0,0,0,0|1,0,0]=3 5613 B12R1.1 CNCCOc1ccc(cc1)Cl 2230a_106832991635_100000184122 [0,2,0,0,0,0|1,0,0]=3 5614 B12R1.1 CNCCOc1ccc(cc1)Cl 34a_100000697975_200000210301 [0,2,0,0,0,0|1,0,0]=3 5615 B12R1.1 CNCCOc1ccc(cc1)Cl 34a_100102657272_100000184122 [0,2,0,0,0,0|1,0,0]=3 5616 B12R1.1 CNCCOc1ccc(cc1)Cl 7a_106832991635_100000184122 [0,2,0,0,0,0|1,0,0]=3 5617 B12R1.1 CNCCOc1ccc(cc1)F 2230a_100000737420_200000210301 [0,2,0,0,0,0|1,0,0]=3 5618 B12R1.1 CNCCOc1ccc(cc1)F 2230a_106832991635_100000184936 [0,2,0,0,0,0|1,0,0]=3 5619 B12R1.1 CNCCOc1ccc(cc1)F 34a_100000737420_200000210301 [0,2,0,0,0,0|1,0,0]=3 5620 B12R1.1 CNCCOc1ccc(cc1)F 34a_100102657272_100000184936 [0,2,0,0,0,0|1,0,0]=3 5621 B12R1.1 CNCCOc1ccc(cc1)F 7a_106832991635_100000184936 [0,2,0,0,0,0|1,0,0]=3 5622 B12R1.1 CNCCSc1ccc(cc1)Br 2230a_100000184645_200000210301 [0,2,0,0,0,0|1,0,0]=3 5623 B12R1.1 CNCCSc1ccc(cc1)C 2230a_100000739754_200000210301 [0,2,0,0,0,0|1,0,0]=3 5624 B12R1.1 CNCCSc1ccc(cc1)Cl 2230a_100000174974_200000210301 [0,2,0,0,0,0|1,0,0]=3 5625 B12R1.1 COCC=Cc1ccc(cn1)Br 271570a_100016286323_100000686858 [0,2,0,0,0,0|1,0,1]=4 5626 B12R1.1 COCC=Cc1ccc(cn1)C 271570a_100016286323_100000754016 [0,2,0,0,0,0|1,0,1]=4 5627 B12R1.1 COCC=Cc1ccc(cn1)Cl 271570a_100016286323_100011356976 [0,2,0,0,0,0|1,0,1]=4 5628 B12R1.1 COCC=Cc1ccc(cn1)F 271570a_100016286323_100000744514 [0,2,0,0,0,0|1,0,1]=4 5629 B12R1.1 COCC=Cc1ccc(cn1)N 271570a_100016286323_100000744251 [0,2,0,0,0,0|1,0,1]=4 5630 B12R1.1 COCC=Cc1ccc(cn1)O 271570a_100016286323_100000685995 [0,2,0,0,0,0|1,0,1]=4 5631 B12R1.1 COCCCc1ccc(cc1)Br 34a_100011709247_200000210301 [0,2,0,0,0,0|2,0,0]=4 5632 B12R1.1 COCCCc1ccc(cc1)Br 34a_100138415774_100011713682 [0,2,0,0,0,0|2,0,0]=4 5633 B12R1.1 COCCCc1ccc(cc1)Br 7a_100011709247_200000210301 [0,2,0,0,0,0|2,0,0]=4 5634 B12R1.1 COCCCc1ccc(cc1)C 34a_100000189427_200000210301 [0,2,0,0,0,0|2,0,0]=4 5635 B12R1.1 COCCCc1ccc(cc1)C 7a_100000189427_200000210301 [0,2,0,0,0,0|2,0,0]=4 5636 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100011217485_200000210301 [0,2,0,0,0,0|2,0,0]=4 5637 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100138415774_100000759440 [0,2,0,0,0,0|2,0,0]=4 5638 B12R1.1 COCCCc1ccc(cc1)Cl 7a_100011217485_200000210301 [0,2,0,0,0,0|2,0,0]=4 5639 B12R1.1 COCCCc1ccc(cc1)F 34a_100000757351_200000210301 [0,2,0,0,0,0|2,0,0]=4 5640 B12R1.1 COCCCc1ccc(cc1)F 34a_100138415774_200011713563 [0,2,0,0,0,0|2,0,0]=4 5641 B12R1.1 COCCCc1ccc(cc1)F 7a_100000757351_200000210301 [0,2,0,0,0,0|2,0,0]=4 5642 B12R1.1 COCCNc1ccc(cc1)Br 2230a_100000210018_100011201679 [0,2,0,0,0,0|2,0,0]=4 5643 B12R1.1 COCCNc1ccc(cc1)Br 34a_100000210018_100011201679 [0,2,0,0,0,0|2,0,0]=4 5644 B12R1.1 COCCNc1ccc(cc1)C 34a_100000124888_100011201679 [0,2,0,0,0,0|2,0,0]=4 5645 B12R1.1 COCCNc1ccc(cc1)Cl 2230a_100000210052_100011201679 [0,2,0,0,0,0|2,0,0]=4 5646 B12R1.1 COCCNc1ccc(cc1)Cl 34a_100000210052_100011201679 [0,2,0,0,0,0|2,0,0]=4 5647 B12R1.1 COCCNc1ccc(cc1)F 34a_100000185862_100011201679 [0,2,0,0,0,0|2,0,0]=4 5648 B12R1.1 COCCNc1ccc(cc1)I 34a_100000185761_100011201679 [0,2,0,0,0,0|2,0,0]=4 5649 B12R1.1 COCCNc1ccc(cc1)O 34a_100000185829_100011201679 [0,2,0,0,0,0|2,0,0]=4 5650 B12R1.1 COCCNc1ccc(cn1)Br 27a_100000209980_100000686858 [0,2,0,0,0,0|1,0,0]=3 5651 B12R1.1 COCCNc1ccc(nn1)C 27a_100000209980_100000744512 [0,2,0,0,0,0|2,0,0]=4 5652 B12R1.1 COCCNc1ccc(nn1)Cl 34a_100000767036_200000210301 [0,2,0,0,0,0|2,0,0]=4 5653 B12R1.1 COCCNc1cnc(cn1)Br 27a_100000209980_100010187541 [0,2,0,0,0,0|2,0,0]=4 5654 B12R1.1 COCCNc1cnc(cn1)C 27a_100000209980_100000074397 [0,2,0,0,0,0|2,0,0]=4 5655 B12R1.1 COCCNc1cnc(cn1)F 27a_100000209980_100009856528 [0,2,0,0,0,0|2,0,0]=4 5656 B12R1.1 COCCNc1ncc(cn1)Br 27a_100000209980_100000690281 [0,2,0,0,0,0|2,0,0]=4 5657 B12R1.1 COCCNc1ncc(cn1)C 27a_100000209980_100000061069 [0,2,0,0,0,0|2,0,0]=4 5658 B12R1.1 COCCNc1ncc(cn1)Cl 27a_100000209980_100011356929 [0,2,0,0,0,0|2,0,0]=4 5659 B12R1.1 COCCNc1ncc(cn1)F 27a_100000209980_100000685220 [0,2,0,0,0,0|2,0,0]=4 5660 B12R1.1 COCCNc1ncc(cn1)O 271570a_203496583355_100011938757 [0,2,0,0,0,0|2,0,0]=4 5661 B12R1.1 COCCOc1ccc(cc1)Br 34a_100000185759_100011201679 [0,2,0,0,0,0|2,0,0]=4 5662 B12R1.1 COCCOc1ccc(cc1)Br 34a_100000686261_200000210301 [0,2,0,0,0,0|2,0,0]=4 5663 B12R1.1 COCCOc1ccc(cc1)Br 34a_100138415774_100000183278 [0,2,0,0,0,0|2,0,0]=4 5664 B12R1.1 COCCOc1ccc(cc1)Br 7a_100000185759_100000233755 [0,2,0,0,0,0|2,0,0]=4 5665 B12R1.1 COCCOc1ccc(cc1)Br 7a_100000686261_200000210301 [0,2,0,0,0,0|2,0,0]=4 5666 B12R1.1 COCCOc1ccc(cc1)C 34a_100000210336_100011201679 [0,2,0,0,0,0|2,0,0]=4 5667 B12R1.1 COCCOc1ccc(cc1)C 34a_100011219107_200000210301 [0,2,0,0,0,0|2,0,0]=4 5668 B12R1.1 COCCOc1ccc(cc1)C 34a_100138415774_100000183172 [0,2,0,0,0,0|2,0,0]=4 5669 B12R1.1 COCCOc1ccc(cc1)C 7a_100000210336_100000233755 [0,2,0,0,0,0|2,0,0]=4 5670 B12R1.1 COCCOc1ccc(cc1)C 7a_100011219107_200000210301 [0,2,0,0,0,0|2,0,0]=4 5671 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100000210216_100011201679 [0,2,0,0,0,0|2,0,0]=4 5672 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100000237962_200000210301 [0,2,0,0,0,0|2,0,0]=4 5673 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100138415774_100000184122 [0,2,0,0,0,0|2,0,0]=4 5674 B12R1.1 COCCOc1ccc(cc1)Cl 7a_100000210216_100000233755 [0,2,0,0,0,0|2,0,0]=4 5675 B12R1.1 COCCOc1ccc(cc1)Cl 7a_100000237962_200000210301 [0,2,0,0,0,0|2,0,0]=4 5676 B12R1.1 COCCOc1ccc(cc1)F 34a_100000210339_100011201679 [0,2,0,0,0,0|2,0,0]=4 5677 B12R1.1 COCCOc1ccc(cc1)F 34a_100138415774_100000184936 [0,2,0,0,0,0|2,0,0]=4 5678 B12R1.1 COCCOc1ccc(cc1)I 34a_100000212066_100011201679 [0,2,0,0,0,0|2,0,0]=4 5679 B12R1.1 COCCOc1ccc(cc1)I 7a_100000212066_100000233755 [0,2,0,0,0,0|2,0,0]=4 5680 B12R1.1 COCCOc1ccc(cc1)N 34a_100000185829_100011201679 [0,2,0,0,0,0|2,0,0]=4 5681 B12R1.1 COCCOc1ccc(cc1)N 34a_100000754363_200000210301 [0,2,0,0,0,0|2,0,0]=4 5682 B12R1.1 COCCOc1ccc(cc1)O 271570a_203496583355_100000234135 [0,2,0,0,0,0|2,0,0]=4 5683 B12R1.1 COCCOc1ccc(cn1)C 34a_100000759353_100011201679 [0,2,0,0,0,0|1,0,0]=3 5684 B12R1.1 COCCOc1ccc(cn1)Cl 34a_100011215309_100011201679 [0,2,0,0,0,0|1,0,0]=3 5685 B12R1.1 COCCOc1ccc(cn1)F 34a_100000742473_100011201679 [0,2,0,0,0,0|1,0,0]=3 5686 B12R1.1 COCCOc1ccc(cn1)N 34a_100000729260_100011201679 [0,2,0,0,0,0|1,0,0]=3 5687 B12R1.1 COCCOc1ccc(cn1)N 34a_100102662783_200000210301 [0,2,0,0,0,0|1,0,0]=3 5688 B12R1.1 COCCOc1ccc(cn1)O 271570a_203496583355_100000758753 [0,2,0,0,0,0|1,0,0]=3 5689 B12R1.1 COCCOc1cnc(cn1)Br 34a_100011934580_100011201679 [0,2,0,0,0,0|2,0,0]=4 5690 B12R1.1 COCCOc1cnc(cn1)Cl 34a_100015839800_100011201679 [0,2,0,0,0,0|2,0,0]=4 5691 B12R1.1 COCCOc1ncc(cn1)F 34a_100011934040_100011201679 [0,2,0,0,0,0|2,0,0]=4 5692 B12R1.1 COCCOc1ncc(cn1)O 271570a_203496583355_200011939457 [0,2,0,0,0,0|2,0,0]=4 5693 B12R1.1 COCCSc1ccc(=O)[nH]n1 62a_100000233755_100009820020 [0,2,0,0,0,0|2,0,0]=4 5694 B12R1.1 COCCSc1ccc(=O)[nH]n1 62a_100009820020_100000233755 [0,2,0,0,0,0|2,0,0]=4 5695 B12R1.1 COCCSc1ccc(cc1)Br 62a_100000233755_100000752885 [0,2,0,0,0,0|2,0,0]=4 5696 B12R1.1 COCCSc1ccc(cc1)Br 62a_100000752885_100000233755 [0,2,0,0,0,0|2,0,0]=4 5697 B12R1.1 COCCSc1ccc(cc1)C 34a_200000230582_200000210301 [0,2,0,0,0,0|2,0,0]=4 5698 B12R1.1 COCCSc1ccc(cc1)C 62a_100000186775_100000233755 [0,2,0,0,0,0|2,0,0]=4 5699 B12R1.1 COCCSc1ccc(cc1)C 62a_100000233755_100000186775 [0,2,0,0,0,0|2,0,0]=4 5700 B12R1.1 COCCSc1ccc(cc1)C 7a_200000230582_200000210301 [0,2,0,0,0,0|2,0,0]=4 5701 B12R1.1 COCCSc1ccc(cc1)Cl 34a_100000230527_200000210301 [0,2,0,0,0,0|2,0,0]=4 5702 B12R1.1 COCCSc1ccc(cc1)Cl 62a_100000233755_100000755918 [0,2,0,0,0,0|2,0,0]=4 5703 B12R1.1 COCCSc1ccc(cc1)Cl 62a_100000755918_100000233755 [0,2,0,0,0,0|2,0,0]=4 5704 B12R1.1 COCCSc1ccc(cc1)Cl 7a_100000230527_200000210301 [0,2,0,0,0,0|2,0,0]=4 5705 B12R1.1 COCCSc1ccc(cc1)F 34a_200000230679_200000210301 [0,2,0,0,0,0|2,0,0]=4 5706 B12R1.1 COCCSc1ccc(cc1)F 62a_100000211213_100000233755 [0,2,0,0,0,0|2,0,0]=4 5707 B12R1.1 COCCSc1ccc(cc1)F 62a_100000233755_100000211213 [0,2,0,0,0,0|2,0,0]=4 5708 B12R1.1 COCCSc1ccc(cc1)F 7a_200000230679_200000210301 [0,2,0,0,0,0|2,0,0]=4 5709 B12R1.1 COCCSc1ccc(cc1)N 62a_100000185761_100000233755 [0,2,0,0,0,0|2,0,0]=4 5710 B12R1.1 COCCSc1ccc(cc1)N 62a_100000233755_100000185761 [0,2,0,0,0,0|2,0,0]=4 5711 B12R1.1 COCCSc1ccc(cc1)O 271570a_203496583355_200009813259 [0,2,0,0,0,0|2,0,0]=4 5712 B12R1.1 COCCSc1ccc(cc1)O 62a_100000233755_100000185759 [0,2,0,0,0,0|2,0,0]=4 5713 B12R1.1 COCCSc1ccc(cn1)Br 62a_100000233755_100000686858 [0,2,0,0,0,0|1,0,0]=3 5714 B12R1.1 COCCSc1ccc(cn1)Br 62a_100000686858_100000233755 [0,2,0,0,0,0|1,0,0]=3 5715 B12R1.1 COCCSc1ccc(cn1)C 62a_100000233755_100000754016 [0,2,0,0,0,0|1,0,0]=3 5716 B12R1.1 COCCSc1ccc(cn1)C 62a_100011192072_100000233755 [0,2,0,0,0,0|1,0,0]=3 5717 B12R1.1 COCCSc1ccc(cn1)Cl 62a_100000233755_100011356976 [0,2,0,0,0,0|1,0,0]=3 5718 B12R1.1 COCCSc1ccc(cn1)Cl 62a_100011356976_100000233755 [0,2,0,0,0,0|1,0,0]=3 5719 B12R1.1 COCCSc1ccc(cn1)F 62a_100000233755_100000744514 [0,2,0,0,0,0|1,0,0]=3 5720 B12R1.1 COCCSc1ccc(cn1)F 62a_100000744514_100000233755 [0,2,0,0,0,0|1,0,0]=3 5721 B12R1.1 COCCSc1ccc(cn1)N 62a_100000233755_100000737798 [0,2,0,0,0,0|1,0,0]=3 5722 B12R1.1 COCCSc1ccc(cn1)N 62a_100000737798_100000233755 [0,2,0,0,0,0|1,0,0]=3 5723 B12R1.1 COCCSc1ccc(cn1)O 62a_100000233755_100000744096 [0,2,0,0,0,0|1,0,0]=3 5724 B12R1.1 COCCSc1ccc(cn1)O 62a_100000685995_100000233755 [0,2,0,0,0,0|1,0,0]=3 5725 B12R1.1 COCCSc1ccc(nn1)C 62a_100000233755_100000744512 [0,2,0,0,0,0|2,0,0]=4 5726 B12R1.1 COCCSc1ccc(nn1)C 62a_100000744512_100000233755 [0,2,0,0,0,0|2,0,0]=4 5727 B12R1.1 COCCSc1ccc(nn1)Cl 62a_100000068654_100000233755 [0,2,0,0,0,0|2,0,0]=4 5728 B12R1.1 COCCSc1ccc(nn1)Cl 62a_100000233755_100000068654 [0,2,0,0,0,0|2,0,0]=4 5729 B12R1.1 COCCSc1ccc(nn1)Cl 7a_100000215309_200000210301 [0,2,0,0,0,0|2,0,0]=4 5730 B12R1.1 COCCSc1ccc(nn1)N 62a_100000233755_100010219413 [0,2,0,0,0,0|2,0,0]=4 5731 B12R1.1 COCCSc1ccc(nn1)N 62a_100010219413_100000233755 [0,2,0,0,0,0|2,0,0]=4 5732 B12R1.1 COCCSc1cnc(cn1)Br 62a_100000233755_100010187541 [0,2,0,0,0,0|2,0,0]=4 5733 B12R1.1 COCCSc1cnc(cn1)Br 62a_100010187541_100000233755 [0,2,0,0,0,0|2,0,0]=4 5734 B12R1.1 COCCSc1cnc(cn1)C 62a_100000233755_100011999403 [0,2,0,0,0,0|2,0,0]=4 5735 B12R1.1 COCCSc1cnc(cn1)C 62a_100011999403_100000233755 [0,2,0,0,0,0|2,0,0]=4 5736 B12R1.1 COCCSc1cnc(cn1)Cl 62a_100000233755_100010214907 [0,2,0,0,0,0|2,0,0]=4 5737 B12R1.1 COCCSc1cnc(cn1)Cl 62a_100010214907_100000233755 [0,2,0,0,0,0|2,0,0]=4 5738 B12R1.1 COCCSc1cnc(cn1)F 62a_100000233755_100009856528 [0,2,0,0,0,0|2,0,0]=4 5739 B12R1.1 COCCSc1cnc(cn1)F 62a_100009856528_100000233755 [0,2,0,0,0,0|2,0,0]=4 5740 B12R1.1 COCCSc1cnc(cn1)N 62a_100000233755_100000744751 [0,2,0,0,0,0|2,0,0]=4 5741 B12R1.1 COCCSc1cnc(cn1)N 62a_100000744751_100000233755 [0,2,0,0,0,0|2,0,0]=4 5742 B12R1.1 COCCSc1cnc(cn1)O 62a_100000233755_100015839800 [0,2,0,0,0,0|2,0,0]=4 5743 B12R1.1 COCCSc1cnc(cn1)O 62a_100011934580_100000233755 [0,2,0,0,0,0|2,0,0]=4 5744 B12R1.1 COCCSc1ncc(cn1)Br 62a_100000233755_100000690281 [0,2,0,0,0,0|2,0,0]=4 5745 B12R1.1 COCCSc1ncc(cn1)Br 62a_100000690281_100000233755 [0,2,0,0,0,0|2,0,0]=4 5746 B12R1.1 COCCSc1ncc(cn1)C 62a_100000061069_100000233755 [0,2,0,0,0,0|2,0,0]=4 5747 B12R1.1 COCCSc1ncc(cn1)C 62a_100000233755_100000061069 [0,2,0,0,0,0|2,0,0]=4 5748 B12R1.1 COCCSc1ncc(cn1)Cl 62a_100000233755_100011356929 [0,2,0,0,0,0|2,0,0]=4 5749 B12R1.1 COCCSc1ncc(cn1)Cl 62a_100011356929_100000233755 [0,2,0,0,0,0|2,0,0]=4 5750 B12R1.1 COCCSc1ncc(cn1)F 62a_100000233755_100000685220 [0,2,0,0,0,0|2,0,0]=4 5751 B12R1.1 COCCSc1ncc(cn1)F 62a_100000685220_100000233755 [0,2,0,0,0,0|2,0,0]=4 5752 B12R1.1 COCCSc1ncc(cn1)N 62a_100000068403_100000233755 [0,2,0,0,0,0|2,0,0]=4 5753 B12R1.1 COCCSc1ncc(cn1)N 62a_100000233755_100000068403 [0,2,0,0,0,0|2,0,0]=4 5754 B12R1.1 COCCSc1ncc(cn1)O 62a_100000233755_100000092845 [0,2,0,0,0,0|2,0,0]=4 5755 B12R1.1 COCCSc1ncc(cn1)O 62a_100000730009_100000233755 [0,2,0,0,0,0|2,0,0]=4 5756 B12R1.1 COCNCc1ccc(cc1)Br 2230a_100000174875_100000766300 [0,2,0,0,0,0|2,0,0]=4 5757 B12R1.1 COCNCc1ccc(cc1)C 2230a_100000174908_100000766300 [0,2,0,0,0,0|2,0,0]=4 5758 B12R1.1 COCNCc1ccc(cc1)Cl 2230a_100000174871_100000766300 [0,2,0,0,0,0|2,0,0]=4 5759 B12R1.1 COCNCc1ccc(cc1)F 2230a_100000174882_100000766300 [0,2,0,0,0,0|2,0,0]=4 5760 B12R1.1 COCNCc1ccc(cc1)I 2230a_100016989417_100000766300 [0,2,0,0,0,0|2,0,0]=4 5761 B12R1.1 COCSCc1ccc(cc1)Br 62a_100000189115_100000766300 [0,2,0,0,0,0|2,0,0]=4 5762 B12R1.1 COCSCc1ccc(cc1)Br 62a_100000766300_100000189115 [0,2,0,0,0,0|2,0,0]=4 5763 B12R1.1 COCSCc1ccc(cc1)C 62a_100000210814_100000766300 [0,2,0,0,0,0|2,0,0]=4 5764 B12R1.1 COCSCc1ccc(cc1)C 62a_100000766300_100000210814 [0,2,0,0,0,0|2,0,0]=4 5765 B12R1.1 COCSCc1ccc(cc1)Cl 62a_100000187161_100000766300 [0,2,0,0,0,0|2,0,0]=4 5766 B12R1.1 COCSCc1ccc(cc1)Cl 62a_100000766300_100000187161 [0,2,0,0,0,0|2,0,0]=4 5767 B12R1.1 COCSCc1ccc(cc1)F 62a_100000198546_100000766300 [0,2,0,0,0,0|2,0,0]=4 5768 B12R1.1 COCSCc1ccc(cc1)F 62a_100000766300_100000187164 [0,2,0,0,0,0|2,0,0]=4 5769 B12R1.1 COCSCc1ccc(cc1)I 62a_100000189116_100000766300 [0,2,0,0,0,0|2,0,0]=4 5770 B12R1.1 COCSCc1ccc(cc1)I 62a_100000766300_100000189116 [0,2,0,0,0,0|2,0,0]=4 5771 B12R1.1 COCSCc1ccc(cn1)Br 62a_100000702658_100000766300 [0,2,0,0,0,0|1,0,0]=3 5772 B12R1.1 COCSCc1ccc(cn1)Br 62a_100000766300_100000702658 [0,2,0,0,0,0|1,0,0]=3 5773 B12R1.1 COCSCc1ccc(cn1)C 62a_100000691093_100000766300 [0,2,0,0,0,0|1,0,0]=3 5774 B12R1.1 COCSCc1ccc(cn1)C 62a_100000766300_100000691093 [0,2,0,0,0,0|1,0,0]=3 5775 B12R1.1 COCSCc1ccc(cn1)Cl 62a_100000766300_100000697101 [0,2,0,0,0,0|1,0,0]=3 5776 B12R1.1 COCSCc1ccc(cn1)Cl 62a_100012066911_100000766300 [0,2,0,0,0,0|1,0,0]=3 5777 B12R1.1 COCSCc1ccc(cn1)F 62a_100000703193_100000766300 [0,2,0,0,0,0|1,0,0]=3 5778 B12R1.1 COCSCc1ccc(cn1)F 62a_100000766300_100000703193 [0,2,0,0,0,0|1,0,0]=3 5779 B12R1.1 COCSCc1ccc(nn1)Cl 62a_100000766300_100016992710 [0,2,0,0,0,0|2,0,0]=4 5780 B12R1.1 COCSCc1ccc(nn1)Cl 62a_100016992710_100000766300 [0,2,0,0,0,0|2,0,0]=4 5781 B12R1.1 COCSCc1cnc(cn1)C 62a_100000752025_100000766300 [0,2,0,0,0,0|2,0,0]=4 5782 B12R1.1 COCSCc1cnc(cn1)C 62a_100000766300_100000752025 [0,2,0,0,0,0|2,0,0]=4 5783 B12R1.1 COCSCc1ncc(cn1)Br 62a_100000766300_100010064664 [0,2,0,0,0,0|2,0,0]=4 5784 B12R1.1 COCSCc1ncc(cn1)Br 62a_100010064664_100000766300 [0,2,0,0,0,0|2,0,0]=4 5785 B12R1.1 COCSCc1ncc(cn1)C 62a_100000685645_100000766300 [0,2,0,0,0,0|2,0,0]=4 5786 B12R1.1 COCSCc1ncc(cn1)C 62a_100000766300_100000685645 [0,2,0,0,0,0|2,0,0]=4 5787 B12R1.1 CSCCCc1ccc(cc1)Br 62a_100011713682_200000210301 [0,2,0,0,0,0|2,0,0]=4 5788 B12R1.1 CSCCCc1ccc(cc1)Br 62a_200000210301_100011713682 [0,2,0,0,0,0|2,0,0]=4 5789 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_100000759440_200000210301 [0,2,0,0,0,0|2,0,0]=4 5790 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_200000210301_100000759440 [0,2,0,0,0,0|2,0,0]=4 5791 B12R1.1 CSCCCc1ccc(cc1)F 62a_200000210301_200011713563 [0,2,0,0,0,0|2,0,0]=4 5792 B12R1.1 CSCCCc1ccc(cc1)F 62a_200011713563_200000210301 [0,2,0,0,0,0|2,0,0]=4 5793 B12R1.1 CSCCNc1ccc(cc1)Br 2230a_100000210018_100000751147 [0,2,0,0,0,0|2,0,0]=4 5794 B12R1.1 CSCCNc1ccc(cc1)Br 34a_100000210018_100000212216 [0,2,0,0,0,0|2,0,0]=4 5795 B12R1.1 CSCCNc1ccc(cc1)C 34a_100000124888_100000212216 [0,2,0,0,0,0|2,0,0]=4 5796 B12R1.1 CSCCNc1ccc(cc1)Cl 2230a_100000210052_100000751147 [0,2,0,0,0,0|2,0,0]=4 5797 B12R1.1 CSCCNc1ccc(cc1)Cl 34a_100000210052_100000212216 [0,2,0,0,0,0|2,0,0]=4 5798 B12R1.1 CSCCNc1ccc(cc1)F 34a_100000185862_100000212216 [0,2,0,0,0,0|2,0,0]=4 5799 B12R1.1 CSCCNc1ccc(cc1)I 34a_100000185761_100000212216 [0,2,0,0,0,0|2,0,0]=4 5800 B12R1.1 CSCCNc1ccc(cc1)O 34a_100000185829_100000212216 [0,2,0,0,0,0|2,0,0]=4 5801 B12R1.1 CSCCNc1ccc(cn1)Br 27a_100020590264_100000686858 [0,2,0,0,0,0|1,0,0]=3 5802 B12R1.1 CSCCNc1ccc(nn1)C 27a_100020590264_100000744512 [0,2,0,0,0,0|2,0,0]=4 5803 B12R1.1 CSCCNc1cnc(cn1)Br 27a_100020590264_100010187541 [0,2,0,0,0,0|2,0,0]=4 5804 B12R1.1 CSCCNc1cnc(cn1)C 27a_100020590264_100000074397 [0,2,0,0,0,0|2,0,0]=4 5805 B12R1.1 CSCCNc1cnc(cn1)F 27a_100020590264_100009856528 [0,2,0,0,0,0|2,0,0]=4 5806 B12R1.1 CSCCNc1ncc(cn1)Br 27a_100020590264_100000690281 [0,2,0,0,0,0|2,0,0]=4 5807 B12R1.1 CSCCNc1ncc(cn1)C 27a_100020590264_100000061069 [0,2,0,0,0,0|2,0,0]=4 5808 B12R1.1 CSCCNc1ncc(cn1)Cl 27a_100020590264_100011356929 [0,2,0,0,0,0|2,0,0]=4 5809 B12R1.1 CSCCNc1ncc(cn1)F 27a_100020590264_100000685220 [0,2,0,0,0,0|2,0,0]=4 5810 B12R1.1 CSCCOc1ccc(cc1)Br 34a_100000185759_100000212216 [0,2,0,0,0,0|2,0,0]=4 5811 B12R1.1 CSCCOc1ccc(cc1)Br 62a_100000183278_200000210301 [0,2,0,0,0,0|2,0,0]=4 5812 B12R1.1 CSCCOc1ccc(cc1)Br 62a_200000210301_100000183278 [0,2,0,0,0,0|2,0,0]=4 5813 B12R1.1 CSCCOc1ccc(cc1)Br 7a_100000185759_100000212216 [0,2,0,0,0,0|2,0,0]=4 5814 B12R1.1 CSCCOc1ccc(cc1)C 34a_100000210336_100000212216 [0,2,0,0,0,0|2,0,0]=4 5815 B12R1.1 CSCCOc1ccc(cc1)C 62a_100000183172_200000210301 [0,2,0,0,0,0|2,0,0]=4 5816 B12R1.1 CSCCOc1ccc(cc1)C 62a_200000210301_100000183172 [0,2,0,0,0,0|2,0,0]=4 5817 B12R1.1 CSCCOc1ccc(cc1)C 7a_100000210336_100000212216 [0,2,0,0,0,0|2,0,0]=4 5818 B12R1.1 CSCCOc1ccc(cc1)Cl 34a_100000210216_100000212216 [0,2,0,0,0,0|2,0,0]=4 5819 B12R1.1 CSCCOc1ccc(cc1)Cl 62a_100000184122_200000210301 [0,2,0,0,0,0|2,0,0]=4 5820 B12R1.1 CSCCOc1ccc(cc1)Cl 62a_200000210301_100000184122 [0,2,0,0,0,0|2,0,0]=4 5821 B12R1.1 CSCCOc1ccc(cc1)Cl 7a_100000210216_100000212216 [0,2,0,0,0,0|2,0,0]=4 5822 B12R1.1 CSCCOc1ccc(cc1)F 34a_100000210339_100000212216 [0,2,0,0,0,0|2,0,0]=4 5823 B12R1.1 CSCCOc1ccc(cc1)F 62a_100000184936_200000210301 [0,2,0,0,0,0|2,0,0]=4 5824 B12R1.1 CSCCOc1ccc(cc1)F 62a_200000210301_100000184936 [0,2,0,0,0,0|2,0,0]=4 5825 B12R1.1 CSCCOc1ccc(cc1)I 34a_100000212066_100000212216 [0,2,0,0,0,0|2,0,0]=4 5826 B12R1.1 CSCCOc1ccc(cc1)I 7a_100000212066_100000212216 [0,2,0,0,0,0|2,0,0]=4 5827 B12R1.1 CSCCOc1ccc(cc1)N 34a_100000185829_100000212216 [0,2,0,0,0,0|2,0,0]=4 5828 B12R1.1 CSCCOc1ccc(cn1)C 34a_100000759353_100000212216 [0,2,0,0,0,0|1,0,0]=3 5829 B12R1.1 CSCCOc1ccc(cn1)Cl 34a_100011215309_100000212216 [0,2,0,0,0,0|1,0,0]=3 5830 B12R1.1 CSCCOc1ccc(cn1)F 34a_100000742473_100000212216 [0,2,0,0,0,0|1,0,0]=3 5831 B12R1.1 CSCCOc1ccc(cn1)N 34a_100000729260_100000212216 [0,2,0,0,0,0|1,0,0]=3 5832 B12R1.1 CSCCOc1cnc(cn1)Br 34a_100011934580_100000212216 [0,2,0,0,0,0|2,0,0]=4 5833 B12R1.1 CSCCOc1cnc(cn1)Cl 34a_100015839800_100000212216 [0,2,0,0,0,0|2,0,0]=4 5834 B12R1.1 CSCCOc1ncc(cn1)F 34a_100011934040_100000212216 [0,2,0,0,0,0|2,0,0]=4 5835 B12R1.1 CSCCSc1ccc(=O)[nH]n1 62a_100000212216_100009820020 [0,2,0,0,0,0|2,0,0]=4 5836 B12R1.1 CSCCSc1ccc(=O)[nH]n1 62a_100009820020_100000751147 [0,2,0,0,0,0|2,0,0]=4 5837 B12R1.1 CSCCSc1ccc(cc1)Br 62a_100000212216_100000752885 [0,2,0,0,0,0|2,0,0]=4 5838 B12R1.1 CSCCSc1ccc(cc1)Br 62a_100000752885_100000751147 [0,2,0,0,0,0|2,0,0]=4 5839 B12R1.1 CSCCSc1ccc(cc1)C 62a_100000186775_100000751147 [0,2,0,0,0,0|2,0,0]=4 5840 B12R1.1 CSCCSc1ccc(cc1)C 62a_100000212216_100000186775 [0,2,0,0,0,0|2,0,0]=4 5841 B12R1.1 CSCCSc1ccc(cc1)Cl 62a_100000212216_100000755918 [0,2,0,0,0,0|2,0,0]=4 5842 B12R1.1 CSCCSc1ccc(cc1)Cl 62a_100000755918_100000751147 [0,2,0,0,0,0|2,0,0]=4 5843 B12R1.1 CSCCSc1ccc(cc1)F 62a_100000211213_100000751147 [0,2,0,0,0,0|2,0,0]=4 5844 B12R1.1 CSCCSc1ccc(cc1)F 62a_100000212216_100000211213 [0,2,0,0,0,0|2,0,0]=4 5845 B12R1.1 CSCCSc1ccc(cc1)N 62a_100000185761_100000751147 [0,2,0,0,0,0|2,0,0]=4 5846 B12R1.1 CSCCSc1ccc(cc1)N 62a_100000212216_100000185761 [0,2,0,0,0,0|2,0,0]=4 5847 B12R1.1 CSCCSc1ccc(cc1)O 62a_100000212216_100000185759 [0,2,0,0,0,0|2,0,0]=4 5848 B12R1.1 CSCCSc1ccc(cn1)Br 62a_100000212216_100000686858 [0,2,0,0,0,0|1,0,0]=3 5849 B12R1.1 CSCCSc1ccc(cn1)Br 62a_100000686858_100000751147 [0,2,0,0,0,0|1,0,0]=3 5850 B12R1.1 CSCCSc1ccc(cn1)C 62a_100000212216_100000754016 [0,2,0,0,0,0|1,0,0]=3 5851 B12R1.1 CSCCSc1ccc(cn1)C 62a_100011192072_100000751147 [0,2,0,0,0,0|1,0,0]=3 5852 B12R1.1 CSCCSc1ccc(cn1)Cl 62a_100000212216_100011356976 [0,2,0,0,0,0|1,0,0]=3 5853 B12R1.1 CSCCSc1ccc(cn1)Cl 62a_100011356976_100000751147 [0,2,0,0,0,0|1,0,0]=3 5854 B12R1.1 CSCCSc1ccc(cn1)F 62a_100000212216_100000744514 [0,2,0,0,0,0|1,0,0]=3 5855 B12R1.1 CSCCSc1ccc(cn1)F 62a_100000744514_100000751147 [0,2,0,0,0,0|1,0,0]=3 5856 B12R1.1 CSCCSc1ccc(cn1)N 62a_100000212216_100000737798 [0,2,0,0,0,0|1,0,0]=3 5857 B12R1.1 CSCCSc1ccc(cn1)N 62a_100000737798_100000751147 [0,2,0,0,0,0|1,0,0]=3 5858 B12R1.1 CSCCSc1ccc(cn1)O 62a_100000212216_100000744096 [0,2,0,0,0,0|1,0,0]=3 5859 B12R1.1 CSCCSc1ccc(cn1)O 62a_100000685995_100000751147 [0,2,0,0,0,0|1,0,0]=3 5860 B12R1.1 CSCCSc1ccc(nn1)C 62a_100000212216_100000744512 [0,2,0,0,0,0|2,0,0]=4 5861 B12R1.1 CSCCSc1ccc(nn1)C 62a_100000744512_100000751147 [0,2,0,0,0,0|2,0,0]=4 5862 B12R1.1 CSCCSc1ccc(nn1)Cl 62a_100000068654_100000751147 [0,2,0,0,0,0|2,0,0]=4 5863 B12R1.1 CSCCSc1ccc(nn1)Cl 62a_100000212216_100000068654 [0,2,0,0,0,0|2,0,0]=4 5864 B12R1.1 CSCCSc1ccc(nn1)N 62a_100000212216_100010219413 [0,2,0,0,0,0|2,0,0]=4 5865 B12R1.1 CSCCSc1ccc(nn1)N 62a_100010219413_100000751147 [0,2,0,0,0,0|2,0,0]=4 5866 B12R1.1 CSCCSc1cnc(cn1)Br 62a_100000212216_100010187541 [0,2,0,0,0,0|2,0,0]=4 5867 B12R1.1 CSCCSc1cnc(cn1)Br 62a_100010187541_100000751147 [0,2,0,0,0,0|2,0,0]=4 5868 B12R1.1 CSCCSc1cnc(cn1)C 62a_100000212216_100011999403 [0,2,0,0,0,0|2,0,0]=4 5869 B12R1.1 CSCCSc1cnc(cn1)C 62a_100011999403_100000751147 [0,2,0,0,0,0|2,0,0]=4 5870 B12R1.1 CSCCSc1cnc(cn1)Cl 62a_100000212216_100010214907 [0,2,0,0,0,0|2,0,0]=4 5871 B12R1.1 CSCCSc1cnc(cn1)Cl 62a_100010214907_100000751147 [0,2,0,0,0,0|2,0,0]=4 5872 B12R1.1 CSCCSc1cnc(cn1)F 62a_100000212216_100009856528 [0,2,0,0,0,0|2,0,0]=4 5873 B12R1.1 CSCCSc1cnc(cn1)F 62a_100009856528_100000751147 [0,2,0,0,0,0|2,0,0]=4 5874 B12R1.1 CSCCSc1cnc(cn1)N 62a_100000212216_100000744751 [0,2,0,0,0,0|2,0,0]=4 5875 B12R1.1 CSCCSc1cnc(cn1)N 62a_100000744751_100000751147 [0,2,0,0,0,0|2,0,0]=4 5876 B12R1.1 CSCCSc1cnc(cn1)O 62a_100000212216_100015839800 [0,2,0,0,0,0|2,0,0]=4 5877 B12R1.1 CSCCSc1cnc(cn1)O 62a_100011934580_100000751147 [0,2,0,0,0,0|2,0,0]=4 5878 B12R1.1 CSCCSc1ncc(cn1)Br 62a_100000212216_100000690281 [0,2,0,0,0,0|2,0,0]=4 5879 B12R1.1 CSCCSc1ncc(cn1)Br 62a_100000690281_100000751147 [0,2,0,0,0,0|2,0,0]=4 5880 B12R1.1 CSCCSc1ncc(cn1)C 62a_100000061069_100000751147 [0,2,0,0,0,0|2,0,0]=4 5881 B12R1.1 CSCCSc1ncc(cn1)C 62a_100000212216_100000061069 [0,2,0,0,0,0|2,0,0]=4 5882 B12R1.1 CSCCSc1ncc(cn1)Cl 62a_100000212216_100011356929 [0,2,0,0,0,0|2,0,0]=4 5883 B12R1.1 CSCCSc1ncc(cn1)Cl 62a_100011356929_100000751147 [0,2,0,0,0,0|2,0,0]=4 5884 B12R1.1 CSCCSc1ncc(cn1)F 62a_100000212216_100000685220 [0,2,0,0,0,0|2,0,0]=4 5885 B12R1.1 CSCCSc1ncc(cn1)F 62a_100000685220_100000751147 [0,2,0,0,0,0|2,0,0]=4 5886 B12R1.1 CSCCSc1ncc(cn1)N 62a_100000068403_100000751147 [0,2,0,0,0,0|2,0,0]=4 5887 B12R1.1 CSCCSc1ncc(cn1)N 62a_100000212216_100000068403 [0,2,0,0,0,0|2,0,0]=4 5888 B12R1.1 CSCCSc1ncc(cn1)O 62a_100000212216_100000092845 [0,2,0,0,0,0|2,0,0]=4 5889 B12R1.1 CSCCSc1ncc(cn1)O 62a_100000730009_100000751147 [0,2,0,0,0,0|2,0,0]=4 5890 B12R1.1 CSCNCc1ccc(cc1)Br 2230a_100000174875_100011218213 [0,2,0,0,0,0|2,0,0]=4 5891 B12R1.1 CSCNCc1ccc(cc1)Br 34a_100000174875_100011218213 [0,2,0,0,0,0|2,0,0]=4 5892 B12R1.1 CSCNCc1ccc(cc1)C 2230a_100000174908_100011218213 [0,2,0,0,0,0|2,0,0]=4 5893 B12R1.1 CSCNCc1ccc(cc1)C 34a_100000174908_100011218213 [0,2,0,0,0,0|2,0,0]=4 5894 B12R1.1 CSCNCc1ccc(cc1)Cl 2230a_100000174871_100011218213 [0,2,0,0,0,0|2,0,0]=4 5895 B12R1.1 CSCNCc1ccc(cc1)Cl 34a_100000174871_100011218213 [0,2,0,0,0,0|2,0,0]=4 5896 B12R1.1 CSCNCc1ccc(cc1)F 2230a_100000174882_100011218213 [0,2,0,0,0,0|2,0,0]=4 5897 B12R1.1 CSCNCc1ccc(cc1)F 34a_100000174882_100011218213 [0,2,0,0,0,0|2,0,0]=4 5898 B12R1.1 CSCNCc1ccc(cc1)I 2230a_100016989417_100011218213 [0,2,0,0,0,0|2,0,0]=4 5899 B12R1.1 CSCNCc1ccc(cc1)I 34a_100016989417_100011218213 [0,2,0,0,0,0|2,0,0]=4 5900 B12R1.1 CSCNCc1ccc(cc1)O 34a_100000185549_100011218213 [0,2,0,0,0,0|2,0,0]=4 5901 B12R1.1 CSCNCc1ccc(cn1)Br 34a_100015188789_100011218213 [0,2,0,0,0,0|1,0,0]=3 5902 B12R1.1 CSCNCc1ccc(cn1)C 34a_100015187455_100011218213 [0,2,0,0,0,0|1,0,0]=3 5903 B12R1.1 CSCNCc1ccc(cn1)Cl 34a_100000697193_100011218213 [0,2,0,0,0,0|1,0,0]=3 5904 B12R1.1 CSCNCc1ccc(cn1)F 34a_100020620131_100011218213 [0,2,0,0,0,0|1,0,0]=3 5905 B12R1.1 CSCNCc1cnc(cn1)C 34a_100132314150_100011218213 [0,2,0,0,0,0|2,0,0]=4 5906 B12R1.1 CSCOCc1ccc(cc1)Br 34a_100000695286_100011218213 [0,2,0,0,0,0|2,0,0]=4 5907 B12R1.1 CSCOCc1ccc(cc1)C 34a_100011215236_100011218213 [0,2,0,0,0,0|2,0,0]=4 5908 B12R1.1 CSCOCc1ccc(cc1)Cl 34a_100000211118_100011218213 [0,2,0,0,0,0|2,0,0]=4 5909 B12R1.1 CSCOCc1ccc(cc1)F 34a_100000210977_100011218213 [0,2,0,0,0,0|2,0,0]=4 5910 B12R1.1 CSCOCc1ccc(cc1)I 34a_100000690907_100011218213 [0,2,0,0,0,0|2,0,0]=4 5911 B12R1.1 CSCOCc1ccc(cc1)N 34a_100011215238_100011218213 [0,2,0,0,0,0|2,0,0]=4 5912 B12R1.1 CSCOCc1ccc(cn1)Br 34a_100000754261_100011218213 [0,2,0,0,0,0|1,0,0]=3 5913 B12R1.1 CSCOCc1ccc(cn1)C 34a_100012001401_100011218213 [0,2,0,0,0,0|1,0,0]=3 5914 B12R1.1 CSCOCc1ccc(cn1)Cl 34a_100000703999_100011218213 [0,2,0,0,0,0|1,0,0]=3 5915 B12R1.1 CSCOCc1ccc(cn1)F 34a_100011999454_100011218213 [0,2,0,0,0,0|1,0,0]=3 5916 B12R1.1 CSCOCc1ccc(cn1)N 34a_100011998161_100011218213 [0,2,0,0,0,0|1,0,0]=3 5917 B12R1.1 CSCOCc1cnc(cn1)C 34a_100011273949_100011218213 [0,2,0,0,0,0|2,0,0]=4 5918 B12R1.1 CSCOCc1cnc(cn1)Cl 34a_100012002382_100011218213 [0,2,0,0,0,0|2,0,0]=4 5919 B12R1.1 CSCSCc1ccc(cc1)Br 62a_100000189115_100011218213 [0,2,0,0,0,0|2,0,0]=4 5920 B12R1.1 CSCSCc1ccc(cc1)Br 62a_100011218213_100000189115 [0,2,0,0,0,0|2,0,0]=4 5921 B12R1.1 CSCSCc1ccc(cc1)C 62a_100000210814_100011218213 [0,2,0,0,0,0|2,0,0]=4 5922 B12R1.1 CSCSCc1ccc(cc1)C 62a_100011218213_100000210814 [0,2,0,0,0,0|2,0,0]=4 5923 B12R1.1 CSCSCc1ccc(cc1)Cl 62a_100000187161_100011218213 [0,2,0,0,0,0|2,0,0]=4 5924 B12R1.1 CSCSCc1ccc(cc1)Cl 62a_100011218213_100000187161 [0,2,0,0,0,0|2,0,0]=4 5925 B12R1.1 CSCSCc1ccc(cc1)F 62a_100000198546_100011218213 [0,2,0,0,0,0|2,0,0]=4 5926 B12R1.1 CSCSCc1ccc(cc1)F 62a_100011218213_100000187164 [0,2,0,0,0,0|2,0,0]=4 5927 B12R1.1 CSCSCc1ccc(cc1)I 62a_100000189116_100011218213 [0,2,0,0,0,0|2,0,0]=4 5928 B12R1.1 CSCSCc1ccc(cc1)I 62a_100011218213_100000189116 [0,2,0,0,0,0|2,0,0]=4 5929 B12R1.1 CSCSCc1ccc(cn1)Br 62a_100000702658_100011218213 [0,2,0,0,0,0|1,0,0]=3 5930 B12R1.1 CSCSCc1ccc(cn1)Br 62a_100011218213_100000702658 [0,2,0,0,0,0|1,0,0]=3 5931 B12R1.1 CSCSCc1ccc(cn1)C 62a_100000691093_100011218213 [0,2,0,0,0,0|1,0,0]=3 5932 B12R1.1 CSCSCc1ccc(cn1)C 62a_100011218213_100000691093 [0,2,0,0,0,0|1,0,0]=3 5933 B12R1.1 CSCSCc1ccc(cn1)Cl 62a_100011218213_100000697101 [0,2,0,0,0,0|1,0,0]=3 5934 B12R1.1 CSCSCc1ccc(cn1)Cl 62a_100012066911_100011218213 [0,2,0,0,0,0|1,0,0]=3 5935 B12R1.1 CSCSCc1ccc(cn1)F 62a_100000703193_100011218213 [0,2,0,0,0,0|1,0,0]=3 5936 B12R1.1 CSCSCc1ccc(cn1)F 62a_100011218213_100000703193 [0,2,0,0,0,0|1,0,0]=3 5937 B12R1.1 CSCSCc1ccc(nn1)Cl 62a_100011218213_100016992710 [0,2,0,0,0,0|2,0,0]=4 5938 B12R1.1 CSCSCc1ccc(nn1)Cl 62a_100016992710_100011218213 [0,2,0,0,0,0|2,0,0]=4 5939 B12R1.1 CSCSCc1cnc(cn1)C 62a_100000752025_100011218213 [0,2,0,0,0,0|2,0,0]=4 5940 B12R1.1 CSCSCc1cnc(cn1)C 62a_100011218213_100000752025 [0,2,0,0,0,0|2,0,0]=4 5941 B12R1.1 CSCSCc1ncc(cn1)Br 62a_100010064664_100011218213 [0,2,0,0,0,0|2,0,0]=4 5942 B12R1.1 CSCSCc1ncc(cn1)Br 62a_100011218213_100010064664 [0,2,0,0,0,0|2,0,0]=4 5943 B12R1.1 CSCSCc1ncc(cn1)C 62a_100000685645_100011218213 [0,2,0,0,0,0|2,0,0]=4 5944 B12R1.1 CSCSCc1ncc(cn1)C 62a_100011218213_100000685645 [0,2,0,0,0,0|2,0,0]=4 5945 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 2230a_100011236272_200025704644 [0,2,0,0,0,0|1,0,0]=3 5946 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 34a_100011236272_200025704644 [0,2,0,0,0,0|1,0,0]=3 5947 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 34a_100000189427_200025704644 [0,2,0,0,0,0|2,0,0]=4 5948 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 7a_100000189427_200025704644 [0,2,0,0,0,0|2,0,0]=4 5949 B12R1.1 Cc1ccc(cc1)CCNCF 34a_100000705350_100015361967 [0,2,0,0,0,0|1,0,0]=3 5950 B12R1.1 Cc1ccc(cc1)CCOCF 34a_100000756670_100015361967 [0,2,0,0,0,0|2,0,0]=4 5951 B12R1.1 Cc1ccc(cc1)CCOCF 7a_100000756670_100015361967 [0,2,0,0,0,0|2,0,0]=4 5952 B12R1.1 Cc1ccc(cc1)CCSCF 62a_100011713686_100015361967 [0,2,0,0,0,0|2,0,0]=4 5953 B12R1.1 Cc1ccc(cc1)CCSCF 62a_100015361967_100011713686 [0,2,0,0,0,0|2,0,0]=4 5954 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 2230a_100020666663_200025704644 [0,2,0,0,0,0|1,0,0]=3 5955 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 34a_100020666663_200025704644 [0,2,0,0,0,0|1,0,0]=3 5956 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 34a_100011219107_200025704644 [0,2,0,0,0,0|2,0,0]=4 5957 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 7a_100011219107_200025704644 [0,2,0,0,0,0|2,0,0]=4 5958 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_100000183172_200025704644 [0,2,0,0,0,0|2,0,0]=4 5959 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_200025704644_100000183172 [0,2,0,0,0,0|2,0,0]=4 5960 B12R1.1 Cc1ccc(cc1)SCCN[13CH3] 2230a_100000739754_200025704644 [0,2,0,0,0,0|1,0,0]=3 5961 B12R1.1 Cc1ccc(cc1)SCCO[13CH3] 34a_200000230582_200025704644 [0,2,0,0,0,0|2,0,0]=4 5962 B12R1.1 Cc1ccc(cc1)SCCO[13CH3] 7a_200000230582_200025704644 [0,2,0,0,0,0|2,0,0]=4 5963 B12R1.1 Cc1ccc(nc1)CNCC=O 34a_100015187455_200009817547 [0,2,0,0,0,0|2,0,0]=4 5964 B12R1.1 Cc1ccc(nc1)CNCCF 34a_100000724931_100000691093 [0,2,0,0,0,0|2,0,0]=4 5965 B12R1.1 Cc1ccc(nc1)CNCCF 34a_100015187455_100011217306 [0,2,0,0,0,0|2,0,0]=4 5966 B12R1.1 Cc1ccc(nc1)CNCCO 207a_100000210304_100000050478 [0,2,0,0,0,0|2,0,0]=4 5967 B12R1.1 Cc1ccc(nc1)CNCCO 2230a_100016997473_100000691093 [0,2,0,0,0,0|2,0,0]=4 5968 B12R1.1 Cc1ccc(nc1)CNCCO 270004a_100000210304_100000050478 [0,2,0,0,0,0|2,0,0]=4 5969 B12R1.1 Cc1ccc(nc1)CNCCO 34a_100015187455_100000211926 [0,2,0,0,0,0|2,0,0]=4 5970 B12R1.1 Cc1ccc(nc1)CNCCO 34a_100016990907_100000691093 [0,2,0,0,0,0|2,0,0]=4 5971 B12R1.1 Cc1ccc(nc1)COCC=O 34a_100012001401_200009817547 [0,2,0,0,0,0|2,0,0]=4 5972 B12R1.1 Cc1ccc(nc1)COCCBr 34a_100000211926_100000691093 [0,2,0,0,0,0|2,0,0]=4 5973 B12R1.1 Cc1ccc(nc1)COCCF 34a_100012001401_100011217306 [0,2,0,0,0,0|2,0,0]=4 5974 B12R1.1 Cc1ccc(nc1)COCCN 34a_100000210304_100000691093 [0,2,0,0,0,0|2,0,0]=4 5975 B12R1.1 Cc1ccc(nc1)COCCO 34a_100012001401_100000211926 [0,2,0,0,0,0|2,0,0]=4 5976 B12R1.1 Cc1ccc(nc1)CSCC#N 62a_100000691093_100011215382 [0,2,0,0,0,0|2,0,0]=4 5977 B12R1.1 Cc1ccc(nc1)CSCC#N 62a_100011215382_100000691093 [0,2,0,0,0,0|2,0,0]=4 5978 B12R1.1 Cc1ccc(nc1)CSCC=O 62a_100000691093_200015260668 [0,2,0,0,0,0|2,0,0]=4 5979 B12R1.1 Cc1ccc(nc1)CSCC=O 62a_200015260668_100000691093 [0,2,0,0,0,0|2,0,0]=4 5980 B12R1.1 Cc1ccc(nc1)CSCCF 62a_100000691093_100011217306 [0,2,0,0,0,0|2,0,0]=4 5981 B12R1.1 Cc1ccc(nc1)CSCCF 62a_100011217306_100000691093 [0,2,0,0,0,0|2,0,0]=4 5982 B12R1.1 Cc1ccc(nc1)CSCCO 62a_100000211926_100000691093 [0,2,0,0,0,0|2,0,0]=4 5983 B12R1.1 Cc1ccc(nc1)CSCCO 62a_100000691093_100000211926 [0,2,0,0,0,0|2,0,0]=4 5984 B12R1.1 Cc1ccc(nc1)OCCCF 34a_100000759353_100011934791 [0,2,0,0,0,0|2,0,0]=4 5985 B12R1.1 Cc1ccc(nc1)OCCCO 34a_100000759353_100000230001 [0,2,0,0,0,0|2,0,0]=4 5986 B12R1.1 Cc1ccc(nc1)SCCC#N 62a_100011192072_100011215226 [0,2,0,0,0,0|2,0,0]=4 5987 B12R1.1 Cc1ccc(nc1)SCCC#N 62a_100011215226_100000754016 [0,2,0,0,0,0|2,0,0]=4 5988 B12R1.1 Cc1ccc(nc1)SCCCF 62a_100011192072_100011934791 [0,2,0,0,0,0|2,0,0]=4 5989 B12R1.1 Cc1ccc(nc1)SCCCF 62a_100011934791_100000754016 [0,2,0,0,0,0|2,0,0]=4 5990 B12R1.1 Cc1ccc(nc1)SCCCO 62a_100011192072_100011215043 [0,2,0,0,0,0|2,0,0]=4 5991 B12R1.1 Cc1ccc(nc1)SCCCO 62a_100011215043_100000754016 [0,2,0,0,0,0|2,0,0]=4 5992 B12R1.1 Clc1ccc(nc1)COCCBr 34a_100000211926_100012066911 [0,2,0,0,0,0|2,0,0]=4 5993 B12R1.1 FCCCNc1ccc(cn1)Br 27a_100015189416_100000686858 [0,2,0,0,0,0|2,0,0]=4 5994 B12R1.1 FCCCOc1ccc(cn1)Cl 34a_100011215309_100011934791 [0,2,0,0,0,0|2,0,0]=4 5995 B12R1.1 FCCCOc1ccc(cn1)F 34a_100000742473_100011934791 [0,2,0,0,0,0|2,0,0]=4 5996 B12R1.1 FCCCSc1ccc(cn1)Br 62a_100000686858_100011934791 [0,2,0,0,0,0|2,0,0]=4 5997 B12R1.1 FCCCSc1ccc(cn1)Br 62a_100011934791_100000686858 [0,2,0,0,0,0|2,0,0]=4 5998 B12R1.1 FCCCSc1ccc(cn1)Cl 62a_100011356976_100011934791 [0,2,0,0,0,0|2,0,0]=4 5999 B12R1.1 FCCCSc1ccc(cn1)Cl 62a_100011934791_100011356976 [0,2,0,0,0,0|2,0,0]=4 6000 B12R1.1 FCCCSc1ccc(cn1)F 62a_100000744514_100011934791 [0,2,0,0,0,0|2,0,0]=4 6001 B12R1.1 FCCCSc1ccc(cn1)F 62a_100011934791_100000744514 [0,2,0,0,0,0|2,0,0]=4 6002 B12R1.1 FCCNCc1ccc(cn1)Br 34a_100000724931_100000702658 [0,2,0,0,0,0|2,0,0]=4 6003 B12R1.1 FCCNCc1ccc(cn1)Br 34a_100015188789_100011217306 [0,2,0,0,0,0|2,0,0]=4 6004 B12R1.1 FCCNCc1ccc(cn1)Cl 34a_100000697193_100011217306 [0,2,0,0,0,0|2,0,0]=4 6005 B12R1.1 FCCNCc1ccc(cn1)Cl 34a_100000724931_100012066911 [0,2,0,0,0,0|2,0,0]=4 6006 B12R1.1 FCCNCc1ccc(cn1)F 34a_100000724931_100000703193 [0,2,0,0,0,0|2,0,0]=4 6007 B12R1.1 FCCNCc1ccc(cn1)F 34a_100020620131_100011217306 [0,2,0,0,0,0|2,0,0]=4 6008 B12R1.1 FCCOCc1ccc(cn1)Br 34a_100000754261_100011217306 [0,2,0,0,0,0|2,0,0]=4 6009 B12R1.1 FCCOCc1ccc(cn1)Cl 34a_100000703999_100011217306 [0,2,0,0,0,0|2,0,0]=4 6010 B12R1.1 FCCOCc1ccc(cn1)F 34a_100011999454_100011217306 [0,2,0,0,0,0|2,0,0]=4 6011 B12R1.1 FCCSCc1ccc(cn1)Br 62a_100000702658_100011217306 [0,2,0,0,0,0|2,0,0]=4 6012 B12R1.1 FCCSCc1ccc(cn1)Br 62a_100011217306_100000702658 [0,2,0,0,0,0|2,0,0]=4 6013 B12R1.1 FCCSCc1ccc(cn1)Cl 62a_100011217306_100000697101 [0,2,0,0,0,0|2,0,0]=4 6014 B12R1.1 FCCSCc1ccc(cn1)Cl 62a_100012066911_100011217306 [0,2,0,0,0,0|2,0,0]=4 6015 B12R1.1 FCCSCc1ccc(cn1)F 62a_100000703193_100011217306 [0,2,0,0,0,0|2,0,0]=4 6016 B12R1.1 FCCSCc1ccc(cn1)F 62a_100011217306_100000703193 [0,2,0,0,0,0|2,0,0]=4 6017 B12R1.1 FCNCCc1ccc(cc1)Br 34a_100000755846_100015361967 [0,2,0,0,0,0|1,0,0]=3 6018 B12R1.1 FCNCCc1ccc(cc1)Cl 34a_100000185265_100015361967 [0,2,0,0,0,0|1,0,0]=3 6019 B12R1.1 FCNCCc1ccc(cc1)F 34a_100000199005_100015361967 [0,2,0,0,0,0|1,0,0]=3 6020 B12R1.1 FCOCCc1ccc(cc1)Br 34a_100000766406_100015361967 [0,2,0,0,0,0|2,0,0]=4 6021 B12R1.1 FCOCCc1ccc(cc1)Br 7a_100000766406_100015361967 [0,2,0,0,0,0|2,0,0]=4 6022 B12R1.1 FCOCCc1ccc(cc1)Cl 34a_100011219627_100015361967 [0,2,0,0,0,0|2,0,0]=4 6023 B12R1.1 FCOCCc1ccc(cc1)Cl 7a_100011219627_100015361967 [0,2,0,0,0,0|2,0,0]=4 6024 B12R1.1 FCOCCc1ccc(cc1)F 34a_100000754732_100015361967 [0,2,0,0,0,0|2,0,0]=4 6025 B12R1.1 FCOCCc1ccc(cc1)F 7a_100000754732_100015361967 [0,2,0,0,0,0|2,0,0]=4 6026 B12R1.1 FCOCCc1ccc(cc1)I 34a_100012291149_100015361967 [0,2,0,0,0,0|2,0,0]=4 6027 B12R1.1 FCOCCc1ccc(cc1)I 7a_100012291149_100015361967 [0,2,0,0,0,0|2,0,0]=4 6028 B12R1.1 FCOCCc1ccc(cn1)Br 34a_100012357577_100015361967 [0,2,0,0,0,0|1,0,0]=3 6029 B12R1.1 FCSCCc1ccc(cc1)Br 62a_100011740612_100015361967 [0,2,0,0,0,0|2,0,0]=4 6030 B12R1.1 FCSCCc1ccc(cc1)Br 62a_100015361967_100011740612 [0,2,0,0,0,0|2,0,0]=4 6031 B12R1.1 FCSCCc1ccc(cc1)Cl 62a_100011713675_100015361967 [0,2,0,0,0,0|2,0,0]=4 6032 B12R1.1 FCSCCc1ccc(cc1)Cl 62a_100015361967_100011713675 [0,2,0,0,0,0|2,0,0]=4 6033 B12R1.1 FCSCCc1ccc(cc1)F 62a_100011217392_100015361967 [0,2,0,0,0,0|2,0,0]=4 6034 B12R1.1 FCSCCc1ccc(cc1)F 62a_100015361967_100011217392 [0,2,0,0,0,0|2,0,0]=4 6035 B12R1.1 Fc1ccc(nc1)COCCBr 34a_100000211926_100000703193 [0,2,0,0,0,0|2,0,0]=4 6036 B12R1.1 N#CCCNc1ccc(cn1)Br 27a_100000720768_100000686858 [0,2,0,0,0,0|2,0,0]=4 6037 B12R1.1 N#CCCSc1ccc(cn1)Br 62a_100000686858_100011215226 [0,2,0,0,0,0|2,0,0]=4 6038 B12R1.1 N#CCCSc1ccc(cn1)Br 62a_100011215226_100000686858 [0,2,0,0,0,0|2,0,0]=4 6039 B12R1.1 N#CCCSc1ccc(cn1)Cl 62a_100011215226_100011356976 [0,2,0,0,0,0|2,0,0]=4 6040 B12R1.1 N#CCCSc1ccc(cn1)Cl 62a_100011356976_100011215226 [0,2,0,0,0,0|2,0,0]=4 6041 B12R1.1 N#CCCSc1ccc(cn1)F 62a_100000744514_100011215226 [0,2,0,0,0,0|2,0,0]=4 6042 B12R1.1 N#CCCSc1ccc(cn1)F 62a_100011215226_100000744514 [0,2,0,0,0,0|2,0,0]=4 6043 B12R1.1 N#CCCSc1ccc(cn1)N 62a_100000737798_100011215226 [0,2,0,0,0,0|2,0,0]=4 6044 B12R1.1 N#CCCSc1ccc(cn1)N 62a_100011215226_100000737798 [0,2,0,0,0,0|2,0,0]=4 6045 B12R1.1 N#CCCSc1ccc(cn1)O 62a_100000685995_100011215226 [0,2,0,0,0,0|2,0,0]=4 6046 B12R1.1 N#CCCSc1ccc(cn1)O 62a_100011215226_100000744096 [0,2,0,0,0,0|2,0,0]=4 6047 B12R1.1 N#CCSCc1ccc(cn1)Br 62a_100000702658_100011215382 [0,2,0,0,0,0|2,0,0]=4 6048 B12R1.1 N#CCSCc1ccc(cn1)Br 62a_100011215382_100000702658 [0,2,0,0,0,0|2,0,0]=4 6049 B12R1.1 N#CCSCc1ccc(cn1)Cl 62a_100011215382_100000697101 [0,2,0,0,0,0|2,0,0]=4 6050 B12R1.1 N#CCSCc1ccc(cn1)Cl 62a_100012066911_100011215382 [0,2,0,0,0,0|2,0,0]=4 6051 B12R1.1 N#CCSCc1ccc(cn1)F 62a_100000703193_100011215382 [0,2,0,0,0,0|2,0,0]=4 6052 B12R1.1 N#CCSCc1ccc(cn1)F 62a_100011215382_100000703193 [0,2,0,0,0,0|2,0,0]=4 6053 B12R1.1 NCCOCc1ccc(cn1)Br 34a_100000210304_100000702658 [0,2,0,0,0,0|2,0,0]=4 6054 B12R1.1 NCCOCc1ccc(cn1)Cl 34a_100000210304_100012066911 [0,2,0,0,0,0|2,0,0]=4 6055 B12R1.1 NCCOCc1ccc(cn1)F 34a_100000210304_100000703193 [0,2,0,0,0,0|2,0,0]=4 6056 B12R1.1 Nc1ccc(cc1)CCOCF 34a_100011204434_100015361967 [0,2,0,0,0,0|2,0,0]=4 6057 B12R1.1 Nc1ccc(nc1)COCC=O 34a_100011998161_200009817547 [0,2,0,0,0,0|2,0,0]=4 6058 B12R1.1 Nc1ccc(nc1)COCCF 34a_100011998161_100011217306 [0,2,0,0,0,0|2,0,0]=4 6059 B12R1.1 Nc1ccc(nc1)COCCO 34a_100011998161_100000211926 [0,2,0,0,0,0|2,0,0]=4 6060 B12R1.1 Nc1ccc(nc1)OCCCF 34a_100000729260_100011934791 [0,2,0,0,0,0|2,0,0]=4 6061 B12R1.1 Nc1ccc(nc1)OCCCO 34a_100000729260_100000230001 [0,2,0,0,0,0|2,0,0]=4 6062 B12R1.1 Nc1ccc(nc1)SCCCF 62a_100000737798_100011934791 [0,2,0,0,0,0|2,0,0]=4 6063 B12R1.1 Nc1ccc(nc1)SCCCF 62a_100011934791_100000737798 [0,2,0,0,0,0|2,0,0]=4 6064 B12R1.1 Nc1ccc(nc1)SCCCO 62a_100000737798_100011215043 [0,2,0,0,0,0|2,0,0]=4 6065 B12R1.1 Nc1ccc(nc1)SCCCO 62a_100011215043_100000737798 [0,2,0,0,0,0|2,0,0]=4 6066 B12R1.1 O=CCNCc1ccc(cn1)Br 34a_100015188789_200009817547 [0,2,0,0,0,0|2,0,0]=4 6067 B12R1.1 O=CCNCc1ccc(cn1)Cl 34a_100000697193_200009817547 [0,2,0,0,0,0|2,0,0]=4 6068 B12R1.1 O=CCNCc1ccc(cn1)F 34a_100020620131_200009817547 [0,2,0,0,0,0|2,0,0]=4 6069 B12R1.1 O=CCOCc1ccc(cn1)Br 34a_100000754261_200009817547 [0,2,0,0,0,0|2,0,0]=4 6070 B12R1.1 O=CCOCc1ccc(cn1)Cl 34a_100000703999_200009817547 [0,2,0,0,0,0|2,0,0]=4 6071 B12R1.1 O=CCOCc1ccc(cn1)F 34a_100011999454_200009817547 [0,2,0,0,0,0|2,0,0]=4 6072 B12R1.1 O=CCSCc1ccc(cn1)Br 62a_100000702658_200015260668 [0,2,0,0,0,0|2,0,0]=4 6073 B12R1.1 O=CCSCc1ccc(cn1)Br 62a_200015260668_100000702658 [0,2,0,0,0,0|2,0,0]=4 6074 B12R1.1 O=CCSCc1ccc(cn1)Cl 62a_100012066911_200015260668 [0,2,0,0,0,0|2,0,0]=4 6075 B12R1.1 O=CCSCc1ccc(cn1)Cl 62a_200015260668_100000697101 [0,2,0,0,0,0|2,0,0]=4 6076 B12R1.1 O=CCSCc1ccc(cn1)F 62a_100000703193_200015260668 [0,2,0,0,0,0|2,0,0]=4 6077 B12R1.1 O=CCSCc1ccc(cn1)F 62a_200015260668_100000703193 [0,2,0,0,0,0|2,0,0]=4 6078 B12R1.1 O=CNCCc1ccc(cc1)O 271570a_203496583355_200012351260 [0,2,0,0,0,0|1,0,1]=4 6079 B12R1.1 OCCCNc1ccc(cn1)Br 27a_100000182051_100000686858 [0,2,0,0,0,0|2,0,0]=4 6080 B12R1.1 OCCCOc1ccc(cn1)Cl 34a_100011215309_100000230001 [0,2,0,0,0,0|2,0,0]=4 6081 B12R1.1 OCCCOc1ccc(cn1)F 34a_100000742473_100000230001 [0,2,0,0,0,0|2,0,0]=4 6082 B12R1.1 OCCCSc1ccc(cn1)Br 62a_100000686858_100011215043 [0,2,0,0,0,0|2,0,0]=4 6083 B12R1.1 OCCCSc1ccc(cn1)Br 62a_100011215043_100000686858 [0,2,0,0,0,0|2,0,0]=4 6084 B12R1.1 OCCCSc1ccc(cn1)Cl 62a_100011215043_100011356976 [0,2,0,0,0,0|2,0,0]=4 6085 B12R1.1 OCCCSc1ccc(cn1)Cl 62a_100011356976_100011215043 [0,2,0,0,0,0|2,0,0]=4 6086 B12R1.1 OCCCSc1ccc(cn1)F 62a_100000744514_100011215043 [0,2,0,0,0,0|2,0,0]=4 6087 B12R1.1 OCCCSc1ccc(cn1)F 62a_100011215043_100000744514 [0,2,0,0,0,0|2,0,0]=4 6088 B12R1.1 OCCCSc1ccc(cn1)O 62a_100000685995_100011215043 [0,2,0,0,0,0|2,0,0]=4 6089 B12R1.1 OCCCSc1ccc(cn1)O 62a_100011215043_100000744096 [0,2,0,0,0,0|2,0,0]=4 6090 B12R1.1 OCCNCc1ccc(cn1)Br 207a_100000210304_100000754260 [0,2,0,0,0,0|2,0,0]=4 6091 B12R1.1 OCCNCc1ccc(cn1)Br 2230a_100016997473_100000702658 [0,2,0,0,0,0|2,0,0]=4 6092 B12R1.1 OCCNCc1ccc(cn1)Br 270004a_100000210304_100000754260 [0,2,0,0,0,0|2,0,0]=4 6093 B12R1.1 OCCNCc1ccc(cn1)Br 34a_100015188789_100000211926 [0,2,0,0,0,0|2,0,0]=4 6094 B12R1.1 OCCNCc1ccc(cn1)Br 34a_100016990907_100000702658 [0,2,0,0,0,0|2,0,0]=4 6095 B12R1.1 OCCNCc1ccc(cn1)Cl 207a_100000210304_100011361569 [0,2,0,0,0,0|2,0,0]=4 6096 B12R1.1 OCCNCc1ccc(cn1)Cl 2230a_100016997473_100012066911 [0,2,0,0,0,0|2,0,0]=4 6097 B12R1.1 OCCNCc1ccc(cn1)Cl 270004a_100000210304_100011361569 [0,2,0,0,0,0|2,0,0]=4 6098 B12R1.1 OCCNCc1ccc(cn1)Cl 34a_100000697193_100000211926 [0,2,0,0,0,0|2,0,0]=4 6099 B12R1.1 OCCNCc1ccc(cn1)Cl 34a_100016990907_100012066911 [0,2,0,0,0,0|2,0,0]=4 6100 B12R1.1 OCCNCc1ccc(cn1)F 207a_100000210304_100011934744 [0,2,0,0,0,0|2,0,0]=4 6101 B12R1.1 OCCNCc1ccc(cn1)F 2230a_100016997473_100000703193 [0,2,0,0,0,0|2,0,0]=4 6102 B12R1.1 OCCNCc1ccc(cn1)F 270004a_100000210304_100011934744 [0,2,0,0,0,0|2,0,0]=4 6103 B12R1.1 OCCNCc1ccc(cn1)F 34a_100016990907_100000703193 [0,2,0,0,0,0|2,0,0]=4 6104 B12R1.1 OCCNCc1ccc(cn1)F 34a_100020620131_100000211926 [0,2,0,0,0,0|2,0,0]=4 6105 B12R1.1 OCCOCc1ccc(cn1)Br 34a_100000754261_100000211926 [0,2,0,0,0,0|2,0,0]=4 6106 B12R1.1 OCCOCc1ccc(cn1)Cl 34a_100000703999_100000211926 [0,2,0,0,0,0|2,0,0]=4 6107 B12R1.1 OCCOCc1ccc(cn1)F 34a_100011999454_100000211926 [0,2,0,0,0,0|2,0,0]=4 6108 B12R1.1 OCCSCc1ccc(cn1)Br 62a_100000211926_100000702658 [0,2,0,0,0,0|2,0,0]=4 6109 B12R1.1 OCCSCc1ccc(cn1)Br 62a_100000702658_100000211926 [0,2,0,0,0,0|2,0,0]=4 6110 B12R1.1 OCCSCc1ccc(cn1)Cl 62a_100000211926_100000697101 [0,2,0,0,0,0|2,0,0]=4 6111 B12R1.1 OCCSCc1ccc(cn1)Cl 62a_100012066911_100000211926 [0,2,0,0,0,0|2,0,0]=4 6112 B12R1.1 OCCSCc1ccc(cn1)F 62a_100000211926_100000703193 [0,2,0,0,0,0|2,0,0]=4 6113 B12R1.1 OCCSCc1ccc(cn1)F 62a_100000703193_100000211926 [0,2,0,0,0,0|2,0,0]=4 6114 B12R1.1 Oc1ccc(cc1)CCNCF 34a_100000743037_100015361967 [0,2,0,0,0,0|1,0,0]=3 6115 B12R1.1 Oc1ccc(cc1)CCSCF 62a_100009816426_100015361967 [0,2,0,0,0,0|2,0,0]=4 6116 B12R1.1 Oc1ccc(cc1)CCSCF 62a_100015361967_100009816426 [0,2,0,0,0,0|2,0,0]=4 6117 B12R1.1 Oc1ccc(nc1)SCCCF 62a_100000685995_100011934791 [0,2,0,0,0,0|2,0,0]=4 6118 B12R1.1 Oc1ccc(nc1)SCCCF 62a_100011934791_100000744096 [0,2,0,0,0,0|2,0,0]=4 6119 B12R1.1 [13CH3]NCC#Cc1ccc(cc1)Cl 2230a_100011352944_200025704644 [0,2,0,0,0,0|1,0,1]=4 6120 B12R1.1 [13CH3]NCC#Cc1ccc(cc1)Cl 34a_100011352944_200025704644 [0,2,0,0,0,0|1,0,1]=4 6121 B12R1.1 [13CH3]NCCCc1ccc(cc1)Br 2230a_100011297623_200025704644 [0,2,0,0,0,0|1,0,0]=3 6122 B12R1.1 [13CH3]NCCCc1ccc(cc1)Br 34a_100011297623_200025704644 [0,2,0,0,0,0|1,0,0]=3 6123 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 2230a_100000748451_200025704644 [0,2,0,0,0,0|1,0,0]=3 6124 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 34a_100000748451_200025704644 [0,2,0,0,0,0|1,0,0]=3 6125 B12R1.1 [13CH3]NCCCc1ccc(cc1)F 2230a_100025745824_200025704644 [0,2,0,0,0,0|1,0,0]=3 6126 B12R1.1 [13CH3]NCCCc1ccc(cc1)F 34a_100025745824_200025704644 [0,2,0,0,0,0|1,0,0]=3 6127 B12R1.1 [13CH3]NCCOc1ccc(cc1)Br 2230a_100000746992_200025704644 [0,2,0,0,0,0|1,0,0]=3 6128 B12R1.1 [13CH3]NCCOc1ccc(cc1)Br 34a_100000746992_200025704644 [0,2,0,0,0,0|1,0,0]=3 6129 B12R1.1 [13CH3]NCCOc1ccc(cc1)Cl 2230a_100000697975_200025704644 [0,2,0,0,0,0|1,0,0]=3 6130 B12R1.1 [13CH3]NCCOc1ccc(cc1)Cl 34a_100000697975_200025704644 [0,2,0,0,0,0|1,0,0]=3 6131 B12R1.1 [13CH3]NCCOc1ccc(cc1)F 2230a_100000737420_200025704644 [0,2,0,0,0,0|1,0,0]=3 6132 B12R1.1 [13CH3]NCCOc1ccc(cc1)F 34a_100000737420_200025704644 [0,2,0,0,0,0|1,0,0]=3 6133 B12R1.1 [13CH3]NCCSc1ccc(cc1)Br 2230a_100000184645_200025704644 [0,2,0,0,0,0|1,0,0]=3 6134 B12R1.1 [13CH3]NCCSc1ccc(cc1)Cl 2230a_100000174974_200025704644 [0,2,0,0,0,0|1,0,0]=3 6135 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 34a_100011709247_200025704644 [0,2,0,0,0,0|2,0,0]=4 6136 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 7a_100011709247_200025704644 [0,2,0,0,0,0|2,0,0]=4 6137 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 34a_100011217485_200025704644 [0,2,0,0,0,0|2,0,0]=4 6138 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 7a_100011217485_200025704644 [0,2,0,0,0,0|2,0,0]=4 6139 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 34a_100000757351_200025704644 [0,2,0,0,0,0|2,0,0]=4 6140 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 7a_100000757351_200025704644 [0,2,0,0,0,0|2,0,0]=4 6141 B12R1.1 [13CH3]OCCNc1ccc(nn1)Cl 34a_100000767036_200025704644 [0,2,0,0,0,0|2,0,0]=4 6142 B12R1.1 [13CH3]OCCOc1ccc(cc1)Br 34a_100000686261_200025704644 [0,2,0,0,0,0|2,0,0]=4 6143 B12R1.1 [13CH3]OCCOc1ccc(cc1)Br 7a_100000686261_200025704644 [0,2,0,0,0,0|2,0,0]=4 6144 B12R1.1 [13CH3]OCCOc1ccc(cc1)Cl 34a_100000237962_200025704644 [0,2,0,0,0,0|2,0,0]=4 6145 B12R1.1 [13CH3]OCCOc1ccc(cc1)Cl 7a_100000237962_200025704644 [0,2,0,0,0,0|2,0,0]=4 6146 B12R1.1 [13CH3]OCCOc1ccc(cc1)N 34a_100000754363_200025704644 [0,2,0,0,0,0|2,0,0]=4 6147 B12R1.1 [13CH3]OCCOc1ccc(cn1)N 34a_100102662783_200025704644 [0,2,0,0,0,0|1,0,0]=3 6148 B12R1.1 [13CH3]OCCSc1ccc(cc1)Cl 34a_100000230527_200025704644 [0,2,0,0,0,0|2,0,0]=4 6149 B12R1.1 [13CH3]OCCSc1ccc(cc1)Cl 7a_100000230527_200025704644 [0,2,0,0,0,0|2,0,0]=4 6150 B12R1.1 [13CH3]OCCSc1ccc(cc1)F 34a_200000230679_200025704644 [0,2,0,0,0,0|2,0,0]=4 6151 B12R1.1 [13CH3]OCCSc1ccc(cc1)F 7a_200000230679_200025704644 [0,2,0,0,0,0|2,0,0]=4 6152 B12R1.1 [13CH3]OCCSc1ccc(nn1)Cl 7a_100000215309_200025704644 [0,2,0,0,0,0|2,0,0]=4 6153 B12R1.1 [13CH3]SCCCc1ccc(cc1)Br 62a_100011713682_200025704644 [0,2,0,0,0,0|2,0,0]=4 6154 B12R1.1 [13CH3]SCCCc1ccc(cc1)Br 62a_200025704644_100011713682 [0,2,0,0,0,0|2,0,0]=4 6155 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_100000759440_200025704644 [0,2,0,0,0,0|2,0,0]=4 6156 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_200025704644_100000759440 [0,2,0,0,0,0|2,0,0]=4 6157 B12R1.1 [13CH3]SCCCc1ccc(cc1)F 62a_200011713563_200025704644 [0,2,0,0,0,0|2,0,0]=4 6158 B12R1.1 [13CH3]SCCCc1ccc(cc1)F 62a_200025704644_200011713563 [0,2,0,0,0,0|2,0,0]=4 6159 B12R1.1 [13CH3]SCCOc1ccc(cc1)Br 62a_100000183278_200025704644 [0,2,0,0,0,0|2,0,0]=4 6160 B12R1.1 [13CH3]SCCOc1ccc(cc1)Br 62a_200025704644_100000183278 [0,2,0,0,0,0|2,0,0]=4 6161 B12R1.1 [13CH3]SCCOc1ccc(cc1)Cl 62a_100000184122_200025704644 [0,2,0,0,0,0|2,0,0]=4 6162 B12R1.1 [13CH3]SCCOc1ccc(cc1)Cl 62a_200025704644_100000184122 [0,2,0,0,0,0|2,0,0]=4 6163 B12R1.1 [13CH3]SCCOc1ccc(cc1)F 62a_100000184936_200025704644 [0,2,0,0,0,0|2,0,0]=4 6164 B12R1.1 [13CH3]SCCOc1ccc(cc1)F 62a_200025704644_100000184936 [0,2,0,0,0,0|2,0,0]=4 6165 B12R1.16 CC(CN[13CH3])c1ccc(cc1)O 34a_200015188644_200025704644 [0,2,0,0,0,0|1,0,0]=3 6166 B12R1.16 CCCC(O)c1ccc(cc1)O 271570a_203496583355_100011350873 [0,2,0,0,0,0|2,0,0]=4 6167 B12R1.16 CCCN(C)c1ccc(cn1)Br 27a_100000747261_100000686858 [0,2,0,0,0,0|2,0,0]=4 6168 B12R1.16 CCNC(C)c1ccc(cn1)Br 2230a_100000723930_100000210202 [0,2,0,0,0,0|2,0,0]=4 6169 B12R1.16 CCNC(C)c1ccc(cn1)Br 269862a_100015525214_100000686046 [0,2,0,0,0,0|2,0,0]=4 6170 B12R1.16 CCNC(C)c1ccc(cn1)Br 270004a_100015525214_100000686046 [0,2,0,0,0,0|2,0,0]=4 6171 B12R1.16 CCNC(C)c1ccc(cn1)C 269862a_100015525214_100000084104 [0,2,0,0,0,0|2,0,0]=4 6172 B12R1.16 CCNC(C)c1ccc(cn1)C 270004a_100015525214_100000084104 [0,2,0,0,0,0|2,0,0]=4 6173 B12R1.16 CCNC(C)c1ccc(cn1)Cl 269862a_100015525214_100000692432 [0,2,0,0,0,0|2,0,0]=4 6174 B12R1.16 CCNC(C)c1ccc(cn1)Cl 270004a_100015525214_100000692432 [0,2,0,0,0,0|2,0,0]=4 6175 B12R1.16 CCNC(C)c1ccc(cn1)F 269862a_100015525214_100102946652 [0,2,0,0,0,0|2,0,0]=4 6176 B12R1.16 CCNC(C)c1ccc(cn1)F 270004a_100015525214_100102946652 [0,2,0,0,0,0|2,0,0]=4 6177 B12R1.16 CCOC(C)c1ccc(cn1)Br 34a_100012353650_100000210202 [0,2,0,0,0,0|2,0,0]=4 6178 B12R1.16 CCOC(C)c1ccc(cn1)Br 7a_100012353650_100000210202 [0,2,0,0,0,0|2,0,0]=4 6179 B12R1.16 CNCC(=O)c1ccc(cc1)Br 34a_100102657272_100000188085 [0,2,0,0,0,0|1,0,1]=4 6180 B12R1.16 CNCC(=O)c1ccc(cc1)Br 7a_106832991635_100000188085 [0,2,0,0,0,0|1,0,1]=4 6181 B12R1.16 CNCC(=O)c1ccc(cc1)C 2230a_106832991635_100000211441 [0,2,0,0,0,0|1,0,1]=4 6182 B12R1.16 CNCC(=O)c1ccc(cc1)C 34a_100102657272_100000211441 [0,2,0,0,0,0|1,0,1]=4 6183 B12R1.16 CNCC(=O)c1ccc(cc1)C 7a_106832991635_100000211441 [0,2,0,0,0,0|1,0,1]=4 6184 B12R1.16 CNCC(=O)c1ccc(cc1)Cl 7a_106832991635_100000211071 [0,2,0,0,0,0|1,0,1]=4 6185 B12R1.16 CNCC(=O)c1ccc(cc1)F 7a_106832991635_100000211279 [0,2,0,0,0,0|1,0,1]=4 6186 B12R1.16 CNCC(=O)c1ccc(cc1)I 34a_100102657272_100011216261 [0,2,0,0,0,0|1,0,1]=4 6187 B12R1.16 CNCC(=O)c1ccc(cc1)I 7a_106832991635_100011216261 [0,2,0,0,0,0|1,0,1]=4 6188 B12R1.16 CNCC(=O)c1ccc(cc1)O 34a_100102657272_100009814261 [0,2,0,0,0,0|1,0,1]=4 6189 B12R1.16 CNCC(=O)c1ccc(cc1)O 7a_106832991635_100000018856 [0,2,0,0,0,0|1,0,1]=4 6190 B12R1.16 CNCC(=O)c1ccc(cn1)Cl 7a_106832991635_100016989621 [0,2,0,0,0,0|0,0,1]=3 6191 B12R1.16 CNCC(C)c1ccc(cc1)O 34a_200015188644_200000210301 [0,2,0,0,0,0|1,0,0]=3 6192 B12R1.16 CNCC(O)c1ccc(cc1)Br 2230a_100020626992_200000210301 [0,2,0,0,0,0|1,0,0]=3 6193 B12R1.16 CNCC(O)c1ccc(cc1)Br 34a_100020626992_200000210301 [0,2,0,0,0,0|1,0,0]=3 6194 B12R1.16 CNCC(O)c1ccc(cc1)C 2230a_200020610344_200000210301 [0,2,0,0,0,0|1,0,0]=3 6195 B12R1.16 CNCC(O)c1ccc(cc1)C 34a_200020610344_200000210301 [0,2,0,0,0,0|1,0,0]=3 6196 B12R1.16 CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_200000210301 [0,2,0,0,0,0|1,0,0]=3 6197 B12R1.16 CNCC(O)c1ccc(cc1)Cl 2230a_106832991635_200011996143 [0,2,0,0,0,0|1,0,0]=3 6198 B12R1.16 CNCC(O)c1ccc(cc1)Cl 34a_100000736658_200000210301 [0,2,0,0,0,0|1,0,0]=3 6199 B12R1.16 CNCC(O)c1ccc(cc1)Cl 34a_100102657272_200011996143 [0,2,0,0,0,0|1,0,0]=3 6200 B12R1.16 CNCC(O)c1ccc(cc1)Cl 7a_106832991635_200011996143 [0,2,0,0,0,0|1,0,0]=3 6201 B12R1.16 CNCC(O)c1ccc(cc1)O 34a_100000067596_200000210301 [0,2,0,0,0,0|1,0,0]=3 6202 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 2230a_106832991635_100000720402 [0,2,0,0,0,0|1,0,0]=3 6203 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 34a_100102657272_100000720402 [0,2,0,0,0,0|1,0,0]=3 6204 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 7a_106832991635_100000720402 [0,2,0,0,0,0|1,0,0]=3 6205 B12R1.16 COCC(N)c1ccc(cc1)Br 34a_100000734186_200000210301 [0,2,0,0,0,0|2,0,0]=4 6206 B12R1.16 COCC(N)c1ccc(cc1)F 34a_100000705410_200000210301 [0,2,0,0,0,0|2,0,0]=4 6207 B12R1.16 COCC(O)c1ccc(cc1)Cl 34a_100138415774_200011996143 [0,2,0,0,0,0|2,0,0]=4 6208 B12R1.16 COC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200000210301 [0,2,0,0,0,0|2,0,0]=4 6209 B12R1.16 COC[C@H](N)c1ccc(cc1)C 34a_100009818840_200000210301 [0,2,0,0,0,0|2,0,0]=4 6210 B12R1.16 COC[C@H](O)c1ccc(cc1)F 34a_100138415774_100000720402 [0,2,0,0,0,0|2,0,0]=4 6211 B12R1.16 CSCC(=O)c1ccc(cn1)Cl 62a_100016989621_200000210301 [0,2,0,0,0,0|1,0,1]=4 6212 B12R1.16 CSCC(=O)c1ccc(cn1)Cl 62a_200000210301_100016989621 [0,2,0,0,0,0|1,0,1]=4 6213 B12R1.16 CSCC(O)c1ccc(cc1)Cl 62a_200000210301_200011996143 [0,2,0,0,0,0|2,0,0]=4 6214 B12R1.16 CSCC(O)c1ccc(cc1)Cl 62a_200011996143_200000210301 [0,2,0,0,0,0|2,0,0]=4 6215 B12R1.16 CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_200000210301 [0,2,0,0,0,0|2,0,0]=4 6216 B12R1.16 CSC[C@H](O)c1ccc(cc1)F 62a_200000210301_100000720402 [0,2,0,0,0,0|2,0,0]=4 6217 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 2230a_200020610344_200025704644 [0,2,0,0,0,0|1,0,0]=3 6218 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 34a_200020610344_200025704644 [0,2,0,0,0,0|1,0,0]=3 6219 B12R1.16 Cc1ccc(cc1)[C@@H](N)CO[13CH3] 34a_100009818840_200025704644 [0,2,0,0,0,0|2,0,0]=4 6220 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Br 2230a_100020626992_200025704644 [0,2,0,0,0,0|1,0,0]=3 6221 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Br 34a_100020626992_200025704644 [0,2,0,0,0,0|1,0,0]=3 6222 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Cl 2230a_100000736658_200025704644 [0,2,0,0,0,0|1,0,0]=3 6223 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Cl 34a_100000736658_200025704644 [0,2,0,0,0,0|1,0,0]=3 6224 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)O 34a_100000067596_200025704644 [0,2,0,0,0,0|1,0,0]=3 6225 B12R1.16 [13CH3]OCC(N)c1ccc(cc1)Br 34a_100000734186_200025704644 [0,2,0,0,0,0|2,0,0]=4 6226 B12R1.16 [13CH3]OCC(N)c1ccc(cc1)F 34a_100000705410_200025704644 [0,2,0,0,0,0|2,0,0]=4 6227 B12R1.16 [13CH3]OC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200025704644 [0,2,0,0,0,0|2,0,0]=4 6228 B12R1.16 [13CH3]SCC(=O)c1ccc(cn1)Cl 62a_100016989621_200025704644 [0,2,0,0,0,0|1,0,1]=4 6229 B12R1.16 [13CH3]SCC(=O)c1ccc(cn1)Cl 62a_200025704644_100016989621 [0,2,0,0,0,0|1,0,1]=4 6230 B12R1.16 [13CH3]SCC(O)c1ccc(cc1)Cl 62a_200011996143_200025704644 [0,2,0,0,0,0|2,0,0]=4 6231 B12R1.16 [13CH3]SCC(O)c1ccc(cc1)Cl 62a_200025704644_200011996143 [0,2,0,0,0,0|2,0,0]=4 6232 B12R1.16 [13CH3]SC[C@H](O)c1ccc(cc1)F 62a_100000720402_200025704644 [0,2,0,0,0,0|2,0,0]=4 6233 B12R1.16 [13CH3]SC[C@H](O)c1ccc(cc1)F 62a_200025704644_100000720402 [0,2,0,0,0,0|2,0,0]=4 6234 B12R1.21 C=C(C)CNc1ccc(cn1)Br 27a_100000765925_100000686858 [0,2,0,0,0,0|2,0,0]=4 6235 B12R1.21 C=C(C)COc1ccc(cn1)C 34a_100000759353_100000748629 [0,2,0,0,0,0|2,0,0]=4 6236 B12R1.21 C=C(C)COc1ccc(cn1)Cl 34a_100011215309_100000748629 [0,2,0,0,0,0|2,0,0]=4 6237 B12R1.21 C=C(C)COc1ccc(cn1)F 34a_100000742473_100000748629 [0,2,0,0,0,0|2,0,0]=4 6238 B12R1.21 C=C(C)COc1ccc(cn1)N 34a_100000729260_100000748629 [0,2,0,0,0,0|2,0,0]=4 6239 B12R1.21 C=C(C)CSc1ccc(cn1)Br 62a_100000686858_100000211660 [0,2,0,0,0,0|2,0,0]=4 6240 B12R1.21 C=C(C)CSc1ccc(cn1)Br 62a_100000748629_100000686858 [0,2,0,0,0,0|2,0,0]=4 6241 B12R1.21 C=C(C)CSc1ccc(cn1)C 62a_100000748629_100000754016 [0,2,0,0,0,0|2,0,0]=4 6242 B12R1.21 C=C(C)CSc1ccc(cn1)C 62a_100011192072_100000211660 [0,2,0,0,0,0|2,0,0]=4 6243 B12R1.21 C=C(C)CSc1ccc(cn1)Cl 62a_100000748629_100011356976 [0,2,0,0,0,0|2,0,0]=4 6244 B12R1.21 C=C(C)CSc1ccc(cn1)Cl 62a_100011356976_100000211660 [0,2,0,0,0,0|2,0,0]=4 6245 B12R1.21 C=C(C)CSc1ccc(cn1)F 62a_100000744514_100000211660 [0,2,0,0,0,0|2,0,0]=4 6246 B12R1.21 C=C(C)CSc1ccc(cn1)F 62a_100000748629_100000744514 [0,2,0,0,0,0|2,0,0]=4 6247 B12R1.21 C=C(C)CSc1ccc(cn1)N 62a_100000737798_100000211660 [0,2,0,0,0,0|2,0,0]=4 6248 B12R1.21 C=C(C)CSc1ccc(cn1)N 62a_100000748629_100000737798 [0,2,0,0,0,0|2,0,0]=4 6249 B12R1.21 C=C(C)CSc1ccc(cn1)O 62a_100000685995_100000211660 [0,2,0,0,0,0|2,0,0]=4 6250 B12R1.21 C=C(C)CSc1ccc(cn1)O 62a_100000748629_100000744096 [0,2,0,0,0,0|2,0,0]=4 6251 B12R1.21 CC(=O)CCc1ccc(=O)[nH]n1 1458a_200015201340_200000210301 [0,2,0,0,0,0|2,0,0]=4 6252 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [0,2,0,0,0,0|2,0,0]=4 6253 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [0,2,0,0,0,0|2,0,0]=4 6254 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [0,2,0,0,0,0|2,0,0]=4 6255 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [0,2,0,0,0,0|2,0,0]=4 6256 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [0,2,0,0,0,0|2,0,0]=4 6257 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [0,2,0,0,0,0|2,0,0]=4 6258 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [0,2,0,0,0,0|2,0,0]=4 6259 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [0,2,0,0,0,0|2,0,0]=4 6260 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [0,2,0,0,0,0|2,0,0]=4 6261 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [0,2,0,0,0,0|2,0,0]=4 6262 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [0,2,0,0,0,0|2,0,0]=4 6263 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [0,2,0,0,0,0|2,0,0]=4 6264 B12R1.21 CC(=O)NCc1ccc(cn1)Br 11a_100015188789_100015343762 [0,2,0,0,0,0|2,0,0]=4 6265 B12R1.21 CC(=O)NCc1ccc(cn1)Br 1626a_100015188789_100015343762 [0,2,0,0,0,0|2,0,0]=4 6266 B12R1.21 CC(=O)NCc1ccc(cn1)Br 240690a_100015188789_100015343762 [0,2,0,0,0,0|2,0,0]=4 6267 B12R1.21 CC(=O)NCc1ccc(cn1)Br 527a_100015188789_100103153847 [0,2,0,0,0,0|2,0,0]=4 6268 B12R1.21 CC(=O)NCc1ccc(cn1)C 11a_100015187455_100015343762 [0,2,0,0,0,0|2,0,0]=4 6269 B12R1.21 CC(=O)NCc1ccc(cn1)C 1626a_100015187455_100015343762 [0,2,0,0,0,0|2,0,0]=4 6270 B12R1.21 CC(=O)NCc1ccc(cn1)C 240690a_100015187455_100015343762 [0,2,0,0,0,0|2,0,0]=4 6271 B12R1.21 CC(=O)NCc1ccc(cn1)C 527a_100015187455_100103153847 [0,2,0,0,0,0|2,0,0]=4 6272 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 11a_100000697193_100015343762 [0,2,0,0,0,0|2,0,0]=4 6273 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 1626a_100000697193_100015343762 [0,2,0,0,0,0|2,0,0]=4 6274 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 240690a_100000697193_100015343762 [0,2,0,0,0,0|2,0,0]=4 6275 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 527a_100000697193_100103153847 [0,2,0,0,0,0|2,0,0]=4 6276 B12R1.21 CC(=O)NCc1ccc(cn1)F 11a_100020620131_100015343762 [0,2,0,0,0,0|2,0,0]=4 6277 B12R1.21 CC(=O)NCc1ccc(cn1)F 1626a_100020620131_100015343762 [0,2,0,0,0,0|2,0,0]=4 6278 B12R1.21 CC(=O)NCc1ccc(cn1)F 240690a_100020620131_100015343762 [0,2,0,0,0,0|2,0,0]=4 6279 B12R1.21 CC(=O)NCc1ccc(cn1)F 527a_100020620131_100103153847 [0,2,0,0,0,0|2,0,0]=4 6280 B12R1.21 CC(=O)NCc1ccc(cn1)O 240690a_100020605196_100015343762 [0,2,0,0,0,0|2,0,0]=4 6281 B12R1.21 CC(C)CNc1ccc(cn1)Br 27a_100000210953_100000686858 [0,2,0,0,0,0|2,0,0]=4 6282 B12R1.21 CC(C)COc1ccc(cn1)Cl 34a_100011215309_100000210624 [0,2,0,0,0,0|2,0,0]=4 6283 B12R1.21 CC(C)COc1ccc(cn1)F 34a_100000742473_100000210624 [0,2,0,0,0,0|2,0,0]=4 6284 B12R1.21 CC(C)COc1ccc(cn1)N 34a_100000729260_100000210624 [0,2,0,0,0,0|2,0,0]=4 6285 B12R1.21 CC(C)CSc1ccc(cn1)Br 62a_100000210624_100000686858 [0,2,0,0,0,0|2,0,0]=4 6286 B12R1.21 CC(C)CSc1ccc(cn1)Br 62a_100000686858_100000210760 [0,2,0,0,0,0|2,0,0]=4 6287 B12R1.21 CC(C)CSc1ccc(cn1)Cl 62a_100000210624_100011356976 [0,2,0,0,0,0|2,0,0]=4 6288 B12R1.21 CC(C)CSc1ccc(cn1)Cl 62a_100011356976_100000210760 [0,2,0,0,0,0|2,0,0]=4 6289 B12R1.21 CC(C)CSc1ccc(cn1)F 62a_100000210624_100000744514 [0,2,0,0,0,0|2,0,0]=4 6290 B12R1.21 CC(C)CSc1ccc(cn1)F 62a_100000744514_100000210760 [0,2,0,0,0,0|2,0,0]=4 6291 B12R1.21 CC(C)CSc1ccc(cn1)N 62a_100000210624_100000737798 [0,2,0,0,0,0|2,0,0]=4 6292 B12R1.21 CC(C)CSc1ccc(cn1)N 62a_100000737798_100000210760 [0,2,0,0,0,0|2,0,0]=4 6293 B12R1.21 CC(C)CSc1ccc(cn1)O 62a_100000210624_100000744096 [0,2,0,0,0,0|2,0,0]=4 6294 B12R1.21 CC(C)CSc1ccc(cn1)O 62a_100000685995_100000210760 [0,2,0,0,0,0|2,0,0]=4 6295 B12R1.21 CC(C)NCc1ccc(cn1)Br 207a_100138425928_100000754260 [0,2,0,0,0,0|2,0,0]=4 6296 B12R1.21 CC(C)NCc1ccc(cn1)Br 2230a_100138425928_100000702658 [0,2,0,0,0,0|2,0,0]=4 6297 B12R1.21 CC(C)NCc1ccc(cn1)Br 34a_100015188789_100000210206 [0,2,0,0,0,0|2,0,0]=4 6298 B12R1.21 CC(C)NCc1ccc(cn1)Br 34a_100138425928_100000702658 [0,2,0,0,0,0|2,0,0]=4 6299 B12R1.21 CC(C)NCc1ccc(cn1)Cl 207a_100138425928_100011361569 [0,2,0,0,0,0|2,0,0]=4 6300 B12R1.21 CC(C)NCc1ccc(cn1)Cl 2230a_100138425928_100012066911 [0,2,0,0,0,0|2,0,0]=4 6301 B12R1.21 CC(C)NCc1ccc(cn1)Cl 34a_100000697193_100000210206 [0,2,0,0,0,0|2,0,0]=4 6302 B12R1.21 CC(C)NCc1ccc(cn1)Cl 34a_100138425928_100012066911 [0,2,0,0,0,0|2,0,0]=4 6303 B12R1.21 CC(C)NCc1ccc(cn1)F 207a_100138425928_100011934744 [0,2,0,0,0,0|2,0,0]=4 6304 B12R1.21 CC(C)NCc1ccc(cn1)F 2230a_100138425928_100000703193 [0,2,0,0,0,0|2,0,0]=4 6305 B12R1.21 CC(C)NCc1ccc(cn1)F 34a_100020620131_100000210206 [0,2,0,0,0,0|2,0,0]=4 6306 B12R1.21 CC(C)NCc1ccc(cn1)F 34a_100138425928_100000703193 [0,2,0,0,0,0|2,0,0]=4 6307 B12R1.21 CC(C)OCc1ccc(cn1)Br 34a_100000212225_100000702658 [0,2,0,0,0,0|2,0,0]=4 6308 B12R1.21 CC(C)OCc1ccc(cn1)Br 34a_100000754261_100000210206 [0,2,0,0,0,0|2,0,0]=4 6309 B12R1.21 CC(C)OCc1ccc(cn1)Cl 34a_100000212225_100012066911 [0,2,0,0,0,0|2,0,0]=4 6310 B12R1.21 CC(C)OCc1ccc(cn1)Cl 34a_100000703999_100000210206 [0,2,0,0,0,0|2,0,0]=4 6311 B12R1.21 CC(C)OCc1ccc(cn1)F 34a_100000212225_100000703193 [0,2,0,0,0,0|2,0,0]=4 6312 B12R1.21 CC(C)OCc1ccc(cn1)F 34a_100011999454_100000210206 [0,2,0,0,0,0|2,0,0]=4 6313 B12R1.21 CC(C)OCc1ccc(cn1)N 34a_100011998161_100000210206 [0,2,0,0,0,0|2,0,0]=4 6314 B12R1.21 CC(C)SCc1ccc(cn1)Br 62a_100000210206_100000702658 [0,2,0,0,0,0|2,0,0]=4 6315 B12R1.21 CC(C)SCc1ccc(cn1)Br 62a_100000702658_100000210206 [0,2,0,0,0,0|2,0,0]=4 6316 B12R1.21 CC(C)SCc1ccc(cn1)Cl 62a_100000210206_100000697101 [0,2,0,0,0,0|2,0,0]=4 6317 B12R1.21 CC(C)SCc1ccc(cn1)Cl 62a_100012066911_100000210206 [0,2,0,0,0,0|2,0,0]=4 6318 B12R1.21 CC(C)SCc1ccc(cn1)F 62a_100000210206_100000703193 [0,2,0,0,0,0|2,0,0]=4 6319 B12R1.21 CC(C)SCc1ccc(cn1)F 62a_100000703193_100000210206 [0,2,0,0,0,0|2,0,0]=4 6320 B12R1.21 CC(O)CNc1ccc(cn1)Br 27a_100000210904_100000686858 [0,2,0,0,0,0|2,0,0]=4 6321 B12R1.21 CC(O)COc1ccc(cn1)Cl 34a_100011215309_100011218427 [0,2,0,0,0,0|2,0,0]=4 6322 B12R1.21 CC(O)COc1ccc(cn1)F 34a_100000742473_100011218427 [0,2,0,0,0,0|2,0,0]=4 6323 B12R1.21 CC(O)COc1ccc(cn1)N 34a_100000729260_100011218427 [0,2,0,0,0,0|2,0,0]=4 6324 B12R1.21 CC(O)CSc1ccc(cn1)Br 62a_100000686858_100011218427 [0,2,0,0,0,0|2,0,0]=4 6325 B12R1.21 CC(O)CSc1ccc(cn1)Br 62a_100011218427_100000686858 [0,2,0,0,0,0|2,0,0]=4 6326 B12R1.21 CC(O)CSc1ccc(cn1)Cl 62a_100011218427_100011356976 [0,2,0,0,0,0|2,0,0]=4 6327 B12R1.21 CC(O)CSc1ccc(cn1)Cl 62a_100011356976_100011218427 [0,2,0,0,0,0|2,0,0]=4 6328 B12R1.21 CC(O)CSc1ccc(cn1)F 62a_100000744514_100011218427 [0,2,0,0,0,0|2,0,0]=4 6329 B12R1.21 CC(O)CSc1ccc(cn1)F 62a_100011218427_100000744514 [0,2,0,0,0,0|2,0,0]=4 6330 B12R1.21 CC(O)CSc1ccc(cn1)N 62a_100000737798_100011218427 [0,2,0,0,0,0|2,0,0]=4 6331 B12R1.21 CC(O)CSc1ccc(cn1)N 62a_100011218427_100000737798 [0,2,0,0,0,0|2,0,0]=4 6332 B12R1.21 CC(O)CSc1ccc(cn1)O 62a_100000685995_100011218427 [0,2,0,0,0,0|2,0,0]=4 6333 B12R1.21 CC(O)CSc1ccc(cn1)O 62a_100011218427_100000744096 [0,2,0,0,0,0|2,0,0]=4 6334 B12R1.21 CN(C)CCc1ccc(cc1)Br 2230a_100000752880_200000210301 [0,2,0,0,0,0|1,0,0]=3 6335 B12R1.21 CN(C)CCc1ccc(cc1)Br 2230a_100102631434_100011740612 [0,2,0,0,0,0|1,0,0]=3 6336 B12R1.21 CN(C)CCc1ccc(cc1)Br 269982a_100000752880_200000210301 [0,2,0,0,0,0|1,0,0]=3 6337 B12R1.21 CN(C)CCc1ccc(cc1)Br 269982a_100102631434_100011740612 [0,2,0,0,0,0|1,0,0]=3 6338 B12R1.21 CN(C)CCc1ccc(cc1)Br 34a_100000752880_200000210301 [0,2,0,0,0,0|1,0,0]=3 6339 B12R1.21 CN(C)CCc1ccc(cc1)Cl 2230a_100000698262_200000210301 [0,2,0,0,0,0|1,0,0]=3 6340 B12R1.21 CN(C)CCc1ccc(cc1)Cl 2230a_100102631434_100011713675 [0,2,0,0,0,0|1,0,0]=3 6341 B12R1.21 CN(C)CCc1ccc(cc1)Cl 269982a_100000698262_200000210301 [0,2,0,0,0,0|1,0,0]=3 6342 B12R1.21 CN(C)CCc1ccc(cc1)Cl 269982a_100102631434_100011713675 [0,2,0,0,0,0|1,0,0]=3 6343 B12R1.21 CN(C)CCc1ccc(cc1)Cl 34a_100000698262_200000210301 [0,2,0,0,0,0|1,0,0]=3 6344 B12R1.21 CN(C)CCc1ccc(cc1)F 2230a_100102631434_100011217392 [0,2,0,0,0,0|1,0,0]=3 6345 B12R1.21 CN(C)CCc1ccc(cc1)F 2230a_100102946585_200000210301 [0,2,0,0,0,0|1,0,0]=3 6346 B12R1.21 CN(C)CCc1ccc(cc1)F 269982a_100102631434_100011217392 [0,2,0,0,0,0|1,0,0]=3 6347 B12R1.21 CN(C)CCc1ccc(cc1)F 269982a_100102946585_200000210301 [0,2,0,0,0,0|1,0,0]=3 6348 B12R1.21 CN(C)CCc1ccc(cc1)F 34a_100102946585_200000210301 [0,2,0,0,0,0|1,0,0]=3 6349 B12R1.21 CN(C)CCc1ccc(cc1)O 2230a_100016989440_200000210301 [0,2,0,0,0,0|1,0,0]=3 6350 B12R1.21 CN(C)CCc1ccc(cc1)O 2230a_100102631434_100009816426 [0,2,0,0,0,0|1,0,0]=3 6351 B12R1.21 CN(C)CCc1ccc(cc1)O 269982a_100016989440_200000210301 [0,2,0,0,0,0|1,0,0]=3 6352 B12R1.21 CN(C)CCc1ccc(cc1)O 269982a_100102631434_100009816426 [0,2,0,0,0,0|1,0,0]=3 6353 B12R1.21 CN(C)CCc1ccc(cc1)O 34a_100016989440_200000210301 [0,2,0,0,0,0|1,0,0]=3 6354 B12R1.21 CN([13CH3])CCc1ccc(cc1)Br 2230a_100000752880_200025704644 [0,2,0,0,0,0|1,0,0]=3 6355 B12R1.21 CN([13CH3])CCc1ccc(cc1)Br 269982a_100000752880_200025704644 [0,2,0,0,0,0|1,0,0]=3 6356 B12R1.21 CN([13CH3])CCc1ccc(cc1)Br 34a_100000752880_200025704644 [0,2,0,0,0,0|1,0,0]=3 6357 B12R1.21 CN([13CH3])CCc1ccc(cc1)Cl 2230a_100000698262_200025704644 [0,2,0,0,0,0|1,0,0]=3 6358 B12R1.21 CN([13CH3])CCc1ccc(cc1)Cl 269982a_100000698262_200025704644 [0,2,0,0,0,0|1,0,0]=3 6359 B12R1.21 CN([13CH3])CCc1ccc(cc1)Cl 34a_100000698262_200025704644 [0,2,0,0,0,0|1,0,0]=3 6360 B12R1.21 CN([13CH3])CCc1ccc(cc1)F 2230a_100102946585_200025704644 [0,2,0,0,0,0|1,0,0]=3 6361 B12R1.21 CN([13CH3])CCc1ccc(cc1)F 269982a_100102946585_200025704644 [0,2,0,0,0,0|1,0,0]=3 6362 B12R1.21 CN([13CH3])CCc1ccc(cc1)F 34a_100102946585_200025704644 [0,2,0,0,0,0|1,0,0]=3 6363 B12R1.21 CN([13CH3])CCc1ccc(cc1)O 2230a_100016989440_200025704644 [0,2,0,0,0,0|1,0,0]=3 6364 B12R1.21 CN([13CH3])CCc1ccc(cc1)O 269982a_100016989440_200025704644 [0,2,0,0,0,0|1,0,0]=3 6365 B12R1.21 CN([13CH3])CCc1ccc(cc1)O 34a_100016989440_200025704644 [0,2,0,0,0,0|1,0,0]=3 6366 B12R1.21 C[C@@H](O)COc1ccc(cn1)Cl 34a_100011215309_100009817552 [0,2,0,0,0,0|2,0,0]=4 6367 B12R1.21 C[C@@H](O)COc1ccc(cn1)F 34a_100000742473_100009817552 [0,2,0,0,0,0|2,0,0]=4 6368 B12R1.21 C[C@@H](O)COc1ccc(cn1)N 34a_100000729260_100009817552 [0,2,0,0,0,0|2,0,0]=4 6369 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Br 62a_100000686858_100009817552 [0,2,0,0,0,0|2,0,0]=4 6370 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Br 62a_100009817552_100000686858 [0,2,0,0,0,0|2,0,0]=4 6371 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Cl 62a_100009817552_100011356976 [0,2,0,0,0,0|2,0,0]=4 6372 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Cl 62a_100011356976_100009817552 [0,2,0,0,0,0|2,0,0]=4 6373 B12R1.21 C[C@@H](O)CSc1ccc(cn1)F 62a_100000744514_100009817552 [0,2,0,0,0,0|2,0,0]=4 6374 B12R1.21 C[C@@H](O)CSc1ccc(cn1)F 62a_100009817552_100000744514 [0,2,0,0,0,0|2,0,0]=4 6375 B12R1.21 C[C@@H](O)CSc1ccc(cn1)N 62a_100000737798_100009817552 [0,2,0,0,0,0|2,0,0]=4 6376 B12R1.21 C[C@@H](O)CSc1ccc(cn1)N 62a_100009817552_100000737798 [0,2,0,0,0,0|2,0,0]=4 6377 B12R1.21 C[C@@H](O)CSc1ccc(cn1)O 62a_100000685995_100009817552 [0,2,0,0,0,0|2,0,0]=4 6378 B12R1.21 C[C@@H](O)CSc1ccc(cn1)O 62a_100009817552_100000744096 [0,2,0,0,0,0|2,0,0]=4 6379 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [0,2,0,0,0,0|2,0,0]=4 6380 B12R1.21 Cc1ccc(cc1)CCN(C)C 2230a_100102631434_100011713686 [0,2,0,0,0,0|1,0,0]=3 6381 B12R1.21 Cc1ccc(cc1)CCN(C)C 269982a_100102631434_100011713686 [0,2,0,0,0,0|1,0,0]=3 6382 B12R1.21 Cc1ccc(nc1)CNC(C)C 207a_100138425928_100000050478 [0,2,0,0,0,0|2,0,0]=4 6383 B12R1.21 Cc1ccc(nc1)CNC(C)C 2230a_100138425928_100000691093 [0,2,0,0,0,0|2,0,0]=4 6384 B12R1.21 Cc1ccc(nc1)CNC(C)C 34a_100015187455_100000210206 [0,2,0,0,0,0|2,0,0]=4 6385 B12R1.21 Cc1ccc(nc1)CNC(C)C 34a_100138425928_100000691093 [0,2,0,0,0,0|2,0,0]=4 6386 B12R1.21 Cc1ccc(nc1)COC(C)C 34a_100000212225_100000691093 [0,2,0,0,0,0|2,0,0]=4 6387 B12R1.21 Cc1ccc(nc1)COC(C)C 34a_100012001401_100000210206 [0,2,0,0,0,0|2,0,0]=4 6388 B12R1.21 Cc1ccc(nc1)CSC(C)C 62a_100000210206_100000691093 [0,2,0,0,0,0|2,0,0]=4 6389 B12R1.21 Cc1ccc(nc1)CSC(C)C 62a_100000691093_100000210206 [0,2,0,0,0,0|2,0,0]=4 6390 B12R1.21 Cc1ccc(nc1)OCC(C)C 34a_100000759353_100000210624 [0,2,0,0,0,0|2,0,0]=4 6391 B12R1.21 Cc1ccc(nc1)OCC(C)O 34a_100000759353_100011218427 [0,2,0,0,0,0|2,0,0]=4 6392 B12R1.21 Cc1ccc(nc1)OC[C@@H](C)O 34a_100000759353_100009817552 [0,2,0,0,0,0|2,0,0]=4 6393 B12R1.21 Cc1ccc(nc1)SCC(C)C 62a_100000210624_100000754016 [0,2,0,0,0,0|2,0,0]=4 6394 B12R1.21 Cc1ccc(nc1)SCC(C)C 62a_100011192072_100000210760 [0,2,0,0,0,0|2,0,0]=4 6395 B12R1.21 Cc1ccc(nc1)SCC(C)O 62a_100011192072_100011218427 [0,2,0,0,0,0|2,0,0]=4 6396 B12R1.21 Cc1ccc(nc1)SCC(C)O 62a_100011218427_100000754016 [0,2,0,0,0,0|2,0,0]=4 6397 B12R1.21 Cc1ccc(nc1)SC[C@@H](C)O 62a_100009817552_100000754016 [0,2,0,0,0,0|2,0,0]=4 6398 B12R1.21 Cc1ccc(nc1)SC[C@@H](C)O 62a_100011192072_100009817552 [0,2,0,0,0,0|2,0,0]=4 6399 B12R1.21 [13CH3]C(=O)CCc1ccc(=O)[nH]n1 1458a_200015201340_200025704644 [0,2,0,0,0,0|2,0,0]=4 6400 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [0,2,0,0,0,0|2,0,0]=4 6401 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [0,2,0,0,0,0|2,0,0]=4 6402 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [0,2,0,0,0,0|2,0,0]=4 6403 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [0,2,0,0,0,0|2,0,0]=4 6404 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [0,2,0,0,0,0|2,0,0]=4 6405 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 34a_100011351027_200025704644 [0,2,0,0,0,0|2,0,0]=4 6406 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 7a_100011351027_200025704644 [0,2,0,0,0,0|2,0,0]=4 6407 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 2230a_100102634573_200025704644 [0,2,0,0,0,0|1,0,0]=3 6408 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 34a_100102634573_200025704644 [0,2,0,0,0,0|1,0,0]=3 6409 B12R1.49 CCC(=O)Cc1ccc(cn1)Br 1458a_100000210414_100000702658 [0,2,0,0,0,0|1,0,1]=4 6410 B12R1.49 CCC(=O)Cc1ccc(cn1)Br 1458a_100020629044_100000210202 [0,2,0,0,0,0|1,0,1]=4 6411 B12R1.49 CCC(=O)Cc1ccc(cn1)C 1458a_100000210414_100000691093 [0,2,0,0,0,0|1,0,1]=4 6412 B12R1.49 CCC(=O)Cc1ccc(cn1)C 1458a_100025705728_100000210202 [0,2,0,0,0,0|1,0,1]=4 6413 B12R1.49 CCC(=O)Cc1ccc(cn1)Cl 1458a_100000210414_100012066911 [0,2,0,0,0,0|1,0,1]=4 6414 B12R1.49 CCC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_100000210202 [0,2,0,0,0,0|1,0,1]=4 6415 B12R1.49 CCC(=O)Cc1ccc(cn1)F 1458a_100000210414_100000703193 [0,2,0,0,0,0|1,0,1]=4 6416 B12R1.49 CCC(C)Oc1ccc(cn1)C 34a_100000759353_100011215416 [0,2,0,0,0,0|2,0,0]=4 6417 B12R1.49 CCC(C)Oc1ccc(cn1)Cl 34a_100011215309_100011215416 [0,2,0,0,0,0|2,0,0]=4 6418 B12R1.49 CCC(C)Oc1ccc(cn1)F 34a_100000742473_100011215416 [0,2,0,0,0,0|2,0,0]=4 6419 B12R1.49 CCC(C)Oc1ccc(cn1)N 34a_100000729260_100011215416 [0,2,0,0,0,0|2,0,0]=4 6420 B12R1.49 CCC(C)Sc1ccc(cn1)Br 62a_100000686858_100000758301 [0,2,0,0,0,0|2,0,0]=4 6421 B12R1.49 CCC(C)Sc1ccc(cn1)Br 62a_100000758301_100000686858 [0,2,0,0,0,0|2,0,0]=4 6422 B12R1.49 CCC(C)Sc1ccc(cn1)C 62a_100000758301_100000754016 [0,2,0,0,0,0|2,0,0]=4 6423 B12R1.49 CCC(C)Sc1ccc(cn1)C 62a_100011192072_100000758301 [0,2,0,0,0,0|2,0,0]=4 6424 B12R1.49 CCC(C)Sc1ccc(cn1)Cl 62a_100000758301_100011356976 [0,2,0,0,0,0|2,0,0]=4 6425 B12R1.49 CCC(C)Sc1ccc(cn1)Cl 62a_100011356976_100000758301 [0,2,0,0,0,0|2,0,0]=4 6426 B12R1.49 CCC(C)Sc1ccc(cn1)F 62a_100000744514_100000758301 [0,2,0,0,0,0|2,0,0]=4 6427 B12R1.49 CCC(C)Sc1ccc(cn1)F 62a_100000758301_100000744514 [0,2,0,0,0,0|2,0,0]=4 6428 B12R1.49 CCC(C)Sc1ccc(cn1)N 62a_100000737798_100000758301 [0,2,0,0,0,0|2,0,0]=4 6429 B12R1.49 CCC(C)Sc1ccc(cn1)N 62a_100000758301_100000737798 [0,2,0,0,0,0|2,0,0]=4 6430 B12R1.49 CCC(C)Sc1ccc(cn1)O 62a_100000685995_100000758301 [0,2,0,0,0,0|2,0,0]=4 6431 B12R1.49 CCC(C)Sc1ccc(cn1)O 62a_100000758301_100000744096 [0,2,0,0,0,0|2,0,0]=4 6432 B12R1.49 CCN(C)Cc1ccc(cn1)Br 2230a_100000225621_100000702658 [0,2,0,0,0,0|2,0,0]=4 6433 B12R1.49 CCN(C)Cc1ccc(cn1)Br 269982a_100000225621_100000702658 [0,2,0,0,0,0|2,0,0]=4 6434 B12R1.49 CCN(C)Cc1ccc(cn1)C 2230a_100000225621_100000691093 [0,2,0,0,0,0|2,0,0]=4 6435 B12R1.49 CCN(C)Cc1ccc(cn1)C 2230a_200000717808_100000210202 [0,2,0,0,0,0|2,0,0]=4 6436 B12R1.49 CCN(C)Cc1ccc(cn1)C 269982a_100000225621_100000691093 [0,2,0,0,0,0|2,0,0]=4 6437 B12R1.49 CCN(C)Cc1ccc(cn1)C 269982a_200000717808_100000204670 [0,2,0,0,0,0|2,0,0]=4 6438 B12R1.49 CCN(C)Cc1ccc(cn1)Cl 2230a_100000225621_100012066911 [0,2,0,0,0,0|2,0,0]=4 6439 B12R1.49 CCN(C)Cc1ccc(cn1)Cl 269982a_100000225621_100000697101 [0,2,0,0,0,0|2,0,0]=4 6440 B12R1.49 CCN(C)Cc1ccc(cn1)F 2230a_100000225621_100000703193 [0,2,0,0,0,0|2,0,0]=4 6441 B12R1.49 CCN(C)Cc1ccc(cn1)F 269982a_100000225621_100000703193 [0,2,0,0,0,0|2,0,0]=4 6442 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 11a_106832991635_100000198978 [0,2,0,0,0,0|1,0,1]=4 6443 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 240690a_100102657272_100000198978 [0,2,0,0,0,0|1,0,1]=4 6444 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 527a_100102657272_100000198978 [0,2,0,0,0,0|1,0,1]=4 6445 B12R1.49 CNC(=O)Cc1ccc(cc1)C 11a_106832991635_100000212244 [0,2,0,0,0,0|1,0,1]=4 6446 B12R1.49 CNC(=O)Cc1ccc(cc1)C 240690a_100102657272_100000212244 [0,2,0,0,0,0|1,0,1]=4 6447 B12R1.49 CNC(=O)Cc1ccc(cc1)C 527a_100102657272_100000212244 [0,2,0,0,0,0|1,0,1]=4 6448 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 11a_106832991635_100000211027 [0,2,0,0,0,0|1,0,1]=4 6449 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 240690a_100102657272_100000211027 [0,2,0,0,0,0|1,0,1]=4 6450 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 527a_100102657272_100000211027 [0,2,0,0,0,0|1,0,1]=4 6451 B12R1.49 CNC(=O)Cc1ccc(cc1)F 11a_106832991635_100000210951 [0,2,0,0,0,0|1,0,1]=4 6452 B12R1.49 CNC(=O)Cc1ccc(cc1)F 1626a_100102657272_100000210951 [0,2,0,0,0,0|1,0,1]=4 6453 B12R1.49 CNC(=O)Cc1ccc(cc1)F 240690a_100102657272_100000210951 [0,2,0,0,0,0|1,0,1]=4 6454 B12R1.49 CNC(=O)Cc1ccc(cc1)F 527a_100102657272_100000210951 [0,2,0,0,0,0|1,0,1]=4 6455 B12R1.49 CNC(=O)Cc1ccc(cc1)I 11a_106832991635_100000688869 [0,2,0,0,0,0|1,0,1]=4 6456 B12R1.49 CNC(=O)Cc1ccc(cc1)I 1626a_100102657272_100000688869 [0,2,0,0,0,0|1,0,1]=4 6457 B12R1.49 CNC(=O)Cc1ccc(cc1)I 240690a_100102657272_100000688869 [0,2,0,0,0,0|1,0,1]=4 6458 B12R1.49 CNC(=O)Cc1ccc(cc1)I 527a_100102657272_100000688869 [0,2,0,0,0,0|1,0,1]=4 6459 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1626a_100102657272_100000198540 [0,2,0,0,0,0|1,0,1]=4 6460 B12R1.49 CNC(=O)Cc1ccc(cc1)O 240690a_100102657272_100000198540 [0,2,0,0,0,0|1,0,1]=4 6461 B12R1.49 CNC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000155101 [0,2,0,0,0,0|1,0,1]=4 6462 B12R1.49 CNC(=O)Cc1ccc(cc1)O 527a_100102657272_100000198540 [0,2,0,0,0,0|1,0,1]=4 6463 B12R1.49 CNC(=O)Cc1ccc(cn1)Br 11a_106832991635_100020629044 [0,2,0,0,0,0|0,0,1]=3 6464 B12R1.49 CNC(=O)Cc1ccc(cn1)Br 240690a_100102657272_100020629044 [0,2,0,0,0,0|0,0,1]=3 6465 B12R1.49 CNC(=O)Cc1ccc(cn1)C 11a_106832991635_100025705728 [0,2,0,0,0,0|0,0,1]=3 6466 B12R1.49 CNC(=O)Cc1ccc(cn1)C 1626a_100102657272_100025705728 [0,2,0,0,0,0|0,0,1]=3 6467 B12R1.49 CNC(=O)Cc1ccc(cn1)C 240690a_100102657272_100025705728 [0,2,0,0,0,0|0,0,1]=3 6468 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 11a_106832991635_100000728320 [0,2,0,0,0,0|0,0,1]=3 6469 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 1626a_100102657272_100000728320 [0,2,0,0,0,0|0,0,1]=3 6470 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 240690a_100102657272_100000728320 [0,2,0,0,0,0|0,0,1]=3 6471 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 527a_100102657272_100000728320 [0,2,0,0,0,0|0,0,1]=3 6472 B12R1.49 CNC(=O)Cc1ncc(cn1)Br 240690a_100102657272_100012357043 [0,2,0,0,0,0|1,0,1]=4 6473 B12R1.49 CNC(C)Cc1ccc(cc1)Br 270004a_106832991635_100000691760 [0,2,0,0,0,0|1,0,0]=3 6474 B12R1.49 CNC(C)Cc1ccc(cc1)C 270004a_106832991635_100000751045 [0,2,0,0,0,0|1,0,0]=3 6475 B12R1.49 CNC(C)Cc1ccc(cc1)Cl 270004a_106832991635_100000747806 [0,2,0,0,0,0|1,0,0]=3 6476 B12R1.49 CNC(C)Cc1ccc(cc1)F 270004a_106832991635_100000745281 [0,2,0,0,0,0|1,0,0]=3 6477 B12R1.49 CNC(C)Cc1ccc(cc1)O 2230a_100102634573_200000210301 [0,2,0,0,0,0|1,0,0]=3 6478 B12R1.49 CNC(C)Cc1ccc(cc1)O 270004a_106832991635_100011218180 [0,2,0,0,0,0|1,0,0]=3 6479 B12R1.49 CNC(C)Cc1ccc(cc1)O 34a_100102634573_200000210301 [0,2,0,0,0,0|1,0,0]=3 6480 B12R1.49 COC(=O)Cc1ccc(cn1)O 271570a_203496583355_100012362609 [0,2,0,0,0,0|1,0,1]=4 6481 B12R1.49 COC(C)Cc1ccc(cc1)F 34a_100011351027_200000210301 [0,2,0,0,0,0|2,0,0]=4 6482 B12R1.49 COC(C)Cc1ccc(cc1)F 7a_100011351027_200000210301 [0,2,0,0,0,0|2,0,0]=4 6483 B12R1.49 COC(C)Sc1ccc(cn1)Br 62a_100000686858_100009879195 [0,2,0,0,0,0|2,0,0]=4 6484 B12R1.49 COC(C)Sc1ccc(cn1)Br 62a_100009879195_100000686858 [0,2,0,0,0,0|2,0,0]=4 6485 B12R1.49 COC(C)Sc1ccc(cn1)C 62a_100009879195_100000754016 [0,2,0,0,0,0|2,0,0]=4 6486 B12R1.49 COC(C)Sc1ccc(cn1)C 62a_100011192072_100009879195 [0,2,0,0,0,0|2,0,0]=4 6487 B12R1.49 COC(C)Sc1ccc(cn1)Cl 62a_100009879195_100011356976 [0,2,0,0,0,0|2,0,0]=4 6488 B12R1.49 COC(C)Sc1ccc(cn1)Cl 62a_100011356976_100009879195 [0,2,0,0,0,0|2,0,0]=4 6489 B12R1.49 COC(C)Sc1ccc(cn1)F 62a_100000744514_100009879195 [0,2,0,0,0,0|2,0,0]=4 6490 B12R1.49 COC(C)Sc1ccc(cn1)F 62a_100009879195_100000744514 [0,2,0,0,0,0|2,0,0]=4 6491 B12R1.49 COC(C)Sc1ccc(cn1)N 62a_100000737798_100009879195 [0,2,0,0,0,0|2,0,0]=4 6492 B12R1.49 COC(C)Sc1ccc(cn1)N 62a_100009879195_100000737798 [0,2,0,0,0,0|2,0,0]=4 6493 B12R1.49 COC(C)Sc1ccc(cn1)O 62a_100000685995_100009879195 [0,2,0,0,0,0|2,0,0]=4 6494 B12R1.49 COC(C)Sc1ccc(cn1)O 62a_100009879195_100000744096 [0,2,0,0,0,0|2,0,0]=4 6495 B12R1.69 CCCCc1ccc(c[n+]1[O-])C 271570a_100020621405_100009819918 [0,2,0,0,0,0|1,0,1]=4 6496 B12R1.69 CCCCc1ccc(c[n+]1[O-])F 271570a_100020621405_100009817261 [0,2,0,0,0,0|1,0,1]=4 6497 B12R1.69 CCCCc1ccc(cc1Br)Br 271570a_100020621405_100011484698 [0,2,0,0,0,0|2,0,0]=4 6498 B12R1.69 CCCCc1ccc(cc1Br)C 271570a_100020621405_100009813563 [0,2,0,0,0,0|2,0,0]=4 6499 B12R1.69 CCCCc1ccc(cc1Br)Cl 271570a_100020621405_100011219703 [0,2,0,0,0,0|2,0,0]=4 6500 B12R1.69 CCCCc1ccc(cc1Br)F 271570a_100020621405_100011217111 [0,2,0,0,0,0|2,0,0]=4 6501 B12R1.69 CCCCc1ccc(cc1Br)N 271570a_100020621405_100000750458 [0,2,0,0,0,0|2,0,0]=4 6502 B12R1.69 CCCCc1ccc(cc1Br)O 271570a_100020621405_100000701344 [0,2,0,0,0,0|2,0,0]=4 6503 B12R1.69 CCCCc1ccc(cc1C)Br 271570a_100020621405_100000701812 [0,2,0,0,0,0|2,0,0]=4 6504 B12R1.69 CCCCc1ccc(cc1C)C 271570a_100020621405_100011217332 [0,2,0,0,0,0|2,0,0]=4 6505 B12R1.69 CCCCc1ccc(cc1C)Cl 271570a_100020621405_100011219607 [0,2,0,0,0,0|2,0,0]=4 6506 B12R1.69 CCCCc1ccc(cc1C)F 271570a_100020621405_100011205405 [0,2,0,0,0,0|2,0,0]=4 6507 B12R1.69 CCCCc1ccc(cc1C)N 271570a_100020621405_100000210723 [0,2,0,0,0,0|2,0,0]=4 6508 B12R1.69 CCCCc1ccc(cc1C)O 271570a_100020621405_100000729255 [0,2,0,0,0,0|2,0,0]=4 6509 B12R1.69 CCCCc1ccc(cc1Cl)Br 271570a_100020621405_100011216062 [0,2,0,0,0,0|2,0,0]=4 6510 B12R1.69 CCCCc1ccc(cc1Cl)C 271570a_100020621405_100011263221 [0,2,0,0,0,0|2,0,0]=4 6511 B12R1.69 CCCCc1ccc(cc1Cl)Cl 271570a_100020621405_100000699841 [0,2,0,0,0,0|2,0,0]=4 6512 B12R1.69 CCCCc1ccc(cc1Cl)F 271570a_100020621405_100000733362 [0,2,0,0,0,0|2,0,0]=4 6513 B12R1.69 CCCCc1ccc(cc1Cl)N 271570a_100020621405_100000761885 [0,2,0,0,0,0|2,0,0]=4 6514 B12R1.69 CCCCc1ccc(cc1Cl)O 271570a_100020621405_100000047559 [0,2,0,0,0,0|2,0,0]=4 6515 B12R1.69 CCCCc1ccc(cc1F)Br 271570a_100020621405_100009814013 [0,2,0,0,0,0|2,0,0]=4 6516 B12R1.69 CCCCc1ccc(cc1F)C 271570a_100020621405_100011216119 [0,2,0,0,0,0|2,0,0]=4 6517 B12R1.69 CCCCc1ccc(cc1F)Cl 271570a_100020621405_100011216042 [0,2,0,0,0,0|2,0,0]=4 6518 B12R1.69 CCCCc1ccc(cc1F)F 271570a_100020621405_100000750030 [0,2,0,0,0,0|2,0,0]=4 6519 B12R1.69 CCCCc1ccc(cc1F)N 271570a_100020621405_100011356925 [0,2,0,0,0,0|2,0,0]=4 6520 B12R1.69 CCCCc1ccc(cc1F)O 271570a_100020621405_100000755031 [0,2,0,0,0,0|2,0,0]=4 6521 B12R1.69 CCCCc1ccc(cc1N)Br 271570a_100020621405_100000743836 [0,2,0,0,0,0|2,0,0]=4 6522 B12R1.69 CCCCc1ccc(cc1N)C 271570a_100020621405_100011216686 [0,2,0,0,0,0|2,0,0]=4 6523 B12R1.69 CCCCc1ccc(cc1N)Cl 271570a_100020621405_100000761886 [0,2,0,0,0,0|2,0,0]=4 6524 B12R1.69 CCCCc1ccc(cc1N)F 271570a_100020621405_100011218093 [0,2,0,0,0,0|2,0,0]=4 6525 B12R1.69 CCCCc1ccc(cc1N)N 271570a_100020621405_200012175722 [0,2,0,0,0,0|2,0,0]=4 6526 B12R1.69 CCCCc1ccc(cc1N)O 271570a_100020621405_100011999798 [0,2,0,0,0,0|2,0,0]=4 6527 B12R1.69 CCCCc1ccc(cc1O)Br 271570a_100020621405_100012344904 [0,2,0,0,0,0|2,0,0]=4 6528 B12R1.69 CCCCc1ccc(cc1O)C 271570a_100020621405_100012002257 [0,2,0,0,0,0|2,0,0]=4 6529 B12R1.69 CCCCc1ccc(cc1O)Cl 271570a_100020621405_100000050036 [0,2,0,0,0,0|2,0,0]=4 6530 B12R1.69 CCCCc1ccc(cc1O)F 271570a_100020621405_100000690578 [0,2,0,0,0,0|2,0,0]=4 6531 B12R1.69 CCCCc1ccc(cc1O)O 271570a_100020621405_100009813921 [0,2,0,0,0,0|2,0,0]=4 6532 B12R1.69 CCCCc1n[nH]c(=O)cc1C 271570a_100020621405_100000081757 [0,2,0,0,0,0|2,0,0]=4 6533 B12R1.69 CCCCc1ncc(cc1Br)Cl 271570a_100020621405_100012154958 [0,2,0,0,0,0|1,0,0]=3 6534 B12R1.69 CCCCc1ncc(cc1C)Br 271570a_100020621405_100012353652 [0,2,0,0,0,0|1,0,0]=3 6535 B12R1.69 CCCCc1ncc(cc1C)C 271570a_100020621405_100009864548 [0,2,0,0,0,0|1,0,0]=3 6536 B12R1.69 CCCCc1ncc(cc1C)F 271570a_100020621405_100009817009 [0,2,0,0,0,0|1,0,0]=3 6537 B12R1.69 CCCCc1ncc(cc1C)N 271570a_100020621405_100000761747 [0,2,0,0,0,0|1,0,0]=3 6538 B12R1.69 CCCCc1ncc(cc1C)O 271570a_100020621405_100012000486 [0,2,0,0,0,0|1,0,0]=3 6539 B12R1.69 CCCCc1ncc(cc1F)Br 271570a_100020621405_100012348576 [0,2,0,0,0,0|1,0,0]=3 6540 B12R1.69 CCCCc1ncc(cc1F)C 271570a_100020621405_100009819633 [0,2,0,0,0,0|1,0,0]=3 6541 B12R1.69 CCCCc1ncc(cc1F)Cl 271570a_100020621405_100012348686 [0,2,0,0,0,0|1,0,0]=3 6542 B12R1.69 CCCCc1ncc(cc1F)F 271570a_100020621405_100011219543 [0,2,0,0,0,0|1,0,0]=3 6543 B12R1.69 CCCCc1ncc(cc1F)N 271570a_100020621405_100010280766 [0,2,0,0,0,0|1,0,0]=3 6544 B12R1.69 CCCCc1ncc(cc1F)O 271570a_100020621405_100000063512 [0,2,0,0,0,0|1,0,0]=3 6545 B12R1.69 CCCCc1ncc(cc1N)Br 271570a_100020621405_100010090555 [0,2,0,0,0,0|1,0,0]=3 6546 B12R1.69 CCCCc1ncc(cc1N)C 271570a_100020621405_100000733613 [0,2,0,0,0,0|1,0,0]=3 6547 B12R1.69 CCCCc1ncc(cc1N)F 271570a_100020621405_100009817643 [0,2,0,0,0,0|1,0,0]=3 6548 B12R1.69 CCCCc1ncc(cc1N)N 271570a_100020621405_200000093520 [0,2,0,0,0,0|1,0,0]=3 6549 B12R1.69 CCCCc1ncc(cc1O)Br 271570a_100020621405_100010210634 [0,2,0,0,0,0|1,0,0]=3 6550 B12R1.69 CCCCc1ncc(cc1O)C 271570a_100020621405_100012000487 [0,2,0,0,0,0|1,0,0]=3 6551 B12R1.69 CCCCc1ncc(cc1O)Cl 271570a_100020621405_100010233512 [0,2,0,0,0,0|1,0,0]=3 6552 B12R1.69 CCCCc1ncc(cc1O)F 271570a_100020621405_100000079967 [0,2,0,0,0,0|1,0,0]=3 6553 B12R1.69 CCCCc1ncc(nc1C)C 271570a_100020621405_100000065684 [0,2,0,0,0,0|2,0,0]=4 6554 B12R1.69 CCCCc1ncc(nc1C)N 271570a_100020621405_100009818570 [0,2,0,0,0,0|2,0,0]=4 6555 B12R1.69 CCCCc1nnc(cc1C)N 271570a_100020621405_100000123434 [0,2,0,0,0,0|2,0,0]=4 6556 B12R1.69 CCCOc1ncc(cc1Br)Br 34a_100000701035_100000210303 [0,2,0,0,0,0|2,0,0]=4 6557 B12R1.69 CCCOc1ncc(cc1Br)C 34a_100000719714_100000210303 [0,2,0,0,0,0|2,0,0]=4 6558 B12R1.69 CCCOc1ncc(cc1C)Br 34a_100000685391_100000210303 [0,2,0,0,0,0|2,0,0]=4 6559 B12R1.69 CCCOc1ncc(cc1C)O 271570a_203496583355_200012348856 [0,2,0,0,0,0|2,0,0]=4 6560 B12R1.69 CCCOc1ncc(cc1Cl)Br 34a_100012339560_100000210303 [0,2,0,0,0,0|2,0,0]=4 6561 B12R1.69 CCCOc1ncc(cc1Cl)F 34a_100009847679_100000210303 [0,2,0,0,0,0|2,0,0]=4 6562 B12R1.69 CCCOc1ncc(cc1F)Cl 34a_100011998252_100000210303 [0,2,0,0,0,0|2,0,0]=4 6563 B12R1.69 CCCOc1ncc(cc1F)F 34a_100012025737_100000210303 [0,2,0,0,0,0|2,0,0]=4 6564 B12R1.69 CCCOc1ncc(cc1N)Br 34a_100000743729_100000210303 [0,2,0,0,0,0|2,0,0]=4 6565 B12R1.69 CCCOc1ncc(cc1N)C 34a_100012000488_100000210303 [0,2,0,0,0,0|2,0,0]=4 6566 B12R1.69 CCCOc1ncc(cc1N)Cl 34a_100011998249_100000210303 [0,2,0,0,0,0|2,0,0]=4 6567 B12R1.69 CCCOc1ncc(cc1O)C 271570a_203496583355_100013847041 [0,2,0,0,0,0|2,0,0]=4 6568 B12R1.69 CCCSc1ncc(cc1Br)Cl 62a_100000210303_100012154958 [0,2,0,0,0,0|2,0,0]=4 6569 B12R1.69 CCCSc1ncc(cc1Br)Cl 62a_100012154958_100000210303 [0,2,0,0,0,0|2,0,0]=4 6570 B12R1.69 CCCSc1ncc(cc1C)Br 62a_100000210303_100012353652 [0,2,0,0,0,0|2,0,0]=4 6571 B12R1.69 CCCSc1ncc(cc1C)Br 62a_100012353652_100000210303 [0,2,0,0,0,0|2,0,0]=4 6572 B12R1.69 CCCSc1ncc(cc1C)C 62a_100000210303_100009864548 [0,2,0,0,0,0|2,0,0]=4 6573 B12R1.69 CCCSc1ncc(cc1C)C 62a_100009864548_100000210303 [0,2,0,0,0,0|2,0,0]=4 6574 B12R1.69 CCCSc1ncc(cc1C)F 62a_100000210303_100009817009 [0,2,0,0,0,0|2,0,0]=4 6575 B12R1.69 CCCSc1ncc(cc1C)F 62a_100009817009_100000210303 [0,2,0,0,0,0|2,0,0]=4 6576 B12R1.69 CCCSc1ncc(cc1C)N 62a_100000210303_100000761747 [0,2,0,0,0,0|2,0,0]=4 6577 B12R1.69 CCCSc1ncc(cc1C)N 62a_100000761747_100000210303 [0,2,0,0,0,0|2,0,0]=4 6578 B12R1.69 CCCSc1ncc(cc1C)O 62a_100000210303_100012000486 [0,2,0,0,0,0|2,0,0]=4 6579 B12R1.69 CCCSc1ncc(cc1C)O 62a_100012000486_100000210303 [0,2,0,0,0,0|2,0,0]=4 6580 B12R1.69 CCCSc1ncc(cc1F)Br 62a_100000210303_100012348576 [0,2,0,0,0,0|2,0,0]=4 6581 B12R1.69 CCCSc1ncc(cc1F)Br 62a_100012348576_100000210303 [0,2,0,0,0,0|2,0,0]=4 6582 B12R1.69 CCCSc1ncc(cc1F)C 62a_100000210303_100009819633 [0,2,0,0,0,0|2,0,0]=4 6583 B12R1.69 CCCSc1ncc(cc1F)C 62a_100009819633_100000210303 [0,2,0,0,0,0|2,0,0]=4 6584 B12R1.69 CCCSc1ncc(cc1F)Cl 62a_100000210303_100012348686 [0,2,0,0,0,0|2,0,0]=4 6585 B12R1.69 CCCSc1ncc(cc1F)Cl 62a_100012348686_100000210303 [0,2,0,0,0,0|2,0,0]=4 6586 B12R1.69 CCCSc1ncc(cc1F)F 62a_100000210303_100011219543 [0,2,0,0,0,0|2,0,0]=4 6587 B12R1.69 CCCSc1ncc(cc1F)F 62a_100011219543_100000210303 [0,2,0,0,0,0|2,0,0]=4 6588 B12R1.69 CCCSc1ncc(cc1F)N 62a_100000210303_100010280766 [0,2,0,0,0,0|2,0,0]=4 6589 B12R1.69 CCCSc1ncc(cc1F)N 62a_100010280766_100000210303 [0,2,0,0,0,0|2,0,0]=4 6590 B12R1.69 CCCSc1ncc(cc1F)O 62a_100000210303_100000063512 [0,2,0,0,0,0|2,0,0]=4 6591 B12R1.69 CCCSc1ncc(cc1N)Br 62a_100000210303_100010090555 [0,2,0,0,0,0|2,0,0]=4 6592 B12R1.69 CCCSc1ncc(cc1N)Br 62a_100010090555_100000210303 [0,2,0,0,0,0|2,0,0]=4 6593 B12R1.69 CCCSc1ncc(cc1N)C 62a_100000210303_100000733613 [0,2,0,0,0,0|2,0,0]=4 6594 B12R1.69 CCCSc1ncc(cc1N)C 62a_100000733613_100000210303 [0,2,0,0,0,0|2,0,0]=4 6595 B12R1.69 CCCSc1ncc(cc1N)F 62a_100000210303_100009817643 [0,2,0,0,0,0|2,0,0]=4 6596 B12R1.69 CCCSc1ncc(cc1N)F 62a_100009817643_100000210303 [0,2,0,0,0,0|2,0,0]=4 6597 B12R1.69 CCCSc1ncc(cc1N)N 62a_100000210303_200000093520 [0,2,0,0,0,0|2,0,0]=4 6598 B12R1.69 CCCSc1ncc(cc1N)N 62a_200000093520_100000210303 [0,2,0,0,0,0|2,0,0]=4 6599 B12R1.69 CCCSc1ncc(cc1O)Br 62a_100000210303_100010210634 [0,2,0,0,0,0|2,0,0]=4 6600 B12R1.69 CCCSc1ncc(cc1O)Br 62a_100010210634_100000210303 [0,2,0,0,0,0|2,0,0]=4 6601 B12R1.69 CCCSc1ncc(cc1O)C 62a_100000210303_100012000487 [0,2,0,0,0,0|2,0,0]=4 6602 B12R1.69 CCCSc1ncc(cc1O)Cl 62a_100000210303_100010233512 [0,2,0,0,0,0|2,0,0]=4 6603 B12R1.69 CCCSc1ncc(cc1O)Cl 62a_100010233512_100000210303 [0,2,0,0,0,0|2,0,0]=4 6604 B12R1.69 CCCSc1ncc(cc1O)F 62a_100000210303_100000079967 [0,2,0,0,0,0|2,0,0]=4 6605 B12R1.69 CCCSc1ncc(cc1O)F 62a_100009820119_100000210303 [0,2,0,0,0,0|2,0,0]=4 6606 B12R1.69 CCNCc1ncc(cc1Br)Br 207a_100015525214_100000688198 [0,2,0,0,0,0|2,0,0]=4 6607 B12R1.69 CCNCc1ncc(cc1Br)Br 270004a_100015525214_100000688198 [0,2,0,0,0,0|2,0,0]=4 6608 B12R1.69 CCNCc1ncc(cc1Br)Cl 207a_100015525214_100010064872 [0,2,0,0,0,0|2,0,0]=4 6609 B12R1.69 CCNCc1ncc(cc1Br)Cl 270004a_100015525214_100010064872 [0,2,0,0,0,0|2,0,0]=4 6610 B12R1.69 CCNCc1ncc(cc1C)Br 207a_100015525214_100010185443 [0,2,0,0,0,0|2,0,0]=4 6611 B12R1.69 CCNCc1ncc(cc1C)Br 270004a_100015525214_100010185443 [0,2,0,0,0,0|2,0,0]=4 6612 B12R1.69 CCNCc1ncc(cc1C)C 2230a_100015525214_100016990036 [0,2,0,0,0,0|2,0,0]=4 6613 B12R1.69 CCNCc1ncc(cc1C)Cl 207a_100015525214_200009887756 [0,2,0,0,0,0|2,0,0]=4 6614 B12R1.69 CCNCc1ncc(cc1C)Cl 270004a_100015525214_200009887756 [0,2,0,0,0,0|2,0,0]=4 6615 B12R1.69 CCNCc1ncc(cc1Cl)Br 207a_100015525214_100009814801 [0,2,0,0,0,0|2,0,0]=4 6616 B12R1.69 CCNCc1ncc(cc1Cl)Br 270004a_100015525214_100009814801 [0,2,0,0,0,0|2,0,0]=4 6617 B12R1.69 CCNCc1ncc(cc1Cl)Br 34a_100025703182_100000210202 [0,2,0,0,0,0|2,0,0]=4 6618 B12R1.69 CCNCc1ncc(cc1Cl)Cl 207a_100015525214_100011361609 [0,2,0,0,0,0|2,0,0]=4 6619 B12R1.69 CCNCc1ncc(cc1Cl)Cl 270004a_100015525214_100011361609 [0,2,0,0,0,0|2,0,0]=4 6620 B12R1.69 CCNCc1ncc(cc1Cl)F 34a_100020639648_100000210202 [0,2,0,0,0,0|2,0,0]=4 6621 B12R1.69 CCNCc1ncc(cc1F)Br 207a_100015525214_100010180630 [0,2,0,0,0,0|2,0,0]=4 6622 B12R1.69 CCNCc1ncc(cc1F)Br 270004a_100015525214_100010180630 [0,2,0,0,0,0|2,0,0]=4 6623 B12R1.69 CCNCc1ncc(cc1F)Br 34a_100015188786_100000210202 [0,2,0,0,0,0|2,0,0]=4 6624 B12R1.69 CCNCc1ncc(cc1F)C 207a_100015525214_100009845184 [0,2,0,0,0,0|2,0,0]=4 6625 B12R1.69 CCNCc1ncc(cc1F)C 270004a_100015525214_100009845184 [0,2,0,0,0,0|2,0,0]=4 6626 B12R1.69 CCNCc1ncc(cc1F)Cl 207a_100015525214_100009858488 [0,2,0,0,0,0|2,0,0]=4 6627 B12R1.69 CCNCc1ncc(cc1F)Cl 2230a_100015525214_200009879301 [0,2,0,0,0,0|2,0,0]=4 6628 B12R1.69 CCNCc1ncc(cc1F)Cl 270004a_100015525214_100009858488 [0,2,0,0,0,0|2,0,0]=4 6629 B12R1.69 CCNCc1ncc(cc1F)F 34a_100015188779_100000210202 [0,2,0,0,0,0|2,0,0]=4 6630 B12R1.69 CCOCc1ncc(cc1Br)Br 34a_100012354961_100000210202 [0,2,0,0,0,0|2,0,0]=4 6631 B12R1.69 CCOCc1ncc(cc1Br)Br 7a_100012354961_100000210202 [0,2,0,0,0,0|2,0,0]=4 6632 B12R1.69 CCOCc1ncc(cc1Br)Cl 34a_100010065237_100000210202 [0,2,0,0,0,0|2,0,0]=4 6633 B12R1.69 CCOCc1ncc(cc1Br)Cl 7a_100010065237_100000210202 [0,2,0,0,0,0|2,0,0]=4 6634 B12R1.69 CCOCc1ncc(cc1C)Br 34a_100010116297_100000210202 [0,2,0,0,0,0|2,0,0]=4 6635 B12R1.69 CCOCc1ncc(cc1C)Br 7a_100010116297_100000210202 [0,2,0,0,0,0|2,0,0]=4 6636 B12R1.69 CCOCc1ncc(cc1C)C 34a_100012000483_100000210202 [0,2,0,0,0,0|2,0,0]=4 6637 B12R1.69 CCOCc1ncc(cc1C)C 34a_100121572206_100016990036 [0,2,0,0,0,0|2,0,0]=4 6638 B12R1.69 CCOCc1ncc(cc1C)C 7a_100012000483_100000210202 [0,2,0,0,0,0|2,0,0]=4 6639 B12R1.69 CCOCc1ncc(cc1Cl)Br 34a_100010065239_100000210202 [0,2,0,0,0,0|2,0,0]=4 6640 B12R1.69 CCOCc1ncc(cc1Cl)Br 7a_100010065239_100000210202 [0,2,0,0,0,0|2,0,0]=4 6641 B12R1.69 CCOCc1ncc(cc1Cl)Cl 34a_100103146734_100000210202 [0,2,0,0,0,0|2,0,0]=4 6642 B12R1.69 CCOCc1ncc(cc1Cl)Cl 7a_100103146734_100000210202 [0,2,0,0,0,0|2,0,0]=4 6643 B12R1.69 CCOCc1ncc(cc1F)Br 34a_100010065252_100000210202 [0,2,0,0,0,0|2,0,0]=4 6644 B12R1.69 CCOCc1ncc(cc1F)Br 7a_100010065252_100000210202 [0,2,0,0,0,0|2,0,0]=4 6645 B12R1.69 CCOCc1ncc(cc1F)Cl 34a_100009885607_100000210202 [0,2,0,0,0,0|2,0,0]=4 6646 B12R1.69 CCOCc1ncc(cc1F)Cl 34a_100121572206_200009879301 [0,2,0,0,0,0|2,0,0]=4 6647 B12R1.69 CCOCc1ncc(cc1F)Cl 7a_100009885607_100000210202 [0,2,0,0,0,0|2,0,0]=4 6648 B12R1.69 CCOCc1ncc(cc1F)F 34a_100000104222_100000210202 [0,2,0,0,0,0|2,0,0]=4 6649 B12R1.69 CCOCc1ncc(cc1F)F 7a_100000104222_100000210202 [0,2,0,0,0,0|2,0,0]=4 6650 B12R1.69 CCSCc1ncc(cc1C)C 62a_100000210202_100016990036 [0,2,0,0,0,0|2,0,0]=4 6651 B12R1.69 CCSCc1ncc(cc1C)C 62a_100016990036_100000210202 [0,2,0,0,0,0|2,0,0]=4 6652 B12R1.69 CCSCc1ncc(cc1F)Cl 62a_100000210202_200009879301 [0,2,0,0,0,0|2,0,0]=4 6653 B12R1.69 CCSCc1ncc(cc1F)Cl 62a_200009879301_100000210202 [0,2,0,0,0,0|2,0,0]=4 6654 B12R1.69 CNCCc1ccc(cc1Br)Cl 2230a_106832991635_200012945151 [0,2,0,0,0,0|1,0,0]=3 6655 B12R1.69 CNCCc1ccc(cc1Br)Cl 34a_100102657272_200012945151 [0,2,0,0,0,0|1,0,0]=3 6656 B12R1.69 CNCCc1ccc(cc1Br)Cl 7a_106832991635_200012945151 [0,2,0,0,0,0|1,0,0]=3 6657 B12R1.69 CNCCc1ccc(cc1C)C 2230a_100000745621_200000210301 [0,2,0,0,0,0|1,0,0]=3 6658 B12R1.69 CNCCc1ccc(cc1C)C 270004a_106832991635_100011754701 [0,2,0,0,0,0|1,0,0]=3 6659 B12R1.69 CNCCc1ccc(cc1C)C 34a_100000745621_200000210301 [0,2,0,0,0,0|1,0,0]=3 6660 B12R1.69 CNCCc1ccc(cc1Cl)Cl 2230a_100000210994_200000210301 [0,2,0,0,0,0|1,0,0]=3 6661 B12R1.69 CNCCc1ccc(cc1Cl)Cl 2230a_106832991635_200012161198 [0,2,0,0,0,0|1,0,0]=3 6662 B12R1.69 CNCCc1ccc(cc1Cl)Cl 34a_100000210994_200000210301 [0,2,0,0,0,0|1,0,0]=3 6663 B12R1.69 CNCCc1ccc(cc1Cl)Cl 34a_100102657272_200012161198 [0,2,0,0,0,0|1,0,0]=3 6664 B12R1.69 CNCCc1ccc(cc1Cl)Cl 7a_106832991635_200012161198 [0,2,0,0,0,0|1,0,0]=3 6665 B12R1.69 CNCCc1ccc(cc1F)Cl 2230a_103496529009_200000210301 [0,2,0,0,0,0|1,0,0]=3 6666 B12R1.69 CNCCc1ccc(cc1F)Cl 34a_103496529009_200000210301 [0,2,0,0,0,0|1,0,0]=3 6667 B12R1.69 CNCCc1ccc(cc1F)F 2230a_100000754870_200000210301 [0,2,0,0,0,0|1,0,0]=3 6668 B12R1.69 CNCCc1ccc(cc1F)F 34a_100000754870_200000210301 [0,2,0,0,0,0|1,0,0]=3 6669 B12R1.69 COCCc1ccc(cc1Br)Cl 34a_100138415774_200012945151 [0,2,0,0,0,0|2,0,0]=4 6670 B12R1.69 COCCc1ccc(cc1Cl)Br 34a_100013445822_200000210301 [0,2,0,0,0,0|2,0,0]=4 6671 B12R1.69 COCCc1ccc(cc1Cl)Br 7a_100013445822_200000210301 [0,2,0,0,0,0|2,0,0]=4 6672 B12R1.69 COCCc1ccc(cc1Cl)Cl 34a_100011215701_200000210301 [0,2,0,0,0,0|2,0,0]=4 6673 B12R1.69 COCCc1ccc(cc1Cl)Cl 34a_100138415774_200012161198 [0,2,0,0,0,0|2,0,0]=4 6674 B12R1.69 COCCc1ccc(cc1Cl)Cl 7a_100011215701_200000210301 [0,2,0,0,0,0|2,0,0]=4 6675 B12R1.69 COCCc1ccc(cc1Cl)F 34a_100011962860_200000210301 [0,2,0,0,0,0|2,0,0]=4 6676 B12R1.69 COCCc1ccc(cc1Cl)F 7a_100011962860_200000210301 [0,2,0,0,0,0|2,0,0]=4 6677 B12R1.69 COCCc1ccc(cc1F)Br 34a_100011962869_200000210301 [0,2,0,0,0,0|2,0,0]=4 6678 B12R1.69 COCCc1ccc(cc1F)Br 7a_100011962869_200000210301 [0,2,0,0,0,0|2,0,0]=4 6679 B12R1.69 COCCc1ccc(cc1F)F 34a_100000697962_200000210301 [0,2,0,0,0,0|2,0,0]=4 6680 B12R1.69 COCCc1ccc(cc1F)F 7a_100000697962_200000210301 [0,2,0,0,0,0|2,0,0]=4 6681 B12R1.69 COCSc1ncc(cc1Br)Cl 62a_100000766300_100012154958 [0,2,0,0,0,0|2,0,0]=4 6682 B12R1.69 COCSc1ncc(cc1Br)Cl 62a_100012154958_100000766300 [0,2,0,0,0,0|2,0,0]=4 6683 B12R1.69 COCSc1ncc(cc1C)Br 62a_100000766300_100012353652 [0,2,0,0,0,0|2,0,0]=4 6684 B12R1.69 COCSc1ncc(cc1C)Br 62a_100012353652_100000766300 [0,2,0,0,0,0|2,0,0]=4 6685 B12R1.69 COCSc1ncc(cc1C)C 62a_100000766300_100009864548 [0,2,0,0,0,0|2,0,0]=4 6686 B12R1.69 COCSc1ncc(cc1C)C 62a_100009864548_100000766300 [0,2,0,0,0,0|2,0,0]=4 6687 B12R1.69 COCSc1ncc(cc1C)F 62a_100000766300_100009817009 [0,2,0,0,0,0|2,0,0]=4 6688 B12R1.69 COCSc1ncc(cc1C)F 62a_100009817009_100000766300 [0,2,0,0,0,0|2,0,0]=4 6689 B12R1.69 COCSc1ncc(cc1C)N 62a_100000761747_100000766300 [0,2,0,0,0,0|2,0,0]=4 6690 B12R1.69 COCSc1ncc(cc1C)N 62a_100000766300_100000761747 [0,2,0,0,0,0|2,0,0]=4 6691 B12R1.69 COCSc1ncc(cc1C)O 62a_100000766300_100012000486 [0,2,0,0,0,0|2,0,0]=4 6692 B12R1.69 COCSc1ncc(cc1C)O 62a_100012000486_100000766300 [0,2,0,0,0,0|2,0,0]=4 6693 B12R1.69 COCSc1ncc(cc1F)Br 62a_100000766300_100012348576 [0,2,0,0,0,0|2,0,0]=4 6694 B12R1.69 COCSc1ncc(cc1F)Br 62a_100012348576_100000766300 [0,2,0,0,0,0|2,0,0]=4 6695 B12R1.69 COCSc1ncc(cc1F)C 62a_100000766300_100009819633 [0,2,0,0,0,0|2,0,0]=4 6696 B12R1.69 COCSc1ncc(cc1F)C 62a_100009819633_100000766300 [0,2,0,0,0,0|2,0,0]=4 6697 B12R1.69 COCSc1ncc(cc1F)Cl 62a_100000766300_100012348686 [0,2,0,0,0,0|2,0,0]=4 6698 B12R1.69 COCSc1ncc(cc1F)Cl 62a_100012348686_100000766300 [0,2,0,0,0,0|2,0,0]=4 6699 B12R1.69 COCSc1ncc(cc1F)F 62a_100000766300_100011219543 [0,2,0,0,0,0|2,0,0]=4 6700 B12R1.69 COCSc1ncc(cc1F)F 62a_100011219543_100000766300 [0,2,0,0,0,0|2,0,0]=4 6701 B12R1.69 COCSc1ncc(cc1F)N 62a_100000766300_100010280766 [0,2,0,0,0,0|2,0,0]=4 6702 B12R1.69 COCSc1ncc(cc1F)N 62a_100010280766_100000766300 [0,2,0,0,0,0|2,0,0]=4 6703 B12R1.69 COCSc1ncc(cc1F)O 62a_100000766300_100000063512 [0,2,0,0,0,0|2,0,0]=4 6704 B12R1.69 COCSc1ncc(cc1N)Br 62a_100000766300_100010090555 [0,2,0,0,0,0|2,0,0]=4 6705 B12R1.69 COCSc1ncc(cc1N)Br 62a_100010090555_100000766300 [0,2,0,0,0,0|2,0,0]=4 6706 B12R1.69 COCSc1ncc(cc1N)C 62a_100000733613_100000766300 [0,2,0,0,0,0|2,0,0]=4 6707 B12R1.69 COCSc1ncc(cc1N)C 62a_100000766300_100000733613 [0,2,0,0,0,0|2,0,0]=4 6708 B12R1.69 COCSc1ncc(cc1N)F 62a_100000766300_100009817643 [0,2,0,0,0,0|2,0,0]=4 6709 B12R1.69 COCSc1ncc(cc1N)F 62a_100009817643_100000766300 [0,2,0,0,0,0|2,0,0]=4 6710 B12R1.69 COCSc1ncc(cc1N)N 62a_100000766300_200000093520 [0,2,0,0,0,0|2,0,0]=4 6711 B12R1.69 COCSc1ncc(cc1N)N 62a_200000093520_100000766300 [0,2,0,0,0,0|2,0,0]=4 6712 B12R1.69 COCSc1ncc(cc1O)Br 62a_100000766300_100010210634 [0,2,0,0,0,0|2,0,0]=4 6713 B12R1.69 COCSc1ncc(cc1O)Br 62a_100010210634_100000766300 [0,2,0,0,0,0|2,0,0]=4 6714 B12R1.69 COCSc1ncc(cc1O)C 62a_100000766300_100012000487 [0,2,0,0,0,0|2,0,0]=4 6715 B12R1.69 COCSc1ncc(cc1O)Cl 62a_100000766300_100010233512 [0,2,0,0,0,0|2,0,0]=4 6716 B12R1.69 COCSc1ncc(cc1O)Cl 62a_100010233512_100000766300 [0,2,0,0,0,0|2,0,0]=4 6717 B12R1.69 COCSc1ncc(cc1O)F 62a_100000766300_100000079967 [0,2,0,0,0,0|2,0,0]=4 6718 B12R1.69 COCSc1ncc(cc1O)F 62a_100009820119_100000766300 [0,2,0,0,0,0|2,0,0]=4 6719 B12R1.69 CSCCc1ccc(cc1Br)Cl 62a_200000210301_200012945151 [0,2,0,0,0,0|2,0,0]=4 6720 B12R1.69 CSCCc1ccc(cc1Br)Cl 62a_200012945151_200000210301 [0,2,0,0,0,0|2,0,0]=4 6721 B12R1.69 CSCCc1ccc(cc1Cl)Cl 62a_200000210301_200012161198 [0,2,0,0,0,0|2,0,0]=4 6722 B12R1.69 CSCCc1ccc(cc1Cl)Cl 62a_200012161198_200000210301 [0,2,0,0,0,0|2,0,0]=4 6723 B12R1.69 CSCOc1ncc(cc1Br)Br 34a_100000701035_100011218213 [0,2,0,0,0,0|2,0,0]=4 6724 B12R1.69 CSCOc1ncc(cc1Br)C 34a_100000719714_100011218213 [0,2,0,0,0,0|2,0,0]=4 6725 B12R1.69 CSCOc1ncc(cc1C)Br 34a_100000685391_100011218213 [0,2,0,0,0,0|2,0,0]=4 6726 B12R1.69 CSCOc1ncc(cc1Cl)Br 34a_100012339560_100011218213 [0,2,0,0,0,0|2,0,0]=4 6727 B12R1.69 CSCOc1ncc(cc1Cl)F 34a_100009847679_100011218213 [0,2,0,0,0,0|2,0,0]=4 6728 B12R1.69 CSCOc1ncc(cc1F)Cl 34a_100011998252_100011218213 [0,2,0,0,0,0|2,0,0]=4 6729 B12R1.69 CSCOc1ncc(cc1F)F 34a_100012025737_100011218213 [0,2,0,0,0,0|2,0,0]=4 6730 B12R1.69 CSCOc1ncc(cc1N)Br 34a_100000743729_100011218213 [0,2,0,0,0,0|2,0,0]=4 6731 B12R1.69 CSCOc1ncc(cc1N)C 34a_100012000488_100011218213 [0,2,0,0,0,0|2,0,0]=4 6732 B12R1.69 CSCOc1ncc(cc1N)Cl 34a_100011998249_100011218213 [0,2,0,0,0,0|2,0,0]=4 6733 B12R1.69 CSCSc1ncc(cc1Br)Cl 62a_100011218213_100012154958 [0,2,0,0,0,0|2,0,0]=4 6734 B12R1.69 CSCSc1ncc(cc1Br)Cl 62a_100012154958_100011218213 [0,2,0,0,0,0|2,0,0]=4 6735 B12R1.69 CSCSc1ncc(cc1C)Br 62a_100011218213_100012353652 [0,2,0,0,0,0|2,0,0]=4 6736 B12R1.69 CSCSc1ncc(cc1C)Br 62a_100012353652_100011218213 [0,2,0,0,0,0|2,0,0]=4 6737 B12R1.69 CSCSc1ncc(cc1C)C 62a_100009864548_100011218213 [0,2,0,0,0,0|2,0,0]=4 6738 B12R1.69 CSCSc1ncc(cc1C)C 62a_100011218213_100009864548 [0,2,0,0,0,0|2,0,0]=4 6739 B12R1.69 CSCSc1ncc(cc1C)F 62a_100009817009_100011218213 [0,2,0,0,0,0|2,0,0]=4 6740 B12R1.69 CSCSc1ncc(cc1C)F 62a_100011218213_100009817009 [0,2,0,0,0,0|2,0,0]=4 6741 B12R1.69 CSCSc1ncc(cc1C)N 62a_100000761747_100011218213 [0,2,0,0,0,0|2,0,0]=4 6742 B12R1.69 CSCSc1ncc(cc1C)N 62a_100011218213_100000761747 [0,2,0,0,0,0|2,0,0]=4 6743 B12R1.69 CSCSc1ncc(cc1C)O 62a_100011218213_100012000486 [0,2,0,0,0,0|2,0,0]=4 6744 B12R1.69 CSCSc1ncc(cc1C)O 62a_100012000486_100011218213 [0,2,0,0,0,0|2,0,0]=4 6745 B12R1.69 CSCSc1ncc(cc1F)Br 62a_100011218213_100012348576 [0,2,0,0,0,0|2,0,0]=4 6746 B12R1.69 CSCSc1ncc(cc1F)Br 62a_100012348576_100011218213 [0,2,0,0,0,0|2,0,0]=4 6747 B12R1.69 CSCSc1ncc(cc1F)C 62a_100009819633_100011218213 [0,2,0,0,0,0|2,0,0]=4 6748 B12R1.69 CSCSc1ncc(cc1F)C 62a_100011218213_100009819633 [0,2,0,0,0,0|2,0,0]=4 6749 B12R1.69 CSCSc1ncc(cc1F)Cl 62a_100011218213_100012348686 [0,2,0,0,0,0|2,0,0]=4 6750 B12R1.69 CSCSc1ncc(cc1F)Cl 62a_100012348686_100011218213 [0,2,0,0,0,0|2,0,0]=4 6751 B12R1.69 CSCSc1ncc(cc1F)F 62a_100011218213_100011219543 [0,2,0,0,0,0|2,0,0]=4 6752 B12R1.69 CSCSc1ncc(cc1F)F 62a_100011219543_100011218213 [0,2,0,0,0,0|2,0,0]=4 6753 B12R1.69 CSCSc1ncc(cc1F)N 62a_100010280766_100011218213 [0,2,0,0,0,0|2,0,0]=4 6754 B12R1.69 CSCSc1ncc(cc1F)N 62a_100011218213_100010280766 [0,2,0,0,0,0|2,0,0]=4 6755 B12R1.69 CSCSc1ncc(cc1F)O 62a_100011218213_100000063512 [0,2,0,0,0,0|2,0,0]=4 6756 B12R1.69 CSCSc1ncc(cc1N)Br 62a_100010090555_100011218213 [0,2,0,0,0,0|2,0,0]=4 6757 B12R1.69 CSCSc1ncc(cc1N)Br 62a_100011218213_100010090555 [0,2,0,0,0,0|2,0,0]=4 6758 B12R1.69 CSCSc1ncc(cc1N)C 62a_100000733613_100011218213 [0,2,0,0,0,0|2,0,0]=4 6759 B12R1.69 CSCSc1ncc(cc1N)C 62a_100011218213_100000733613 [0,2,0,0,0,0|2,0,0]=4 6760 B12R1.69 CSCSc1ncc(cc1N)F 62a_100009817643_100011218213 [0,2,0,0,0,0|2,0,0]=4 6761 B12R1.69 CSCSc1ncc(cc1N)F 62a_100011218213_100009817643 [0,2,0,0,0,0|2,0,0]=4 6762 B12R1.69 CSCSc1ncc(cc1N)N 62a_100011218213_200000093520 [0,2,0,0,0,0|2,0,0]=4 6763 B12R1.69 CSCSc1ncc(cc1N)N 62a_200000093520_100011218213 [0,2,0,0,0,0|2,0,0]=4 6764 B12R1.69 CSCSc1ncc(cc1O)Br 62a_100010210634_100011218213 [0,2,0,0,0,0|2,0,0]=4 6765 B12R1.69 CSCSc1ncc(cc1O)Br 62a_100011218213_100010210634 [0,2,0,0,0,0|2,0,0]=4 6766 B12R1.69 CSCSc1ncc(cc1O)C 62a_100011218213_100012000487 [0,2,0,0,0,0|2,0,0]=4 6767 B12R1.69 CSCSc1ncc(cc1O)Cl 62a_100010233512_100011218213 [0,2,0,0,0,0|2,0,0]=4 6768 B12R1.69 CSCSc1ncc(cc1O)Cl 62a_100011218213_100010233512 [0,2,0,0,0,0|2,0,0]=4 6769 B12R1.69 CSCSc1ncc(cc1O)F 62a_100009820119_100011218213 [0,2,0,0,0,0|2,0,0]=4 6770 B12R1.69 CSCSc1ncc(cc1O)F 62a_100011218213_100000079967 [0,2,0,0,0,0|2,0,0]=4 6771 B12R1.69 Cc1ccc(c(c1)C)CCN[13CH3] 2230a_100000745621_200025704644 [0,2,0,0,0,0|1,0,0]=3 6772 B12R1.69 Cc1ccc(c(c1)C)CCN[13CH3] 34a_100000745621_200025704644 [0,2,0,0,0,0|1,0,0]=3 6773 B12R1.69 [13CH3]NCCc1ccc(cc1Cl)Cl 2230a_100000210994_200025704644 [0,2,0,0,0,0|1,0,0]=3 6774 B12R1.69 [13CH3]NCCc1ccc(cc1Cl)Cl 34a_100000210994_200025704644 [0,2,0,0,0,0|1,0,0]=3 6775 B12R1.69 [13CH3]NCCc1ccc(cc1F)Cl 2230a_103496529009_200025704644 [0,2,0,0,0,0|1,0,0]=3 6776 B12R1.69 [13CH3]NCCc1ccc(cc1F)Cl 34a_103496529009_200025704644 [0,2,0,0,0,0|1,0,0]=3 6777 B12R1.69 [13CH3]NCCc1ccc(cc1F)F 2230a_100000754870_200025704644 [0,2,0,0,0,0|1,0,0]=3 6778 B12R1.69 [13CH3]NCCc1ccc(cc1F)F 34a_100000754870_200025704644 [0,2,0,0,0,0|1,0,0]=3 6779 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)Br 34a_100013445822_200025704644 [0,2,0,0,0,0|2,0,0]=4 6780 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)Br 7a_100013445822_200025704644 [0,2,0,0,0,0|2,0,0]=4 6781 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)Cl 34a_100011215701_200025704644 [0,2,0,0,0,0|2,0,0]=4 6782 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)Cl 7a_100011215701_200025704644 [0,2,0,0,0,0|2,0,0]=4 6783 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)F 34a_100011962860_200025704644 [0,2,0,0,0,0|2,0,0]=4 6784 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)F 7a_100011962860_200025704644 [0,2,0,0,0,0|2,0,0]=4 6785 B12R1.69 [13CH3]OCCc1ccc(cc1F)Br 34a_100011962869_200025704644 [0,2,0,0,0,0|2,0,0]=4 6786 B12R1.69 [13CH3]OCCc1ccc(cc1F)Br 7a_100011962869_200025704644 [0,2,0,0,0,0|2,0,0]=4 6787 B12R1.69 [13CH3]OCCc1ccc(cc1F)F 34a_100000697962_200025704644 [0,2,0,0,0,0|2,0,0]=4 6788 B12R1.69 [13CH3]OCCc1ccc(cc1F)F 7a_100000697962_200025704644 [0,2,0,0,0,0|2,0,0]=4 6789 B12R1.69 [13CH3]SCCc1ccc(cc1Br)Cl 62a_200012945151_200025704644 [0,2,0,0,0,0|2,0,0]=4 6790 B12R1.69 [13CH3]SCCc1ccc(cc1Br)Cl 62a_200025704644_200012945151 [0,2,0,0,0,0|2,0,0]=4 6791 B12R1.69 [13CH3]SCCc1ccc(cc1Cl)Cl 62a_200012161198_200025704644 [0,2,0,0,0,0|2,0,0]=4 6792 B12R1.69 [13CH3]SCCc1ccc(cc1Cl)Cl 62a_200025704644_200012161198 [0,2,0,0,0,0|2,0,0]=4 6793 B12R1.71 C#Cc1ccc(nc1)OCCC 34a_200009884252_100000210303 [0,2,0,0,0,0|2,0,0]=4 6794 B12R1.71 C#Cc1ccc(nc1)OCSC 34a_200009884252_100011218213 [0,2,0,0,0,0|2,0,0]=4 6795 B12R1.71 C=Cc1ccc(cc1)CCCC 271570a_100011290941_100011215597 [0,2,0,0,0,0|2,0,0]=4 6796 B12R1.71 C=Cc1ccc(cc1)CCNC 2230a_106832991635_100000142037 [0,2,0,0,0,0|1,0,0]=3 6797 B12R1.71 C=Cc1ccc(cc1)CCNC 271570a_100011290941_100000752880 [0,2,0,0,0,0|1,0,0]=3 6798 B12R1.71 C=Cc1ccc(cc1)CCNC 34a_100102657272_100000142037 [0,2,0,0,0,0|1,0,0]=3 6799 B12R1.71 C=Cc1ccc(cc1)CCNC 7a_106832991635_100000142037 [0,2,0,0,0,0|1,0,0]=3 6800 B12R1.71 C=Cc1ccc(cc1)CCOC 271570a_100011290941_100000739703 [0,2,0,0,0,0|2,0,0]=4 6801 B12R1.71 C=Cc1ccc(cc1)CCOC 34a_100138415774_100000142037 [0,2,0,0,0,0|2,0,0]=4 6802 B12R1.71 C=Cc1ccc(cc1)CCSC 62a_100000142037_200000210301 [0,2,0,0,0,0|2,0,0]=4 6803 B12R1.71 C=Cc1ccc(cc1)CCSC 62a_200000210301_100000142037 [0,2,0,0,0,0|2,0,0]=4 6804 B12R1.71 C=Cc1ccc(cc1)CCS[13CH3] 62a_100000142037_200025704644 [0,2,0,0,0,0|2,0,0]=4 6805 B12R1.71 C=Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100000142037 [0,2,0,0,0,0|2,0,0]=4 6806 B12R1.71 C=Cc1ccc(nc1)OCCC 271570a_100011290941_100011465619 [0,2,0,0,0,0|2,0,0]=4 6807 B12R1.71 C=Cc1ccc(nc1)SCCC 62a_100000210303_103436540071 [0,2,0,0,0,0|2,0,0]=4 6808 B12R1.71 C=Cc1ccc(nc1)SCCC 62a_103436540071_100000210303 [0,2,0,0,0,0|2,0,0]=4 6809 B12R1.71 C=Cc1ccc(nc1)SCOC 62a_100000766300_103436540071 [0,2,0,0,0,0|2,0,0]=4 6810 B12R1.71 C=Cc1ccc(nc1)SCOC 62a_103436540071_100000766300 [0,2,0,0,0,0|2,0,0]=4 6811 B12R1.71 C=Cc1ccc(nc1)SCSC 62a_100011218213_103436540071 [0,2,0,0,0,0|2,0,0]=4 6812 B12R1.71 C=Cc1ccc(nc1)SCSC 62a_103436540071_100011218213 [0,2,0,0,0,0|2,0,0]=4 6813 B12R1.71 CCCCc1ccc(cc1)C#N 271570a_100020621405_100000179745 [0,2,0,0,0,0|2,0,0]=4 6814 B12R1.71 CCCCc1ccc(cc1)C=O 271570a_100020621405_100000186029 [0,2,0,0,0,0|2,0,0]=4 6815 B12R1.71 CCCCc1ccc(cc1)CC 271570a_100020621405_100011215824 [0,2,0,0,0,0|2,0,0]=4 6816 B12R1.71 CCCCc1ccc(cc1)CF 271570a_100020621405_100010268989 [0,2,0,0,0,0|2,0,0]=4 6817 B12R1.71 CCCCc1ccc(cc1)CN 271570a_100020621405_100016989417 [0,2,0,0,0,0|2,0,0]=4 6818 B12R1.71 CCCCc1ccc(cc1)CO 271570a_100020621405_100000690907 [0,2,0,0,0,0|2,0,0]=4 6819 B12R1.71 CCCCc1ccc(cc1)NC 2230a_100000210628_200000210301 [0,2,0,0,0,0|2,0,0]=4 6820 B12R1.71 CCCCc1ccc(cc1)NC 271570a_100020621405_100000219623 [0,2,0,0,0,0|2,0,0]=4 6821 B12R1.71 CCCCc1ccc(cc1)NC 34a_100000210628_200000210301 [0,2,0,0,0,0|2,0,0]=4 6822 B12R1.71 CCCCc1ccc(cc1)NN 271570a_100020621405_100016988836 [0,2,0,0,0,0|2,0,0]=4 6823 B12R1.71 CCCCc1ccc(cc1)N[13CH3] 2230a_100000210628_200025704644 [0,2,0,0,0,0|2,0,0]=4 6824 B12R1.71 CCCCc1ccc(cc1)N[13CH3] 34a_100000210628_200025704644 [0,2,0,0,0,0|2,0,0]=4 6825 B12R1.71 CCCCc1ccc(cc1)OC 271570a_100020621405_100000171711 [0,2,0,0,0,0|2,0,0]=4 6826 B12R1.71 CCCCc1ccc(cc1)OC 34a_100011216022_200000210301 [0,2,0,0,0,0|2,0,0]=4 6827 B12R1.71 CCCCc1ccc(cc1)OC 7a_100011216022_200000210301 [0,2,0,0,0,0|2,0,0]=4 6828 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 34a_100011216022_200025704644 [0,2,0,0,0,0|2,0,0]=4 6829 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 7a_100011216022_200025704644 [0,2,0,0,0,0|2,0,0]=4 6830 B12R1.71 CCCCc1ccc(cc1)SC 271570a_100020621405_100011263217 [0,2,0,0,0,0|2,0,0]=4 6831 B12R1.71 CCCCc1ccc(cc1)SC 62a_100011218101_200000210301 [0,2,0,0,0,0|2,0,0]=4 6832 B12R1.71 CCCCc1ccc(cc1)SC 62a_200000210301_100011218101 [0,2,0,0,0,0|2,0,0]=4 6833 B12R1.71 CCCCc1ccc(cc1)S[13CH3] 62a_100011218101_200025704644 [0,2,0,0,0,0|2,0,0]=4 6834 B12R1.71 CCCCc1ccc(cc1)S[13CH3] 62a_200025704644_100011218101 [0,2,0,0,0,0|2,0,0]=4 6835 B12R1.71 CCCCc1ccc(cn1)C#N 271570a_100020621405_100000241038 [0,2,0,0,0,0|1,0,0]=3 6836 B12R1.71 CCCCc1ccc(cn1)C=O 271570a_100020621405_100000766901 [0,2,0,0,0,0|1,0,0]=3 6837 B12R1.71 CCCCc1ccc(cn1)CC 271570a_100020621405_100009843584 [0,2,0,0,0,0|1,0,0]=3 6838 B12R1.71 CCCCc1ccc(cn1)CN 271570a_100020621405_100009817727 [0,2,0,0,0,0|1,0,0]=3 6839 B12R1.71 CCCCc1ccc(cn1)CO 271570a_100020621405_100009816760 [0,2,0,0,0,0|1,0,0]=3 6840 B12R1.71 CCCCc1ccc(cn1)NC 271570a_100020621405_100000764248 [0,2,0,0,0,0|1,0,0]=3 6841 B12R1.71 CCCCc1ccc(cn1)NN 271570a_100020621405_100000119030 [0,2,0,0,0,0|1,0,0]=3 6842 B12R1.71 CCCCc1ccc(cn1)OC 271570a_100020621405_100000755202 [0,2,0,0,0,0|1,0,0]=3 6843 B12R1.71 CCCCc1ccc(cn1)SC 271570a_100020621405_100009820866 [0,2,0,0,0,0|1,0,0]=3 6844 B12R1.71 CCCCc1ccc(nn1)C#N 271570a_100020621405_100000094388 [0,2,0,0,0,0|2,0,0]=4 6845 B12R1.71 CCCCc1ccc(nn1)C=O 271570a_100020621405_100000044651 [0,2,0,0,0,0|2,0,0]=4 6846 B12R1.71 CCCCc1ccc(nn1)NC 271570a_100020621405_100000215272 [0,2,0,0,0,0|2,0,0]=4 6847 B12R1.71 CCCCc1ccc(nn1)NN 271570a_100020621405_100000182438 [0,2,0,0,0,0|2,0,0]=4 6848 B12R1.71 CCCCc1ccc(nn1)OC 271570a_100020621405_100009819040 [0,2,0,0,0,0|2,0,0]=4 6849 B12R1.71 CCCCc1cnc(cn1)C#N 271570a_100020621405_100000059812 [0,2,0,0,0,0|2,0,0]=4 6850 B12R1.71 CCCCc1cnc(cn1)C=O 271570a_100020621405_100012001714 [0,2,0,0,0,0|2,0,0]=4 6851 B12R1.71 CCCCc1cnc(cn1)CO 271570a_100020621405_100012002382 [0,2,0,0,0,0|2,0,0]=4 6852 B12R1.71 CCCCc1cnc(cn1)NC 271570a_100020621405_100012000640 [0,2,0,0,0,0|2,0,0]=4 6853 B12R1.71 CCCCc1cnc(cn1)NN 271570a_100020621405_100000121042 [0,2,0,0,0,0|2,0,0]=4 6854 B12R1.71 CCCCc1cnc(cn1)OC 271570a_100020621405_100011998698 [0,2,0,0,0,0|2,0,0]=4 6855 B12R1.71 CCCCc1cnc(cn1)SC 271570a_100020621405_200012356277 [0,2,0,0,0,0|2,0,0]=4 6856 B12R1.71 CCCCc1ncc(cn1)C#N 271570a_100020621405_100000099682 [0,2,0,0,0,0|2,0,0]=4 6857 B12R1.71 CCCCc1ncc(cn1)C=O 271570a_100020621405_100000070856 [0,2,0,0,0,0|2,0,0]=4 6858 B12R1.71 CCCCc1ncc(cn1)CC 271570a_100020621405_100000033099 [0,2,0,0,0,0|2,0,0]=4 6859 B12R1.71 CCCCc1ncc(cn1)CO 271570a_100020621405_100009855073 [0,2,0,0,0,0|2,0,0]=4 6860 B12R1.71 CCCCc1ncc(cn1)OC 271570a_100020621405_100000069167 [0,2,0,0,0,0|2,0,0]=4 6861 B12R1.71 CCCCc1ncc(cn1)SC 271570a_100020621405_100000718988 [0,2,0,0,0,0|2,0,0]=4 6862 B12R1.71 CCCOc1ccc(cn1)CN 34a_100000757128_100000210303 [0,2,0,0,0,0|2,0,0]=4 6863 B12R1.71 CCCOc1ccc(cn1)OC 34a_100012002028_100000210303 [0,2,0,0,0,0|2,0,0]=4 6864 B12R1.71 CCCOc1ccc(cn1)SC 62a_100011465619_200000210301 [0,2,0,0,0,0|2,0,0]=4 6865 B12R1.71 CCCOc1ccc(cn1)SC 62a_200000210301_100011465619 [0,2,0,0,0,0|2,0,0]=4 6866 B12R1.71 CCCOc1ccc(cn1)S[13CH3] 62a_100011465619_200025704644 [0,2,0,0,0,0|2,0,0]=4 6867 B12R1.71 CCCOc1ccc(cn1)S[13CH3] 62a_200025704644_100011465619 [0,2,0,0,0,0|2,0,0]=4 6868 B12R1.71 CCCSc1ccc(cn1)C#N 62a_100000210303_100000241038 [0,2,0,0,0,0|2,0,0]=4 6869 B12R1.71 CCCSc1ccc(cn1)C=O 62a_100000210303_100000766901 [0,2,0,0,0,0|2,0,0]=4 6870 B12R1.71 CCCSc1ccc(cn1)C=O 62a_100000766901_100000210303 [0,2,0,0,0,0|2,0,0]=4 6871 B12R1.71 CCCSc1ccc(cn1)CC 62a_100000210303_100009843584 [0,2,0,0,0,0|2,0,0]=4 6872 B12R1.71 CCCSc1ccc(cn1)CC 62a_100009843584_100000210303 [0,2,0,0,0,0|2,0,0]=4 6873 B12R1.71 CCCSc1ccc(cn1)CN 62a_100000210303_100000735879 [0,2,0,0,0,0|2,0,0]=4 6874 B12R1.71 CCCSc1ccc(cn1)CN 62a_100000735879_100000210303 [0,2,0,0,0,0|2,0,0]=4 6875 B12R1.71 CCCSc1ccc(cn1)CO 62a_100000210303_100009816760 [0,2,0,0,0,0|2,0,0]=4 6876 B12R1.71 CCCSc1ccc(cn1)CO 62a_100009816760_100000210303 [0,2,0,0,0,0|2,0,0]=4 6877 B12R1.71 CCCSc1ccc(cn1)NC 62a_100000210303_100000764248 [0,2,0,0,0,0|2,0,0]=4 6878 B12R1.71 CCCSc1ccc(cn1)NC 62a_100000764248_100000210303 [0,2,0,0,0,0|2,0,0]=4 6879 B12R1.71 CCCSc1ccc(cn1)NN 62a_100000210303_100000119030 [0,2,0,0,0,0|2,0,0]=4 6880 B12R1.71 CCCSc1ccc(cn1)NN 62a_100000755011_100000210303 [0,2,0,0,0,0|2,0,0]=4 6881 B12R1.71 CCCSc1ccc(cn1)OC 62a_100000210303_100000744180 [0,2,0,0,0,0|2,0,0]=4 6882 B12R1.71 CCCSc1ccc(cn1)OC 62a_100000755202_100000210303 [0,2,0,0,0,0|2,0,0]=4 6883 B12R1.71 CCCSc1ccc(cn1)SC 62a_100000210303_100009820866 [0,2,0,0,0,0|2,0,0]=4 6884 B12R1.71 CCCSc1ccc(cn1)SC 62a_100009820866_100000210303 [0,2,0,0,0,0|2,0,0]=4 6885 B12R1.71 CCNCc1ccc(cn1)C#N 2230a_100015525214_100000693164 [0,2,0,0,0,0|2,0,0]=4 6886 B12R1.71 CCNCc1ccc(cn1)C#N 270004a_100015525214_100009884217 [0,2,0,0,0,0|2,0,0]=4 6887 B12R1.71 CCNCc1ccc(cn1)CC 207a_100015525214_100000069529 [0,2,0,0,0,0|2,0,0]=4 6888 B12R1.71 CCNCc1ccc(cn1)CC 2230a_100000069493_100000210202 [0,2,0,0,0,0|2,0,0]=4 6889 B12R1.71 CCNCc1ccc(cn1)CC 270004a_100015525214_100000069529 [0,2,0,0,0,0|2,0,0]=4 6890 B12R1.71 CCNCc1ccc(cn1)CC 34a_100000069493_100000210202 [0,2,0,0,0,0|2,0,0]=4 6891 B12R1.71 CCNCc1ccc(cn1)OC 207a_100015525214_100000701244 [0,2,0,0,0,0|2,0,0]=4 6892 B12R1.71 CCNCc1ccc(cn1)OC 2230a_100015525214_200000757186 [0,2,0,0,0,0|2,0,0]=4 6893 B12R1.71 CCNCc1ccc(cn1)OC 270004a_100015525214_100000701244 [0,2,0,0,0,0|2,0,0]=4 6894 B12R1.71 CCNCc1ccc(cn1)OC 34a_100000703904_100000210202 [0,2,0,0,0,0|2,0,0]=4 6895 B12R1.71 CCOCc1ccc(cn1)C#N 34a_100000101912_100000210202 [0,2,0,0,0,0|2,0,0]=4 6896 B12R1.71 CCOCc1ccc(cn1)C#N 34a_100121572206_100000693164 [0,2,0,0,0,0|2,0,0]=4 6897 B12R1.71 CCOCc1ccc(cn1)CC 34a_100000068455_100000210202 [0,2,0,0,0,0|2,0,0]=4 6898 B12R1.71 CCOCc1ccc(cn1)OC 34a_100011998694_100000210202 [0,2,0,0,0,0|2,0,0]=4 6899 B12R1.71 CCOCc1ccc(cn1)OC 34a_100121572206_200000757186 [0,2,0,0,0,0|2,0,0]=4 6900 B12R1.71 CCSCc1ccc(cn1)C#N 62a_100000210202_100000693164 [0,2,0,0,0,0|2,0,0]=4 6901 B12R1.71 CCSCc1ccc(cn1)OC 62a_100000210202_200000757186 [0,2,0,0,0,0|2,0,0]=4 6902 B12R1.71 CCSCc1ccc(cn1)OC 62a_200000757186_100000210202 [0,2,0,0,0,0|2,0,0]=4 6903 B12R1.71 CCc1ccc(cc1)CCNC 2230a_100025712186_200000210301 [0,2,0,0,0,0|1,0,0]=3 6904 B12R1.71 CCc1ccc(cc1)CCNC 34a_100025712186_200000210301 [0,2,0,0,0,0|1,0,0]=3 6905 B12R1.71 CCc1ccc(cc1)CCN[13CH3] 2230a_100025712186_200025704644 [0,2,0,0,0,0|1,0,0]=3 6906 B12R1.71 CCc1ccc(cc1)CCN[13CH3] 34a_100025712186_200025704644 [0,2,0,0,0,0|1,0,0]=3 6907 B12R1.71 CCc1ccc(nc1)CCOC 34a_100000702088_200000210301 [0,2,0,0,0,0|1,0,0]=3 6908 B12R1.71 CCc1ccc(nc1)CCOC 7a_100000702088_200000210301 [0,2,0,0,0,0|1,0,0]=3 6909 B12R1.71 CCc1ccc(nc1)CCO[13CH3] 34a_100000702088_200025704644 [0,2,0,0,0,0|1,0,0]=3 6910 B12R1.71 CCc1ccc(nc1)CCO[13CH3] 7a_100000702088_200025704644 [0,2,0,0,0,0|1,0,0]=3 6911 B12R1.71 CCc1ccc(nc1)SCOC 62a_100000766300_100009843584 [0,2,0,0,0,0|2,0,0]=4 6912 B12R1.71 CCc1ccc(nc1)SCOC 62a_100009843584_100000766300 [0,2,0,0,0,0|2,0,0]=4 6913 B12R1.71 CCc1ccc(nc1)SCSC 62a_100009843584_100011218213 [0,2,0,0,0,0|2,0,0]=4 6914 B12R1.71 CCc1ccc(nc1)SCSC 62a_100011218213_100009843584 [0,2,0,0,0,0|2,0,0]=4 6915 B12R1.71 CNCCc1ccc(cc1)C#N 2230a_100015189369_200000210301 [0,2,0,0,0,0|1,0,0]=3 6916 B12R1.71 CNCCc1ccc(cc1)C#N 2230a_106832991635_100012161189 [0,2,0,0,0,0|1,0,0]=3 6917 B12R1.71 CNCCc1ccc(cc1)C#N 34a_100015189369_200000210301 [0,2,0,0,0,0|1,0,0]=3 6918 B12R1.71 CNCCc1ccc(cc1)C#N 34a_100102657272_100012161189 [0,2,0,0,0,0|1,0,0]=3 6919 B12R1.71 CNCCc1ccc(cc1)C#N 7a_106832991635_100012161189 [0,2,0,0,0,0|1,0,0]=3 6920 B12R1.71 CNCCc1ccc(cc1)OC 2230a_100000210796_200000210301 [0,2,0,0,0,0|1,0,0]=3 6921 B12R1.71 CNCCc1ccc(cc1)OC 2230a_106832991635_100011713689 [0,2,0,0,0,0|1,0,0]=3 6922 B12R1.71 CNCCc1ccc(cc1)OC 270004a_106832991635_100011242372 [0,2,0,0,0,0|1,0,0]=3 6923 B12R1.71 CNCCc1ccc(cc1)OC 34a_100000210796_200000210301 [0,2,0,0,0,0|1,0,0]=3 6924 B12R1.71 CNCCc1ccc(cc1)OC 34a_100016989440_200000210301 [0,2,0,0,0,0|1,0,0]=3 6925 B12R1.71 CNCCc1ccc(cc1)OC 34a_100102657272_100000184700 [0,2,0,0,0,0|1,0,0]=3 6926 B12R1.71 CNCCc1ccc(cc1)OC 7a_106832991635_100000184700 [0,2,0,0,0,0|1,0,0]=3 6927 B12R1.71 CNCCc1ccc(cc1)O[13CH3] 34a_100016989440_200025704644 [0,2,0,0,0,0|1,0,0]=3 6928 B12R1.71 CNCCc1ccc(cc1)SC 62a_100000752880_200000210301 [0,2,0,0,0,0|1,0,0]=3 6929 B12R1.71 CNCCc1ccc(cc1)SC 62a_200000210301_100000752880 [0,2,0,0,0,0|1,0,0]=3 6930 B12R1.71 CNCCc1ccc(cc1)S[13CH3] 62a_100000752880_200025704644 [0,2,0,0,0,0|1,0,0]=3 6931 B12R1.71 CNCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000752880 [0,2,0,0,0,0|1,0,0]=3 6932 B12R1.71 CNCCc1ccc(nc1)OC 2230a_100011998949_200000210301 [0,2,0,0,0,0|2,0,0]=4 6933 B12R1.71 CNCCc1ccc(nc1)OC 34a_100011998949_200000210301 [0,2,0,0,0,0|2,0,0]=4 6934 B12R1.71 CNc1ccc(cc1)CCSC 2230a_100000750819_200000210301 [0,2,0,0,0,0|2,0,0]=4 6935 B12R1.71 CNc1ccc(cc1)CCSC 34a_100000750819_200000210301 [0,2,0,0,0,0|2,0,0]=4 6936 B12R1.71 CNc1ccc(cc1)CCSC 7a_100000750819_200000210301 [0,2,0,0,0,0|2,0,0]=4 6937 B12R1.71 CNc1ccc(nc1)SCOC 62a_100000764248_100000766300 [0,2,0,0,0,0|2,0,0]=4 6938 B12R1.71 CNc1ccc(nc1)SCOC 62a_100000766300_100000764248 [0,2,0,0,0,0|2,0,0]=4 6939 B12R1.71 CNc1ccc(nc1)SCSC 62a_100000764248_100011218213 [0,2,0,0,0,0|2,0,0]=4 6940 B12R1.71 CNc1ccc(nc1)SCSC 62a_100011218213_100000764248 [0,2,0,0,0,0|2,0,0]=4 6941 B12R1.71 COCCc1ccc(cc1)C#N 34a_100011219507_200000210301 [0,2,0,0,0,0|2,0,0]=4 6942 B12R1.71 COCCc1ccc(cc1)C#N 34a_100138415774_100012161189 [0,2,0,0,0,0|2,0,0]=4 6943 B12R1.71 COCCc1ccc(cc1)C#N 7a_100011219507_200000210301 [0,2,0,0,0,0|2,0,0]=4 6944 B12R1.71 COCCc1ccc(cc1)OC 34a_100000211638_200000210301 [0,2,0,0,0,0|2,0,0]=4 6945 B12R1.71 COCCc1ccc(cc1)OC 34a_100011219623_200000210301 [0,2,0,0,0,0|2,0,0]=4 6946 B12R1.71 COCCc1ccc(cc1)OC 34a_100138415774_100000184700 [0,2,0,0,0,0|2,0,0]=4 6947 B12R1.71 COCCc1ccc(cc1)OC 7a_100000211638_200000210301 [0,2,0,0,0,0|2,0,0]=4 6948 B12R1.71 COCCc1ccc(cc1)OC 7a_100011219623_200000210301 [0,2,0,0,0,0|2,0,0]=4 6949 B12R1.71 COCCc1ccc(cc1)O[13CH3] 34a_100000211638_200025704644 [0,2,0,0,0,0|2,0,0]=4 6950 B12R1.71 COCCc1ccc(cc1)O[13CH3] 7a_100000211638_200025704644 [0,2,0,0,0,0|2,0,0]=4 6951 B12R1.71 COCCc1ccc(cc1)SC 62a_100000739703_200000210301 [0,2,0,0,0,0|2,0,0]=4 6952 B12R1.71 COCCc1ccc(cc1)SC 62a_200000210301_100000739703 [0,2,0,0,0,0|2,0,0]=4 6953 B12R1.71 COCCc1ccc(cc1)S[13CH3] 62a_100000739703_200025704644 [0,2,0,0,0,0|2,0,0]=4 6954 B12R1.71 COCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000739703 [0,2,0,0,0,0|2,0,0]=4 6955 B12R1.71 COCSc1ccc(cn1)C#N 62a_100000766300_100000241038 [0,2,0,0,0,0|2,0,0]=4 6956 B12R1.71 COCSc1ccc(cn1)C=O 62a_100000766300_100000766901 [0,2,0,0,0,0|2,0,0]=4 6957 B12R1.71 COCSc1ccc(cn1)C=O 62a_100000766901_100000766300 [0,2,0,0,0,0|2,0,0]=4 6958 B12R1.71 COCSc1ccc(cn1)CN 62a_100000735879_100000766300 [0,2,0,0,0,0|2,0,0]=4 6959 B12R1.71 COCSc1ccc(cn1)CN 62a_100000766300_100000735879 [0,2,0,0,0,0|2,0,0]=4 6960 B12R1.71 COCSc1ccc(cn1)CO 62a_100000766300_100009816760 [0,2,0,0,0,0|2,0,0]=4 6961 B12R1.71 COCSc1ccc(cn1)CO 62a_100009816760_100000766300 [0,2,0,0,0,0|2,0,0]=4 6962 B12R1.71 COCSc1ccc(cn1)NN 62a_100000755011_100000766300 [0,2,0,0,0,0|2,0,0]=4 6963 B12R1.71 COCSc1ccc(cn1)NN 62a_100000766300_100000119030 [0,2,0,0,0,0|2,0,0]=4 6964 B12R1.71 COCSc1ccc(cn1)OC 62a_100000755202_100000766300 [0,2,0,0,0,0|2,0,0]=4 6965 B12R1.71 COCSc1ccc(cn1)OC 62a_100000766300_100000744180 [0,2,0,0,0,0|2,0,0]=4 6966 B12R1.71 COCSc1ccc(cn1)SC 62a_100000766300_100009820866 [0,2,0,0,0,0|2,0,0]=4 6967 B12R1.71 COCSc1ccc(cn1)SC 62a_100009820866_100000766300 [0,2,0,0,0,0|2,0,0]=4 6968 B12R1.71 COc1ccc(cc1)CCN[13CH3] 2230a_100000210796_200025704644 [0,2,0,0,0,0|1,0,0]=3 6969 B12R1.71 COc1ccc(cc1)CCN[13CH3] 34a_100000210796_200025704644 [0,2,0,0,0,0|1,0,0]=3 6970 B12R1.71 COc1ccc(cc1)CCO[13CH3] 34a_100011219623_200025704644 [0,2,0,0,0,0|2,0,0]=4 6971 B12R1.71 COc1ccc(cc1)CCO[13CH3] 7a_100011219623_200025704644 [0,2,0,0,0,0|2,0,0]=4 6972 B12R1.71 COc1ccc(cc1)CCSC 62a_100011713689_200000210301 [0,2,0,0,0,0|2,0,0]=4 6973 B12R1.71 COc1ccc(cc1)CCSC 62a_200000210301_100011713689 [0,2,0,0,0,0|2,0,0]=4 6974 B12R1.71 COc1ccc(cc1)CCS[13CH3] 62a_100011713689_200025704644 [0,2,0,0,0,0|2,0,0]=4 6975 B12R1.71 COc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713689 [0,2,0,0,0,0|2,0,0]=4 6976 B12R1.71 COc1ccc(cn1)CCN[13CH3] 2230a_100011998949_200025704644 [0,2,0,0,0,0|2,0,0]=4 6977 B12R1.71 COc1ccc(cn1)CCN[13CH3] 34a_100011998949_200025704644 [0,2,0,0,0,0|2,0,0]=4 6978 B12R1.71 COc1ccc(nc1)OCSC 34a_100012002028_100011218213 [0,2,0,0,0,0|2,0,0]=4 6979 B12R1.71 COc1ccc(nc1)SCSC 62a_100000755202_100011218213 [0,2,0,0,0,0|2,0,0]=4 6980 B12R1.71 COc1ccc(nc1)SCSC 62a_100011218213_100000744180 [0,2,0,0,0,0|2,0,0]=4 6981 B12R1.71 CSCCc1ccc(cc1)C#N 62a_200000210301_100012161189 [0,2,0,0,0,0|2,0,0]=4 6982 B12R1.71 CSCCc1ccc(cc1)N[13CH3] 2230a_100000750819_200025704644 [0,2,0,0,0,0|2,0,0]=4 6983 B12R1.71 CSCCc1ccc(cc1)N[13CH3] 34a_100000750819_200025704644 [0,2,0,0,0,0|2,0,0]=4 6984 B12R1.71 CSCCc1ccc(cc1)N[13CH3] 7a_100000750819_200025704644 [0,2,0,0,0,0|2,0,0]=4 6985 B12R1.71 CSCOc1ccc(cn1)CN 34a_100000757128_100011218213 [0,2,0,0,0,0|2,0,0]=4 6986 B12R1.71 CSCSc1ccc(cn1)C#N 62a_100011218213_100000241038 [0,2,0,0,0,0|2,0,0]=4 6987 B12R1.71 CSCSc1ccc(cn1)C=O 62a_100000766901_100011218213 [0,2,0,0,0,0|2,0,0]=4 6988 B12R1.71 CSCSc1ccc(cn1)C=O 62a_100011218213_100000766901 [0,2,0,0,0,0|2,0,0]=4 6989 B12R1.71 CSCSc1ccc(cn1)CN 62a_100000735879_100011218213 [0,2,0,0,0,0|2,0,0]=4 6990 B12R1.71 CSCSc1ccc(cn1)CN 62a_100011218213_100000735879 [0,2,0,0,0,0|2,0,0]=4 6991 B12R1.71 CSCSc1ccc(cn1)CO 62a_100009816760_100011218213 [0,2,0,0,0,0|2,0,0]=4 6992 B12R1.71 CSCSc1ccc(cn1)CO 62a_100011218213_100009816760 [0,2,0,0,0,0|2,0,0]=4 6993 B12R1.71 CSCSc1ccc(cn1)NN 62a_100000755011_100011218213 [0,2,0,0,0,0|2,0,0]=4 6994 B12R1.71 CSCSc1ccc(cn1)NN 62a_100011218213_100000119030 [0,2,0,0,0,0|2,0,0]=4 6995 B12R1.71 CSCSc1ccc(cn1)SC 62a_100009820866_100011218213 [0,2,0,0,0,0|2,0,0]=4 6996 B12R1.71 CSCSc1ccc(cn1)SC 62a_100011218213_100009820866 [0,2,0,0,0,0|2,0,0]=4 6997 B12R1.71 [13CH3]NCCc1ccc(cc1)C#N 2230a_100015189369_200025704644 [0,2,0,0,0,0|1,0,0]=3 6998 B12R1.71 [13CH3]NCCc1ccc(cc1)C#N 34a_100015189369_200025704644 [0,2,0,0,0,0|1,0,0]=3 6999 B12R1.71 [13CH3]OCCc1ccc(cc1)C#N 34a_100011219507_200025704644 [0,2,0,0,0,0|2,0,0]=4 7000 B12R1.71 [13CH3]OCCc1ccc(cc1)C#N 7a_100011219507_200025704644 [0,2,0,0,0,0|2,0,0]=4 7001 B12R1.71 [13CH3]SCCc1ccc(cc1)C#N 62a_200025704644_100012161189 [0,2,0,0,0,0|2,0,0]=4 7002 B12R1.385 CCCCc1c[nH]c(=O)c(n1)C 271570a_100020621405_100010363809 [0,2,0,0,0,0|2,0,0]=4 7003 B12R1.385 CCCCc1cc(=O)n(cn1)C 271570a_100020621405_100012179353 [0,2,0,0,0,0|2,0,0]=4 7004 B12R1.385 CCCCc1cc(c(=O)[nH]n1)C 271570a_100020621405_100012187101 [0,2,0,0,0,0|2,0,0]=4 7005 B12R1.385 CCCCc1cc(c(=O)[nH]n1)N 271570a_100020621405_100000102183 [0,2,0,0,0,0|2,0,0]=4 7006 B12R1.385 CCCCc1cc(c(cn1)Br)C 271570a_100020621405_100012356354 [0,2,0,0,0,0|1,0,0]=3 7007 B12R1.385 CCCCc1cc(c(cn1)C)C 271570a_100020621405_100009850809 [0,2,0,0,0,0|1,0,0]=3 7008 B12R1.385 CCCCc1cc(c(cn1)C)F 271570a_100020621405_100009841206 [0,2,0,0,0,0|1,0,0]=3 7009 B12R1.385 CCCCc1cc(c(cn1)C)N 271570a_100020621405_100000690170 [0,2,0,0,0,0|1,0,0]=3 7010 B12R1.385 CCCCc1cc(c(cn1)C)O 271570a_100020621405_100000704368 [0,2,0,0,0,0|1,0,0]=3 7011 B12R1.385 CCCCc1cc(c(cn1)F)C 271570a_100020621405_100009818257 [0,2,0,0,0,0|1,0,0]=3 7012 B12R1.385 CCCCc1cc(c(cn1)F)N 271570a_100020621405_100000126464 [0,2,0,0,0,0|1,0,0]=3 7013 B12R1.385 CCCCc1cc(c(cn1)F)O 271570a_100020621405_100009854642 [0,2,0,0,0,0|1,0,0]=3 7014 B12R1.385 CCCCc1cc(c(cn1)N)C 271570a_100020621405_100000765520 [0,2,0,0,0,0|1,0,0]=3 7015 B12R1.385 CCCCc1cc(c(cn1)N)N 271570a_100020621405_100000067514 [0,2,0,0,0,0|1,0,0]=3 7016 B12R1.385 CCCCc1cc(c(cn1)O)C 271570a_100020621405_100000692680 [0,2,0,0,0,0|1,0,0]=3 7017 B12R1.385 CCCCc1cc(c(cn1)O)N 271570a_100020621405_100009819941 [0,2,0,0,0,0|1,0,0]=3 7018 B12R1.385 CCCCc1cc(c(nn1)N)C 271570a_100020621405_100153394926 [0,2,0,0,0,0|2,0,0]=4 7019 B12R1.385 CCCCc1ccc(=O)n(n1)C 271570a_100020621405_100009820752 [0,2,0,0,0,0|2,0,0]=4 7020 B12R1.385 CCCCc1ccc(c(=S)[nH]1)N 271570a_100020621405_100116329207 [0,2,0,0,0,0|1,0,1]=4 7021 B12R1.385 CCCCc1ccc(c(c1)Br)Br 271570a_100020621405_100012356285 [0,2,0,0,0,0|2,0,0]=4 7022 B12R1.385 CCCCc1ccc(c(c1)Br)C 271570a_100020621405_100011847877 [0,2,0,0,0,0|2,0,0]=4 7023 B12R1.385 CCCCc1ccc(c(c1)Br)Cl 271570a_100020621405_100012353702 [0,2,0,0,0,0|2,0,0]=4 7024 B12R1.385 CCCCc1ccc(c(c1)Br)F 271570a_100020621405_100012047266 [0,2,0,0,0,0|2,0,0]=4 7025 B12R1.385 CCCCc1ccc(c(c1)Br)N 271570a_100020621405_100000750455 [0,2,0,0,0,0|2,0,0]=4 7026 B12R1.385 CCCCc1ccc(c(c1)Br)O 271570a_100020621405_100012361655 [0,2,0,0,0,0|2,0,0]=4 7027 B12R1.385 CCCCc1ccc(c(c1)C)Br 271570a_100020621405_100009813585 [0,2,0,0,0,0|2,0,0]=4 7028 B12R1.385 CCCCc1ccc(c(c1)C)C 271570a_100020621405_100011215607 [0,2,0,0,0,0|2,0,0]=4 7029 B12R1.385 CCCCc1ccc(c(c1)C)Cl 271570a_100020621405_100000049509 [0,2,0,0,0,0|2,0,0]=4 7030 B12R1.385 CCCCc1ccc(c(c1)C)F 271570a_100020621405_100011218330 [0,2,0,0,0,0|2,0,0]=4 7031 B12R1.385 CCCCc1ccc(c(c1)C)N 271570a_100020621405_100000211769 [0,2,0,0,0,0|2,0,0]=4 7032 B12R1.385 CCCCc1ccc(c(c1)C)O 271570a_100020621405_100000186361 [0,2,0,0,0,0|2,0,0]=4 7033 B12R1.385 CCCCc1ccc(c(c1)Cl)Br 271570a_100020621405_100012047281 [0,2,0,0,0,0|2,0,0]=4 7034 B12R1.385 CCCCc1ccc(c(c1)Cl)C 271570a_100020621405_100011216363 [0,2,0,0,0,0|2,0,0]=4 7035 B12R1.385 CCCCc1ccc(c(c1)Cl)Cl 271570a_100020621405_100011214914 [0,2,0,0,0,0|2,0,0]=4 7036 B12R1.385 CCCCc1ccc(c(c1)Cl)F 271570a_100020621405_100011215976 [0,2,0,0,0,0|2,0,0]=4 7037 B12R1.385 CCCCc1ccc(c(c1)Cl)N 271570a_100020621405_100011218065 [0,2,0,0,0,0|2,0,0]=4 7038 B12R1.385 CCCCc1ccc(c(c1)Cl)O 271570a_100020621405_100012360047 [0,2,0,0,0,0|2,0,0]=4 7039 B12R1.385 CCCCc1ccc(c(c1)F)Br 271570a_100020621405_100000685389 [0,2,0,0,0,0|2,0,0]=4 7040 B12R1.385 CCCCc1ccc(c(c1)F)C 271570a_100020621405_100000720648 [0,2,0,0,0,0|2,0,0]=4 7041 B12R1.385 CCCCc1ccc(c(c1)F)Cl 271570a_100020621405_100011216805 [0,2,0,0,0,0|2,0,0]=4 7042 B12R1.385 CCCCc1ccc(c(c1)F)F 271570a_100020621405_100000750028 [0,2,0,0,0,0|2,0,0]=4 7043 B12R1.385 CCCCc1ccc(c(c1)F)N 271570a_100020621405_100011215594 [0,2,0,0,0,0|2,0,0]=4 7044 B12R1.385 CCCCc1ccc(c(c1)F)O 271570a_100020621405_100000185481 [0,2,0,0,0,0|2,0,0]=4 7045 B12R1.385 CCCCc1ccc(c(c1)N)Br 271570a_100020621405_100000750456 [0,2,0,0,0,0|2,0,0]=4 7046 B12R1.385 CCCCc1ccc(c(c1)N)C 271570a_100020621405_100000761890 [0,2,0,0,0,0|2,0,0]=4 7047 B12R1.385 CCCCc1ccc(c(c1)N)Cl 271570a_100020621405_200000761891 [0,2,0,0,0,0|2,0,0]=4 7048 B12R1.385 CCCCc1ccc(c(c1)N)F 271570a_100020621405_100000740924 [0,2,0,0,0,0|2,0,0]=4 7049 B12R1.385 CCCCc1ccc(c(c1)N)N 271570a_100020621405_100000741789 [0,2,0,0,0,0|2,0,0]=4 7050 B12R1.385 CCCCc1ccc(c(c1)N)O 271570a_100020621405_100000752626 [0,2,0,0,0,0|2,0,0]=4 7051 B12R1.385 CCCCc1ccc(c(c1)O)Br 271570a_100020621405_100012356990 [0,2,0,0,0,0|2,0,0]=4 7052 B12R1.385 CCCCc1ccc(c(c1)O)C 271570a_100020621405_100000766334 [0,2,0,0,0,0|2,0,0]=4 7053 B12R1.385 CCCCc1ccc(c(c1)O)Cl 271570a_100020621405_100011356854 [0,2,0,0,0,0|2,0,0]=4 7054 B12R1.385 CCCCc1ccc(c(c1)O)F 271570a_100020621405_100000686035 [0,2,0,0,0,0|2,0,0]=4 7055 B12R1.385 CCCCc1ccc(c(c1)O)N 271570a_100020621405_100000739049 [0,2,0,0,0,0|2,0,0]=4 7056 B12R1.385 CCCCc1ccc(c(c1)O)O 271570a_100020621405_100009813601 [0,2,0,0,0,0|2,0,0]=4 7057 B12R1.385 CCCCc1ccc(c(n1)Br)O 271570a_100020621405_100000725334 [0,2,0,0,0,0|1,0,0]=3 7058 B12R1.385 CCCCc1ccc(c(n1)C)Br 271570a_100020621405_100012360386 [0,2,0,0,0,0|1,0,0]=3 7059 B12R1.385 CCCCc1ccc(c(n1)C)C 271570a_100020621405_100000103781 [0,2,0,0,0,0|1,0,0]=3 7060 B12R1.385 CCCCc1ccc(c(n1)C)F 271570a_100020621405_100009814307 [0,2,0,0,0,0|1,0,0]=3 7061 B12R1.385 CCCCc1ccc(c(n1)C)N 271570a_100020621405_100000760127 [0,2,0,0,0,0|1,0,0]=3 7062 B12R1.385 CCCCc1ccc(c(n1)C)O 271570a_100020621405_100010233687 [0,2,0,0,0,0|1,0,0]=3 7063 B12R1.385 CCCCc1ccc(c(n1)Cl)N 271570a_100020621405_200010233646 [0,2,0,0,0,0|1,0,0]=3 7064 B12R1.385 CCCCc1ccc(c(n1)Cl)O 271570a_100020621405_100000721234 [0,2,0,0,0,0|1,0,0]=3 7065 B12R1.385 CCCCc1ccc(c(n1)F)Br 271570a_100020621405_100010134343 [0,2,0,0,0,0|1,0,0]=3 7066 B12R1.385 CCCCc1ccc(c(n1)F)N 271570a_100020621405_100009856439 [0,2,0,0,0,0|1,0,0]=3 7067 B12R1.385 CCCCc1ccc(c(n1)F)O 271570a_100020621405_100009819667 [0,2,0,0,0,0|1,0,0]=3 7068 B12R1.385 CCCCc1ccc(c(n1)N)C 271570a_100020621405_100009857032 [0,2,0,0,0,0|1,0,0]=3 7069 B12R1.385 CCCCc1ccc(c(n1)N)F 271570a_100020621405_100016091773 [0,2,0,0,0,0|1,0,0]=3 7070 B12R1.385 CCCCc1ccc(c(n1)N)N 271570a_100020621405_100000747239 [0,2,0,0,0,0|1,0,0]=3 7071 B12R1.385 CCCCc1ccc(c(n1)N)O 271570a_100020621405_100000685527 [0,2,0,0,0,0|1,0,0]=3 7072 B12R1.385 CCCCc1ccc(c(n1)O)F 271570a_100020621405_100010729010 [0,2,0,0,0,0|1,0,0]=3 7073 B12R1.385 CCCCc1ccc(c(n1)O)N 271570a_100020621405_100000718904 [0,2,0,0,0,0|1,0,0]=3 7074 B12R1.385 CCCCc1cn(c(=O)cn1)C 271570a_100020621405_100009843036 [0,2,0,0,0,0|2,0,0]=4 7075 B12R1.385 CCCCc1cnc(c(n1)Br)N 271570a_100020621405_100010982571 [0,2,0,0,0,0|2,0,0]=4 7076 B12R1.385 CCCCc1cnc(c(n1)C)C 271570a_100020621405_100009878948 [0,2,0,0,0,0|2,0,0]=4 7077 B12R1.385 CCCCc1cnc(c(n1)C)N 271570a_100020621405_100009818571 [0,2,0,0,0,0|2,0,0]=4 7078 B12R1.385 CCCCc1cnc(c(n1)Cl)N 271570a_100020621405_100010733632 [0,2,0,0,0,0|2,0,0]=4 7079 B12R1.385 CCCCc1cnc(c(n1)N)N 271570a_100020621405_100009816827 [0,2,0,0,0,0|2,0,0]=4 7080 B12R1.385 CCCCc1ncc(c(n1)C)Cl 271570a_100020621405_100010174973 [0,2,0,0,0,0|2,0,0]=4 7081 B12R1.385 CCCCc1ncc(c(n1)C)F 271570a_100020621405_100015641512 [0,2,0,0,0,0|2,0,0]=4 7082 B12R1.385 CCCCc1ncc(c(n1)C)N 271570a_100020621405_100000123670 [0,2,0,0,0,0|2,0,0]=4 7083 B12R1.385 CCCCc1ncc(c(n1)N)C 271570a_100020621405_100011996698 [0,2,0,0,0,0|2,0,0]=4 7084 B12R1.385 CCCCc1ncc(c(n1)N)F 271570a_100020621405_100000185498 [0,2,0,0,0,0|2,0,0]=4 7085 B12R1.385 CCCCc1ncc(c(n1)N)N 271570a_100020621405_100011933915 [0,2,0,0,0,0|2,0,0]=4 7086 B12R1.385 CCCCc1ncc(c(n1)O)F 271570a_100020621405_100011995740 [0,2,0,0,0,0|2,0,0]=4 7087 B12R1.385 CCCOc1cc(c(cn1)Br)C 34a_100000766222_100000210303 [0,2,0,0,0,0|2,0,0]=4 7088 B12R1.385 CCCOc1cc(c(cn1)Br)Cl 34a_100010369989_100000210303 [0,2,0,0,0,0|2,0,0]=4 7089 B12R1.385 CCCOc1cc(c(cn1)C)Br 34a_100009831917_100000210303 [0,2,0,0,0,0|2,0,0]=4 7090 B12R1.385 CCCOc1cc(c(cn1)Cl)C 34a_200000085746_100000210303 [0,2,0,0,0,0|2,0,0]=4 7091 B12R1.385 CCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100000210303 [0,2,0,0,0,0|2,0,0]=4 7092 B12R1.385 CCCOc1ccc(c(n1)C)Br 34a_100000691680_100000210303 [0,2,0,0,0,0|2,0,0]=4 7093 B12R1.385 CCCOc1ccc(c(n1)C)Cl 34a_200009863735_100000210303 [0,2,0,0,0,0|2,0,0]=4 7094 B12R1.385 CCCOc1ccc(c(n1)C)O 271570a_203496583355_200012343549 [0,2,0,0,0,0|2,0,0]=4 7095 B12R1.385 CCCOc1ccc(c(n1)F)Br 34a_100009879308_100000210303 [0,2,0,0,0,0|2,0,0]=4 7096 B12R1.385 CCCSc1cc(c(cn1)Br)C 62a_100000210303_100012356354 [0,2,0,0,0,0|2,0,0]=4 7097 B12R1.385 CCCSc1cc(c(cn1)Br)C 62a_100012356354_100000210303 [0,2,0,0,0,0|2,0,0]=4 7098 B12R1.385 CCCSc1cc(c(cn1)C)C 62a_100000210303_100009850809 [0,2,0,0,0,0|2,0,0]=4 7099 B12R1.385 CCCSc1cc(c(cn1)C)C 62a_100009850809_100000210303 [0,2,0,0,0,0|2,0,0]=4 7100 B12R1.385 CCCSc1cc(c(cn1)C)F 62a_100000210303_100009841206 [0,2,0,0,0,0|2,0,0]=4 7101 B12R1.385 CCCSc1cc(c(cn1)C)F 62a_100009841206_100000210303 [0,2,0,0,0,0|2,0,0]=4 7102 B12R1.385 CCCSc1cc(c(cn1)C)N 62a_100000126663_100000210303 [0,2,0,0,0,0|2,0,0]=4 7103 B12R1.385 CCCSc1cc(c(cn1)C)N 62a_100000210303_100000126663 [0,2,0,0,0,0|2,0,0]=4 7104 B12R1.385 CCCSc1cc(c(cn1)C)O 62a_100000210303_100000704368 [0,2,0,0,0,0|2,0,0]=4 7105 B12R1.385 CCCSc1cc(c(cn1)C)O 62a_100000704368_100000210303 [0,2,0,0,0,0|2,0,0]=4 7106 B12R1.385 CCCSc1cc(c(cn1)F)C 62a_100000210303_100009818257 [0,2,0,0,0,0|2,0,0]=4 7107 B12R1.385 CCCSc1cc(c(cn1)F)C 62a_100009818257_100000210303 [0,2,0,0,0,0|2,0,0]=4 7108 B12R1.385 CCCSc1cc(c(cn1)F)N 62a_100000126464_100000210303 [0,2,0,0,0,0|2,0,0]=4 7109 B12R1.385 CCCSc1cc(c(cn1)F)N 62a_100000210303_100000126464 [0,2,0,0,0,0|2,0,0]=4 7110 B12R1.385 CCCSc1cc(c(cn1)F)O 62a_100000210303_100009854642 [0,2,0,0,0,0|2,0,0]=4 7111 B12R1.385 CCCSc1cc(c(cn1)F)O 62a_100009854642_100000210303 [0,2,0,0,0,0|2,0,0]=4 7112 B12R1.385 CCCSc1cc(c(cn1)N)C 62a_100000067204_100000210303 [0,2,0,0,0,0|2,0,0]=4 7113 B12R1.385 CCCSc1cc(c(cn1)N)C 62a_100000210303_100000067204 [0,2,0,0,0,0|2,0,0]=4 7114 B12R1.385 CCCSc1cc(c(cn1)N)N 62a_100000067514_100000210303 [0,2,0,0,0,0|2,0,0]=4 7115 B12R1.385 CCCSc1cc(c(cn1)N)N 62a_100000210303_100000067514 [0,2,0,0,0,0|2,0,0]=4 7116 B12R1.385 CCCSc1cc(c(cn1)O)C 62a_100000210303_100000692680 [0,2,0,0,0,0|2,0,0]=4 7117 B12R1.385 CCCSc1cc(c(cn1)O)N 62a_100000210303_100009819941 [0,2,0,0,0,0|2,0,0]=4 7118 B12R1.385 CCCSc1cc(c(cn1)O)N 62a_100009819941_100000210303 [0,2,0,0,0,0|2,0,0]=4 7119 B12R1.385 CCCSc1ccc(c(n1)Br)O 62a_100000210303_100000725334 [0,2,0,0,0,0|2,0,0]=4 7120 B12R1.385 CCCSc1ccc(c(n1)Br)O 62a_100000725334_100000210303 [0,2,0,0,0,0|2,0,0]=4 7121 B12R1.385 CCCSc1ccc(c(n1)C)Br 62a_100000210303_100012360386 [0,2,0,0,0,0|2,0,0]=4 7122 B12R1.385 CCCSc1ccc(c(n1)C)Br 62a_100012360386_100000210303 [0,2,0,0,0,0|2,0,0]=4 7123 B12R1.385 CCCSc1ccc(c(n1)C)C 62a_100000103781_100000210303 [0,2,0,0,0,0|2,0,0]=4 7124 B12R1.385 CCCSc1ccc(c(n1)C)C 62a_100000210303_100000103781 [0,2,0,0,0,0|2,0,0]=4 7125 B12R1.385 CCCSc1ccc(c(n1)C)F 62a_100000210303_100009814307 [0,2,0,0,0,0|2,0,0]=4 7126 B12R1.385 CCCSc1ccc(c(n1)C)F 62a_100009814307_100000210303 [0,2,0,0,0,0|2,0,0]=4 7127 B12R1.385 CCCSc1ccc(c(n1)C)N 62a_100000210303_100000720120 [0,2,0,0,0,0|2,0,0]=4 7128 B12R1.385 CCCSc1ccc(c(n1)C)N 62a_100000720120_100000210303 [0,2,0,0,0,0|2,0,0]=4 7129 B12R1.385 CCCSc1ccc(c(n1)C)O 62a_100000210303_100010233687 [0,2,0,0,0,0|2,0,0]=4 7130 B12R1.385 CCCSc1ccc(c(n1)C)O 62a_100010233687_100000210303 [0,2,0,0,0,0|2,0,0]=4 7131 B12R1.385 CCCSc1ccc(c(n1)Cl)N 62a_100000210303_200010233646 [0,2,0,0,0,0|2,0,0]=4 7132 B12R1.385 CCCSc1ccc(c(n1)Cl)N 62a_200010233646_100000210303 [0,2,0,0,0,0|2,0,0]=4 7133 B12R1.385 CCCSc1ccc(c(n1)Cl)O 62a_100000210303_100000721234 [0,2,0,0,0,0|2,0,0]=4 7134 B12R1.385 CCCSc1ccc(c(n1)F)Br 62a_100000210303_100010134343 [0,2,0,0,0,0|2,0,0]=4 7135 B12R1.385 CCCSc1ccc(c(n1)F)Br 62a_100010134343_100000210303 [0,2,0,0,0,0|2,0,0]=4 7136 B12R1.385 CCCSc1ccc(c(n1)F)N 62a_100000210303_100009856439 [0,2,0,0,0,0|2,0,0]=4 7137 B12R1.385 CCCSc1ccc(c(n1)F)N 62a_100009856439_100000210303 [0,2,0,0,0,0|2,0,0]=4 7138 B12R1.385 CCCSc1ccc(c(n1)F)O 62a_100000210303_100009819667 [0,2,0,0,0,0|2,0,0]=4 7139 B12R1.385 CCCSc1ccc(c(n1)F)O 62a_100009819667_100000210303 [0,2,0,0,0,0|2,0,0]=4 7140 B12R1.385 CCCSc1ccc(c(n1)N)C 62a_100000210303_100009857032 [0,2,0,0,0,0|2,0,0]=4 7141 B12R1.385 CCCSc1ccc(c(n1)N)C 62a_100009857032_100000210303 [0,2,0,0,0,0|2,0,0]=4 7142 B12R1.385 CCCSc1ccc(c(n1)N)F 62a_100000210303_100016091773 [0,2,0,0,0,0|2,0,0]=4 7143 B12R1.385 CCCSc1ccc(c(n1)N)F 62a_100016091773_100000210303 [0,2,0,0,0,0|2,0,0]=4 7144 B12R1.385 CCCSc1ccc(c(n1)N)N 62a_100000747239_100000210303 [0,2,0,0,0,0|2,0,0]=4 7145 B12R1.385 CCCSc1ccc(c(n1)N)O 62a_100000210303_100000685527 [0,2,0,0,0,0|2,0,0]=4 7146 B12R1.385 CCCSc1ccc(c(n1)N)O 62a_100000685527_100000210303 [0,2,0,0,0,0|2,0,0]=4 7147 B12R1.385 CCCSc1ccc(c(n1)O)F 62a_100000210303_100010729010 [0,2,0,0,0,0|2,0,0]=4 7148 B12R1.385 CCCSc1ccc(c(n1)O)N 62a_100000718904_100000210303 [0,2,0,0,0,0|2,0,0]=4 7149 B12R1.385 CCNCc1cc(c(cn1)Br)C 207a_100015525214_100009814806 [0,2,0,0,0,0|2,0,0]=4 7150 B12R1.385 CCNCc1cc(c(cn1)Br)C 270004a_100015525214_100009814806 [0,2,0,0,0,0|2,0,0]=4 7151 B12R1.385 CCNCc1cc(c(cn1)C)Br 207a_100015525214_100010174032 [0,2,0,0,0,0|2,0,0]=4 7152 B12R1.385 CCNCc1cc(c(cn1)C)Br 270004a_100015525214_100010174032 [0,2,0,0,0,0|2,0,0]=4 7153 B12R1.385 CCNCc1ccc(c(n1)C)Br 207a_100015525214_100010238520 [0,2,0,0,0,0|2,0,0]=4 7154 B12R1.385 CCNCc1ccc(c(n1)C)Br 270004a_100015525214_100010238520 [0,2,0,0,0,0|2,0,0]=4 7155 B12R1.385 CCNCc1ccc(c(n1)C)C 2230a_202515432893_100000210202 [0,2,0,0,0,0|2,0,0]=4 7156 B12R1.385 CCNCc1ccc(c(n1)C)C 34a_202515432893_100000210202 [0,2,0,0,0,0|2,0,0]=4 7157 B12R1.385 CCNCc1ccc(c(n1)Cl)Cl 2230a_100009887527_100000210202 [0,2,0,0,0,0|2,0,0]=4 7158 B12R1.385 CCNCc1ccc(c(n1)Cl)Cl 34a_100009887527_100000210202 [0,2,0,0,0,0|2,0,0]=4 7159 B12R1.385 CCOCc1cc(c(cn1)Br)C 34a_200010713146_100000210202 [0,2,0,0,0,0|2,0,0]=4 7160 B12R1.385 CCOCc1cc(c(cn1)C)Br 34a_100010113723_100000210202 [0,2,0,0,0,0|2,0,0]=4 7161 B12R1.385 CCOCc1cc(c(cn1)C)Br 7a_100010113723_100000210202 [0,2,0,0,0,0|2,0,0]=4 7162 B12R1.385 CCOCc1cc(c(cn1)C)Cl 34a_200000144627_100000210202 [0,2,0,0,0,0|2,0,0]=4 7163 B12R1.385 CCOCc1cc(c(cn1)C)Cl 7a_200000144627_100000210202 [0,2,0,0,0,0|2,0,0]=4 7164 B12R1.385 CCOCc1ccc(c(n1)C)Br 34a_100010114280_100000210202 [0,2,0,0,0,0|2,0,0]=4 7165 B12R1.385 CCOCc1ccc(c(n1)C)F 34a_200009884719_100000210202 [0,2,0,0,0,0|2,0,0]=4 7166 B12R1.385 CCOCc1ccc(c(n1)Cl)Br 34a_100010065236_100000210202 [0,2,0,0,0,0|2,0,0]=4 7167 B12R1.385 CNCCc1ccc(c(c1)C)C 2230a_100020591374_200000210301 [0,2,0,0,0,0|1,0,0]=3 7168 B12R1.385 CNCCc1ccc(c(c1)C)C 34a_100020591374_200000210301 [0,2,0,0,0,0|1,0,0]=3 7169 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_200000210301 [0,2,0,0,0,0|1,0,0]=3 7170 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 2230a_106832991635_100011713676 [0,2,0,0,0,0|1,0,0]=3 7171 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 34a_100011207230_200000210301 [0,2,0,0,0,0|1,0,0]=3 7172 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 34a_100102657272_100011713676 [0,2,0,0,0,0|1,0,0]=3 7173 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 7a_106832991635_100011713676 [0,2,0,0,0,0|1,0,0]=3 7174 B12R1.385 CNCCc1ccc(c(c1)Cl)F 2230a_106832991635_100012361305 [0,2,0,0,0,0|1,0,0]=3 7175 B12R1.385 CNCCc1ccc(c(c1)Cl)F 2230a_200011997520_200000210301 [0,2,0,0,0,0|1,0,0]=3 7176 B12R1.385 CNCCc1ccc(c(c1)Cl)F 34a_100102657272_100012361305 [0,2,0,0,0,0|1,0,0]=3 7177 B12R1.385 CNCCc1ccc(c(c1)Cl)F 34a_200011997520_200000210301 [0,2,0,0,0,0|1,0,0]=3 7178 B12R1.385 CNCCc1ccc(c(c1)Cl)F 7a_106832991635_100012361305 [0,2,0,0,0,0|1,0,0]=3 7179 B12R1.385 CNCCc1ccc(c(c1)F)F 2230a_106832991635_100000690553 [0,2,0,0,0,0|1,0,0]=3 7180 B12R1.385 CNCCc1ccc(c(c1)F)F 2230a_200000706328_200000210301 [0,2,0,0,0,0|1,0,0]=3 7181 B12R1.385 CNCCc1ccc(c(c1)F)F 34a_100102657272_100000690553 [0,2,0,0,0,0|1,0,0]=3 7182 B12R1.385 CNCCc1ccc(c(c1)F)F 34a_200000706328_200000210301 [0,2,0,0,0,0|1,0,0]=3 7183 B12R1.385 CNCCc1ccc(c(c1)F)F 7a_106832991635_100000690553 [0,2,0,0,0,0|1,0,0]=3 7184 B12R1.385 CNCCc1ccc(c(c1)O)O 34a_100000210387_200000210301 [0,2,0,0,0,0|1,0,0]=3 7185 B12R1.385 CNCCc1ccc(c(c1)O)O 7a_106832991635_200010393615 [0,2,0,0,0,0|1,0,0]=3 7186 B12R1.385 COCCc1ccc(c(c1)Cl)Cl 34a_100011709245_200000210301 [0,2,0,0,0,0|2,0,0]=4 7187 B12R1.385 COCCc1ccc(c(c1)Cl)Cl 34a_100138415774_100011713676 [0,2,0,0,0,0|2,0,0]=4 7188 B12R1.385 COCCc1ccc(c(c1)Cl)Cl 7a_100011709245_200000210301 [0,2,0,0,0,0|2,0,0]=4 7189 B12R1.385 COCCc1ccc(c(c1)Cl)F 34a_100011830478_200000210301 [0,2,0,0,0,0|2,0,0]=4 7190 B12R1.385 COCCc1ccc(c(c1)Cl)F 34a_100138415774_100012361305 [0,2,0,0,0,0|2,0,0]=4 7191 B12R1.385 COCCc1ccc(c(c1)Cl)F 7a_100011830478_200000210301 [0,2,0,0,0,0|2,0,0]=4 7192 B12R1.385 COCCc1ccc(c(c1)F)Br 34a_100012921202_200000210301 [0,2,0,0,0,0|2,0,0]=4 7193 B12R1.385 COCCc1ccc(c(c1)F)Br 7a_100012921202_200000210301 [0,2,0,0,0,0|2,0,0]=4 7194 B12R1.385 COCCc1ccc(c(c1)F)Cl 34a_100011934464_200000210301 [0,2,0,0,0,0|2,0,0]=4 7195 B12R1.385 COCCc1ccc(c(c1)F)Cl 7a_100011934464_200000210301 [0,2,0,0,0,0|2,0,0]=4 7196 B12R1.385 COCCc1ccc(c(c1)F)F 34a_100000690376_200000210301 [0,2,0,0,0,0|2,0,0]=4 7197 B12R1.385 COCCc1ccc(c(c1)F)F 34a_100138415774_100000690553 [0,2,0,0,0,0|2,0,0]=4 7198 B12R1.385 COCCc1ccc(c(c1)F)F 7a_100000690376_200000210301 [0,2,0,0,0,0|2,0,0]=4 7199 B12R1.385 COCSc1cc(c(cn1)Br)C 62a_100000766300_100012356354 [0,2,0,0,0,0|2,0,0]=4 7200 B12R1.385 COCSc1cc(c(cn1)Br)C 62a_100012356354_100000766300 [0,2,0,0,0,0|2,0,0]=4 7201 B12R1.385 COCSc1cc(c(cn1)C)C 62a_100000766300_100009850809 [0,2,0,0,0,0|2,0,0]=4 7202 B12R1.385 COCSc1cc(c(cn1)C)C 62a_100009850809_100000766300 [0,2,0,0,0,0|2,0,0]=4 7203 B12R1.385 COCSc1cc(c(cn1)C)F 62a_100000766300_100009841206 [0,2,0,0,0,0|2,0,0]=4 7204 B12R1.385 COCSc1cc(c(cn1)C)F 62a_100009841206_100000766300 [0,2,0,0,0,0|2,0,0]=4 7205 B12R1.385 COCSc1cc(c(cn1)C)N 62a_100000126663_100000766300 [0,2,0,0,0,0|2,0,0]=4 7206 B12R1.385 COCSc1cc(c(cn1)C)N 62a_100000766300_100000126663 [0,2,0,0,0,0|2,0,0]=4 7207 B12R1.385 COCSc1cc(c(cn1)C)O 62a_100000704368_100000766300 [0,2,0,0,0,0|2,0,0]=4 7208 B12R1.385 COCSc1cc(c(cn1)C)O 62a_100000766300_100000704368 [0,2,0,0,0,0|2,0,0]=4 7209 B12R1.385 COCSc1cc(c(cn1)F)C 62a_100000766300_100009818257 [0,2,0,0,0,0|2,0,0]=4 7210 B12R1.385 COCSc1cc(c(cn1)F)C 62a_100009818257_100000766300 [0,2,0,0,0,0|2,0,0]=4 7211 B12R1.385 COCSc1cc(c(cn1)F)N 62a_100000126464_100000766300 [0,2,0,0,0,0|2,0,0]=4 7212 B12R1.385 COCSc1cc(c(cn1)F)N 62a_100000766300_100000126464 [0,2,0,0,0,0|2,0,0]=4 7213 B12R1.385 COCSc1cc(c(cn1)F)O 62a_100000766300_100009854642 [0,2,0,0,0,0|2,0,0]=4 7214 B12R1.385 COCSc1cc(c(cn1)F)O 62a_100009854642_100000766300 [0,2,0,0,0,0|2,0,0]=4 7215 B12R1.385 COCSc1cc(c(cn1)N)C 62a_100000067204_100000766300 [0,2,0,0,0,0|2,0,0]=4 7216 B12R1.385 COCSc1cc(c(cn1)N)C 62a_100000766300_100000067204 [0,2,0,0,0,0|2,0,0]=4 7217 B12R1.385 COCSc1cc(c(cn1)N)N 62a_100000067514_100000766300 [0,2,0,0,0,0|2,0,0]=4 7218 B12R1.385 COCSc1cc(c(cn1)N)N 62a_100000766300_100000067514 [0,2,0,0,0,0|2,0,0]=4 7219 B12R1.385 COCSc1cc(c(cn1)O)C 62a_100000766300_100000692680 [0,2,0,0,0,0|2,0,0]=4 7220 B12R1.385 COCSc1cc(c(cn1)O)N 62a_100000766300_100009819941 [0,2,0,0,0,0|2,0,0]=4 7221 B12R1.385 COCSc1cc(c(cn1)O)N 62a_100009819941_100000766300 [0,2,0,0,0,0|2,0,0]=4 7222 B12R1.385 COCSc1ccc(c(n1)Br)O 62a_100000725334_100000766300 [0,2,0,0,0,0|2,0,0]=4 7223 B12R1.385 COCSc1ccc(c(n1)Br)O 62a_100000766300_100000725334 [0,2,0,0,0,0|2,0,0]=4 7224 B12R1.385 COCSc1ccc(c(n1)C)Br 62a_100000766300_100012360386 [0,2,0,0,0,0|2,0,0]=4 7225 B12R1.385 COCSc1ccc(c(n1)C)Br 62a_100012360386_100000766300 [0,2,0,0,0,0|2,0,0]=4 7226 B12R1.385 COCSc1ccc(c(n1)C)C 62a_100000103781_100000766300 [0,2,0,0,0,0|2,0,0]=4 7227 B12R1.385 COCSc1ccc(c(n1)C)C 62a_100000766300_100000103781 [0,2,0,0,0,0|2,0,0]=4 7228 B12R1.385 COCSc1ccc(c(n1)C)F 62a_100000766300_100009814307 [0,2,0,0,0,0|2,0,0]=4 7229 B12R1.385 COCSc1ccc(c(n1)C)F 62a_100009814307_100000766300 [0,2,0,0,0,0|2,0,0]=4 7230 B12R1.385 COCSc1ccc(c(n1)C)N 62a_100000720120_100000766300 [0,2,0,0,0,0|2,0,0]=4 7231 B12R1.385 COCSc1ccc(c(n1)C)N 62a_100000766300_100000720120 [0,2,0,0,0,0|2,0,0]=4 7232 B12R1.385 COCSc1ccc(c(n1)C)O 62a_100000766300_100010233687 [0,2,0,0,0,0|2,0,0]=4 7233 B12R1.385 COCSc1ccc(c(n1)C)O 62a_100010233687_100000766300 [0,2,0,0,0,0|2,0,0]=4 7234 B12R1.385 COCSc1ccc(c(n1)Cl)N 62a_100000766300_200010233646 [0,2,0,0,0,0|2,0,0]=4 7235 B12R1.385 COCSc1ccc(c(n1)Cl)N 62a_200010233646_100000766300 [0,2,0,0,0,0|2,0,0]=4 7236 B12R1.385 COCSc1ccc(c(n1)Cl)O 62a_100000766300_100000721234 [0,2,0,0,0,0|2,0,0]=4 7237 B12R1.385 COCSc1ccc(c(n1)F)Br 62a_100000766300_100010134343 [0,2,0,0,0,0|2,0,0]=4 7238 B12R1.385 COCSc1ccc(c(n1)F)Br 62a_100010134343_100000766300 [0,2,0,0,0,0|2,0,0]=4 7239 B12R1.385 COCSc1ccc(c(n1)F)N 62a_100000766300_100009856439 [0,2,0,0,0,0|2,0,0]=4 7240 B12R1.385 COCSc1ccc(c(n1)F)N 62a_100009856439_100000766300 [0,2,0,0,0,0|2,0,0]=4 7241 B12R1.385 COCSc1ccc(c(n1)F)O 62a_100000766300_100009819667 [0,2,0,0,0,0|2,0,0]=4 7242 B12R1.385 COCSc1ccc(c(n1)F)O 62a_100009819667_100000766300 [0,2,0,0,0,0|2,0,0]=4 7243 B12R1.385 COCSc1ccc(c(n1)N)C 62a_100000766300_100009857032 [0,2,0,0,0,0|2,0,0]=4 7244 B12R1.385 COCSc1ccc(c(n1)N)C 62a_100009857032_100000766300 [0,2,0,0,0,0|2,0,0]=4 7245 B12R1.385 COCSc1ccc(c(n1)N)F 62a_100000766300_100016091773 [0,2,0,0,0,0|2,0,0]=4 7246 B12R1.385 COCSc1ccc(c(n1)N)F 62a_100016091773_100000766300 [0,2,0,0,0,0|2,0,0]=4 7247 B12R1.385 COCSc1ccc(c(n1)N)N 62a_100000747239_100000766300 [0,2,0,0,0,0|2,0,0]=4 7248 B12R1.385 COCSc1ccc(c(n1)N)O 62a_100000685527_100000766300 [0,2,0,0,0,0|2,0,0]=4 7249 B12R1.385 COCSc1ccc(c(n1)N)O 62a_100000766300_100000685527 [0,2,0,0,0,0|2,0,0]=4 7250 B12R1.385 COCSc1ccc(c(n1)O)F 62a_100000766300_100010729010 [0,2,0,0,0,0|2,0,0]=4 7251 B12R1.385 COCSc1ccc(c(n1)O)N 62a_100000718904_100000766300 [0,2,0,0,0,0|2,0,0]=4 7252 B12R1.385 CSCCc1ccc(c(c1)Cl)Cl 62a_100011713676_200000210301 [0,2,0,0,0,0|2,0,0]=4 7253 B12R1.385 CSCCc1ccc(c(c1)Cl)Cl 62a_200000210301_100011713676 [0,2,0,0,0,0|2,0,0]=4 7254 B12R1.385 CSCCc1ccc(c(c1)Cl)F 62a_100012361305_200000210301 [0,2,0,0,0,0|2,0,0]=4 7255 B12R1.385 CSCCc1ccc(c(c1)Cl)F 62a_200000210301_100012361305 [0,2,0,0,0,0|2,0,0]=4 7256 B12R1.385 CSCCc1ccc(c(c1)F)F 62a_100000690553_200000210301 [0,2,0,0,0,0|2,0,0]=4 7257 B12R1.385 CSCCc1ccc(c(c1)F)F 62a_200000210301_100000690553 [0,2,0,0,0,0|2,0,0]=4 7258 B12R1.385 CSCCc1ccc(c(c1)O)O 62a_200000210301_200010393615 [0,2,0,0,0,0|2,0,0]=4 7259 B12R1.385 CSCOc1cc(c(cn1)Br)C 34a_100000766222_100011218213 [0,2,0,0,0,0|2,0,0]=4 7260 B12R1.385 CSCOc1cc(c(cn1)Br)Cl 34a_100010369989_100011218213 [0,2,0,0,0,0|2,0,0]=4 7261 B12R1.385 CSCOc1cc(c(cn1)C)Br 34a_100009831917_100011218213 [0,2,0,0,0,0|2,0,0]=4 7262 B12R1.385 CSCOc1cc(c(cn1)Cl)C 34a_200000085746_100011218213 [0,2,0,0,0,0|2,0,0]=4 7263 B12R1.385 CSCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100011218213 [0,2,0,0,0,0|2,0,0]=4 7264 B12R1.385 CSCOc1ccc(c(n1)C)Br 34a_100000691680_100011218213 [0,2,0,0,0,0|2,0,0]=4 7265 B12R1.385 CSCOc1ccc(c(n1)C)Cl 34a_200009863735_100011218213 [0,2,0,0,0,0|2,0,0]=4 7266 B12R1.385 CSCOc1ccc(c(n1)F)Br 34a_100009879308_100011218213 [0,2,0,0,0,0|2,0,0]=4 7267 B12R1.385 CSCSc1cc(c(cn1)Br)C 62a_100011218213_100012356354 [0,2,0,0,0,0|2,0,0]=4 7268 B12R1.385 CSCSc1cc(c(cn1)Br)C 62a_100012356354_100011218213 [0,2,0,0,0,0|2,0,0]=4 7269 B12R1.385 CSCSc1cc(c(cn1)C)C 62a_100009850809_100011218213 [0,2,0,0,0,0|2,0,0]=4 7270 B12R1.385 CSCSc1cc(c(cn1)C)C 62a_100011218213_100009850809 [0,2,0,0,0,0|2,0,0]=4 7271 B12R1.385 CSCSc1cc(c(cn1)C)F 62a_100009841206_100011218213 [0,2,0,0,0,0|2,0,0]=4 7272 B12R1.385 CSCSc1cc(c(cn1)C)F 62a_100011218213_100009841206 [0,2,0,0,0,0|2,0,0]=4 7273 B12R1.385 CSCSc1cc(c(cn1)C)N 62a_100000126663_100011218213 [0,2,0,0,0,0|2,0,0]=4 7274 B12R1.385 CSCSc1cc(c(cn1)C)N 62a_100011218213_100000126663 [0,2,0,0,0,0|2,0,0]=4 7275 B12R1.385 CSCSc1cc(c(cn1)C)O 62a_100000704368_100011218213 [0,2,0,0,0,0|2,0,0]=4 7276 B12R1.385 CSCSc1cc(c(cn1)C)O 62a_100011218213_100000704368 [0,2,0,0,0,0|2,0,0]=4 7277 B12R1.385 CSCSc1cc(c(cn1)F)C 62a_100009818257_100011218213 [0,2,0,0,0,0|2,0,0]=4 7278 B12R1.385 CSCSc1cc(c(cn1)F)C 62a_100011218213_100009818257 [0,2,0,0,0,0|2,0,0]=4 7279 B12R1.385 CSCSc1cc(c(cn1)F)N 62a_100000126464_100011218213 [0,2,0,0,0,0|2,0,0]=4 7280 B12R1.385 CSCSc1cc(c(cn1)F)N 62a_100011218213_100000126464 [0,2,0,0,0,0|2,0,0]=4 7281 B12R1.385 CSCSc1cc(c(cn1)F)O 62a_100009854642_100011218213 [0,2,0,0,0,0|2,0,0]=4 7282 B12R1.385 CSCSc1cc(c(cn1)F)O 62a_100011218213_100009854642 [0,2,0,0,0,0|2,0,0]=4 7283 B12R1.385 CSCSc1cc(c(cn1)N)C 62a_100000067204_100011218213 [0,2,0,0,0,0|2,0,0]=4 7284 B12R1.385 CSCSc1cc(c(cn1)N)C 62a_100011218213_100000067204 [0,2,0,0,0,0|2,0,0]=4 7285 B12R1.385 CSCSc1cc(c(cn1)N)N 62a_100000067514_100011218213 [0,2,0,0,0,0|2,0,0]=4 7286 B12R1.385 CSCSc1cc(c(cn1)N)N 62a_100011218213_100000067514 [0,2,0,0,0,0|2,0,0]=4 7287 B12R1.385 CSCSc1cc(c(cn1)O)C 62a_100011218213_100000692680 [0,2,0,0,0,0|2,0,0]=4 7288 B12R1.385 CSCSc1cc(c(cn1)O)N 62a_100009819941_100011218213 [0,2,0,0,0,0|2,0,0]=4 7289 B12R1.385 CSCSc1cc(c(cn1)O)N 62a_100011218213_100009819941 [0,2,0,0,0,0|2,0,0]=4 7290 B12R1.385 CSCSc1ccc(c(n1)Br)O 62a_100000725334_100011218213 [0,2,0,0,0,0|2,0,0]=4 7291 B12R1.385 CSCSc1ccc(c(n1)Br)O 62a_100011218213_100000725334 [0,2,0,0,0,0|2,0,0]=4 7292 B12R1.385 CSCSc1ccc(c(n1)C)Br 62a_100011218213_100012360386 [0,2,0,0,0,0|2,0,0]=4 7293 B12R1.385 CSCSc1ccc(c(n1)C)Br 62a_100012360386_100011218213 [0,2,0,0,0,0|2,0,0]=4 7294 B12R1.385 CSCSc1ccc(c(n1)C)C 62a_100000103781_100011218213 [0,2,0,0,0,0|2,0,0]=4 7295 B12R1.385 CSCSc1ccc(c(n1)C)C 62a_100011218213_100000103781 [0,2,0,0,0,0|2,0,0]=4 7296 B12R1.385 CSCSc1ccc(c(n1)C)F 62a_100009814307_100011218213 [0,2,0,0,0,0|2,0,0]=4 7297 B12R1.385 CSCSc1ccc(c(n1)C)F 62a_100011218213_100009814307 [0,2,0,0,0,0|2,0,0]=4 7298 B12R1.385 CSCSc1ccc(c(n1)C)N 62a_100000720120_100011218213 [0,2,0,0,0,0|2,0,0]=4 7299 B12R1.385 CSCSc1ccc(c(n1)C)N 62a_100011218213_100000720120 [0,2,0,0,0,0|2,0,0]=4 7300 B12R1.385 CSCSc1ccc(c(n1)C)O 62a_100010233687_100011218213 [0,2,0,0,0,0|2,0,0]=4 7301 B12R1.385 CSCSc1ccc(c(n1)C)O 62a_100011218213_100010233687 [0,2,0,0,0,0|2,0,0]=4 7302 B12R1.385 CSCSc1ccc(c(n1)Cl)N 62a_100011218213_200010233646 [0,2,0,0,0,0|2,0,0]=4 7303 B12R1.385 CSCSc1ccc(c(n1)Cl)N 62a_200010233646_100011218213 [0,2,0,0,0,0|2,0,0]=4 7304 B12R1.385 CSCSc1ccc(c(n1)Cl)O 62a_100011218213_100000721234 [0,2,0,0,0,0|2,0,0]=4 7305 B12R1.385 CSCSc1ccc(c(n1)F)Br 62a_100010134343_100011218213 [0,2,0,0,0,0|2,0,0]=4 7306 B12R1.385 CSCSc1ccc(c(n1)F)Br 62a_100011218213_100010134343 [0,2,0,0,0,0|2,0,0]=4 7307 B12R1.385 CSCSc1ccc(c(n1)F)N 62a_100009856439_100011218213 [0,2,0,0,0,0|2,0,0]=4 7308 B12R1.385 CSCSc1ccc(c(n1)F)N 62a_100011218213_100009856439 [0,2,0,0,0,0|2,0,0]=4 7309 B12R1.385 CSCSc1ccc(c(n1)F)O 62a_100009819667_100011218213 [0,2,0,0,0,0|2,0,0]=4 7310 B12R1.385 CSCSc1ccc(c(n1)F)O 62a_100011218213_100009819667 [0,2,0,0,0,0|2,0,0]=4 7311 B12R1.385 CSCSc1ccc(c(n1)N)C 62a_100009857032_100011218213 [0,2,0,0,0,0|2,0,0]=4 7312 B12R1.385 CSCSc1ccc(c(n1)N)C 62a_100011218213_100009857032 [0,2,0,0,0,0|2,0,0]=4 7313 B12R1.385 CSCSc1ccc(c(n1)N)F 62a_100011218213_100016091773 [0,2,0,0,0,0|2,0,0]=4 7314 B12R1.385 CSCSc1ccc(c(n1)N)F 62a_100016091773_100011218213 [0,2,0,0,0,0|2,0,0]=4 7315 B12R1.385 CSCSc1ccc(c(n1)N)N 62a_100000747239_100011218213 [0,2,0,0,0,0|2,0,0]=4 7316 B12R1.385 CSCSc1ccc(c(n1)N)O 62a_100000685527_100011218213 [0,2,0,0,0,0|2,0,0]=4 7317 B12R1.385 CSCSc1ccc(c(n1)N)O 62a_100011218213_100000685527 [0,2,0,0,0,0|2,0,0]=4 7318 B12R1.385 CSCSc1ccc(c(n1)O)F 62a_100011218213_100010729010 [0,2,0,0,0,0|2,0,0]=4 7319 B12R1.385 CSCSc1ccc(c(n1)O)N 62a_100000718904_100011218213 [0,2,0,0,0,0|2,0,0]=4 7320 B12R1.385 Cc1ccc(cc1C)CCN[13CH3] 2230a_100020591374_200025704644 [0,2,0,0,0,0|1,0,0]=3 7321 B12R1.385 Cc1ccc(cc1C)CCN[13CH3] 34a_100020591374_200025704644 [0,2,0,0,0,0|1,0,0]=3 7322 B12R1.385 [13CH3]NCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_200025704644 [0,2,0,0,0,0|1,0,0]=3 7323 B12R1.385 [13CH3]NCCc1ccc(c(c1)Cl)Cl 34a_100011207230_200025704644 [0,2,0,0,0,0|1,0,0]=3 7324 B12R1.385 [13CH3]NCCc1ccc(c(c1)Cl)F 2230a_200011997520_200025704644 [0,2,0,0,0,0|1,0,0]=3 7325 B12R1.385 [13CH3]NCCc1ccc(c(c1)Cl)F 34a_200011997520_200025704644 [0,2,0,0,0,0|1,0,0]=3 7326 B12R1.385 [13CH3]NCCc1ccc(c(c1)F)F 2230a_200000706328_200025704644 [0,2,0,0,0,0|1,0,0]=3 7327 B12R1.385 [13CH3]NCCc1ccc(c(c1)F)F 34a_200000706328_200025704644 [0,2,0,0,0,0|1,0,0]=3 7328 B12R1.385 [13CH3]NCCc1ccc(c(c1)O)O 34a_100000210387_200025704644 [0,2,0,0,0,0|1,0,0]=3 7329 B12R1.385 [13CH3]OCCc1ccc(c(c1)Cl)Cl 34a_100011709245_200025704644 [0,2,0,0,0,0|2,0,0]=4 7330 B12R1.385 [13CH3]OCCc1ccc(c(c1)Cl)Cl 7a_100011709245_200025704644 [0,2,0,0,0,0|2,0,0]=4 7331 B12R1.385 [13CH3]OCCc1ccc(c(c1)Cl)F 34a_100011830478_200025704644 [0,2,0,0,0,0|2,0,0]=4 7332 B12R1.385 [13CH3]OCCc1ccc(c(c1)Cl)F 7a_100011830478_200025704644 [0,2,0,0,0,0|2,0,0]=4 7333 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)Br 34a_100012921202_200025704644 [0,2,0,0,0,0|2,0,0]=4 7334 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)Br 7a_100012921202_200025704644 [0,2,0,0,0,0|2,0,0]=4 7335 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)Cl 34a_100011934464_200025704644 [0,2,0,0,0,0|2,0,0]=4 7336 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)Cl 7a_100011934464_200025704644 [0,2,0,0,0,0|2,0,0]=4 7337 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)F 34a_100000690376_200025704644 [0,2,0,0,0,0|2,0,0]=4 7338 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)F 7a_100000690376_200025704644 [0,2,0,0,0,0|2,0,0]=4 7339 B12R1.385 [13CH3]SCCc1ccc(c(c1)Cl)Cl 62a_100011713676_200025704644 [0,2,0,0,0,0|2,0,0]=4 7340 B12R1.385 [13CH3]SCCc1ccc(c(c1)Cl)Cl 62a_200025704644_100011713676 [0,2,0,0,0,0|2,0,0]=4 7341 B12R1.385 [13CH3]SCCc1ccc(c(c1)Cl)F 62a_100012361305_200025704644 [0,2,0,0,0,0|2,0,0]=4 7342 B12R1.385 [13CH3]SCCc1ccc(c(c1)Cl)F 62a_200025704644_100012361305 [0,2,0,0,0,0|2,0,0]=4 7343 B12R1.385 [13CH3]SCCc1ccc(c(c1)F)F 62a_100000690553_200025704644 [0,2,0,0,0,0|2,0,0]=4 7344 B12R1.385 [13CH3]SCCc1ccc(c(c1)F)F 62a_200025704644_100000690553 [0,2,0,0,0,0|2,0,0]=4 7345 B12R1.385 [13CH3]SCCc1ccc(c(c1)O)O 62a_200025704644_200010393615 [0,2,0,0,0,0|2,0,0]=4 7346 B12R1.3 CCC(CNC)c1ccccc1 270004a_106832991635_100000753018 [0,2,0,0,0,0|1,0,0]=3 7347 B12R1.3 CCC(COC)c1ccccc1 34a_100000752371_200000210301 [0,2,0,0,0,0|2,0,0]=4 7348 B12R1.3 CCC(COC)c1ccccc1 7a_100000752371_200000210301 [0,2,0,0,0,0|2,0,0]=4 7349 B12R1.3 CCC(CO[13CH3])c1ccccc1 34a_100000752371_200025704644 [0,2,0,0,0,0|2,0,0]=4 7350 B12R1.3 CCC(CO[13CH3])c1ccccc1 7a_100000752371_200025704644 [0,2,0,0,0,0|2,0,0]=4 7351 B12R1.3 CCCC(NC)c1ccccc1 2230a_100000189686_200000210301 [0,2,0,0,0,0|2,0,0]=4 7352 B12R1.3 CCCC(NC)c1ccccc1 269862a_106832991636_100000211045 [0,2,0,0,0,0|2,0,0]=4 7353 B12R1.3 CCCC(NC)c1ccccc1 34a_100000189686_200000210301 [0,2,0,0,0,0|2,0,0]=4 7354 B12R1.3 CCCC(NC)c1ccccn1 269862a_106832991636_100000751832 [0,2,0,0,0,0|1,0,0]=3 7355 B12R1.3 CCCC(N[13CH3])c1ccccc1 2230a_100000189686_200025704644 [0,2,0,0,0,0|2,0,0]=4 7356 B12R1.3 CCCC(N[13CH3])c1ccccc1 34a_100000189686_200025704644 [0,2,0,0,0,0|2,0,0]=4 7357 B12R1.3 CCCC(OC)c1ccccc1 34a_100000747916_200000210301 [0,2,0,0,0,0|2,0,0]=4 7358 B12R1.3 CCCC(OC)c1ccccc1 7a_100000747916_200000210301 [0,2,0,0,0,0|2,0,0]=4 7359 B12R1.3 CCCC(O[13CH3])c1ccccc1 34a_100000747916_200025704644 [0,2,0,0,0,0|2,0,0]=4 7360 B12R1.3 CCCC(O[13CH3])c1ccccc1 7a_100000747916_200025704644 [0,2,0,0,0,0|2,0,0]=4 7361 B12R1.3 CCNC(CC)c1ccccn1 2230a_100015186561_100000210202 [0,2,0,0,0,0|2,0,0]=4 7362 B12R1.3 CCNC(CC)c1ccccn1 269862a_100015525214_100000748178 [0,2,0,0,0,0|2,0,0]=4 7363 B12R1.3 CCNC(CO)c1ccccn1 2230a_100015196888_100000210202 [0,2,0,0,0,0|2,0,0]=4 7364 B12R1.3 CNC(COC)c1ccccc1 269862a_106832991636_100000765260 [0,2,0,0,0,0|2,0,0]=4 7365 B12R1.3 CN[C@H](COC)c1ccccc1 2230a_103619048568_200000210301 [0,2,0,0,0,0|2,0,0]=4 7366 B12R1.3 CN[C@H](COC)c1ccccc1 34a_103619048568_200000210301 [0,2,0,0,0,0|2,0,0]=4 7367 B12R1.3 COC(CO[13CH3])c1ccccc1 34a_100011215540_200025704644 [0,2,0,0,0,0|2,0,0]=4 7368 B12R1.3 COC(CO[13CH3])c1ccccc1 7a_100011215540_200025704644 [0,2,0,0,0,0|2,0,0]=4 7369 B12R1.3 COCC(OC)c1ccccc1 34a_100011215540_200000210301 [0,2,0,0,0,0|2,0,0]=4 7370 B12R1.3 COCC(OC)c1ccccc1 7a_100011215540_200000210301 [0,2,0,0,0,0|2,0,0]=4 7371 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 2230a_103619048568_200025704644 [0,2,0,0,0,0|2,0,0]=4 7372 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 34a_103619048568_200025704644 [0,2,0,0,0,0|2,0,0]=4 7373 B12R1.17 CCCN(C)c1cc(ccn1)F 27a_100000747261_100000764206 [0,2,0,0,0,0|2,0,0]=4 7374 B12R1.17 CCCN(C)c1cccc(n1)F 27a_100000747261_100009815982 [0,2,0,0,0,0|2,0,0]=4 7375 B12R1.17 CCNC(C)c1cc(ccn1)Br 269862a_100015525214_100000709912 [0,2,0,0,0,0|2,0,0]=4 7376 B12R1.17 CCNC(C)c1cc(ccn1)Br 270004a_100015525214_100000709912 [0,2,0,0,0,0|2,0,0]=4 7377 B12R1.17 CCNC(C)c1cc(ccn1)C 2230a_100011933787_100000210202 [0,2,0,0,0,0|2,0,0]=4 7378 B12R1.17 CCNC(C)c1cc(ccn1)C 269862a_100015525214_100000728896 [0,2,0,0,0,0|2,0,0]=4 7379 B12R1.17 CCNC(C)c1cc(ccn1)C 270004a_100015525214_100000728896 [0,2,0,0,0,0|2,0,0]=4 7380 B12R1.17 CCNC(C)c1cc(ccn1)Cl 269862a_100015525214_100000099826 [0,2,0,0,0,0|2,0,0]=4 7381 B12R1.17 CCNC(C)c1cc(ccn1)Cl 270004a_100015525214_100000099826 [0,2,0,0,0,0|2,0,0]=4 7382 B12R1.17 CCNC(C)c1cccc(n1)Br 2230a_200010173468_100000210202 [0,2,0,0,0,0|2,0,0]=4 7383 B12R1.17 CCNC(C)c1cccc(n1)Br 269862a_100015525214_100009816502 [0,2,0,0,0,0|2,0,0]=4 7384 B12R1.17 CCNC(C)c1cccc(n1)C 2230a_100011877385_100000210202 [0,2,0,0,0,0|2,0,0]=4 7385 B12R1.17 CCNC(C)c1cccc(n1)C 269862a_100015525214_100011877301 [0,2,0,0,0,0|2,0,0]=4 7386 B12R1.17 CCNC(C)c1cccc(n1)Cl 269862a_100015525214_100000085735 [0,2,0,0,0,0|2,0,0]=4 7387 B12R1.17 CCNC(C)c1cccc(n1)F 269862a_100015525214_100000092306 [0,2,0,0,0,0|2,0,0]=4 7388 B12R1.17 CCN[C@@H](C)c1cccc(n1)F 2230a_100025709760_100000210202 [0,2,0,0,0,0|2,0,0]=4 7389 B12R1.17 CCN[C@@H](C)c1cccc(n1)F 34a_100025709760_100000210202 [0,2,0,0,0,0|2,0,0]=4 7390 B12R1.17 CCOC(C)c1cc(ccn1)Cl 7a_100000144657_100000210202 [0,2,0,0,0,0|2,0,0]=4 7391 B12R1.17 CCOC(C)c1cccc(n1)Br 7a_100009820884_100000210202 [0,2,0,0,0,0|2,0,0]=4 7392 B12R1.17 CCOC(C)c1cccc(n1)C 34a_200011877368_100000210202 [0,2,0,0,0,0|2,0,0]=4 7393 B12R1.17 CCOC(C)c1cccc(n1)C 7a_200011877368_100000210202 [0,2,0,0,0,0|2,0,0]=4 7394 B12R1.17 CNCC(=O)c1cccc(c1)Br 2230a_106832991635_100000212080 [0,2,0,0,0,0|1,0,1]=4 7395 B12R1.17 CNCC(=O)c1cccc(c1)Br 34a_100102657272_100000212080 [0,2,0,0,0,0|1,0,1]=4 7396 B12R1.17 CNCC(=O)c1cccc(c1)Br 7a_106832991635_100000212080 [0,2,0,0,0,0|1,0,1]=4 7397 B12R1.17 CNCC(=O)c1cccc(c1)C 2230a_106832991635_100000739480 [0,2,0,0,0,0|1,0,1]=4 7398 B12R1.17 CNCC(=O)c1cccc(c1)C 34a_100102657272_100000739480 [0,2,0,0,0,0|1,0,1]=4 7399 B12R1.17 CNCC(=O)c1cccc(c1)C 7a_106832991635_100000739480 [0,2,0,0,0,0|1,0,1]=4 7400 B12R1.17 CNCC(=O)c1cccc(c1)Cl 2230a_106832991635_100000211444 [0,2,0,0,0,0|1,0,1]=4 7401 B12R1.17 CNCC(=O)c1cccc(c1)Cl 34a_100102657272_100000211444 [0,2,0,0,0,0|1,0,1]=4 7402 B12R1.17 CNCC(=O)c1cccc(c1)Cl 7a_106832991635_100000211444 [0,2,0,0,0,0|1,0,1]=4 7403 B12R1.17 CNCC(=O)c1cccc(c1)F 2230a_106832991635_100000215616 [0,2,0,0,0,0|1,0,1]=4 7404 B12R1.17 CNCC(=O)c1cccc(c1)F 34a_100102657272_100000215616 [0,2,0,0,0,0|1,0,1]=4 7405 B12R1.17 CNCC(=O)c1cccc(c1)O 34a_100102657272_100009813753 [0,2,0,0,0,0|1,0,1]=4 7406 B12R1.17 CNCC(=O)c1cccc(c1)O 7a_106832991635_100009813753 [0,2,0,0,0,0|1,0,1]=4 7407 B12R1.17 CNCC(O)c1cccc(c1)O 2230a_100020657549_200000210301 [0,2,0,0,0,0|1,0,0]=3 7408 B12R1.17 CNCC(O)c1cccc(c1)O 271570a_203496583355_200000733937 [0,2,0,0,0,0|1,0,0]=3 7409 B12R1.17 CNCC(O)c1cccc(c1)O 34a_100020657549_200000210301 [0,2,0,0,0,0|1,0,0]=3 7410 B12R1.17 COCC(N)c1cccc(c1)Br 34a_100000690078_200000210301 [0,2,0,0,0,0|2,0,0]=4 7411 B12R1.17 COCC(N)c1cccc(n1)F 34a_200020642391_200000210301 [0,2,0,0,0,0|1,0,0]=3 7412 B12R1.17 COC[C@@H](N)c1cccc(c1)C 34a_100009818812_200000210301 [0,2,0,0,0,0|2,0,0]=4 7413 B12R1.17 COC[C@@H](N)c1cccc(c1)F 34a_100020641251_200000210301 [0,2,0,0,0,0|2,0,0]=4 7414 B12R1.17 COC[C@H](N)c1cccc(c1)Cl 34a_100032004910_200000210301 [0,2,0,0,0,0|2,0,0]=4 7415 B12R1.17 Cc1cccc(c1)[C@H](N)CO[13CH3] 34a_100009818812_200025704644 [0,2,0,0,0,0|2,0,0]=4 7416 B12R1.17 [13CH3]NCC(O)c1cccc(c1)O 2230a_100020657549_200025704644 [0,2,0,0,0,0|1,0,0]=3 7417 B12R1.17 [13CH3]NCC(O)c1cccc(c1)O 34a_100020657549_200025704644 [0,2,0,0,0,0|1,0,0]=3 7418 B12R1.17 [13CH3]OCC(N)c1cccc(c1)Br 34a_100000690078_200025704644 [0,2,0,0,0,0|2,0,0]=4 7419 B12R1.17 [13CH3]OCC(N)c1cccc(n1)F 34a_200020642391_200025704644 [0,2,0,0,0,0|1,0,0]=3 7420 B12R1.17 [13CH3]OC[C@@H](N)c1cccc(c1)F 34a_100020641251_200025704644 [0,2,0,0,0,0|2,0,0]=4 7421 B12R1.17 [13CH3]OC[C@H](N)c1cccc(c1)Cl 34a_100032004910_200025704644 [0,2,0,0,0,0|2,0,0]=4 7422 B12R1.30 C#CCNC(C)c1ccccn1 2230a_100000181244_100000038162 [0,2,0,0,0,0|1,0,1]=4 7423 B12R1.30 C=CCNC(C)c1ccccn1 2230a_100000181244_100000210623 [0,2,0,0,0,0|1,0,1]=4 7424 B12R1.30 CC(CNCF)c1ccccc1 34a_100000701038_100015361967 [0,2,0,0,0,0|1,0,0]=3 7425 B12R1.30 CC(COCF)c1ccccc1 34a_100011215166_100015361967 [0,2,0,0,0,0|2,0,0]=4 7426 B12R1.30 CC(COCF)c1ccccc1 7a_100011215166_100015361967 [0,2,0,0,0,0|2,0,0]=4 7427 B12R1.30 CC(CSCF)c1ccccc1 62a_100000756946_100015361967 [0,2,0,0,0,0|2,0,0]=4 7428 B12R1.30 CC(CSCF)c1ccccc1 62a_100015361967_100000756946 [0,2,0,0,0,0|2,0,0]=4 7429 B12R1.30 CC(NCC#N)c1ccccn1 2230a_100000181244_100011215382 [0,2,0,0,0,0|2,0,0]=4 7430 B12R1.30 CC(NCC=O)c1ccccn1 2230a_100000181244_200015260668 [0,2,0,0,0,0|2,0,0]=4 7431 B12R1.30 CC(NCCF)c1ccccn1 2230a_100000181244_100011217306 [0,2,0,0,0,0|2,0,0]=4 7432 B12R1.30 CC(NCCF)c1ccccn1 269862a_100000724931_100000210467 [0,2,0,0,0,0|2,0,0]=4 7433 B12R1.30 CC(NCCO)c1ccccn1 2230a_100000181244_100000211926 [0,2,0,0,0,0|2,0,0]=4 7434 B12R1.30 CC(NCCO)c1ccccn1 269862a_100000210304_100000210467 [0,2,0,0,0,0|2,0,0]=4 7435 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [0,2,0,0,0,0|2,0,0]=4 7436 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000210012_100000210211 [0,2,0,0,0,0|2,0,0]=4 7437 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000211623_200000210301 [0,2,0,0,0,0|2,0,0]=4 7438 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000210012_100000210211 [0,2,0,0,0,0|2,0,0]=4 7439 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000211623_200000210301 [0,2,0,0,0,0|2,0,0]=4 7440 B12R1.30 CCCCN(C)c1ccccc1 34a_100000210012_100000210210 [0,2,0,0,0,0|2,0,0]=4 7441 B12R1.30 CCCCN(C)c1ccccc1 34a_100000211623_200000210301 [0,2,0,0,0,0|2,0,0]=4 7442 B12R1.30 CCCCN(C)c1cccnn1 27a_100000207549_100016991348 [0,2,0,0,0,0|2,0,0]=4 7443 B12R1.30 CCCCN(C)c1ccncn1 27a_100000207549_100000703185 [0,2,0,0,0,0|2,0,0]=4 7444 B12R1.30 CCCCN(C)c1cnccn1 27a_100000207549_100000211759 [0,2,0,0,0,0|2,0,0]=4 7445 B12R1.30 CCCCN(C)c1ncccn1 27a_100000207549_100000211032 [0,2,0,0,0,0|2,0,0]=4 7446 B12R1.30 CCCCN([13CH3])c1ccccc1 2230a_100000211623_200025704644 [0,2,0,0,0,0|2,0,0]=4 7447 B12R1.30 CCCCN([13CH3])c1ccccc1 269982a_100000211623_200025704644 [0,2,0,0,0,0|2,0,0]=4 7448 B12R1.30 CCCCN([13CH3])c1ccccc1 34a_100000211623_200025704644 [0,2,0,0,0,0|2,0,0]=4 7449 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [0,2,0,0,0,0|2,0,0]=4 7450 B12R1.30 CCCNC(C)c1ccccn1 2230a_100000181244_100000210303 [0,2,0,0,0,0|1,0,0]=3 7451 B12R1.30 CCCNC(C)c1ccccn1 269862a_100020643023_100000210467 [0,2,0,0,0,0|1,0,0]=3 7452 B12R1.30 CCCNC(C)c1cccnn1 269862a_100020643023_100009866853 [0,2,0,0,0,0|2,0,0]=4 7453 B12R1.30 CCCNC(C)c1cnccn1 269862a_100020643023_100000751083 [0,2,0,0,0,0|2,0,0]=4 7454 B12R1.30 CCCNC(C)c1ncccn1 2230a_100020641698_100000210303 [0,2,0,0,0,0|2,0,0]=4 7455 B12R1.30 CCCNC(C)c1ncccn1 270004a_100020643023_100011350828 [0,2,0,0,0,0|2,0,0]=4 7456 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [0,2,0,0,0,0|2,0,0]=4 7457 B12R1.30 CCCN[C@H](C)c1cnccn1 2230a_100020589798_100000210303 [0,2,0,0,0,0|2,0,0]=4 7458 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [0,2,0,0,0,0|2,0,0]=4 7459 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [0,2,0,0,0,0|2,0,0]=4 7460 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [0,2,0,0,0,0|2,0,0]=4 7461 B12R1.30 CCCSC(C)c1ccccc1 62a_100000210303_100000230085 [0,2,0,0,0,0|2,0,0]=4 7462 B12R1.30 CCCSC(C)c1ccccc1 62a_100000230085_100000210303 [0,2,0,0,0,0|2,0,0]=4 7463 B12R1.30 CCCSC(C)c1cnccn1 62a_100000210303_200000703233 [0,2,0,0,0,0|2,0,0]=4 7464 B12R1.30 CCCSC(C)c1cnccn1 62a_200000703233_100000210303 [0,2,0,0,0,0|2,0,0]=4 7465 B12R1.30 CCNCC(C)c1ccccc1 2230a_100000701038_100000210202 [0,2,0,0,0,0|1,0,0]=3 7466 B12R1.30 CCNCC(C)c1ccccc1 2230a_100015525214_100000756946 [0,2,0,0,0,0|1,0,0]=3 7467 B12R1.30 CCNCC(C)c1ccccc1 270004a_100015525214_100000212034 [0,2,0,0,0,0|1,0,0]=3 7468 B12R1.30 CCNCC(C)c1ccccc1 34a_100000701038_100000210202 [0,2,0,0,0,0|1,0,0]=3 7469 B12R1.30 CCNCC(O)c1ccccc1 2230a_100000210709_100000210202 [0,2,0,0,0,0|1,0,0]=3 7470 B12R1.30 CCNCC(O)c1ccccc1 2230a_100015525214_100000185958 [0,2,0,0,0,0|1,0,0]=3 7471 B12R1.30 CCNCC(O)c1ccccn1 2230a_100000691469_100000210202 [0,2,0,0,0,0|0,0,0]=2 7472 B12R1.30 CCNCC(O)c1cccnc1 2230a_100020605170_100000210202 [0,2,0,0,0,0|2,0,0]=4 7473 B12R1.30 CCNC[C@@H](O)c1ccccc1 2230a_100015525214_100011933945 [0,2,0,0,0,0|1,0,0]=3 7474 B12R1.30 CCNN=C(C)c1ccccn1 4a_100000756455_100000210467 [0,2,0,0,0,0|1,0,1]=4 7475 B12R1.30 CCOCC(=O)c1ccccn1 34a_100121572206_100000027445 [0,2,0,0,0,0|1,0,1]=4 7476 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [0,2,0,0,0,0|2,0,0]=4 7477 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [0,2,0,0,0,0|2,0,0]=4 7478 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [0,2,0,0,0,0|2,0,0]=4 7479 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [0,2,0,0,0,0|2,0,0]=4 7480 B12R1.30 CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210202 [0,2,0,0,0,0|2,0,0]=4 7481 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [0,2,0,0,0,0|2,0,0]=4 7482 B12R1.30 CCSCC(=O)c1ccccn1 62a_100000027445_100000210202 [0,2,0,0,0,0|1,0,1]=4 7483 B12R1.30 CCSCC(=O)c1ccccn1 62a_100000210202_100000027445 [0,2,0,0,0,0|1,0,1]=4 7484 B12R1.30 CCSCC(C)c1ccccc1 62a_100000210202_100000756946 [0,2,0,0,0,0|2,0,0]=4 7485 B12R1.30 CCSCC(C)c1ccccc1 62a_100000756946_100000210202 [0,2,0,0,0,0|2,0,0]=4 7486 B12R1.30 CCSCC(O)c1ccccc1 62a_100000185958_100000210202 [0,2,0,0,0,0|2,0,0]=4 7487 B12R1.30 CCSCC(O)c1ccccc1 62a_100000210202_100000185958 [0,2,0,0,0,0|2,0,0]=4 7488 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100000210202_100011933945 [0,2,0,0,0,0|2,0,0]=4 7489 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210202 [0,2,0,0,0,0|2,0,0]=4 7490 B12R1.30 CNCCC(=O)c1ccccc1 2230a_106832991635_100000750707 [0,2,0,0,0,0|1,0,0]=3 7491 B12R1.30 CNCCC(=O)c1ccccc1 7a_106832991635_100000750707 [0,2,0,0,0,0|1,0,0]=3 7492 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [0,2,0,0,0,0|1,0,0]=3 7493 B12R1.30 CNCCC(O)c1ccccc1 2230a_100000763605_200000210301 [0,2,0,0,0,0|1,0,0]=3 7494 B12R1.30 CNCCS(=O)c1ccccc1 2230a_106832991635_100000740319 [0,2,0,0,0,0|1,0,0]=3 7495 B12R1.30 CNCCS(=O)c1ccccc1 7a_106832991635_100000740319 [0,2,0,0,0,0|1,0,0]=3 7496 B12R1.30 CNCC[C@@H](O)c1ccccc1 2230a_106832991635_100000729684 [0,2,0,0,0,0|1,0,0]=3 7497 B12R1.30 CNCC[C@@H](O)c1ccccc1 34a_100102657272_100000729684 [0,2,0,0,0,0|1,0,0]=3 7498 B12R1.30 CNCC[C@@H](O)c1ccccc1 7a_106832991635_100000729684 [0,2,0,0,0,0|1,0,0]=3 7499 B12R1.30 CNCOC(=O)c1ccccc1 7a_106832991635_100000073877 [0,2,0,0,0,0|1,0,1]=4 7500 B12R1.30 COCCC(=O)c1ccccc1 1458a_100000185807_100000233755 [0,2,0,0,0,0|2,0,0]=4 7501 B12R1.30 COCCN(C)c1ccccc1 2230a_100000210012_100011201679 [0,2,0,0,0,0|2,0,0]=4 7502 B12R1.30 COCCN(C)c1ccccc1 269982a_100000210012_100000233755 [0,2,0,0,0,0|2,0,0]=4 7503 B12R1.30 COCCN(C)c1ccccc1 34a_100000210012_100011201679 [0,2,0,0,0,0|2,0,0]=4 7504 B12R1.30 COCCN(C)c1cccnn1 27a_100000743101_100016991348 [0,2,0,0,0,0|2,0,0]=4 7505 B12R1.30 COCCN(C)c1ccncn1 27a_100000743101_100000703185 [0,2,0,0,0,0|2,0,0]=4 7506 B12R1.30 COCCN(C)c1cnccn1 27a_100000743101_100000211759 [0,2,0,0,0,0|2,0,0]=4 7507 B12R1.30 COCCN(C)c1ncccn1 27a_100000743101_100000211032 [0,2,0,0,0,0|2,0,0]=4 7508 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [0,2,0,0,0,0|2,0,0]=4 7509 B12R1.30 COCC[C@H](N)c1ccccc1 34a_100025705951_200000210301 [0,2,0,0,0,0|2,0,0]=4 7510 B12R1.30 COCNC(C)c1ccccn1 2230a_100000181244_100000766300 [0,2,0,0,0,0|1,0,0]=3 7511 B12R1.30 COCNC(C)c1ncccn1 2230a_100020641698_100000766300 [0,2,0,0,0,0|2,0,0]=4 7512 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [0,2,0,0,0,0|2,0,0]=4 7513 B12R1.30 COCN[C@H](C)c1cnccn1 2230a_100020589798_100000766300 [0,2,0,0,0,0|2,0,0]=4 7514 B12R1.30 COCSC(C)c1ccccc1 62a_100000230085_100000766300 [0,2,0,0,0,0|2,0,0]=4 7515 B12R1.30 COCSC(C)c1ccccc1 62a_100000766300_100000230085 [0,2,0,0,0,0|2,0,0]=4 7516 B12R1.30 COCSC(C)c1cnccn1 62a_100000766300_200000703233 [0,2,0,0,0,0|2,0,0]=4 7517 B12R1.30 COCSC(C)c1cnccn1 62a_200000703233_100000766300 [0,2,0,0,0,0|2,0,0]=4 7518 B12R1.30 CSCCC(=O)c1ccccc1 1458a_100000185807_100000751147 [0,2,0,0,0,0|2,0,0]=4 7519 B12R1.30 CSCCC(=O)c1ccccc1 62a_100000750707_200000210301 [0,2,0,0,0,0|2,0,0]=4 7520 B12R1.30 CSCCC(=O)c1ccccc1 62a_200000210301_100000750707 [0,2,0,0,0,0|2,0,0]=4 7521 B12R1.30 CSCCN(C)c1ccccc1 2230a_100000210012_100000751147 [0,2,0,0,0,0|2,0,0]=4 7522 B12R1.30 CSCCN(C)c1ccccc1 269982a_100000210012_100000212216 [0,2,0,0,0,0|2,0,0]=4 7523 B12R1.30 CSCCN(C)c1ccccc1 34a_100000210012_100000212216 [0,2,0,0,0,0|2,0,0]=4 7524 B12R1.30 CSCCN(C)c1cccnn1 27a_100000686725_100016991348 [0,2,0,0,0,0|2,0,0]=4 7525 B12R1.30 CSCCN(C)c1ccncn1 27a_100000686725_100000703185 [0,2,0,0,0,0|2,0,0]=4 7526 B12R1.30 CSCCN(C)c1cnccn1 27a_100000686725_100000211759 [0,2,0,0,0,0|2,0,0]=4 7527 B12R1.30 CSCCN(C)c1ncccn1 27a_100000686725_100000211032 [0,2,0,0,0,0|2,0,0]=4 7528 B12R1.30 CSCCS(=O)c1ccccc1 62a_200000210301_100000740319 [0,2,0,0,0,0|2,0,0]=4 7529 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_100000729684_200000210301 [0,2,0,0,0,0|2,0,0]=4 7530 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_200000210301_100000729684 [0,2,0,0,0,0|2,0,0]=4 7531 B12R1.30 CSCNC(C)c1ccccn1 2230a_100000181244_100011218213 [0,2,0,0,0,0|1,0,0]=3 7532 B12R1.30 CSCNC(C)c1ncccn1 2230a_100020641698_100011218213 [0,2,0,0,0,0|2,0,0]=4 7533 B12R1.30 CSCN[C@H](C)c1ccccc1 2230a_100000751104_100011218213 [0,2,0,0,0,0|2,0,0]=4 7534 B12R1.30 CSCN[C@H](C)c1cnccn1 2230a_100020589798_100011218213 [0,2,0,0,0,0|2,0,0]=4 7535 B12R1.30 CSCO[C@H](C)c1ccccc1 34a_100000761318_100011218213 [0,2,0,0,0,0|2,0,0]=4 7536 B12R1.30 CSCSC(C)c1ccccc1 62a_100000230085_100011218213 [0,2,0,0,0,0|2,0,0]=4 7537 B12R1.30 CSCSC(C)c1ccccc1 62a_100011218213_100000230085 [0,2,0,0,0,0|2,0,0]=4 7538 B12R1.30 CSCSC(C)c1cnccn1 62a_100011218213_200000703233 [0,2,0,0,0,0|2,0,0]=4 7539 B12R1.30 CSCSC(C)c1cnccn1 62a_200000703233_100011218213 [0,2,0,0,0,0|2,0,0]=4 7540 B12R1.30 N[C@H](COCF)c1ccccc1 34a_100000751927_100015361967 [0,2,0,0,0,0|2,0,0]=4 7541 B12R1.30 O=C(CSCF)c1ccccn1 62a_100000027445_100015361967 [0,2,0,0,0,0|1,0,1]=4 7542 B12R1.30 O=C(CSCF)c1ccccn1 62a_100015361967_100000027445 [0,2,0,0,0,0|1,0,1]=4 7543 B12R1.30 OC(CSCF)c1ccccc1 62a_100000185958_100015361967 [0,2,0,0,0,0|2,0,0]=4 7544 B12R1.30 OC(CSCF)c1ccccc1 62a_100015361967_100000185958 [0,2,0,0,0,0|2,0,0]=4 7545 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100011933945_100015361967 [0,2,0,0,0,0|2,0,0]=4 7546 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100015361967_100011933945 [0,2,0,0,0,0|2,0,0]=4 7547 B12R1.30 [13CH3]NCCC(O)c1ccccc1 2230a_100000763605_200025704644 [0,2,0,0,0,0|1,0,0]=3 7548 B12R1.30 [13CH3]OCC[C@H](N)c1ccccc1 34a_100025705951_200025704644 [0,2,0,0,0,0|2,0,0]=4 7549 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_100000750707_200025704644 [0,2,0,0,0,0|2,0,0]=4 7550 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_200025704644_100000750707 [0,2,0,0,0,0|2,0,0]=4 7551 B12R1.30 [13CH3]SCCS(=O)c1ccccc1 62a_200025704644_100000740319 [0,2,0,0,0,0|2,0,0]=4 7552 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_100000729684_200025704644 [0,2,0,0,0,0|2,0,0]=4 7553 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_200025704644_100000729684 [0,2,0,0,0,0|2,0,0]=4 7554 B12R1.34 CCC(=O)C(C)c1ccccn1 1458a_100000722050_100000210202 [0,2,0,0,0,0|1,0,1]=4 7555 B12R1.34 CCN(C)C(C)c1ccccn1 2230a_100000231138_100000210202 [0,2,0,0,0,0|2,0,0]=4 7556 B12R1.34 CCN(C)C(C)c1ccccn1 269982a_100000231138_100000204670 [0,2,0,0,0,0|2,0,0]=4 7557 B12R1.34 CNC(=O)C(C)c1ccccn1 11a_106832991635_100000722050 [0,2,0,0,0,0|0,0,1]=3 7558 B12R1.34 CNC(=O)C(C)c1ccccn1 1626a_100102657272_100000722050 [0,2,0,0,0,0|0,0,1]=3 7559 B12R1.34 CNC(=O)C(C)c1ccccn1 240690a_100102657272_100000722050 [0,2,0,0,0,0|0,0,1]=3 7560 B12R1.34 CNC(=O)C(C)c1ccccn1 527a_100102657272_100000722050 [0,2,0,0,0,0|0,0,1]=3 7561 B12R1.34 CNC(=O)C(C)c1ncccn1 11a_106832991635_100011934538 [0,2,0,0,0,0|1,0,1]=4 7562 B12R1.34 CNC(=O)C(C)c1ncccn1 240690a_100102657272_100011934538 [0,2,0,0,0,0|1,0,1]=4 7563 B12R1.34 CNC(=O)C(C)c1ncccn1 527a_100102657272_100011934538 [0,2,0,0,0,0|1,0,1]=4 7564 B12R1.34 CNC(=O)C(F)c1ccccc1 11a_106832991635_100000698975 [0,2,0,0,0,0|1,0,1]=4 7565 B12R1.34 CNC(=O)C(F)c1ccccc1 1626a_100102657272_100000698975 [0,2,0,0,0,0|1,0,1]=4 7566 B12R1.34 CNC(=O)C(F)c1ccccc1 240690a_100102657272_100000698975 [0,2,0,0,0,0|1,0,1]=4 7567 B12R1.34 CNC(=O)C(F)c1ccccc1 527a_100102657272_100000698975 [0,2,0,0,0,0|1,0,1]=4 7568 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [0,2,0,0,0,0|1,0,1]=4 7569 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [0,2,0,0,0,0|1,0,1]=4 7570 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [0,2,0,0,0,0|1,0,1]=4 7571 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [0,2,0,0,0,0|1,0,1]=4 7572 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [0,2,0,0,0,0|1,0,1]=4 7573 B12R1.34 CNC(C)C(=O)c1ccccc1 2230a_106832991635_100000239700 [0,2,0,0,0,0|1,0,1]=4 7574 B12R1.34 CNC(C)C(=O)c1ccccc1 7a_106832991635_100000239700 [0,2,0,0,0,0|1,0,1]=4 7575 B12R1.34 CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_200000210301 [0,2,0,0,0,0|2,0,0]=4 7576 B12R1.34 C[C@H](O[13CH3])[C@@H](N)c1ccccc1 34a_100134616770_200025704644 [0,2,0,0,0,0|2,0,0]=4 7577 B12R1.39 CC(C)(CN[13CH3])c1ccccc1 2230a_100011211644_200025704644 [0,2,0,0,0,0|1,0,0]=3 7578 B12R1.39 CC(C)(CO[13CH3])c1ccccc1 7a_100000747608_200025704644 [0,2,0,0,0,0|2,0,0]=4 7579 B12R1.39 CC(C)(CS[13CH3])c1ccccc1 62a_100000703224_200025704644 [0,2,0,0,0,0|2,0,0]=4 7580 B12R1.39 CC(C)(CS[13CH3])c1ccccc1 62a_200025704644_100000703224 [0,2,0,0,0,0|2,0,0]=4 7581 B12R1.39 CC(O)(CN[13CH3])c1ccccc1 2230a_100011660926_200025704644 [0,2,0,0,0,0|1,0,0]=3 7582 B12R1.39 CCNC(C)(C)c1ccccn1 2230a_100011999416_100000210202 [0,2,0,0,0,0|2,0,0]=4 7583 B12R1.39 CCOC(C)(C)c1ccccn1 7a_100000041474_100000210202 [0,2,0,0,0,0|2,0,0]=4 7584 B12R1.39 CNCC(C)(C)c1ccccc1 2230a_100011211644_200000210301 [0,2,0,0,0,0|1,0,0]=3 7585 B12R1.39 CNCC(C)(O)c1ccccc1 2230a_100011660926_200000210301 [0,2,0,0,0,0|1,0,0]=3 7586 B12R1.39 CNCC(F)(F)c1ccccc1 34a_100000717977_200000210301 [0,2,0,0,0,0|1,0,0]=3 7587 B12R1.39 CNCC(F)(F)c1ccccc1 34a_100102657272_100009875531 [0,2,0,0,0,0|1,0,0]=3 7588 B12R1.39 CNCS(=O)(=O)c1ccccc1 34a_100102657272_200009813291 [0,2,0,0,0,0|2,0,0]=4 7589 B12R1.39 CNC[Si](C)(C)c1ccccc1 2230a_106832991635_100000038972 [0,2,0,0,0,0|1,1,0]=4 7590 B12R1.39 CNC[Si](C)(C)c1ccccc1 7a_106832991635_100000038972 [0,2,0,0,0,0|1,1,0]=4 7591 B12R1.39 CNNS(=O)(=O)c1ccccn1 40a_100016993582_100000070048 [0,2,0,0,0,0|2,0,0]=4 7592 B12R1.39 COCC(C)(C)c1ccccc1 7a_100000747608_200000210301 [0,2,0,0,0,0|2,0,0]=4 7593 B12R1.39 COCC(F)(F)c1ccccc1 34a_100138415774_100009875531 [0,2,0,0,0,0|2,0,0]=4 7594 B12R1.39 CSCC(C)(C)c1ccccc1 62a_100000703224_200000210301 [0,2,0,0,0,0|2,0,0]=4 7595 B12R1.39 CSCC(C)(C)c1ccccc1 62a_200000210301_100000703224 [0,2,0,0,0,0|2,0,0]=4 7596 B12R1.39 CSCC(F)(F)c1ccccc1 62a_100009875531_200000210301 [0,2,0,0,0,0|2,0,0]=4 7597 B12R1.39 CSCC(F)(F)c1ccccc1 62a_200000210301_100009875531 [0,2,0,0,0,0|2,0,0]=4 7598 B12R1.39 [13CH3]NCC(F)(F)c1ccccc1 34a_100000717977_200025704644 [0,2,0,0,0,0|1,0,0]=3 7599 B12R1.39 [13CH3]SCC(F)(F)c1ccccc1 62a_100009875531_200025704644 [0,2,0,0,0,0|2,0,0]=4 7600 B12R1.39 [13CH3]SCC(F)(F)c1ccccc1 62a_200025704644_100009875531 [0,2,0,0,0,0|2,0,0]=4 7601 B12R1.107 CC(=O)CC(=O)c1ccccn1 1458a_100000070787_100000027445 [0,2,0,0,0,0|1,0,1]=4 7602 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,2,0,0,0,0|2,0,0]=4 7603 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,2,0,0,0,0|2,0,0]=4 7604 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,2,0,0,0,0|2,0,0]=4 7605 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,2,0,0,0,0|2,0,0]=4 7606 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,2,0,0,0,0|2,0,0]=4 7607 B12R1.107 CC(=O)NC(C)c1ccccn1 11a_100000181244_100015343762 [0,2,0,0,0,0|2,0,0]=4 7608 B12R1.107 CC(=O)NC(C)c1ccccn1 1626a_100000181244_100015343762 [0,2,0,0,0,0|2,0,0]=4 7609 B12R1.107 CC(=O)NC(C)c1ccccn1 240690a_100000181244_100015343762 [0,2,0,0,0,0|2,0,0]=4 7610 B12R1.107 CC(=O)NC(C)c1ccccn1 527a_100000181244_100103153847 [0,2,0,0,0,0|2,0,0]=4 7611 B12R1.107 CC(C)C[C@H](N)c1ccccc1 271570a_100015190218_100000210277 [0,2,0,0,0,0|2,0,0]=4 7612 B12R1.107 CC(C)C[C@H](N)c1ccccn1 271570a_100015190218_100011216584 [0,2,0,0,0,0|1,0,0]=3 7613 B12R1.107 CC(C)C[C@H](N)c1cccnn1 271570a_100015190218_100016991348 [0,2,0,0,0,0|2,0,0]=4 7614 B12R1.107 CC(C)C[C@H](N)c1ccncn1 271570a_100015190218_100000703185 [0,2,0,0,0,0|2,0,0]=4 7615 B12R1.107 CC(C)C[C@H](N)c1cnccn1 271570a_100015190218_100000758340 [0,2,0,0,0,0|2,0,0]=4 7616 B12R1.107 CC(C)C[C@H](N)c1ncccn1 271570a_100015190218_100000211032 [0,2,0,0,0,0|2,0,0]=4 7617 B12R1.107 CC(C)NC(C)c1ccccn1 2230a_100000181244_100000210206 [0,2,0,0,0,0|2,0,0]=4 7618 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,2,0,0,0,0|2,0,0]=4 7619 B12R1.107 CC(CN(C)C)c1ccccc1 2230a_100102631434_100000756946 [0,2,0,0,0,0|1,0,0]=3 7620 B12R1.107 CC(CN(C)C)c1ccccc1 269982a_100102631434_100000756946 [0,2,0,0,0,0|1,0,0]=3 7621 B12R1.107 CC(CN(C)C)c1ccccc1 270004a_100102631434_100000212034 [0,2,0,0,0,0|1,0,0]=3 7622 B12R1.107 CN(C)CC(=O)c1ccccc1 269982a_100102631434_100000211460 [0,2,0,0,0,0|1,0,1]=4 7623 B12R1.107 CN(C)CC(=O)c1ccccn1 269982a_100102631434_100000027445 [0,2,0,0,0,0|0,0,1]=3 7624 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100000227976_200000210301 [0,2,0,0,0,0|1,0,0]=3 7625 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100102631434_100000185958 [0,2,0,0,0,0|1,0,0]=3 7626 B12R1.107 CN(C)CC(O)c1ccccc1 269982a_100000227976_200000210301 [0,2,0,0,0,0|1,0,0]=3 7627 B12R1.107 CN(C)CS(=O)c1ccccc1 269982a_100102631434_100000031784 [0,2,0,0,0,0|2,0,0]=4 7628 B12R1.107 CN(C)C[C@@H](O)c1ccccc1 2230a_100102631434_100011933945 [0,2,0,0,0,0|1,0,0]=3 7629 B12R1.107 CN([13CH3])CC(O)c1ccccc1 2230a_100000227976_200025704644 [0,2,0,0,0,0|1,0,0]=3 7630 B12R1.107 CN([13CH3])CC(O)c1ccccc1 269982a_100000227976_200025704644 [0,2,0,0,0,0|1,0,0]=3 7631 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,2,0,0,0,0|2,0,0]=4 7632 B12R1.308 CCCN(C)c1ncccc1Br 27a_100000747261_100000696092 [0,2,0,0,0,0|2,0,0]=4 7633 B12R1.308 CCNC(C)c1ncccc1Br 2230a_100159271932_100000210202 [0,2,0,0,0,0|2,0,0]=4 7634 B12R1.308 CCNC(C)c1ncccc1Br 269862a_100015525214_100012348690 [0,2,0,0,0,0|2,0,0]=4 7635 B12R1.308 CCNC(C)c1ncccc1C 2230a_100011536111_100000210202 [0,2,0,0,0,0|2,0,0]=4 7636 B12R1.308 CCNC(C)c1ncccc1C 269862a_100015525214_100011536074 [0,2,0,0,0,0|2,0,0]=4 7637 B12R1.308 CCNC(C)c1ncccc1Cl 269862a_100015525214_100015267551 [0,2,0,0,0,0|2,0,0]=4 7638 B12R1.308 CCNC(C)c1ncccc1F 269862a_100015525214_100011997767 [0,2,0,0,0,0|2,0,0]=4 7639 B12R1.308 CCNC(C)c1ncccc1I 269862a_100015525214_200015599370 [0,2,0,0,0,0|2,0,0]=4 7640 B12R1.308 CCO[C@@H](C)c1ncccc1Br 7a_100013325542_100000210202 [0,2,0,0,0,0|2,0,0]=4 7641 B12R1.308 CNCC(=O)c1ccccc1Br 34a_100102657272_100000199116 [0,2,0,0,0,0|1,0,1]=4 7642 B12R1.308 CNCC(=O)c1ccccc1C 2230a_106832991635_100000741374 [0,2,0,0,0,0|1,0,1]=4 7643 B12R1.308 CNCC(=O)c1ccccc1C 34a_100102657272_100000741374 [0,2,0,0,0,0|1,0,1]=4 7644 B12R1.308 CNCC(=O)c1ccccc1C 7a_106832991635_100000741374 [0,2,0,0,0,0|1,0,1]=4 7645 B12R1.308 CNCC(=O)c1ccccc1Cl 34a_100102657272_100000211432 [0,2,0,0,0,0|1,0,1]=4 7646 B12R1.308 CNCC(=O)c1ccccc1F 34a_100102657272_100000204681 [0,2,0,0,0,0|1,0,1]=4 7647 B12R1.308 CNCC(=O)c1ccccc1F 7a_106832991635_100000204681 [0,2,0,0,0,0|1,0,1]=4 7648 B12R1.308 CNCC(=O)c1ccccc1O 7a_106832991635_100000188908 [0,2,0,0,0,0|1,0,1]=4 7649 B12R1.308 CNCC(O)c1ccccc1Br 2230a_100011236429_200000210301 [0,2,0,0,0,0|1,0,0]=3 7650 B12R1.308 CNCC(O)c1ccccc1Cl 2230a_200000759403_200000210301 [0,2,0,0,0,0|1,0,0]=3 7651 B12R1.308 CNCC(O)c1ccccc1Cl 34a_200000759403_200000210301 [0,2,0,0,0,0|1,0,0]=3 7652 B12R1.308 COCC(N)c1ccccc1Cl 34a_100138412506_200000210301 [0,2,0,0,0,0|2,0,0]=4 7653 B12R1.308 COC[C@@H](N)c1ccccc1Br 34a_100161155918_200000210301 [0,2,0,0,0,0|2,0,0]=4 7654 B12R1.308 COC[C@H](N)c1ccccc1F 34a_100009818778_200000210301 [0,2,0,0,0,0|2,0,0]=4 7655 B12R1.308 [13CH3]NCC(O)c1ccccc1Br 2230a_100011236429_200025704644 [0,2,0,0,0,0|1,0,0]=3 7656 B12R1.308 [13CH3]NCC(O)c1ccccc1Cl 2230a_200000759403_200025704644 [0,2,0,0,0,0|1,0,0]=3 7657 B12R1.308 [13CH3]NCC(O)c1ccccc1Cl 34a_200000759403_200025704644 [0,2,0,0,0,0|1,0,0]=3 7658 B12R1.308 [13CH3]OCC(N)c1ccccc1Cl 34a_100138412506_200025704644 [0,2,0,0,0,0|2,0,0]=4 7659 B12R1.308 [13CH3]OC[C@@H](N)c1ccccc1Br 34a_100161155918_200025704644 [0,2,0,0,0,0|2,0,0]=4 7660 B12R1.308 [13CH3]OC[C@H](N)c1ccccc1F 34a_100009818778_200025704644 [0,2,0,0,0,0|2,0,0]=4 7661 B12R1.25 CCCCc1cccc(=O)n1C 271570a_100020621405_100000726605 [0,2,0,0,0,0|1,0,1]=4 7662 B12R1.25 CCCCc1cccc(c1Br)O 271570a_100020621405_100010187914 [0,2,0,0,0,0|2,0,0]=4 7663 B12R1.25 CCCCc1cccc(c1C)Br 271570a_100020621405_100012353703 [0,2,0,0,0,0|2,0,0]=4 7664 B12R1.25 CCCCc1cccc(c1C)C 271570a_100020621405_100011214922 [0,2,0,0,0,0|2,0,0]=4 7665 B12R1.25 CCCCc1cccc(c1C)Cl 271570a_100020621405_100000726075 [0,2,0,0,0,0|2,0,0]=4 7666 B12R1.25 CCCCc1cccc(c1C)F 271570a_100020621405_100011216893 [0,2,0,0,0,0|2,0,0]=4 7667 B12R1.25 CCCCc1cccc(c1C)N 271570a_100020621405_100000761887 [0,2,0,0,0,0|2,0,0]=4 7668 B12R1.25 CCCCc1cccc(c1C)O 271570a_100020621405_100012002258 [0,2,0,0,0,0|2,0,0]=4 7669 B12R1.25 CCCCc1cccc(c1Cl)Br 271570a_100020621405_100010142854 [0,2,0,0,0,0|2,0,0]=4 7670 B12R1.25 CCCCc1cccc(c1Cl)C 271570a_100020621405_200012352035 [0,2,0,0,0,0|2,0,0]=4 7671 B12R1.25 CCCCc1cccc(c1Cl)Cl 271570a_100020621405_100011215384 [0,2,0,0,0,0|2,0,0]=4 7672 B12R1.25 CCCCc1cccc(c1Cl)F 271570a_100020621405_200010234923 [0,2,0,0,0,0|2,0,0]=4 7673 B12R1.25 CCCCc1cccc(c1Cl)O 271570a_100020621405_100000049636 [0,2,0,0,0,0|2,0,0]=4 7674 B12R1.25 CCCCc1cccc(c1F)Br 271570a_100020621405_100000702267 [0,2,0,0,0,0|2,0,0]=4 7675 B12R1.25 CCCCc1cccc(c1F)C 271570a_100020621405_100000717567 [0,2,0,0,0,0|2,0,0]=4 7676 B12R1.25 CCCCc1cccc(c1F)Cl 271570a_100020621405_100011217346 [0,2,0,0,0,0|2,0,0]=4 7677 B12R1.25 CCCCc1cccc(c1F)F 271570a_100020621405_100000694657 [0,2,0,0,0,0|2,0,0]=4 7678 B12R1.25 CCCCc1cccc(c1F)N 271570a_100020621405_100011935091 [0,2,0,0,0,0|2,0,0]=4 7679 B12R1.25 CCCCc1cccc(c1F)O 271570a_100020621405_100009817021 [0,2,0,0,0,0|2,0,0]=4 7680 B12R1.25 CCCCc1cccc(c1N)Br 271570a_100020621405_100010146558 [0,2,0,0,0,0|2,0,0]=4 7681 B12R1.25 CCCCc1cccc(c1N)C 271570a_100020621405_100011834072 [0,2,0,0,0,0|2,0,0]=4 7682 B12R1.25 CCCCc1cccc(c1N)Cl 271570a_100020621405_100010190421 [0,2,0,0,0,0|2,0,0]=4 7683 B12R1.25 CCCCc1cccc(c1N)F 271570a_100020621405_100000042321 [0,2,0,0,0,0|2,0,0]=4 7684 B12R1.25 CCCCc1cccc(c1N)N 271570a_100020621405_100015191791 [0,2,0,0,0,0|2,0,0]=4 7685 B12R1.25 CCCCc1cccc(c1N)O 271570a_100020621405_100011934926 [0,2,0,0,0,0|2,0,0]=4 7686 B12R1.25 CCCCc1cccc(c1O)Br 271570a_100020621405_100010084509 [0,2,0,0,0,0|2,0,0]=4 7687 B12R1.25 CCCCc1cccc(c1O)C 271570a_100020621405_100009817157 [0,2,0,0,0,0|2,0,0]=4 7688 B12R1.25 CCCCc1cccc(c1O)Cl 271570a_100020621405_100010202889 [0,2,0,0,0,0|2,0,0]=4 7689 B12R1.25 CCCCc1cccc(c1O)F 271570a_100020621405_100009813666 [0,2,0,0,0,0|2,0,0]=4 7690 B12R1.25 CCCCc1cccc(c1O)N 271570a_100020621405_100011934915 [0,2,0,0,0,0|2,0,0]=4 7691 B12R1.25 CCCCc1cccc(c1O)O 271570a_100020621405_100009815950 [0,2,0,0,0,0|2,0,0]=4 7692 B12R1.25 CCCCc1nccc(c1C)C 271570a_100020621405_100009847204 [0,2,0,0,0,0|1,0,0]=3 7693 B12R1.25 CCCCc1nccc(c1C)F 271570a_100020621405_100009846374 [0,2,0,0,0,0|1,0,0]=3 7694 B12R1.25 CCCCc1nccc(c1C)N 271570a_100020621405_100009980296 [0,2,0,0,0,0|1,0,0]=3 7695 B12R1.25 CCCCc1nccc(c1F)C 271570a_100020621405_100009817629 [0,2,0,0,0,0|1,0,0]=3 7696 B12R1.25 CCCCc1nccc(c1F)N 271570a_100020621405_100015205195 [0,2,0,0,0,0|1,0,0]=3 7697 B12R1.25 CCCCc1nccc(c1F)O 271570a_100020621405_100009876375 [0,2,0,0,0,0|1,0,0]=3 7698 B12R1.25 CCCCc1nccc(c1N)C 271570a_100020621405_100000763560 [0,2,0,0,0,0|1,0,0]=3 7699 B12R1.25 CCCCc1nccc(c1N)N 271570a_100020621405_100000085203 [0,2,0,0,0,0|1,0,0]=3 7700 B12R1.25 CCCCc1nccc(c1N)O 271570a_100020621405_100000128729 [0,2,0,0,0,0|1,0,0]=3 7701 B12R1.25 CCCCc1nccc(c1O)C 271570a_100020621405_100000696282 [0,2,0,0,0,0|1,0,0]=3 7702 B12R1.25 CCCCc1nccc(c1O)F 271570a_100020621405_100009867227 [0,2,0,0,0,0|1,0,0]=3 7703 B12R1.25 CCCCc1ncnc(c1C)C 271570a_100020621405_100011438038 [0,2,0,0,0,0|2,0,0]=4 7704 B12R1.25 CCCCc1ncnc(c1C)N 271570a_100020621405_100011913465 [0,2,0,0,0,0|2,0,0]=4 7705 B12R1.25 CCCCc1ncnc(c1C)O 271570a_100020621405_100011912821 [0,2,0,0,0,0|2,0,0]=4 7706 B12R1.25 CCCCc1ncnc(c1F)C 271570a_100020621405_100011671633 [0,2,0,0,0,0|2,0,0]=4 7707 B12R1.25 CCCCc1ncnc(c1F)N 271570a_100020621405_100000126652 [0,2,0,0,0,0|2,0,0]=4 7708 B12R1.25 CCCCc1ncnc(c1N)N 271570a_100020621405_100000766367 [0,2,0,0,0,0|2,0,0]=4 7709 B12R1.25 CCCCc1ncnc(c1N)O 271570a_100020621405_100011795086 [0,2,0,0,0,0|2,0,0]=4 7710 B12R1.25 CCCCc1nncc(c1C)N 271570a_100020621405_200011012966 [0,2,0,0,0,0|2,0,0]=4 7711 B12R1.25 CCCOc1nccc(c1Br)C 34a_100012000493_100000210303 [0,2,0,0,0,0|2,0,0]=4 7712 B12R1.25 CCCOc1nccc(c1C)Br 34a_100009858498_100000210303 [0,2,0,0,0,0|2,0,0]=4 7713 B12R1.25 CCCOc1nccc(c1Cl)N 34a_200000093555_100000210303 [0,2,0,0,0,0|2,0,0]=4 7714 B12R1.25 CCCSc1nccc(c1C)C 62a_100000210303_100009847204 [0,2,0,0,0,0|2,0,0]=4 7715 B12R1.25 CCCSc1nccc(c1C)C 62a_100009847204_100000210303 [0,2,0,0,0,0|2,0,0]=4 7716 B12R1.25 CCCSc1nccc(c1C)F 62a_100000210303_100009846374 [0,2,0,0,0,0|2,0,0]=4 7717 B12R1.25 CCCSc1nccc(c1C)F 62a_100009846374_100000210303 [0,2,0,0,0,0|2,0,0]=4 7718 B12R1.25 CCCSc1nccc(c1C)N 62a_100000210303_100000690622 [0,2,0,0,0,0|2,0,0]=4 7719 B12R1.25 CCCSc1nccc(c1C)N 62a_100000690622_100000210303 [0,2,0,0,0,0|2,0,0]=4 7720 B12R1.25 CCCSc1nccc(c1F)C 62a_100000210303_100009817629 [0,2,0,0,0,0|2,0,0]=4 7721 B12R1.25 CCCSc1nccc(c1F)C 62a_100009817629_100000210303 [0,2,0,0,0,0|2,0,0]=4 7722 B12R1.25 CCCSc1nccc(c1F)N 62a_100000210303_100015205195 [0,2,0,0,0,0|2,0,0]=4 7723 B12R1.25 CCCSc1nccc(c1F)N 62a_100015205195_100000210303 [0,2,0,0,0,0|2,0,0]=4 7724 B12R1.25 CCCSc1nccc(c1F)O 62a_100000210303_100009876375 [0,2,0,0,0,0|2,0,0]=4 7725 B12R1.25 CCCSc1nccc(c1F)O 62a_100009876375_100000210303 [0,2,0,0,0,0|2,0,0]=4 7726 B12R1.25 CCCSc1nccc(c1N)C 62a_100000210303_100000763560 [0,2,0,0,0,0|2,0,0]=4 7727 B12R1.25 CCCSc1nccc(c1N)C 62a_100000763560_100000210303 [0,2,0,0,0,0|2,0,0]=4 7728 B12R1.25 CCCSc1nccc(c1N)N 62a_100000085203_100000210303 [0,2,0,0,0,0|2,0,0]=4 7729 B12R1.25 CCCSc1nccc(c1N)N 62a_100000210303_100000085203 [0,2,0,0,0,0|2,0,0]=4 7730 B12R1.25 CCCSc1nccc(c1O)C 62a_100000210303_100000696282 [0,2,0,0,0,0|2,0,0]=4 7731 B12R1.25 CCCSc1nccc(c1O)F 62a_100000210303_100009867227 [0,2,0,0,0,0|2,0,0]=4 7732 B12R1.25 CCCSc1nccc(c1O)N 62a_100000210303_100009844647 [0,2,0,0,0,0|2,0,0]=4 7733 B12R1.25 CCNCc1nccc(c1C)Cl 2230a_100015525214_100020614443 [0,2,0,0,0,0|2,0,0]=4 7734 B12R1.25 CCNCc1nccc(c1F)Br 270004a_100015525214_100015713984 [0,2,0,0,0,0|2,0,0]=4 7735 B12R1.25 CCOCc1nccc(c1C)Cl 34a_100121572206_100020614443 [0,2,0,0,0,0|2,0,0]=4 7736 B12R1.25 CCSCc1nccc(c1C)Cl 62a_100000210202_100020614443 [0,2,0,0,0,0|2,0,0]=4 7737 B12R1.25 CCSCc1nccc(c1C)Cl 62a_100020614443_100000210202 [0,2,0,0,0,0|2,0,0]=4 7738 B12R1.25 CNCCc1cccc(c1C)Br 2230a_100161000114_200000210301 [0,2,0,0,0,0|1,0,0]=3 7739 B12R1.25 CNCCc1cccc(c1C)Br 34a_100161000114_200000210301 [0,2,0,0,0,0|1,0,0]=3 7740 B12R1.25 CNCCc1cccc(c1Cl)Cl 2230a_100000741019_200000210301 [0,2,0,0,0,0|1,0,0]=3 7741 B12R1.25 CNCCc1cccc(c1Cl)Cl 2230a_106832991635_100000723033 [0,2,0,0,0,0|1,0,0]=3 7742 B12R1.25 CNCCc1cccc(c1Cl)Cl 34a_100000741019_200000210301 [0,2,0,0,0,0|1,0,0]=3 7743 B12R1.25 CNCCc1cccc(c1Cl)Cl 34a_100102657272_100000723033 [0,2,0,0,0,0|1,0,0]=3 7744 B12R1.25 CNCCc1cccc(c1Cl)Cl 7a_106832991635_100000723033 [0,2,0,0,0,0|1,0,0]=3 7745 B12R1.25 COCCc1cccc(c1Cl)Cl 34a_100011754357_200000210301 [0,2,0,0,0,0|2,0,0]=4 7746 B12R1.25 COCCc1cccc(c1Cl)Cl 34a_100138415774_100000723033 [0,2,0,0,0,0|2,0,0]=4 7747 B12R1.25 COCCc1cccc(c1Cl)Cl 7a_100011754357_200000210301 [0,2,0,0,0,0|2,0,0]=4 7748 B12R1.25 COCCc1cccc(c1F)Cl 34a_100011830271_200000210301 [0,2,0,0,0,0|2,0,0]=4 7749 B12R1.25 COCCc1cccc(c1F)Cl 7a_100011830271_200000210301 [0,2,0,0,0,0|2,0,0]=4 7750 B12R1.25 COCCc1cccc(c1F)F 34a_100000698707_200000210301 [0,2,0,0,0,0|2,0,0]=4 7751 B12R1.25 COCCc1cccc(c1F)F 7a_100000698707_200000210301 [0,2,0,0,0,0|2,0,0]=4 7752 B12R1.25 COCSc1nccc(c1C)C 62a_100000766300_100009847204 [0,2,0,0,0,0|2,0,0]=4 7753 B12R1.25 COCSc1nccc(c1C)C 62a_100009847204_100000766300 [0,2,0,0,0,0|2,0,0]=4 7754 B12R1.25 COCSc1nccc(c1C)F 62a_100000766300_100009846374 [0,2,0,0,0,0|2,0,0]=4 7755 B12R1.25 COCSc1nccc(c1C)F 62a_100009846374_100000766300 [0,2,0,0,0,0|2,0,0]=4 7756 B12R1.25 COCSc1nccc(c1C)N 62a_100000690622_100000766300 [0,2,0,0,0,0|2,0,0]=4 7757 B12R1.25 COCSc1nccc(c1C)N 62a_100000766300_100000690622 [0,2,0,0,0,0|2,0,0]=4 7758 B12R1.25 COCSc1nccc(c1F)C 62a_100000766300_100009817629 [0,2,0,0,0,0|2,0,0]=4 7759 B12R1.25 COCSc1nccc(c1F)C 62a_100009817629_100000766300 [0,2,0,0,0,0|2,0,0]=4 7760 B12R1.25 COCSc1nccc(c1F)N 62a_100000766300_100015205195 [0,2,0,0,0,0|2,0,0]=4 7761 B12R1.25 COCSc1nccc(c1F)N 62a_100015205195_100000766300 [0,2,0,0,0,0|2,0,0]=4 7762 B12R1.25 COCSc1nccc(c1F)O 62a_100000766300_100009876375 [0,2,0,0,0,0|2,0,0]=4 7763 B12R1.25 COCSc1nccc(c1F)O 62a_100009876375_100000766300 [0,2,0,0,0,0|2,0,0]=4 7764 B12R1.25 COCSc1nccc(c1N)C 62a_100000763560_100000766300 [0,2,0,0,0,0|2,0,0]=4 7765 B12R1.25 COCSc1nccc(c1N)C 62a_100000766300_100000763560 [0,2,0,0,0,0|2,0,0]=4 7766 B12R1.25 COCSc1nccc(c1N)N 62a_100000085203_100000766300 [0,2,0,0,0,0|2,0,0]=4 7767 B12R1.25 COCSc1nccc(c1N)N 62a_100000766300_100000085203 [0,2,0,0,0,0|2,0,0]=4 7768 B12R1.25 COCSc1nccc(c1O)C 62a_100000766300_100000696282 [0,2,0,0,0,0|2,0,0]=4 7769 B12R1.25 COCSc1nccc(c1O)F 62a_100000766300_100009867227 [0,2,0,0,0,0|2,0,0]=4 7770 B12R1.25 COCSc1nccc(c1O)N 62a_100000766300_100009844647 [0,2,0,0,0,0|2,0,0]=4 7771 B12R1.25 CSCCc1cccc(c1Cl)Cl 62a_100000723033_200000210301 [0,2,0,0,0,0|2,0,0]=4 7772 B12R1.25 CSCCc1cccc(c1Cl)Cl 62a_200000210301_100000723033 [0,2,0,0,0,0|2,0,0]=4 7773 B12R1.25 CSCOc1nccc(c1Br)C 34a_100012000493_100011218213 [0,2,0,0,0,0|2,0,0]=4 7774 B12R1.25 CSCOc1nccc(c1C)Br 34a_100009858498_100011218213 [0,2,0,0,0,0|2,0,0]=4 7775 B12R1.25 CSCOc1nccc(c1Cl)N 34a_200000093555_100011218213 [0,2,0,0,0,0|2,0,0]=4 7776 B12R1.25 CSCSc1nccc(c1C)C 62a_100009847204_100011218213 [0,2,0,0,0,0|2,0,0]=4 7777 B12R1.25 CSCSc1nccc(c1C)C 62a_100011218213_100009847204 [0,2,0,0,0,0|2,0,0]=4 7778 B12R1.25 CSCSc1nccc(c1C)F 62a_100009846374_100011218213 [0,2,0,0,0,0|2,0,0]=4 7779 B12R1.25 CSCSc1nccc(c1C)F 62a_100011218213_100009846374 [0,2,0,0,0,0|2,0,0]=4 7780 B12R1.25 CSCSc1nccc(c1C)N 62a_100000690622_100011218213 [0,2,0,0,0,0|2,0,0]=4 7781 B12R1.25 CSCSc1nccc(c1C)N 62a_100011218213_100000690622 [0,2,0,0,0,0|2,0,0]=4 7782 B12R1.25 CSCSc1nccc(c1F)C 62a_100009817629_100011218213 [0,2,0,0,0,0|2,0,0]=4 7783 B12R1.25 CSCSc1nccc(c1F)C 62a_100011218213_100009817629 [0,2,0,0,0,0|2,0,0]=4 7784 B12R1.25 CSCSc1nccc(c1F)N 62a_100011218213_100015205195 [0,2,0,0,0,0|2,0,0]=4 7785 B12R1.25 CSCSc1nccc(c1F)N 62a_100015205195_100011218213 [0,2,0,0,0,0|2,0,0]=4 7786 B12R1.25 CSCSc1nccc(c1F)O 62a_100009876375_100011218213 [0,2,0,0,0,0|2,0,0]=4 7787 B12R1.25 CSCSc1nccc(c1F)O 62a_100011218213_100009876375 [0,2,0,0,0,0|2,0,0]=4 7788 B12R1.25 CSCSc1nccc(c1N)C 62a_100000763560_100011218213 [0,2,0,0,0,0|2,0,0]=4 7789 B12R1.25 CSCSc1nccc(c1N)C 62a_100011218213_100000763560 [0,2,0,0,0,0|2,0,0]=4 7790 B12R1.25 CSCSc1nccc(c1N)N 62a_100000085203_100011218213 [0,2,0,0,0,0|2,0,0]=4 7791 B12R1.25 CSCSc1nccc(c1N)N 62a_100011218213_100000085203 [0,2,0,0,0,0|2,0,0]=4 7792 B12R1.25 CSCSc1nccc(c1O)C 62a_100011218213_100000696282 [0,2,0,0,0,0|2,0,0]=4 7793 B12R1.25 CSCSc1nccc(c1O)F 62a_100011218213_100009867227 [0,2,0,0,0,0|2,0,0]=4 7794 B12R1.25 CSCSc1nccc(c1O)N 62a_100011218213_100009844647 [0,2,0,0,0,0|2,0,0]=4 7795 B12R1.25 Cc1c(cccc1CCN[13CH3])Br 2230a_100161000114_200025704644 [0,2,0,0,0,0|1,0,0]=3 7796 B12R1.25 Cc1c(cccc1CCN[13CH3])Br 34a_100161000114_200025704644 [0,2,0,0,0,0|1,0,0]=3 7797 B12R1.25 [13CH3]NCCc1cccc(c1Cl)Cl 2230a_100000741019_200025704644 [0,2,0,0,0,0|1,0,0]=3 7798 B12R1.25 [13CH3]NCCc1cccc(c1Cl)Cl 34a_100000741019_200025704644 [0,2,0,0,0,0|1,0,0]=3 7799 B12R1.25 [13CH3]OCCc1cccc(c1Cl)Cl 34a_100011754357_200025704644 [0,2,0,0,0,0|2,0,0]=4 7800 B12R1.25 [13CH3]OCCc1cccc(c1Cl)Cl 7a_100011754357_200025704644 [0,2,0,0,0,0|2,0,0]=4 7801 B12R1.25 [13CH3]OCCc1cccc(c1F)Cl 34a_100011830271_200025704644 [0,2,0,0,0,0|2,0,0]=4 7802 B12R1.25 [13CH3]OCCc1cccc(c1F)Cl 7a_100011830271_200025704644 [0,2,0,0,0,0|2,0,0]=4 7803 B12R1.25 [13CH3]OCCc1cccc(c1F)F 34a_100000698707_200025704644 [0,2,0,0,0,0|2,0,0]=4 7804 B12R1.25 [13CH3]OCCc1cccc(c1F)F 7a_100000698707_200025704644 [0,2,0,0,0,0|2,0,0]=4 7805 B12R1.25 [13CH3]SCCc1cccc(c1Cl)Cl 62a_100000723033_200025704644 [0,2,0,0,0,0|2,0,0]=4 7806 B12R1.25 [13CH3]SCCc1cccc(c1Cl)Cl 62a_200025704644_100000723033 [0,2,0,0,0,0|2,0,0]=4 7807 B12R1.121 C=Cc1cccnc1OCCC 271570a_100011290941_200011465209 [0,2,0,0,0,0|2,0,0]=4 7808 B12R1.121 C=Cc1cncnc1CCCC 271570a_100011290941_200009816989 [0,2,0,0,0,0|2,0,0]=4 7809 B12R1.121 CCCCc1ccccc1C#N 271570a_100020621405_100000188569 [0,2,0,0,0,0|2,0,0]=4 7810 B12R1.121 CCCCc1ccccc1C=O 271570a_100020621405_100000211189 [0,2,0,0,0,0|2,0,0]=4 7811 B12R1.121 CCCCc1ccccc1CC 271570a_100020621405_100011215823 [0,2,0,0,0,0|2,0,0]=4 7812 B12R1.121 CCCCc1ccccc1CN 271570a_100020621405_100000689332 [0,2,0,0,0,0|2,0,0]=4 7813 B12R1.121 CCCCc1ccccc1CO 271570a_100020621405_100000187465 [0,2,0,0,0,0|2,0,0]=4 7814 B12R1.121 CCCCc1ccccc1NC 2230a_200011217597_200000210301 [0,2,0,0,0,0|2,0,0]=4 7815 B12R1.121 CCCCc1ccccc1NC 271570a_100020621405_100020606079 [0,2,0,0,0,0|2,0,0]=4 7816 B12R1.121 CCCCc1ccccc1NC 34a_200011217597_200000210301 [0,2,0,0,0,0|2,0,0]=4 7817 B12R1.121 CCCCc1ccccc1NC 7a_200011217597_200000210301 [0,2,0,0,0,0|2,0,0]=4 7818 B12R1.121 CCCCc1ccccc1NN 271570a_100020621405_100000241748 [0,2,0,0,0,0|2,0,0]=4 7819 B12R1.121 CCCCc1ccccc1N[13CH3] 2230a_200011217597_200025704644 [0,2,0,0,0,0|2,0,0]=4 7820 B12R1.121 CCCCc1ccccc1N[13CH3] 34a_200011217597_200025704644 [0,2,0,0,0,0|2,0,0]=4 7821 B12R1.121 CCCCc1ccccc1N[13CH3] 7a_200011217597_200025704644 [0,2,0,0,0,0|2,0,0]=4 7822 B12R1.121 CCCCc1ccccc1OC 271570a_100020621405_100000174000 [0,2,0,0,0,0|2,0,0]=4 7823 B12R1.121 CCCCc1ccccc1SC 271570a_100020621405_100011217816 [0,2,0,0,0,0|2,0,0]=4 7824 B12R1.121 CCCCc1ncccc1C#N 271570a_100020621405_100000211984 [0,2,0,0,0,0|1,0,0]=3 7825 B12R1.121 CCCCc1ncccc1C=O 271570a_100020621405_100009816751 [0,2,0,0,0,0|1,0,0]=3 7826 B12R1.121 CCCCc1ncccc1CN 271570a_100020621405_100015189234 [0,2,0,0,0,0|1,0,0]=3 7827 B12R1.121 CCCCc1ncccc1CO 271570a_100020621405_100000748726 [0,2,0,0,0,0|1,0,0]=3 7828 B12R1.121 CCCCc1ncccc1NC 271570a_100020621405_200011806188 [0,2,0,0,0,0|1,0,0]=3 7829 B12R1.121 CCCCc1ncccc1OC 271570a_100020621405_100000690851 [0,2,0,0,0,0|1,0,0]=3 7830 B12R1.121 CCCCc1nccnc1C#N 271570a_100020621405_100000040484 [0,2,0,0,0,0|2,0,0]=4 7831 B12R1.121 CCCCc1nccnc1CC 271570a_100020621405_100011995844 [0,2,0,0,0,0|2,0,0]=4 7832 B12R1.121 CCCCc1nccnc1CN 271570a_100020621405_100000729963 [0,2,0,0,0,0|2,0,0]=4 7833 B12R1.121 CCCCc1nccnc1CO 271570a_100020621405_100000057004 [0,2,0,0,0,0|2,0,0]=4 7834 B12R1.121 CCCCc1nccnc1NC 271570a_100020621405_100011529439 [0,2,0,0,0,0|2,0,0]=4 7835 B12R1.121 CCCCc1nccnc1NN 271570a_100020621405_100000755098 [0,2,0,0,0,0|2,0,0]=4 7836 B12R1.121 CCCCc1nccnc1OC 271570a_100020621405_100000749998 [0,2,0,0,0,0|2,0,0]=4 7837 B12R1.121 CCCCc1ncncc1C#N 271570a_100020621405_100000687955 [0,2,0,0,0,0|2,0,0]=4 7838 B12R1.121 CCCCc1ncncc1CC 271570a_100020621405_200000100055 [0,2,0,0,0,0|2,0,0]=4 7839 B12R1.121 CCCCc1ncncc1NC 27a_100102657272_200009816989 [0,2,0,0,0,0|2,0,0]=4 7840 B12R1.121 CCCCc1ncncc1OC 271570a_100020621405_100012001275 [0,2,0,0,0,0|2,0,0]=4 7841 B12R1.121 CCCCc1ncncc1SC 62a_200000210301_200009816989 [0,2,0,0,0,0|2,0,0]=4 7842 B12R1.121 CCCCc1ncncc1SC 62a_200009816989_200000210301 [0,2,0,0,0,0|2,0,0]=4 7843 B12R1.121 CCCCc1ncncc1S[13CH3] 62a_200009816989_200025704644 [0,2,0,0,0,0|2,0,0]=4 7844 B12R1.121 CCCCc1ncncc1S[13CH3] 62a_200025704644_200009816989 [0,2,0,0,0,0|2,0,0]=4 7845 B12R1.121 CCCCc1nnccc1C#N 271570a_100020621405_100000100742 [0,2,0,0,0,0|2,0,0]=4 7846 B12R1.121 CCCOc1ncccc1OC 34a_100025773188_100000210303 [0,2,0,0,0,0|2,0,0]=4 7847 B12R1.121 CCCOc1ncccc1SC 62a_200000210301_200011465209 [0,2,0,0,0,0|2,0,0]=4 7848 B12R1.121 CCCOc1ncccc1SC 62a_200011465209_200000210301 [0,2,0,0,0,0|2,0,0]=4 7849 B12R1.121 CCCOc1ncccc1S[13CH3] 62a_200011465209_200025704644 [0,2,0,0,0,0|2,0,0]=4 7850 B12R1.121 CCCOc1ncccc1S[13CH3] 62a_200025704644_200011465209 [0,2,0,0,0,0|2,0,0]=4 7851 B12R1.121 CCCSc1ncccc1C#N 62a_100000210303_100000211984 [0,2,0,0,0,0|2,0,0]=4 7852 B12R1.121 CCCSc1ncccc1C=O 62a_100000210303_100009816751 [0,2,0,0,0,0|2,0,0]=4 7853 B12R1.121 CCCSc1ncccc1C=O 62a_100009816751_100000210303 [0,2,0,0,0,0|2,0,0]=4 7854 B12R1.121 CCCSc1ncccc1CN 62a_100000210303_100015189234 [0,2,0,0,0,0|2,0,0]=4 7855 B12R1.121 CCCSc1ncccc1CN 62a_100015189234_100000210303 [0,2,0,0,0,0|2,0,0]=4 7856 B12R1.121 CCCSc1ncccc1CO 62a_100000210303_100000748726 [0,2,0,0,0,0|2,0,0]=4 7857 B12R1.121 CCCSc1ncccc1CO 62a_100000748726_100000210303 [0,2,0,0,0,0|2,0,0]=4 7858 B12R1.121 CCCSc1ncccc1NC 62a_100000210303_200011806188 [0,2,0,0,0,0|2,0,0]=4 7859 B12R1.121 CCCSc1ncccc1OC 62a_100000210303_100000690851 [0,2,0,0,0,0|2,0,0]=4 7860 B12R1.121 CCCSc1ncccc1OC 62a_100000767102_100000210303 [0,2,0,0,0,0|2,0,0]=4 7861 B12R1.121 CCNCc1ncccc1C#N 2230a_100015525214_100000099805 [0,2,0,0,0,0|2,0,0]=4 7862 B12R1.121 CCNCc1ncccc1OC 207a_100015525214_100011912573 [0,2,0,0,0,0|2,0,0]=4 7863 B12R1.121 CCNCc1ncccc1OC 270004a_100015525214_100011912573 [0,2,0,0,0,0|2,0,0]=4 7864 B12R1.121 CCOCc1ncccc1OC 34a_100011998681_100000210202 [0,2,0,0,0,0|2,0,0]=4 7865 B12R1.121 CCSCc1ncccc1C#N 62a_100000210202_100000099805 [0,2,0,0,0,0|2,0,0]=4 7866 B12R1.121 CCc1ccccc1CCNC 2230a_100011663701_200000210301 [0,2,0,0,0,0|1,0,0]=3 7867 B12R1.121 CCc1ccccc1CCNC 34a_100011663701_200000210301 [0,2,0,0,0,0|1,0,0]=3 7868 B12R1.121 CCc1ccccc1CCN[13CH3] 2230a_100011663701_200025704644 [0,2,0,0,0,0|1,0,0]=3 7869 B12R1.121 CCc1ccccc1CCN[13CH3] 34a_100011663701_200025704644 [0,2,0,0,0,0|1,0,0]=3 7870 B12R1.121 CNCCc1ccccc1C#N 2230a_106832991635_200013032965 [0,2,0,0,0,0|1,0,0]=3 7871 B12R1.121 CNCCc1ccccc1C#N 34a_100102657272_200013032965 [0,2,0,0,0,0|1,0,0]=3 7872 B12R1.121 CNCCc1ccccc1C#N 7a_106832991635_200013032965 [0,2,0,0,0,0|1,0,0]=3 7873 B12R1.121 CNCCc1ccccc1C=O 2230a_106832991635_100010186698 [0,2,0,0,0,0|1,0,0]=3 7874 B12R1.121 CNCCc1ccccc1C=O 34a_100102657272_100010186698 [0,2,0,0,0,0|1,0,0]=3 7875 B12R1.121 CNCCc1ccccc1C=O 7a_106832991635_100010186698 [0,2,0,0,0,0|1,0,0]=3 7876 B12R1.121 CNCCc1ccccc1OC 2230a_100000211851_200000210301 [0,2,0,0,0,0|1,0,0]=3 7877 B12R1.121 CNCCc1ccccc1OC 2230a_106832991635_100011713687 [0,2,0,0,0,0|1,0,0]=3 7878 B12R1.121 CNCCc1ccccc1OC 270004a_106832991635_100011713418 [0,2,0,0,0,0|1,0,0]=3 7879 B12R1.121 CNCCc1ccccc1OC 34a_100000211851_200000210301 [0,2,0,0,0,0|1,0,0]=3 7880 B12R1.121 CNCCc1ccccc1OC 34a_100102657272_100011713687 [0,2,0,0,0,0|1,0,0]=3 7881 B12R1.121 CNCCc1ccccc1OC 7a_106832991635_100011713687 [0,2,0,0,0,0|1,0,0]=3 7882 B12R1.121 CNCCc1ccccc1[Pd]Cl 2230a_106741704370_200000210301 [0,2,0,0,0,0|1,0,0]=3 7883 B12R1.121 CNCCc1ccccc1[Pd]Cl 34a_106741704370_200000210301 [0,2,0,0,0,0|1,0,0]=3 7884 B12R1.121 CNCCc1ccccc1[Pd]Cl 7a_106741704370_200000210301 [0,2,0,0,0,0|1,0,0]=3 7885 B12R1.121 CNc1cccnc1SCOC 62a_100000766300_200011806188 [0,2,0,0,0,0|2,0,0]=4 7886 B12R1.121 CNc1cccnc1SCSC 62a_100011218213_200011806188 [0,2,0,0,0,0|2,0,0]=4 7887 B12R1.121 COCCc1ccccc1C#N 34a_100138415774_200013032965 [0,2,0,0,0,0|2,0,0]=4 7888 B12R1.121 COCCc1ccccc1C=O 34a_100138415774_100010186698 [0,2,0,0,0,0|2,0,0]=4 7889 B12R1.121 COCCc1ccccc1OC 34a_100000722730_200000210301 [0,2,0,0,0,0|2,0,0]=4 7890 B12R1.121 COCCc1ccccc1OC 34a_100011218620_200000210301 [0,2,0,0,0,0|2,0,0]=4 7891 B12R1.121 COCCc1ccccc1OC 34a_100138415774_100011713687 [0,2,0,0,0,0|2,0,0]=4 7892 B12R1.121 COCCc1ccccc1OC 7a_100000722730_200000210301 [0,2,0,0,0,0|2,0,0]=4 7893 B12R1.121 COCCc1ccccc1OC 7a_100011218620_200000210301 [0,2,0,0,0,0|2,0,0]=4 7894 B12R1.121 COCCc1ccccc1O[13CH3] 34a_100000722730_200025704644 [0,2,0,0,0,0|2,0,0]=4 7895 B12R1.121 COCCc1ccccc1O[13CH3] 7a_100000722730_200025704644 [0,2,0,0,0,0|2,0,0]=4 7896 B12R1.121 COCSc1ncccc1C#N 62a_100000766300_100000211984 [0,2,0,0,0,0|2,0,0]=4 7897 B12R1.121 COCSc1ncccc1C=O 62a_100000766300_100009816751 [0,2,0,0,0,0|2,0,0]=4 7898 B12R1.121 COCSc1ncccc1C=O 62a_100009816751_100000766300 [0,2,0,0,0,0|2,0,0]=4 7899 B12R1.121 COCSc1ncccc1CN 62a_100000766300_100015189234 [0,2,0,0,0,0|2,0,0]=4 7900 B12R1.121 COCSc1ncccc1CN 62a_100015189234_100000766300 [0,2,0,0,0,0|2,0,0]=4 7901 B12R1.121 COCSc1ncccc1CO 62a_100000748726_100000766300 [0,2,0,0,0,0|2,0,0]=4 7902 B12R1.121 COCSc1ncccc1CO 62a_100000766300_100000748726 [0,2,0,0,0,0|2,0,0]=4 7903 B12R1.121 COCSc1ncccc1OC 62a_100000766300_100000690851 [0,2,0,0,0,0|2,0,0]=4 7904 B12R1.121 COCSc1ncccc1OC 62a_100000767102_100000766300 [0,2,0,0,0,0|2,0,0]=4 7905 B12R1.121 COc1ccccc1CCN[13CH3] 2230a_100000211851_200025704644 [0,2,0,0,0,0|1,0,0]=3 7906 B12R1.121 COc1ccccc1CCN[13CH3] 34a_100000211851_200025704644 [0,2,0,0,0,0|1,0,0]=3 7907 B12R1.121 COc1ccccc1CCO[13CH3] 34a_100011218620_200025704644 [0,2,0,0,0,0|2,0,0]=4 7908 B12R1.121 COc1ccccc1CCO[13CH3] 7a_100011218620_200025704644 [0,2,0,0,0,0|2,0,0]=4 7909 B12R1.121 COc1ccccc1CCSC 62a_100011713687_200000210301 [0,2,0,0,0,0|2,0,0]=4 7910 B12R1.121 COc1ccccc1CCSC 62a_200000210301_100011713687 [0,2,0,0,0,0|2,0,0]=4 7911 B12R1.121 COc1ccccc1CCS[13CH3] 62a_100011713687_200025704644 [0,2,0,0,0,0|2,0,0]=4 7912 B12R1.121 COc1ccccc1CCS[13CH3] 62a_200025704644_100011713687 [0,2,0,0,0,0|2,0,0]=4 7913 B12R1.121 COc1cccnc1OCSC 34a_100025773188_100011218213 [0,2,0,0,0,0|2,0,0]=4 7914 B12R1.121 COc1cccnc1SCSC 62a_100000767102_100011218213 [0,2,0,0,0,0|2,0,0]=4 7915 B12R1.121 COc1cccnc1SCSC 62a_100011218213_100000690851 [0,2,0,0,0,0|2,0,0]=4 7916 B12R1.121 CSCCc1ccccc1C#N 62a_200000210301_200013032965 [0,2,0,0,0,0|2,0,0]=4 7917 B12R1.121 CSCCc1ccccc1C=O 62a_100010186698_200000210301 [0,2,0,0,0,0|2,0,0]=4 7918 B12R1.121 CSCCc1ccccc1C=O 62a_200000210301_100010186698 [0,2,0,0,0,0|2,0,0]=4 7919 B12R1.121 CSCSc1ncccc1C#N 62a_100011218213_100000211984 [0,2,0,0,0,0|2,0,0]=4 7920 B12R1.121 CSCSc1ncccc1C=O 62a_100009816751_100011218213 [0,2,0,0,0,0|2,0,0]=4 7921 B12R1.121 CSCSc1ncccc1C=O 62a_100011218213_100009816751 [0,2,0,0,0,0|2,0,0]=4 7922 B12R1.121 CSCSc1ncccc1CN 62a_100011218213_100015189234 [0,2,0,0,0,0|2,0,0]=4 7923 B12R1.121 CSCSc1ncccc1CN 62a_100015189234_100011218213 [0,2,0,0,0,0|2,0,0]=4 7924 B12R1.121 CSCSc1ncccc1CO 62a_100000748726_100011218213 [0,2,0,0,0,0|2,0,0]=4 7925 B12R1.121 CSCSc1ncccc1CO 62a_100011218213_100000748726 [0,2,0,0,0,0|2,0,0]=4 7926 B12R1.121 [13CH3]NCCc1ccccc1[Pd]Cl 2230a_106741704370_200025704644 [0,2,0,0,0,0|1,0,0]=3 7927 B12R1.121 [13CH3]NCCc1ccccc1[Pd]Cl 34a_106741704370_200025704644 [0,2,0,0,0,0|1,0,0]=3 7928 B12R1.121 [13CH3]NCCc1ccccc1[Pd]Cl 7a_106741704370_200025704644 [0,2,0,0,0,0|1,0,0]=3 7929 B12R1.121 [13CH3]SCCc1ccccc1C#N 62a_200025704644_200013032965 [0,2,0,0,0,0|2,0,0]=4 7930 B12R1.121 [13CH3]SCCc1ccccc1C=O 62a_100010186698_200025704644 [0,2,0,0,0,0|2,0,0]=4 7931 B12R1.121 [13CH3]SCCc1ccccc1C=O 62a_200025704644_100010186698 [0,2,0,0,0,0|2,0,0]=4 7932 B12R1.125 C=C(C)CNc1ncccc1Br 27a_100000765925_100000696092 [0,2,0,0,0,0|2,0,0]=4 7933 B12R1.125 C=C(C)COc1ncccc1Cl 34a_100011290957_100000748629 [0,2,0,0,0,0|2,0,0]=4 7934 B12R1.125 C=C(C)COc1ncccc1F 34a_100011219419_100000748629 [0,2,0,0,0,0|2,0,0]=4 7935 B12R1.125 C=C(C)COc1ncccc1N 34a_100000746358_100000748629 [0,2,0,0,0,0|2,0,0]=4 7936 B12R1.125 C=C(C)CSc1ncccc1Br 62a_100000696092_100000211660 [0,2,0,0,0,0|2,0,0]=4 7937 B12R1.125 C=C(C)CSc1ncccc1Br 62a_100000748629_100000696092 [0,2,0,0,0,0|2,0,0]=4 7938 B12R1.125 C=C(C)CSc1ncccc1C 62a_100000748629_100000751373 [0,2,0,0,0,0|2,0,0]=4 7939 B12R1.125 C=C(C)CSc1ncccc1C 62a_100000751373_100000211660 [0,2,0,0,0,0|2,0,0]=4 7940 B12R1.125 C=C(C)CSc1ncccc1Cl 62a_100000748629_100011356963 [0,2,0,0,0,0|2,0,0]=4 7941 B12R1.125 C=C(C)CSc1ncccc1Cl 62a_100011356963_100000211660 [0,2,0,0,0,0|2,0,0]=4 7942 B12R1.125 C=C(C)CSc1ncccc1F 62a_100000685392_100000211660 [0,2,0,0,0,0|2,0,0]=4 7943 B12R1.125 C=C(C)CSc1ncccc1F 62a_100000748629_100000685392 [0,2,0,0,0,0|2,0,0]=4 7944 B12R1.125 C=C(C)CSc1ncccc1N 62a_100000688686_100000211660 [0,2,0,0,0,0|2,0,0]=4 7945 B12R1.125 C=C(C)CSc1ncccc1N 62a_100000748629_100000688686 [0,2,0,0,0,0|2,0,0]=4 7946 B12R1.125 C=C(C)CSc1ncccc1O 62a_100000034122_100000211660 [0,2,0,0,0,0|2,0,0]=4 7947 B12R1.125 C=C(C)CSc1ncccc1O 62a_100000748629_100000034122 [0,2,0,0,0,0|2,0,0]=4 7948 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [0,2,0,0,0,0|2,0,0]=4 7949 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [0,2,0,0,0,0|2,0,0]=4 7950 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [0,2,0,0,0,0|2,0,0]=4 7951 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [0,2,0,0,0,0|2,0,0]=4 7952 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [0,2,0,0,0,0|2,0,0]=4 7953 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [0,2,0,0,0,0|2,0,0]=4 7954 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [0,2,0,0,0,0|2,0,0]=4 7955 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [0,2,0,0,0,0|2,0,0]=4 7956 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [0,2,0,0,0,0|2,0,0]=4 7957 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [0,2,0,0,0,0|2,0,0]=4 7958 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [0,2,0,0,0,0|2,0,0]=4 7959 B12R1.125 CC(=O)NCc1ncccc1Br 11a_100020591323_100015343762 [0,2,0,0,0,0|2,0,0]=4 7960 B12R1.125 CC(=O)NCc1ncccc1Br 240690a_100020591323_100015343762 [0,2,0,0,0,0|2,0,0]=4 7961 B12R1.125 CC(=O)NCc1ncccc1Br 527a_100020591323_100103153847 [0,2,0,0,0,0|2,0,0]=4 7962 B12R1.125 CC(=O)NCc1ncccc1C 11a_100011223789_100015343762 [0,2,0,0,0,0|2,0,0]=4 7963 B12R1.125 CC(=O)NCc1ncccc1C 1626a_100011223789_100015343762 [0,2,0,0,0,0|2,0,0]=4 7964 B12R1.125 CC(=O)NCc1ncccc1C 240690a_100011223789_100015343762 [0,2,0,0,0,0|2,0,0]=4 7965 B12R1.125 CC(=O)NCc1ncccc1C 527a_100011223789_100103153847 [0,2,0,0,0,0|2,0,0]=4 7966 B12R1.125 CC(=O)NCc1ncccc1Cl 11a_100015189233_100015343762 [0,2,0,0,0,0|2,0,0]=4 7967 B12R1.125 CC(=O)NCc1ncccc1Cl 1626a_100015189233_100015343762 [0,2,0,0,0,0|2,0,0]=4 7968 B12R1.125 CC(=O)NCc1ncccc1Cl 240690a_100015189233_100015343762 [0,2,0,0,0,0|2,0,0]=4 7969 B12R1.125 CC(=O)NCc1ncccc1Cl 527a_100015189233_100103153847 [0,2,0,0,0,0|2,0,0]=4 7970 B12R1.125 CC(=O)NCc1ncccc1F 11a_100000690088_100015343762 [0,2,0,0,0,0|2,0,0]=4 7971 B12R1.125 CC(=O)NCc1ncccc1F 1626a_100000690088_100015343762 [0,2,0,0,0,0|2,0,0]=4 7972 B12R1.125 CC(=O)NCc1ncccc1F 240690a_100000690088_100015343762 [0,2,0,0,0,0|2,0,0]=4 7973 B12R1.125 CC(=O)NCc1ncccc1F 527a_100000690088_100103153847 [0,2,0,0,0,0|2,0,0]=4 7974 B12R1.125 CC(C)CCc1ncncc1O 271570a_203496583355_200009816994 [0,2,0,0,0,0|2,0,0]=4 7975 B12R1.125 CC(C)CNc1ncccc1Br 27a_100000210953_100000696092 [0,2,0,0,0,0|2,0,0]=4 7976 B12R1.125 CC(C)COc1ncccc1Cl 34a_100011290957_100000210624 [0,2,0,0,0,0|2,0,0]=4 7977 B12R1.125 CC(C)COc1ncccc1F 34a_100011219419_100000210624 [0,2,0,0,0,0|2,0,0]=4 7978 B12R1.125 CC(C)COc1ncccc1N 34a_100000746358_100000210624 [0,2,0,0,0,0|2,0,0]=4 7979 B12R1.125 CC(C)CSc1ncccc1Br 62a_100000210624_100000696092 [0,2,0,0,0,0|2,0,0]=4 7980 B12R1.125 CC(C)CSc1ncccc1Br 62a_100000696092_100000210760 [0,2,0,0,0,0|2,0,0]=4 7981 B12R1.125 CC(C)CSc1ncccc1Cl 62a_100000210624_100011356963 [0,2,0,0,0,0|2,0,0]=4 7982 B12R1.125 CC(C)CSc1ncccc1Cl 62a_100011356963_100000210760 [0,2,0,0,0,0|2,0,0]=4 7983 B12R1.125 CC(C)CSc1ncccc1F 62a_100000210624_100000685392 [0,2,0,0,0,0|2,0,0]=4 7984 B12R1.125 CC(C)CSc1ncccc1F 62a_100000685392_100000210760 [0,2,0,0,0,0|2,0,0]=4 7985 B12R1.125 CC(C)CSc1ncccc1N 62a_100000210624_100000688686 [0,2,0,0,0,0|2,0,0]=4 7986 B12R1.125 CC(C)CSc1ncccc1N 62a_100000688686_100000210760 [0,2,0,0,0,0|2,0,0]=4 7987 B12R1.125 CC(C)CSc1ncccc1O 62a_100000034122_100000210760 [0,2,0,0,0,0|2,0,0]=4 7988 B12R1.125 CC(C)CSc1ncccc1O 62a_100000210624_100000034122 [0,2,0,0,0,0|2,0,0]=4 7989 B12R1.125 CC(C)NCc1ncccc1Br 207a_100138425928_100011934733 [0,2,0,0,0,0|2,0,0]=4 7990 B12R1.125 CC(C)NCc1ncccc1Br 2230a_100138425928_100025702911 [0,2,0,0,0,0|2,0,0]=4 7991 B12R1.125 CC(C)NCc1ncccc1Br 34a_100138425928_100025702911 [0,2,0,0,0,0|2,0,0]=4 7992 B12R1.125 CC(C)NCc1ncccc1Cl 207a_100138425928_100012001307 [0,2,0,0,0,0|2,0,0]=4 7993 B12R1.125 CC(C)NCc1ncccc1Cl 2230a_100015189233_100000210206 [0,2,0,0,0,0|2,0,0]=4 7994 B12R1.125 CC(C)NCc1ncccc1Cl 2230a_100138425928_100000099807 [0,2,0,0,0,0|2,0,0]=4 7995 B12R1.125 CC(C)NCc1ncccc1F 207a_100138425928_100011934734 [0,2,0,0,0,0|2,0,0]=4 7996 B12R1.125 CC(C)NCc1ncccc1F 2230a_100138425928_100000104219 [0,2,0,0,0,0|2,0,0]=4 7997 B12R1.125 CC(C)NCc1ncccc1F 34a_100000690088_100000210206 [0,2,0,0,0,0|2,0,0]=4 7998 B12R1.125 CC(C)NCc1ncccc1F 34a_100138425928_100000104219 [0,2,0,0,0,0|2,0,0]=4 7999 B12R1.125 CC(C)NCc1ncccc1O 34a_100138425928_200020655725 [0,2,0,0,0,0|2,0,0]=4 8000 B12R1.125 CC(C)OCc1ncccc1Br 34a_100000212225_100025702911 [0,2,0,0,0,0|2,0,0]=4 8001 B12R1.125 CC(C)OCc1ncccc1Br 34a_100011996772_100000210206 [0,2,0,0,0,0|2,0,0]=4 8002 B12R1.125 CC(C)OCc1ncccc1Cl 34a_100012002383_100000210206 [0,2,0,0,0,0|2,0,0]=4 8003 B12R1.125 CC(C)OCc1ncccc1F 34a_100000212225_100000104219 [0,2,0,0,0,0|2,0,0]=4 8004 B12R1.125 CC(C)OCc1ncccc1F 34a_100011934865_100000210206 [0,2,0,0,0,0|2,0,0]=4 8005 B12R1.125 CC(C)OCc1ncccc1N 34a_114873767017_100000210206 [0,2,0,0,0,0|2,0,0]=4 8006 B12R1.125 CC(C)OCc1ncccc1O 34a_100000212225_200020655725 [0,2,0,0,0,0|2,0,0]=4 8007 B12R1.125 CC(C)SCc1ncccc1Br 62a_100000210206_100025702911 [0,2,0,0,0,0|2,0,0]=4 8008 B12R1.125 CC(C)SCc1ncccc1Br 62a_100025702911_100000210206 [0,2,0,0,0,0|2,0,0]=4 8009 B12R1.125 CC(C)SCc1ncccc1Cl 62a_100000099807_100000210206 [0,2,0,0,0,0|2,0,0]=4 8010 B12R1.125 CC(C)SCc1ncccc1Cl 62a_100000210206_100000099807 [0,2,0,0,0,0|2,0,0]=4 8011 B12R1.125 CC(C)SCc1ncccc1F 62a_100000104219_100000210206 [0,2,0,0,0,0|2,0,0]=4 8012 B12R1.125 CC(C)SCc1ncccc1F 62a_100000210206_100000104219 [0,2,0,0,0,0|2,0,0]=4 8013 B12R1.125 CC(C)SCc1ncccc1O 62a_100000210206_200020655725 [0,2,0,0,0,0|2,0,0]=4 8014 B12R1.125 CC(C)SCc1ncccc1O 62a_200020655725_100000210206 [0,2,0,0,0,0|2,0,0]=4 8015 B12R1.125 CC(O)CNc1ncccc1Br 27a_100000210904_100000696092 [0,2,0,0,0,0|2,0,0]=4 8016 B12R1.125 CC(O)COc1ncccc1Cl 34a_100011290957_100011218427 [0,2,0,0,0,0|2,0,0]=4 8017 B12R1.125 CC(O)COc1ncccc1F 34a_100011219419_100011218427 [0,2,0,0,0,0|2,0,0]=4 8018 B12R1.125 CC(O)COc1ncccc1N 34a_100000746358_100011218427 [0,2,0,0,0,0|2,0,0]=4 8019 B12R1.125 CC(O)CSc1ncccc1Br 62a_100000696092_100011218427 [0,2,0,0,0,0|2,0,0]=4 8020 B12R1.125 CC(O)CSc1ncccc1Br 62a_100011218427_100000696092 [0,2,0,0,0,0|2,0,0]=4 8021 B12R1.125 CC(O)CSc1ncccc1Cl 62a_100011218427_100011356963 [0,2,0,0,0,0|2,0,0]=4 8022 B12R1.125 CC(O)CSc1ncccc1Cl 62a_100011356963_100011218427 [0,2,0,0,0,0|2,0,0]=4 8023 B12R1.125 CC(O)CSc1ncccc1F 62a_100000685392_100011218427 [0,2,0,0,0,0|2,0,0]=4 8024 B12R1.125 CC(O)CSc1ncccc1F 62a_100011218427_100000685392 [0,2,0,0,0,0|2,0,0]=4 8025 B12R1.125 CC(O)CSc1ncccc1N 62a_100000688686_100011218427 [0,2,0,0,0,0|2,0,0]=4 8026 B12R1.125 CC(O)CSc1ncccc1N 62a_100011218427_100000688686 [0,2,0,0,0,0|2,0,0]=4 8027 B12R1.125 CC(O)CSc1ncccc1O 62a_100000034122_100011218427 [0,2,0,0,0,0|2,0,0]=4 8028 B12R1.125 CC(O)CSc1ncccc1O 62a_100011218427_100000034122 [0,2,0,0,0,0|2,0,0]=4 8029 B12R1.125 CN(C)CCc1ccccc1Br 2230a_100102631434_100012161201 [0,2,0,0,0,0|1,0,0]=3 8030 B12R1.125 CN(C)CCc1ccccc1Br 269982a_100102631434_100012161201 [0,2,0,0,0,0|1,0,0]=3 8031 B12R1.125 CN(C)CCc1ccccc1Cl 2230a_100102631434_100011713703 [0,2,0,0,0,0|1,0,0]=3 8032 B12R1.125 CN(C)CCc1ccccc1Cl 269982a_100102631434_100011713703 [0,2,0,0,0,0|1,0,0]=3 8033 B12R1.125 CN(C)CCc1ccccc1Cl 270004a_100102631434_200011713468 [0,2,0,0,0,0|1,0,0]=3 8034 B12R1.125 CN(C)CCc1ccccc1F 2230a_100000232559_200000210301 [0,2,0,0,0,0|1,0,0]=3 8035 B12R1.125 CN(C)CCc1ccccc1F 2230a_100102631434_100011713696 [0,2,0,0,0,0|1,0,0]=3 8036 B12R1.125 CN(C)CCc1ccccc1F 269982a_100000232559_200000210301 [0,2,0,0,0,0|1,0,0]=3 8037 B12R1.125 CN(C)CCc1ccccc1F 269982a_100102631434_100011713696 [0,2,0,0,0,0|1,0,0]=3 8038 B12R1.125 CN(C)CCc1ccccc1F 34a_100000232559_200000210301 [0,2,0,0,0,0|1,0,0]=3 8039 B12R1.125 CN(C)CCc1ccccc1O 269982a_100102631434_100000722297 [0,2,0,0,0,0|1,0,0]=3 8040 B12R1.125 CN([13CH3])CCc1ccccc1F 2230a_100000232559_200025704644 [0,2,0,0,0,0|1,0,0]=3 8041 B12R1.125 CN([13CH3])CCc1ccccc1F 269982a_100000232559_200025704644 [0,2,0,0,0,0|1,0,0]=3 8042 B12R1.125 CN([13CH3])CCc1ccccc1F 34a_100000232559_200025704644 [0,2,0,0,0,0|1,0,0]=3 8043 B12R1.125 C[C@@H](O)COc1ncccc1Cl 34a_100011290957_100009817552 [0,2,0,0,0,0|2,0,0]=4 8044 B12R1.125 C[C@@H](O)COc1ncccc1F 34a_100011219419_100009817552 [0,2,0,0,0,0|2,0,0]=4 8045 B12R1.125 C[C@@H](O)COc1ncccc1N 34a_100000746358_100009817552 [0,2,0,0,0,0|2,0,0]=4 8046 B12R1.125 C[C@@H](O)CSc1ncccc1Br 62a_100000696092_100009817552 [0,2,0,0,0,0|2,0,0]=4 8047 B12R1.125 C[C@@H](O)CSc1ncccc1Br 62a_100009817552_100000696092 [0,2,0,0,0,0|2,0,0]=4 8048 B12R1.125 C[C@@H](O)CSc1ncccc1Cl 62a_100009817552_100011356963 [0,2,0,0,0,0|2,0,0]=4 8049 B12R1.125 C[C@@H](O)CSc1ncccc1Cl 62a_100011356963_100009817552 [0,2,0,0,0,0|2,0,0]=4 8050 B12R1.125 C[C@@H](O)CSc1ncccc1F 62a_100000685392_100009817552 [0,2,0,0,0,0|2,0,0]=4 8051 B12R1.125 C[C@@H](O)CSc1ncccc1F 62a_100009817552_100000685392 [0,2,0,0,0,0|2,0,0]=4 8052 B12R1.125 C[C@@H](O)CSc1ncccc1N 62a_100000688686_100009817552 [0,2,0,0,0,0|2,0,0]=4 8053 B12R1.125 C[C@@H](O)CSc1ncccc1N 62a_100009817552_100000688686 [0,2,0,0,0,0|2,0,0]=4 8054 B12R1.125 C[C@@H](O)CSc1ncccc1O 62a_100000034122_100009817552 [0,2,0,0,0,0|2,0,0]=4 8055 B12R1.125 C[C@@H](O)CSc1ncccc1O 62a_100009817552_100000034122 [0,2,0,0,0,0|2,0,0]=4 8056 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [0,2,0,0,0,0|2,0,0]=4 8057 B12R1.125 Cc1ccccc1CCN(C)C 2230a_100102631434_100011713688 [0,2,0,0,0,0|1,0,0]=3 8058 B12R1.125 Cc1ccccc1CCN(C)C 269982a_100102631434_100011713688 [0,2,0,0,0,0|1,0,0]=3 8059 B12R1.125 Cc1cccnc1CNC(C)C 207a_100138425928_100000698913 [0,2,0,0,0,0|2,0,0]=4 8060 B12R1.125 Cc1cccnc1CNC(C)C 2230a_100138425928_100000696600 [0,2,0,0,0,0|2,0,0]=4 8061 B12R1.125 Cc1cccnc1CNC(C)C 34a_100011223789_100000210206 [0,2,0,0,0,0|2,0,0]=4 8062 B12R1.125 Cc1cccnc1CNC(C)C 34a_100138425928_100000696600 [0,2,0,0,0,0|2,0,0]=4 8063 B12R1.125 Cc1cccnc1COC(C)C 34a_100000212225_100000696600 [0,2,0,0,0,0|2,0,0]=4 8064 B12R1.125 Cc1cccnc1COC(C)C 34a_100000698912_100000210206 [0,2,0,0,0,0|2,0,0]=4 8065 B12R1.125 Cc1cccnc1CSC(C)C 62a_100000210206_100000696600 [0,2,0,0,0,0|2,0,0]=4 8066 B12R1.125 Cc1cccnc1CSC(C)C 62a_100000696600_100000210206 [0,2,0,0,0,0|2,0,0]=4 8067 B12R1.125 Cc1cccnc1SCC(C)C 62a_100000210624_100000751373 [0,2,0,0,0,0|2,0,0]=4 8068 B12R1.125 Cc1cccnc1SCC(C)C 62a_100000751373_100000210760 [0,2,0,0,0,0|2,0,0]=4 8069 B12R1.125 Cc1cccnc1SCC(C)O 62a_100000751373_100011218427 [0,2,0,0,0,0|2,0,0]=4 8070 B12R1.125 Cc1cccnc1SCC(C)O 62a_100011218427_100000751373 [0,2,0,0,0,0|2,0,0]=4 8071 B12R1.125 Cc1cccnc1SC[C@@H](C)O 62a_100000751373_100009817552 [0,2,0,0,0,0|2,0,0]=4 8072 B12R1.125 Cc1cccnc1SC[C@@H](C)O 62a_100009817552_100000751373 [0,2,0,0,0,0|2,0,0]=4 8073 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [0,2,0,0,0,0|2,0,0]=4 8074 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [0,2,0,0,0,0|2,0,0]=4 8075 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [0,2,0,0,0,0|2,0,0]=4 8076 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [0,2,0,0,0,0|2,0,0]=4 8077 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [0,2,0,0,0,0|2,0,0]=4 8078 B12R1.267 BrCCOCc1ncccc1Br 34a_100000211926_100025702911 [0,2,0,0,0,0|2,0,0]=4 8079 B12R1.267 C#CCCNc1ncccc1Br 27a_100000755551_100000696092 [0,2,0,0,0,0|1,0,1]=4 8080 B12R1.267 C#CCCOc1ncccc1Cl 34a_100011290957_100000688953 [0,2,0,0,0,0|1,0,1]=4 8081 B12R1.267 C#CCCOc1ncccc1F 34a_100011219419_100000688953 [0,2,0,0,0,0|1,0,1]=4 8082 B12R1.267 C#CCCOc1ncccc1N 34a_100000746358_100000688953 [0,2,0,0,0,0|1,0,1]=4 8083 B12R1.267 C#CCCSc1ncccc1Br 62a_100000688953_100000696092 [0,2,0,0,0,0|1,0,1]=4 8084 B12R1.267 C#CCCSc1ncccc1Br 62a_100000696092_100000688953 [0,2,0,0,0,0|1,0,1]=4 8085 B12R1.267 C#CCCSc1ncccc1C 62a_100000688953_100000751373 [0,2,0,0,0,0|1,0,1]=4 8086 B12R1.267 C#CCCSc1ncccc1C 62a_100000751373_100000688953 [0,2,0,0,0,0|1,0,1]=4 8087 B12R1.267 C#CCCSc1ncccc1Cl 62a_100000688953_100011356963 [0,2,0,0,0,0|1,0,1]=4 8088 B12R1.267 C#CCCSc1ncccc1Cl 62a_100011356963_100000688953 [0,2,0,0,0,0|1,0,1]=4 8089 B12R1.267 C#CCCSc1ncccc1F 62a_100000685392_100000688953 [0,2,0,0,0,0|1,0,1]=4 8090 B12R1.267 C#CCCSc1ncccc1F 62a_100000688953_100000685392 [0,2,0,0,0,0|1,0,1]=4 8091 B12R1.267 C#CCCSc1ncccc1N 62a_100000688686_100000688953 [0,2,0,0,0,0|1,0,1]=4 8092 B12R1.267 C#CCCSc1ncccc1N 62a_100000688953_100000688686 [0,2,0,0,0,0|1,0,1]=4 8093 B12R1.267 C#CCCSc1ncccc1O 62a_100000034122_100000688953 [0,2,0,0,0,0|1,0,1]=4 8094 B12R1.267 C#CCCSc1ncccc1O 62a_100000688953_100000034122 [0,2,0,0,0,0|1,0,1]=4 8095 B12R1.267 C#CCNCc1ncccc1Br 34a_100000212058_100025702911 [0,2,0,0,0,0|1,0,1]=4 8096 B12R1.267 C#CCNCc1ncccc1C 34a_100000212058_100000696600 [0,2,0,0,0,0|1,0,1]=4 8097 B12R1.267 C#CCNCc1ncccc1C 34a_100011223789_100000184674 [0,2,0,0,0,0|1,0,1]=4 8098 B12R1.267 C#CCNCc1ncccc1Cl 2230a_100015189233_100000038162 [0,2,0,0,0,0|1,0,1]=4 8099 B12R1.267 C#CCNCc1ncccc1F 34a_100000212058_100000104219 [0,2,0,0,0,0|1,0,1]=4 8100 B12R1.267 C#CCNCc1ncccc1F 34a_100000690088_100000184674 [0,2,0,0,0,0|1,0,1]=4 8101 B12R1.267 C#CCNCc1ncccc1O 34a_100000212058_200020655725 [0,2,0,0,0,0|1,0,1]=4 8102 B12R1.267 C#CCOCc1ncccc1Br 34a_100000210247_100025702911 [0,2,0,0,0,0|1,0,1]=4 8103 B12R1.267 C#CCOCc1ncccc1Br 34a_100011996772_100000184674 [0,2,0,0,0,0|1,0,1]=4 8104 B12R1.267 C#CCOCc1ncccc1C 34a_100000210247_100000696600 [0,2,0,0,0,0|1,0,1]=4 8105 B12R1.267 C#CCOCc1ncccc1C 34a_100000698912_100000184674 [0,2,0,0,0,0|1,0,1]=4 8106 B12R1.267 C#CCOCc1ncccc1Cl 34a_100012002383_100000184674 [0,2,0,0,0,0|1,0,1]=4 8107 B12R1.267 C#CCOCc1ncccc1F 34a_100000210247_100000104219 [0,2,0,0,0,0|1,0,1]=4 8108 B12R1.267 C#CCOCc1ncccc1F 34a_100011934865_100000184674 [0,2,0,0,0,0|1,0,1]=4 8109 B12R1.267 C#CCOCc1ncccc1N 34a_114873767017_100000184674 [0,2,0,0,0,0|1,0,1]=4 8110 B12R1.267 C#CCOCc1ncccc1O 34a_100000210247_200020655725 [0,2,0,0,0,0|1,0,1]=4 8111 B12R1.267 C#CCSCc1ncccc1Br 62a_100000038162_100025702911 [0,2,0,0,0,0|1,0,1]=4 8112 B12R1.267 C#CCSCc1ncccc1C 62a_100000038162_100000696600 [0,2,0,0,0,0|1,0,1]=4 8113 B12R1.267 C#CCSCc1ncccc1Cl 62a_100000038162_100000099807 [0,2,0,0,0,0|1,0,1]=4 8114 B12R1.267 C#CCSCc1ncccc1F 62a_100000038162_100000104219 [0,2,0,0,0,0|1,0,1]=4 8115 B12R1.267 C#CCSCc1ncccc1O 62a_100000038162_200020655725 [0,2,0,0,0,0|1,0,1]=4 8116 B12R1.267 C/C=C/COc1ncccc1Cl 34a_100011290957_100102629194 [0,2,0,0,0,0|1,0,1]=4 8117 B12R1.267 C/C=C/COc1ncccc1F 34a_100011219419_100102629194 [0,2,0,0,0,0|1,0,1]=4 8118 B12R1.267 C/C=C/COc1ncccc1N 34a_100000746358_100102629194 [0,2,0,0,0,0|1,0,1]=4 8119 B12R1.267 C/C=C/CSc1ncccc1Br 62a_100000696092_100102629194 [0,2,0,0,0,0|1,0,1]=4 8120 B12R1.267 C/C=C/CSc1ncccc1Br 62a_100102629194_100000696092 [0,2,0,0,0,0|1,0,1]=4 8121 B12R1.267 C/C=C/CSc1ncccc1C 62a_100000751373_100102629194 [0,2,0,0,0,0|1,0,1]=4 8122 B12R1.267 C/C=C/CSc1ncccc1C 62a_100102629194_100000751373 [0,2,0,0,0,0|1,0,1]=4 8123 B12R1.267 C/C=C/CSc1ncccc1Cl 62a_100011356963_100102629194 [0,2,0,0,0,0|1,0,1]=4 8124 B12R1.267 C/C=C/CSc1ncccc1Cl 62a_100102629194_100011356963 [0,2,0,0,0,0|1,0,1]=4 8125 B12R1.267 C/C=C/CSc1ncccc1F 62a_100000685392_100102629194 [0,2,0,0,0,0|1,0,1]=4 8126 B12R1.267 C/C=C/CSc1ncccc1F 62a_100102629194_100000685392 [0,2,0,0,0,0|1,0,1]=4 8127 B12R1.267 C/C=C/CSc1ncccc1N 62a_100000688686_100102629194 [0,2,0,0,0,0|1,0,1]=4 8128 B12R1.267 C/C=C/CSc1ncccc1N 62a_100102629194_100000688686 [0,2,0,0,0,0|1,0,1]=4 8129 B12R1.267 C/C=C/CSc1ncccc1O 62a_100000034122_100102629194 [0,2,0,0,0,0|1,0,1]=4 8130 B12R1.267 C/C=C/CSc1ncccc1O 62a_100102629194_100000034122 [0,2,0,0,0,0|1,0,1]=4 8131 B12R1.267 C=CCCNc1ncccc1Br 27a_100015191253_100000696092 [0,2,0,0,0,0|1,0,1]=4 8132 B12R1.267 C=CCCOc1ncccc1Cl 34a_100011290957_100000754431 [0,2,0,0,0,0|1,0,1]=4 8133 B12R1.267 C=CCCOc1ncccc1F 34a_100011219419_100000754431 [0,2,0,0,0,0|1,0,1]=4 8134 B12R1.267 C=CCCOc1ncccc1N 34a_100000746358_100000754431 [0,2,0,0,0,0|1,0,1]=4 8135 B12R1.267 C=CCCSc1ncccc1Br 62a_100000696092_100000754431 [0,2,0,0,0,0|1,0,1]=4 8136 B12R1.267 C=CCCSc1ncccc1Br 62a_100000754431_100000696092 [0,2,0,0,0,0|1,0,1]=4 8137 B12R1.267 C=CCCSc1ncccc1C 62a_100000751373_100000754431 [0,2,0,0,0,0|1,0,1]=4 8138 B12R1.267 C=CCCSc1ncccc1C 62a_100000754431_100000751373 [0,2,0,0,0,0|1,0,1]=4 8139 B12R1.267 C=CCCSc1ncccc1Cl 62a_100000754431_100011356963 [0,2,0,0,0,0|1,0,1]=4 8140 B12R1.267 C=CCCSc1ncccc1Cl 62a_100011356963_100000754431 [0,2,0,0,0,0|1,0,1]=4 8141 B12R1.267 C=CCCSc1ncccc1F 62a_100000685392_100000754431 [0,2,0,0,0,0|1,0,1]=4 8142 B12R1.267 C=CCCSc1ncccc1F 62a_100000754431_100000685392 [0,2,0,0,0,0|1,0,1]=4 8143 B12R1.267 C=CCCSc1ncccc1N 62a_100000688686_100000754431 [0,2,0,0,0,0|1,0,1]=4 8144 B12R1.267 C=CCCSc1ncccc1N 62a_100000754431_100000688686 [0,2,0,0,0,0|1,0,1]=4 8145 B12R1.267 C=CCCSc1ncccc1O 62a_100000034122_100000754431 [0,2,0,0,0,0|1,0,1]=4 8146 B12R1.267 C=CCCSc1ncccc1O 62a_100000754431_100000034122 [0,2,0,0,0,0|1,0,1]=4 8147 B12R1.267 C=CCNCc1ncccc1Br 2230a_100020586998_100025702911 [0,2,0,0,0,0|1,0,1]=4 8148 B12R1.267 C=CCNCc1ncccc1Br 270004a_100020586998_100011934733 [0,2,0,0,0,0|1,0,1]=4 8149 B12R1.267 C=CCNCc1ncccc1C 2230a_100020586998_100000696600 [0,2,0,0,0,0|1,0,1]=4 8150 B12R1.267 C=CCNCc1ncccc1C 270004a_100020586998_100000698913 [0,2,0,0,0,0|1,0,1]=4 8151 B12R1.267 C=CCNCc1ncccc1C 34a_100011223789_100015514636 [0,2,0,0,0,0|1,0,1]=4 8152 B12R1.267 C=CCNCc1ncccc1Cl 2230a_100015189233_100000210623 [0,2,0,0,0,0|1,0,1]=4 8153 B12R1.267 C=CCNCc1ncccc1Cl 2230a_100020586998_100000099807 [0,2,0,0,0,0|1,0,1]=4 8154 B12R1.267 C=CCNCc1ncccc1Cl 270004a_100020586998_100012001307 [0,2,0,0,0,0|1,0,1]=4 8155 B12R1.267 C=CCNCc1ncccc1F 2230a_100020586998_100000104219 [0,2,0,0,0,0|1,0,1]=4 8156 B12R1.267 C=CCNCc1ncccc1F 270004a_100020586998_100011934734 [0,2,0,0,0,0|1,0,1]=4 8157 B12R1.267 C=CCNCc1ncccc1F 34a_100000690088_100015514636 [0,2,0,0,0,0|1,0,1]=4 8158 B12R1.267 C=CCOCc1ncccc1Br 34a_100011996772_100015514636 [0,2,0,0,0,0|1,0,1]=4 8159 B12R1.267 C=CCOCc1ncccc1Br 34a_200000210373_100025702911 [0,2,0,0,0,0|1,0,1]=4 8160 B12R1.267 C=CCOCc1ncccc1C 34a_100000698912_100015514636 [0,2,0,0,0,0|1,0,1]=4 8161 B12R1.267 C=CCOCc1ncccc1C 34a_200000210373_100000696600 [0,2,0,0,0,0|1,0,1]=4 8162 B12R1.267 C=CCOCc1ncccc1Cl 34a_100012002383_100015514636 [0,2,0,0,0,0|1,0,1]=4 8163 B12R1.267 C=CCOCc1ncccc1F 34a_100011934865_100015514636 [0,2,0,0,0,0|1,0,1]=4 8164 B12R1.267 C=CCOCc1ncccc1F 34a_200000210373_100000104219 [0,2,0,0,0,0|1,0,1]=4 8165 B12R1.267 C=CCOCc1ncccc1N 34a_114873767017_100015514636 [0,2,0,0,0,0|1,0,1]=4 8166 B12R1.267 C=CCOCc1ncccc1O 34a_200000210373_200020655725 [0,2,0,0,0,0|1,0,1]=4 8167 B12R1.267 C=CCSCc1ncccc1Br 62a_100000210623_100025702911 [0,2,0,0,0,0|1,0,1]=4 8168 B12R1.267 C=CCSCc1ncccc1Br 62a_100025702911_100000210623 [0,2,0,0,0,0|1,0,1]=4 8169 B12R1.267 C=CCSCc1ncccc1C 62a_100000210623_100000696600 [0,2,0,0,0,0|1,0,1]=4 8170 B12R1.267 C=CCSCc1ncccc1C 62a_100000696600_100000210623 [0,2,0,0,0,0|1,0,1]=4 8171 B12R1.267 C=CCSCc1ncccc1Cl 62a_100000099807_100000210623 [0,2,0,0,0,0|1,0,1]=4 8172 B12R1.267 C=CCSCc1ncccc1Cl 62a_100000210623_100000099807 [0,2,0,0,0,0|1,0,1]=4 8173 B12R1.267 C=CCSCc1ncccc1F 62a_100000104219_100000210623 [0,2,0,0,0,0|1,0,1]=4 8174 B12R1.267 C=CCSCc1ncccc1F 62a_100000210623_100000104219 [0,2,0,0,0,0|1,0,1]=4 8175 B12R1.267 C=CCSCc1ncccc1O 62a_100000210623_200020655725 [0,2,0,0,0,0|1,0,1]=4 8176 B12R1.267 C=CCSCc1ncccc1O 62a_200020655725_100000210623 [0,2,0,0,0,0|1,0,1]=4 8177 B12R1.267 CC#CCNc1ncccc1Br 27a_100000685387_100000696092 [0,2,0,0,0,0|1,0,1]=4 8178 B12R1.267 CC#CCOc1ncccc1Cl 34a_100011290957_100000748600 [0,2,0,0,0,0|1,0,1]=4 8179 B12R1.267 CC#CCOc1ncccc1F 34a_100011219419_100000748600 [0,2,0,0,0,0|1,0,1]=4 8180 B12R1.267 CC#CCOc1ncccc1N 34a_100000746358_100000748600 [0,2,0,0,0,0|1,0,1]=4 8181 B12R1.267 CC#CCSc1ncccc1Br 62a_100000696092_100000748600 [0,2,0,0,0,0|1,0,1]=4 8182 B12R1.267 CC#CCSc1ncccc1Br 62a_100000748600_100000696092 [0,2,0,0,0,0|1,0,1]=4 8183 B12R1.267 CC#CCSc1ncccc1C 62a_100000748600_100000751373 [0,2,0,0,0,0|1,0,1]=4 8184 B12R1.267 CC#CCSc1ncccc1C 62a_100000751373_100000748600 [0,2,0,0,0,0|1,0,1]=4 8185 B12R1.267 CC#CCSc1ncccc1Cl 62a_100000748600_100011356963 [0,2,0,0,0,0|1,0,1]=4 8186 B12R1.267 CC#CCSc1ncccc1Cl 62a_100011356963_100000748600 [0,2,0,0,0,0|1,0,1]=4 8187 B12R1.267 CC#CCSc1ncccc1F 62a_100000685392_100000748600 [0,2,0,0,0,0|1,0,1]=4 8188 B12R1.267 CC#CCSc1ncccc1F 62a_100000748600_100000685392 [0,2,0,0,0,0|1,0,1]=4 8189 B12R1.267 CC#CCSc1ncccc1N 62a_100000688686_100000748600 [0,2,0,0,0,0|1,0,1]=4 8190 B12R1.267 CC#CCSc1ncccc1N 62a_100000748600_100000688686 [0,2,0,0,0,0|1,0,1]=4 8191 B12R1.267 CC#CCSc1ncccc1O 62a_100000034122_100000748600 [0,2,0,0,0,0|1,0,1]=4 8192 B12R1.267 CC#CCSc1ncccc1O 62a_100000748600_100000034122 [0,2,0,0,0,0|1,0,1]=4 8193 B12R1.267 CC=CCOc1ncccc1Cl 34a_100011290957_100000070051 [0,2,0,0,0,0|1,0,1]=4 8194 B12R1.267 CC=CCOc1ncccc1F 34a_100011219419_100000070051 [0,2,0,0,0,0|1,0,1]=4 8195 B12R1.267 CC=CCOc1ncccc1N 34a_100000746358_100000070051 [0,2,0,0,0,0|1,0,1]=4 8196 B12R1.267 CC=CCSc1ncccc1Br 62a_100000070051_100000696092 [0,2,0,0,0,0|1,0,1]=4 8197 B12R1.267 CC=CCSc1ncccc1Br 62a_100000696092_100000070051 [0,2,0,0,0,0|1,0,1]=4 8198 B12R1.267 CC=CCSc1ncccc1C 62a_100000070051_100000751373 [0,2,0,0,0,0|1,0,1]=4 8199 B12R1.267 CC=CCSc1ncccc1C 62a_100000751373_100000070051 [0,2,0,0,0,0|1,0,1]=4 8200 B12R1.267 CC=CCSc1ncccc1Cl 62a_100000070051_100011356963 [0,2,0,0,0,0|1,0,1]=4 8201 B12R1.267 CC=CCSc1ncccc1Cl 62a_100011356963_100000070051 [0,2,0,0,0,0|1,0,1]=4 8202 B12R1.267 CC=CCSc1ncccc1F 62a_100000070051_100000685392 [0,2,0,0,0,0|1,0,1]=4 8203 B12R1.267 CC=CCSc1ncccc1F 62a_100000685392_100000070051 [0,2,0,0,0,0|1,0,1]=4 8204 B12R1.267 CC=CCSc1ncccc1N 62a_100000070051_100000688686 [0,2,0,0,0,0|1,0,1]=4 8205 B12R1.267 CC=CCSc1ncccc1N 62a_100000688686_100000070051 [0,2,0,0,0,0|1,0,1]=4 8206 B12R1.267 CC=CCSc1ncccc1O 62a_100000034122_100000070051 [0,2,0,0,0,0|1,0,1]=4 8207 B12R1.267 CC=CCSc1ncccc1O 62a_100000070051_100000034122 [0,2,0,0,0,0|1,0,1]=4 8208 B12R1.267 CCCC=Cc1ncccc1Br 271570a_100016258520_100000696092 [0,2,0,0,0,0|1,0,1]=4 8209 B12R1.267 CCCC=Cc1ncccc1C 271570a_100016258520_100000751373 [0,2,0,0,0,0|1,0,1]=4 8210 B12R1.267 CCCC=Cc1ncccc1Cl 271570a_100016258520_100011356963 [0,2,0,0,0,0|1,0,1]=4 8211 B12R1.267 CCCC=Cc1ncccc1F 271570a_100016258520_100000685392 [0,2,0,0,0,0|1,0,1]=4 8212 B12R1.267 CCCC=Cc1ncccc1N 271570a_100016258520_100000688686 [0,2,0,0,0,0|1,0,1]=4 8213 B12R1.267 CCCC=Cc1ncccc1O 271570a_100016258520_100000034122 [0,2,0,0,0,0|1,0,1]=4 8214 B12R1.267 CCCCCc1ncncc1O 271570a_203496583355_100009816991 [0,2,0,0,0,0|2,0,0]=4 8215 B12R1.267 CCCCNc1ccccc1Br 34a_100000210017_100000210210 [0,2,0,0,0,0|2,0,0]=4 8216 B12R1.267 CCCCNc1ccccc1C 34a_100015192222_100000210210 [0,2,0,0,0,0|2,0,0]=4 8217 B12R1.267 CCCCNc1ccccc1Cl 34a_100000185783_100000210210 [0,2,0,0,0,0|2,0,0]=4 8218 B12R1.267 CCCCNc1ccccc1F 34a_100000210422_100000210210 [0,2,0,0,0,0|2,0,0]=4 8219 B12R1.267 CCCCNc1ccccc1I 34a_100000210053_100000210210 [0,2,0,0,0,0|2,0,0]=4 8220 B12R1.267 CCCCNc1ccccc1O 34a_100000185747_100000210210 [0,2,0,0,0,0|2,0,0]=4 8221 B12R1.267 CCCCNc1ncccc1Br 27a_100000102301_100000696092 [0,2,0,0,0,0|1,0,0]=3 8222 B12R1.267 CCCCNc1nccnc1C 27a_100000102301_100011999405 [0,2,0,0,0,0|2,0,0]=4 8223 B12R1.267 CCCCNc1nccnc1F 27a_100000102301_200010125657 [0,2,0,0,0,0|2,0,0]=4 8224 B12R1.267 CCCCNc1ncncc1C 27a_100000102301_100011998708 [0,2,0,0,0,0|2,0,0]=4 8225 B12R1.267 CCCCNc1ncncc1F 27a_100000102301_100000069762 [0,2,0,0,0,0|2,0,0]=4 8226 B12R1.267 CCCCNc1ncncc1N 27a_100000102301_100000709731 [0,2,0,0,0,0|2,0,0]=4 8227 B12R1.267 CCCCNc1nnccc1C 27a_100000102301_100000089043 [0,2,0,0,0,0|2,0,0]=4 8228 B12R1.267 CCCCOc1cccc[n+]1[O-] 7a_100000211761_100000210211 [0,2,0,0,0,0|1,0,1]=4 8229 B12R1.267 CCCCOc1ccccc1Br 34a_100000181306_100000210210 [0,2,0,0,0,0|2,0,0]=4 8230 B12R1.267 CCCCOc1ccccc1Br 7a_100000181306_100000210211 [0,2,0,0,0,0|2,0,0]=4 8231 B12R1.267 CCCCOc1ccccc1C 34a_100000210338_100000210210 [0,2,0,0,0,0|2,0,0]=4 8232 B12R1.267 CCCCOc1ccccc1C 7a_100000210338_100000210211 [0,2,0,0,0,0|2,0,0]=4 8233 B12R1.267 CCCCOc1ccccc1Cl 34a_100000210172_100000210210 [0,2,0,0,0,0|2,0,0]=4 8234 B12R1.267 CCCCOc1ccccc1Cl 7a_100000210172_100000210211 [0,2,0,0,0,0|2,0,0]=4 8235 B12R1.267 CCCCOc1ccccc1F 34a_100000210171_100000210210 [0,2,0,0,0,0|2,0,0]=4 8236 B12R1.267 CCCCOc1ccccc1F 7a_100000210171_100000210211 [0,2,0,0,0,0|2,0,0]=4 8237 B12R1.267 CCCCOc1ccccc1I 34a_100000739446_100000210210 [0,2,0,0,0,0|2,0,0]=4 8238 B12R1.267 CCCCOc1ccccc1I 7a_100000739446_100000210211 [0,2,0,0,0,0|2,0,0]=4 8239 B12R1.267 CCCCOc1ccccc1N 34a_100000185747_100000210210 [0,2,0,0,0,0|2,0,0]=4 8240 B12R1.267 CCCCOc1ccccc1N 7a_100000185747_100000210211 [0,2,0,0,0,0|2,0,0]=4 8241 B12R1.267 CCCCOc1ccccc1O 271570a_203496583355_100000230755 [0,2,0,0,0,0|2,0,0]=4 8242 B12R1.267 CCCCOc1ncccc1Cl 34a_100011290957_100000210210 [0,2,0,0,0,0|1,0,0]=3 8243 B12R1.267 CCCCOc1ncccc1F 34a_100011219419_100000210210 [0,2,0,0,0,0|1,0,0]=3 8244 B12R1.267 CCCCOc1ncccc1N 34a_100000746358_100000210210 [0,2,0,0,0,0|1,0,0]=3 8245 B12R1.267 CCCCOc1nccnc1C 34a_100000766352_100000210210 [0,2,0,0,0,0|2,0,0]=4 8246 B12R1.267 CCCCSc1cccc[n+]1C 62a_100000210211_100000212160 [0,2,0,0,0,0|1,0,1]=4 8247 B12R1.267 CCCCSc1cccc[n+]1[O-] 62a_100000210211_200000042595 [0,2,0,0,0,0|1,0,1]=4 8248 B12R1.267 CCCCSc1ccccc1Br 62a_100000210211_100000695589 [0,2,0,0,0,0|2,0,0]=4 8249 B12R1.267 CCCCSc1ccccc1Br 62a_100000695589_100000210210 [0,2,0,0,0,0|2,0,0]=4 8250 B12R1.267 CCCCSc1ccccc1C 62a_100000210211_100000210755 [0,2,0,0,0,0|2,0,0]=4 8251 B12R1.267 CCCCSc1ccccc1C 62a_100000210755_100000210210 [0,2,0,0,0,0|2,0,0]=4 8252 B12R1.267 CCCCSc1ccccc1Cl 62a_100000210211_100000764095 [0,2,0,0,0,0|2,0,0]=4 8253 B12R1.267 CCCCSc1ccccc1Cl 62a_100000764095_100000210210 [0,2,0,0,0,0|2,0,0]=4 8254 B12R1.267 CCCCSc1ccccc1F 62a_100000210211_100011215700 [0,2,0,0,0,0|2,0,0]=4 8255 B12R1.267 CCCCSc1ccccc1F 62a_100011215700_100000210210 [0,2,0,0,0,0|2,0,0]=4 8256 B12R1.267 CCCCSc1ccccc1N 62a_100000210017_100000210210 [0,2,0,0,0,0|2,0,0]=4 8257 B12R1.267 CCCCSc1ccccc1N 62a_100000210211_100000210017 [0,2,0,0,0,0|2,0,0]=4 8258 B12R1.267 CCCCSc1ccccc1O 62a_100000210211_100000739446 [0,2,0,0,0,0|2,0,0]=4 8259 B12R1.267 CCCCSc1ccccc1O 62a_100000739446_100000210210 [0,2,0,0,0,0|2,0,0]=4 8260 B12R1.267 CCCCSc1ncc[nH]c1=O 62a_100000210211_100000763361 [0,2,0,0,0,0|2,0,0]=4 8261 B12R1.267 CCCCSc1ncccc1Br 62a_100000210211_100000696092 [0,2,0,0,0,0|1,0,0]=3 8262 B12R1.267 CCCCSc1ncccc1Br 62a_100000696092_100000210210 [0,2,0,0,0,0|1,0,0]=3 8263 B12R1.267 CCCCSc1ncccc1C 62a_100000210211_100000751373 [0,2,0,0,0,0|1,0,0]=3 8264 B12R1.267 CCCCSc1ncccc1C 62a_100000751373_100000210210 [0,2,0,0,0,0|1,0,0]=3 8265 B12R1.267 CCCCSc1ncccc1Cl 62a_100000210211_100011356963 [0,2,0,0,0,0|1,0,0]=3 8266 B12R1.267 CCCCSc1ncccc1Cl 62a_100011356963_100000210210 [0,2,0,0,0,0|1,0,0]=3 8267 B12R1.267 CCCCSc1ncccc1F 62a_100000210211_100000685392 [0,2,0,0,0,0|1,0,0]=3 8268 B12R1.267 CCCCSc1ncccc1F 62a_100000685392_100000210210 [0,2,0,0,0,0|1,0,0]=3 8269 B12R1.267 CCCCSc1ncccc1N 62a_100000210211_100000688686 [0,2,0,0,0,0|1,0,0]=3 8270 B12R1.267 CCCCSc1ncccc1N 62a_100000688686_100000210210 [0,2,0,0,0,0|1,0,0]=3 8271 B12R1.267 CCCCSc1ncccc1O 62a_100000034122_100000210210 [0,2,0,0,0,0|1,0,0]=3 8272 B12R1.267 CCCCSc1ncccc1O 62a_100000210211_100000034122 [0,2,0,0,0,0|1,0,0]=3 8273 B12R1.267 CCCCSc1nccnc1C 62a_100000210211_100011999405 [0,2,0,0,0,0|2,0,0]=4 8274 B12R1.267 CCCCSc1nccnc1C 62a_100011999405_100000210210 [0,2,0,0,0,0|2,0,0]=4 8275 B12R1.267 CCCCSc1nccnc1Cl 62a_100000210211_100010886584 [0,2,0,0,0,0|2,0,0]=4 8276 B12R1.267 CCCCSc1nccnc1Cl 62a_100010886584_100000210210 [0,2,0,0,0,0|2,0,0]=4 8277 B12R1.267 CCCCSc1nccnc1F 62a_100000210211_200010125657 [0,2,0,0,0,0|2,0,0]=4 8278 B12R1.267 CCCCSc1nccnc1F 62a_200010125657_100000210210 [0,2,0,0,0,0|2,0,0]=4 8279 B12R1.267 CCCCSc1nccnc1N 62a_100000210211_100000747729 [0,2,0,0,0,0|2,0,0]=4 8280 B12R1.267 CCCCSc1nccnc1N 62a_100000747729_100000210210 [0,2,0,0,0,0|2,0,0]=4 8281 B12R1.267 CCCCSc1ncncc1C 62a_100000210211_100011998708 [0,2,0,0,0,0|2,0,0]=4 8282 B12R1.267 CCCCSc1ncncc1C 62a_100011998708_100000210210 [0,2,0,0,0,0|2,0,0]=4 8283 B12R1.267 CCCCSc1ncncc1F 62a_100000069762_100000210210 [0,2,0,0,0,0|2,0,0]=4 8284 B12R1.267 CCCCSc1ncncc1F 62a_100000210211_100000069762 [0,2,0,0,0,0|2,0,0]=4 8285 B12R1.267 CCCCSc1ncncc1N 62a_100000210211_100000709731 [0,2,0,0,0,0|2,0,0]=4 8286 B12R1.267 CCCCSc1ncncc1N 62a_100000709731_100000210210 [0,2,0,0,0,0|2,0,0]=4 8287 B12R1.267 CCCCSc1nnccc1C 62a_100000210211_100000089043 [0,2,0,0,0,0|2,0,0]=4 8288 B12R1.267 CCCNCc1ccccc1Br 207a_100020643023_100000211189 [0,2,0,0,0,0|2,0,0]=4 8289 B12R1.267 CCCNCc1ccccc1Br 2230a_100000689332_100000210303 [0,2,0,0,0,0|2,0,0]=4 8290 B12R1.267 CCCNCc1ccccc1Br 270004a_100020643023_100000211189 [0,2,0,0,0,0|2,0,0]=4 8291 B12R1.267 CCCNCc1ccccc1Br 34a_100000689332_100000210303 [0,2,0,0,0,0|2,0,0]=4 8292 B12R1.267 CCCNCc1ccccc1C 207a_100020643023_100000211143 [0,2,0,0,0,0|2,0,0]=4 8293 B12R1.267 CCCNCc1ccccc1C 270004a_100020643023_100000211143 [0,2,0,0,0,0|2,0,0]=4 8294 B12R1.267 CCCNCc1ccccc1C 34a_100000174972_100000210303 [0,2,0,0,0,0|2,0,0]=4 8295 B12R1.267 CCCNCc1ccccc1Cl 207a_100020643023_100000210073 [0,2,0,0,0,0|2,0,0]=4 8296 B12R1.267 CCCNCc1ccccc1Cl 2230a_100000174879_100000210303 [0,2,0,0,0,0|2,0,0]=4 8297 B12R1.267 CCCNCc1ccccc1Cl 270004a_100020643023_100000210073 [0,2,0,0,0,0|2,0,0]=4 8298 B12R1.267 CCCNCc1ccccc1Cl 34a_100000174879_100000210303 [0,2,0,0,0,0|2,0,0]=4 8299 B12R1.267 CCCNCc1ccccc1F 207a_100020643023_100000210811 [0,2,0,0,0,0|2,0,0]=4 8300 B12R1.267 CCCNCc1ccccc1F 270004a_100020643023_100000210811 [0,2,0,0,0,0|2,0,0]=4 8301 B12R1.267 CCCNCc1ccccc1F 34a_100000174869_100000210303 [0,2,0,0,0,0|2,0,0]=4 8302 B12R1.267 CCCNCc1ccccc1I 207a_100020643023_100000010305 [0,2,0,0,0,0|2,0,0]=4 8303 B12R1.267 CCCNCc1ccccc1I 270004a_100020643023_100000010305 [0,2,0,0,0,0|2,0,0]=4 8304 B12R1.267 CCCNCc1ccccc1O 271570a_203496583355_100000196483 [0,2,0,0,0,0|2,0,0]=4 8305 B12R1.267 CCCNCc1ccccc1O 34a_100000185550_100000210303 [0,2,0,0,0,0|2,0,0]=4 8306 B12R1.267 CCCNCc1ncccc1Br 207a_100020643023_100011934733 [0,2,0,0,0,0|1,0,0]=3 8307 B12R1.267 CCCNCc1ncccc1Br 270004a_100020643023_100011934733 [0,2,0,0,0,0|1,0,0]=3 8308 B12R1.267 CCCNCc1ncccc1C 207a_100020643023_100000698913 [0,2,0,0,0,0|1,0,0]=3 8309 B12R1.267 CCCNCc1ncccc1C 270004a_100020643023_100000698913 [0,2,0,0,0,0|1,0,0]=3 8310 B12R1.267 CCCNCc1ncccc1C 34a_100011223789_100000210303 [0,2,0,0,0,0|1,0,0]=3 8311 B12R1.267 CCCNCc1ncccc1Cl 207a_100020643023_100012001307 [0,2,0,0,0,0|1,0,0]=3 8312 B12R1.267 CCCNCc1ncccc1Cl 2230a_100015189233_100000210303 [0,2,0,0,0,0|1,0,0]=3 8313 B12R1.267 CCCNCc1ncccc1Cl 270004a_100020643023_100012001307 [0,2,0,0,0,0|1,0,0]=3 8314 B12R1.267 CCCNCc1ncccc1F 207a_100020643023_100011934734 [0,2,0,0,0,0|1,0,0]=3 8315 B12R1.267 CCCNCc1ncccc1F 270004a_100020643023_100011934734 [0,2,0,0,0,0|1,0,0]=3 8316 B12R1.267 CCCNCc1ncccc1F 34a_100000690088_100000210303 [0,2,0,0,0,0|1,0,0]=3 8317 B12R1.267 CCCNCc1nccnc1C 2230a_100020641712_100000210303 [0,2,0,0,0,0|2,0,0]=4 8318 B12R1.267 CCCNCc1nccnc1C 270004a_100020643023_100000050726 [0,2,0,0,0,0|2,0,0]=4 8319 B12R1.267 CCCNCc1nccnc1C 34a_100020641712_100000210303 [0,2,0,0,0,0|2,0,0]=4 8320 B12R1.267 CCCNCc1nccnc1Cl 2230a_100000729963_100000210303 [0,2,0,0,0,0|2,0,0]=4 8321 B12R1.267 CCCOCc1ccccc1Br 34a_100000210258_100000184730 [0,2,0,0,0,0|2,0,0]=4 8322 B12R1.267 CCCOCc1ccccc1Br 34a_100000756307_100000210303 [0,2,0,0,0,0|2,0,0]=4 8323 B12R1.267 CCCOCc1ccccc1Br 7a_100000756307_100000210303 [0,2,0,0,0,0|2,0,0]=4 8324 B12R1.267 CCCOCc1ccccc1C 34a_100000210258_100000211839 [0,2,0,0,0,0|2,0,0]=4 8325 B12R1.267 CCCOCc1ccccc1C 34a_100000698903_100000210303 [0,2,0,0,0,0|2,0,0]=4 8326 B12R1.267 CCCOCc1ccccc1C 7a_100000698903_100000210303 [0,2,0,0,0,0|2,0,0]=4 8327 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210258_100000187162 [0,2,0,0,0,0|2,0,0]=4 8328 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210847_100000210303 [0,2,0,0,0,0|2,0,0]=4 8329 B12R1.267 CCCOCc1ccccc1Cl 7a_100000210847_100000210303 [0,2,0,0,0,0|2,0,0]=4 8330 B12R1.267 CCCOCc1ccccc1F 34a_100000210258_100000211605 [0,2,0,0,0,0|2,0,0]=4 8331 B12R1.267 CCCOCc1ccccc1F 34a_100000211962_100000210303 [0,2,0,0,0,0|2,0,0]=4 8332 B12R1.267 CCCOCc1ccccc1F 7a_100000211962_100000210303 [0,2,0,0,0,0|2,0,0]=4 8333 B12R1.267 CCCOCc1ccccc1I 34a_100000187465_100000210303 [0,2,0,0,0,0|2,0,0]=4 8334 B12R1.267 CCCOCc1ccccc1I 34a_100000210258_100011215278 [0,2,0,0,0,0|2,0,0]=4 8335 B12R1.267 CCCOCc1ccccc1I 7a_100000187465_100000210303 [0,2,0,0,0,0|2,0,0]=4 8336 B12R1.267 CCCOCc1ccccc1N 34a_100000212039_100000210303 [0,2,0,0,0,0|2,0,0]=4 8337 B12R1.267 CCCOCc1ncccc1Br 34a_100000210258_100025702911 [0,2,0,0,0,0|1,0,0]=3 8338 B12R1.267 CCCOCc1ncccc1Br 34a_100011996772_100000210303 [0,2,0,0,0,0|1,0,0]=3 8339 B12R1.267 CCCOCc1ncccc1C 34a_100000210258_100000696600 [0,2,0,0,0,0|1,0,0]=3 8340 B12R1.267 CCCOCc1ncccc1C 34a_100000698912_100000210303 [0,2,0,0,0,0|1,0,0]=3 8341 B12R1.267 CCCOCc1ncccc1Cl 34a_100012002383_100000210303 [0,2,0,0,0,0|1,0,0]=3 8342 B12R1.267 CCCOCc1ncccc1F 34a_100000210258_100000104219 [0,2,0,0,0,0|1,0,0]=3 8343 B12R1.267 CCCOCc1ncccc1F 34a_100011934865_100000210303 [0,2,0,0,0,0|1,0,0]=3 8344 B12R1.267 CCCOCc1ncccc1N 34a_114873767017_100000210303 [0,2,0,0,0,0|1,0,0]=3 8345 B12R1.267 CCCOCc1ncccc1O 34a_100000210258_200020655725 [0,2,0,0,0,0|1,0,0]=3 8346 B12R1.267 CCCOCc1nccnc1Cl 34a_100000057004_100000210303 [0,2,0,0,0,0|2,0,0]=4 8347 B12R1.267 CCCSCc1ccccc1Br 62a_100000184730_100000210303 [0,2,0,0,0,0|2,0,0]=4 8348 B12R1.267 CCCSCc1ccccc1Br 62a_100000210303_100000184730 [0,2,0,0,0,0|2,0,0]=4 8349 B12R1.267 CCCSCc1ccccc1C 62a_100000210303_100000211839 [0,2,0,0,0,0|2,0,0]=4 8350 B12R1.267 CCCSCc1ccccc1C 62a_100000211839_100000210303 [0,2,0,0,0,0|2,0,0]=4 8351 B12R1.267 CCCSCc1ccccc1Cl 62a_100000187162_100000210303 [0,2,0,0,0,0|2,0,0]=4 8352 B12R1.267 CCCSCc1ccccc1Cl 62a_100000210303_100000187162 [0,2,0,0,0,0|2,0,0]=4 8353 B12R1.267 CCCSCc1ccccc1F 62a_100000210303_100000211605 [0,2,0,0,0,0|2,0,0]=4 8354 B12R1.267 CCCSCc1ccccc1F 62a_100000211605_100000210303 [0,2,0,0,0,0|2,0,0]=4 8355 B12R1.267 CCCSCc1ccccc1I 62a_100000210303_100011216222 [0,2,0,0,0,0|2,0,0]=4 8356 B12R1.267 CCCSCc1ccccc1I 62a_100011216222_100000210303 [0,2,0,0,0,0|2,0,0]=4 8357 B12R1.267 CCCSCc1ccccc1O 271570a_203496583355_200000173363 [0,2,0,0,0,0|2,0,0]=4 8358 B12R1.267 CCCSCc1ncccc1Br 62a_100000210303_100025702911 [0,2,0,0,0,0|1,0,0]=3 8359 B12R1.267 CCCSCc1ncccc1Br 62a_100025702911_100000210303 [0,2,0,0,0,0|1,0,0]=3 8360 B12R1.267 CCCSCc1ncccc1C 62a_100000210303_100000696600 [0,2,0,0,0,0|1,0,0]=3 8361 B12R1.267 CCCSCc1ncccc1C 62a_100000696600_100000210303 [0,2,0,0,0,0|1,0,0]=3 8362 B12R1.267 CCCSCc1ncccc1Cl 62a_100000099807_100000210303 [0,2,0,0,0,0|1,0,0]=3 8363 B12R1.267 CCCSCc1ncccc1Cl 62a_100000210303_100000099807 [0,2,0,0,0,0|1,0,0]=3 8364 B12R1.267 CCCSCc1ncccc1F 62a_100000104219_100000210303 [0,2,0,0,0,0|1,0,0]=3 8365 B12R1.267 CCCSCc1ncccc1F 62a_100000210303_100000104219 [0,2,0,0,0,0|1,0,0]=3 8366 B12R1.267 CCCSCc1ncccc1O 62a_100000210303_200020655725 [0,2,0,0,0,0|1,0,0]=3 8367 B12R1.267 CCCSCc1ncccc1O 62a_200020655725_100000210303 [0,2,0,0,0,0|1,0,0]=3 8368 B12R1.267 CCNCCc1ccccc1Br 2230a_100000747383_100000210202 [0,2,0,0,0,0|1,0,0]=3 8369 B12R1.267 CCNCCc1ccccc1Br 2230a_100015525214_100012161201 [0,2,0,0,0,0|1,0,0]=3 8370 B12R1.267 CCNCCc1ccccc1Br 34a_100000747383_100000210202 [0,2,0,0,0,0|1,0,0]=3 8371 B12R1.267 CCNCCc1ccccc1C 2230a_100000685071_100000210202 [0,2,0,0,0,0|1,0,0]=3 8372 B12R1.267 CCNCCc1ccccc1C 2230a_100015525214_100011713688 [0,2,0,0,0,0|1,0,0]=3 8373 B12R1.267 CCNCCc1ccccc1C 34a_100000685071_100000210202 [0,2,0,0,0,0|1,0,0]=3 8374 B12R1.267 CCNCCc1ccccc1Cl 2230a_100011207228_100000210202 [0,2,0,0,0,0|1,0,0]=3 8375 B12R1.267 CCNCCc1ccccc1Cl 2230a_100015525214_100011713703 [0,2,0,0,0,0|1,0,0]=3 8376 B12R1.267 CCNCCc1ccccc1Cl 270004a_100015525214_200011713468 [0,2,0,0,0,0|1,0,0]=3 8377 B12R1.267 CCNCCc1ccccc1Cl 34a_100011207228_100000210202 [0,2,0,0,0,0|1,0,0]=3 8378 B12R1.267 CCNCCc1ccccc1F 2230a_100000185272_100000210202 [0,2,0,0,0,0|1,0,0]=3 8379 B12R1.267 CCNCCc1ccccc1F 2230a_100015525214_100011713696 [0,2,0,0,0,0|1,0,0]=3 8380 B12R1.267 CCNCCc1ccccc1F 34a_100000185272_100000210202 [0,2,0,0,0,0|1,0,0]=3 8381 B12R1.267 CCNCCc1ccccc1O 34a_100011207237_100000210202 [0,2,0,0,0,0|1,0,0]=3 8382 B12R1.267 CCNCCn1ccccc1=O 2230a_100000687133_100000210202 [0,2,0,0,0,0|2,0,0]=4 8383 B12R1.267 CCNN=Cc1ncccc1Br 4a_100000756455_100011934733 [0,2,0,0,0,0|1,0,1]=4 8384 B12R1.267 CCNN=Cc1ncccc1C 4a_100000756455_100000698913 [0,2,0,0,0,0|1,0,1]=4 8385 B12R1.267 CCNN=Cc1ncccc1Cl 4a_100000756455_100012001307 [0,2,0,0,0,0|1,0,1]=4 8386 B12R1.267 CCNN=Cc1ncccc1F 4a_100000756455_100011934734 [0,2,0,0,0,0|1,0,1]=4 8387 B12R1.267 CCNN=Cc1ncccc1O 4a_100000756455_100000042352 [0,2,0,0,0,0|1,0,1]=4 8388 B12R1.267 CCOCCc1ccccc1Br 34a_100000731337_100000210202 [0,2,0,0,0,0|2,0,0]=4 8389 B12R1.267 CCOCCc1ccccc1Br 34a_100121572206_100012161201 [0,2,0,0,0,0|2,0,0]=4 8390 B12R1.267 CCOCCc1ccccc1Br 7a_100000731337_100000210202 [0,2,0,0,0,0|2,0,0]=4 8391 B12R1.267 CCOCCc1ccccc1C 34a_100011220023_100000210202 [0,2,0,0,0,0|2,0,0]=4 8392 B12R1.267 CCOCCc1ccccc1C 34a_100121572206_100011713688 [0,2,0,0,0,0|2,0,0]=4 8393 B12R1.267 CCOCCc1ccccc1C 7a_100011220023_100000210202 [0,2,0,0,0,0|2,0,0]=4 8394 B12R1.267 CCOCCc1ccccc1Cl 34a_100011215284_100000210202 [0,2,0,0,0,0|2,0,0]=4 8395 B12R1.267 CCOCCc1ccccc1Cl 34a_100121572206_100011713703 [0,2,0,0,0,0|2,0,0]=4 8396 B12R1.267 CCOCCc1ccccc1Cl 7a_100011215284_100000210202 [0,2,0,0,0,0|2,0,0]=4 8397 B12R1.267 CCOCCc1ccccc1F 34a_100000753711_100000210202 [0,2,0,0,0,0|2,0,0]=4 8398 B12R1.267 CCOCCc1ccccc1F 34a_100121572206_100000720011 [0,2,0,0,0,0|2,0,0]=4 8399 B12R1.267 CCOCCc1ccccc1F 7a_100000753711_100000210202 [0,2,0,0,0,0|2,0,0]=4 8400 B12R1.267 CCOCCc1ccccc1I 34a_100010255290_100000210202 [0,2,0,0,0,0|2,0,0]=4 8401 B12R1.267 CCOCCc1ccccc1I 7a_100010255290_100000210202 [0,2,0,0,0,0|2,0,0]=4 8402 B12R1.267 CCOCCc1ccccc1N 34a_100011215289_100000210202 [0,2,0,0,0,0|2,0,0]=4 8403 B12R1.267 CCOCCc1ccccc1O 34a_100121572206_100000722297 [0,2,0,0,0,0|2,0,0]=4 8404 B12R1.267 CCOCCc1ncccc1C 34a_100011997706_100000210202 [0,2,0,0,0,0|1,0,0]=3 8405 B12R1.267 CCOCCc1ncccc1C 7a_100011997706_100000210202 [0,2,0,0,0,0|1,0,0]=3 8406 B12R1.267 CCOCSc1ncccc1Br 62a_100000696092_100000739092 [0,2,0,0,0,0|2,0,0]=4 8407 B12R1.267 CCOCSc1ncccc1Br 62a_100000739092_100000696092 [0,2,0,0,0,0|2,0,0]=4 8408 B12R1.267 CCOCSc1ncccc1C 62a_100000739092_100000751373 [0,2,0,0,0,0|2,0,0]=4 8409 B12R1.267 CCOCSc1ncccc1C 62a_100000751373_100000739092 [0,2,0,0,0,0|2,0,0]=4 8410 B12R1.267 CCOCSc1ncccc1Cl 62a_100000739092_100011356963 [0,2,0,0,0,0|2,0,0]=4 8411 B12R1.267 CCOCSc1ncccc1Cl 62a_100011356963_100000739092 [0,2,0,0,0,0|2,0,0]=4 8412 B12R1.267 CCOCSc1ncccc1F 62a_100000685392_100000739092 [0,2,0,0,0,0|2,0,0]=4 8413 B12R1.267 CCOCSc1ncccc1F 62a_100000739092_100000685392 [0,2,0,0,0,0|2,0,0]=4 8414 B12R1.267 CCOCSc1ncccc1N 62a_100000688686_100000739092 [0,2,0,0,0,0|2,0,0]=4 8415 B12R1.267 CCOCSc1ncccc1N 62a_100000739092_100000688686 [0,2,0,0,0,0|2,0,0]=4 8416 B12R1.267 CCOCSc1ncccc1O 62a_100000034122_100000739092 [0,2,0,0,0,0|2,0,0]=4 8417 B12R1.267 CCOCSc1ncccc1O 62a_100000739092_100000034122 [0,2,0,0,0,0|2,0,0]=4 8418 B12R1.267 CCSCCc1ccccc1Br 62a_100000210202_100012161201 [0,2,0,0,0,0|2,0,0]=4 8419 B12R1.267 CCSCCc1ccccc1Br 62a_100012161201_100000210202 [0,2,0,0,0,0|2,0,0]=4 8420 B12R1.267 CCSCCc1ccccc1C 62a_100000210202_100011713688 [0,2,0,0,0,0|2,0,0]=4 8421 B12R1.267 CCSCCc1ccccc1C 62a_100011713688_100000210202 [0,2,0,0,0,0|2,0,0]=4 8422 B12R1.267 CCSCCc1ccccc1Cl 62a_100000210202_100011713703 [0,2,0,0,0,0|2,0,0]=4 8423 B12R1.267 CCSCCc1ccccc1Cl 62a_100011713703_100000210202 [0,2,0,0,0,0|2,0,0]=4 8424 B12R1.267 CCSCCc1ccccc1F 62a_100000210202_100011713696 [0,2,0,0,0,0|2,0,0]=4 8425 B12R1.267 CCSCCc1ccccc1F 62a_100011713696_100000210202 [0,2,0,0,0,0|2,0,0]=4 8426 B12R1.267 CCSCCc1ccccc1O 62a_100000210202_100000722297 [0,2,0,0,0,0|2,0,0]=4 8427 B12R1.267 CCSCCc1ccccc1O 62a_100000722297_100000210202 [0,2,0,0,0,0|2,0,0]=4 8428 B12R1.267 CNCC#Cc1ccccc1Br 2230a_106832991635_100010706765 [0,2,0,0,0,0|1,0,1]=4 8429 B12R1.267 CNCC#Cc1ccccc1Br 34a_100102657272_100010706765 [0,2,0,0,0,0|1,0,1]=4 8430 B12R1.267 CNCC#Cc1ccccc1Br 7a_106832991635_100010706765 [0,2,0,0,0,0|1,0,1]=4 8431 B12R1.267 CNCC#Cc1ccccc1F 2230a_106832991635_100010404167 [0,2,0,0,0,0|1,0,1]=4 8432 B12R1.267 CNCC#Cc1ccccc1F 34a_100102657272_100010404167 [0,2,0,0,0,0|1,0,1]=4 8433 B12R1.267 CNCC#Cc1ccccc1F 7a_106832991635_100010404167 [0,2,0,0,0,0|1,0,1]=4 8434 B12R1.267 CNCC=Cc1ccccc1Br 270004a_106832991635_200016268969 [0,2,0,0,0,0|1,0,1]=4 8435 B12R1.267 CNCC=Cc1ccccc1Cl 270004a_106832991635_200102525841 [0,2,0,0,0,0|1,0,1]=4 8436 B12R1.267 CNCC=Cc1ccccc1F 270004a_106832991635_200102525844 [0,2,0,0,0,0|1,0,1]=4 8437 B12R1.267 CNCCCc1ccccc1Br 2230a_106832991635_200011713681 [0,2,0,0,0,0|1,0,0]=3 8438 B12R1.267 CNCCCc1ccccc1Br 34a_100102657272_200011713681 [0,2,0,0,0,0|1,0,0]=3 8439 B12R1.267 CNCCCc1ccccc1Br 7a_106832991635_200011713681 [0,2,0,0,0,0|1,0,0]=3 8440 B12R1.267 CNCCCc1ccccc1F 2230a_100000724733_200000210301 [0,2,0,0,0,0|1,0,0]=3 8441 B12R1.267 CNCCCc1ccccc1F 34a_100000724733_200000210301 [0,2,0,0,0,0|1,0,0]=3 8442 B12R1.267 CNCCOc1ccccc1Br 2230a_100000744007_200000210301 [0,2,0,0,0,0|1,0,0]=3 8443 B12R1.267 CNCCOc1ccccc1Br 2230a_106832991635_100000695877 [0,2,0,0,0,0|1,0,0]=3 8444 B12R1.267 CNCCOc1ccccc1Br 34a_100000744007_200000210301 [0,2,0,0,0,0|1,0,0]=3 8445 B12R1.267 CNCCOc1ccccc1Br 34a_100102657272_100000695877 [0,2,0,0,0,0|1,0,0]=3 8446 B12R1.267 CNCCOc1ccccc1Br 7a_106832991635_100000695877 [0,2,0,0,0,0|1,0,0]=3 8447 B12R1.267 CNCCOc1ccccc1C 2230a_100000743344_200000210301 [0,2,0,0,0,0|1,0,0]=3 8448 B12R1.267 CNCCOc1ccccc1C 2230a_106832991635_100000184434 [0,2,0,0,0,0|1,0,0]=3 8449 B12R1.267 CNCCOc1ccccc1C 34a_100000743344_200000210301 [0,2,0,0,0,0|1,0,0]=3 8450 B12R1.267 CNCCOc1ccccc1C 34a_100102657272_100000184434 [0,2,0,0,0,0|1,0,0]=3 8451 B12R1.267 CNCCOc1ccccc1C 7a_106832991635_100000184434 [0,2,0,0,0,0|1,0,0]=3 8452 B12R1.267 CNCCOc1ccccc1Cl 2230a_100000174932_200000210301 [0,2,0,0,0,0|1,0,0]=3 8453 B12R1.267 CNCCOc1ccccc1Cl 34a_100000174932_200000210301 [0,2,0,0,0,0|1,0,0]=3 8454 B12R1.267 CNCCOc1ccccc1F 2230a_100000683764_200000210301 [0,2,0,0,0,0|1,0,0]=3 8455 B12R1.267 CNCCOc1ccccc1F 2230a_106832991635_100000183290 [0,2,0,0,0,0|1,0,0]=3 8456 B12R1.267 CNCCOc1ccccc1F 34a_100000683764_200000210301 [0,2,0,0,0,0|1,0,0]=3 8457 B12R1.267 CNCCOc1ccccc1F 34a_100102657272_100000183290 [0,2,0,0,0,0|1,0,0]=3 8458 B12R1.267 CNCCOc1ccccc1F 7a_106832991635_100000183290 [0,2,0,0,0,0|1,0,0]=3 8459 B12R1.267 COCC=Cc1ncccc1Br 271570a_100016286323_100000696092 [0,2,0,0,0,0|1,0,1]=4 8460 B12R1.267 COCC=Cc1ncccc1C 271570a_100016286323_100000751373 [0,2,0,0,0,0|1,0,1]=4 8461 B12R1.267 COCC=Cc1ncccc1Cl 271570a_100016286323_100011356963 [0,2,0,0,0,0|1,0,1]=4 8462 B12R1.267 COCC=Cc1ncccc1F 271570a_100016286323_100000685392 [0,2,0,0,0,0|1,0,1]=4 8463 B12R1.267 COCC=Cc1ncccc1N 271570a_100016286323_100000688686 [0,2,0,0,0,0|1,0,1]=4 8464 B12R1.267 COCC=Cc1ncccc1O 271570a_100016286323_100000034122 [0,2,0,0,0,0|1,0,1]=4 8465 B12R1.267 COCCCc1ccccc1Br 34a_100000699526_200000210301 [0,2,0,0,0,0|2,0,0]=4 8466 B12R1.267 COCCCc1ccccc1Br 34a_100138415774_200011713681 [0,2,0,0,0,0|2,0,0]=4 8467 B12R1.267 COCCCc1ccccc1Br 7a_100000699526_200000210301 [0,2,0,0,0,0|2,0,0]=4 8468 B12R1.267 COCCCc1ccccc1Cl 34a_100011709251_200000210301 [0,2,0,0,0,0|2,0,0]=4 8469 B12R1.267 COCCCc1ccccc1Cl 7a_100011709251_200000210301 [0,2,0,0,0,0|2,0,0]=4 8470 B12R1.267 COCCCc1ccccc1F 34a_100011709249_200000210301 [0,2,0,0,0,0|2,0,0]=4 8471 B12R1.267 COCCCc1ccccc1F 7a_100011709249_200000210301 [0,2,0,0,0,0|2,0,0]=4 8472 B12R1.267 COCCNc1ccccc1Br 34a_100000210017_100011201679 [0,2,0,0,0,0|2,0,0]=4 8473 B12R1.267 COCCNc1ccccc1C 34a_100011233185_200000210301 [0,2,0,0,0,0|2,0,0]=4 8474 B12R1.267 COCCNc1ccccc1C 34a_100015192222_100011201679 [0,2,0,0,0,0|2,0,0]=4 8475 B12R1.267 COCCNc1ccccc1Cl 34a_100000185783_100011201679 [0,2,0,0,0,0|2,0,0]=4 8476 B12R1.267 COCCNc1ccccc1F 34a_100000210422_100011201679 [0,2,0,0,0,0|2,0,0]=4 8477 B12R1.267 COCCNc1ccccc1I 34a_100000210053_100011201679 [0,2,0,0,0,0|2,0,0]=4 8478 B12R1.267 COCCNc1ccccc1N 34a_100000683943_200000210301 [0,2,0,0,0,0|2,0,0]=4 8479 B12R1.267 COCCNc1ccccc1O 34a_100000185747_100011201679 [0,2,0,0,0,0|2,0,0]=4 8480 B12R1.267 COCCNc1ncccc1Br 27a_100000209980_100000696092 [0,2,0,0,0,0|1,0,0]=3 8481 B12R1.267 COCCNc1nccnc1C 27a_100000209980_100011999405 [0,2,0,0,0,0|2,0,0]=4 8482 B12R1.267 COCCNc1nccnc1F 27a_100000209980_200010125657 [0,2,0,0,0,0|2,0,0]=4 8483 B12R1.267 COCCNc1ncncc1C 27a_100000209980_100011998708 [0,2,0,0,0,0|2,0,0]=4 8484 B12R1.267 COCCNc1ncncc1F 27a_100000209980_100000069762 [0,2,0,0,0,0|2,0,0]=4 8485 B12R1.267 COCCNc1ncncc1N 27a_100000209980_100000709731 [0,2,0,0,0,0|2,0,0]=4 8486 B12R1.267 COCCNc1nnccc1C 27a_100000209980_100000089043 [0,2,0,0,0,0|2,0,0]=4 8487 B12R1.267 COCCOc1cccc[n+]1[O-] 7a_100000211761_100000233755 [0,2,0,0,0,0|1,0,1]=4 8488 B12R1.267 COCCOc1ccccc1Br 34a_100000181306_100011201679 [0,2,0,0,0,0|2,0,0]=4 8489 B12R1.267 COCCOc1ccccc1Br 34a_100000230753_200000210301 [0,2,0,0,0,0|2,0,0]=4 8490 B12R1.267 COCCOc1ccccc1Br 34a_100138415774_100000695877 [0,2,0,0,0,0|2,0,0]=4 8491 B12R1.267 COCCOc1ccccc1Br 7a_100000181306_100000233755 [0,2,0,0,0,0|2,0,0]=4 8492 B12R1.267 COCCOc1ccccc1Br 7a_100000230753_200000210301 [0,2,0,0,0,0|2,0,0]=4 8493 B12R1.267 COCCOc1ccccc1C 34a_100000210338_100011201679 [0,2,0,0,0,0|2,0,0]=4 8494 B12R1.267 COCCOc1ccccc1C 34a_100138415774_100000184434 [0,2,0,0,0,0|2,0,0]=4 8495 B12R1.267 COCCOc1ccccc1C 7a_100000210338_100000233755 [0,2,0,0,0,0|2,0,0]=4 8496 B12R1.267 COCCOc1ccccc1Cl 34a_100000210172_100011201679 [0,2,0,0,0,0|2,0,0]=4 8497 B12R1.267 COCCOc1ccccc1Cl 34a_200000230518_200000210301 [0,2,0,0,0,0|2,0,0]=4 8498 B12R1.267 COCCOc1ccccc1Cl 7a_100000210172_100000233755 [0,2,0,0,0,0|2,0,0]=4 8499 B12R1.267 COCCOc1ccccc1Cl 7a_200000230518_200000210301 [0,2,0,0,0,0|2,0,0]=4 8500 B12R1.267 COCCOc1ccccc1F 34a_100000210171_100011201679 [0,2,0,0,0,0|2,0,0]=4 8501 B12R1.267 COCCOc1ccccc1F 34a_100000756447_200000210301 [0,2,0,0,0,0|2,0,0]=4 8502 B12R1.267 COCCOc1ccccc1F 34a_100138415774_100000183290 [0,2,0,0,0,0|2,0,0]=4 8503 B12R1.267 COCCOc1ccccc1F 7a_100000210171_100000233755 [0,2,0,0,0,0|2,0,0]=4 8504 B12R1.267 COCCOc1ccccc1F 7a_100000756447_200000210301 [0,2,0,0,0,0|2,0,0]=4 8505 B12R1.267 COCCOc1ccccc1I 34a_100000739446_100011201679 [0,2,0,0,0,0|2,0,0]=4 8506 B12R1.267 COCCOc1ccccc1I 7a_100000739446_100000233755 [0,2,0,0,0,0|2,0,0]=4 8507 B12R1.267 COCCOc1ccccc1N 34a_100000185747_100011201679 [0,2,0,0,0,0|2,0,0]=4 8508 B12R1.267 COCCOc1ccccc1N 34a_100132302172_200000210301 [0,2,0,0,0,0|2,0,0]=4 8509 B12R1.267 COCCOc1ccccc1N 7a_100000185747_100000233755 [0,2,0,0,0,0|2,0,0]=4 8510 B12R1.267 COCCOc1ccccc1O 271570a_203496583355_100000234100 [0,2,0,0,0,0|2,0,0]=4 8511 B12R1.267 COCCOc1ncccc1Cl 34a_100011290957_100011201679 [0,2,0,0,0,0|1,0,0]=3 8512 B12R1.267 COCCOc1ncccc1F 34a_100011219419_100011201679 [0,2,0,0,0,0|1,0,0]=3 8513 B12R1.267 COCCOc1ncccc1N 34a_100000746358_100011201679 [0,2,0,0,0,0|1,0,0]=3 8514 B12R1.267 COCCOc1ncccc1O 271570a_203496583355_100000754258 [0,2,0,0,0,0|1,0,0]=3 8515 B12R1.267 COCCOc1nccnc1C 34a_100000766352_100011201679 [0,2,0,0,0,0|2,0,0]=4 8516 B12R1.267 COCCSc1cccc[n+]1C 62a_100000233755_100000212160 [0,2,0,0,0,0|1,0,1]=4 8517 B12R1.267 COCCSc1cccc[n+]1[O-] 62a_100000233755_200000042595 [0,2,0,0,0,0|1,0,1]=4 8518 B12R1.267 COCCSc1ccccc1Br 34a_200000230852_200000210301 [0,2,0,0,0,0|2,0,0]=4 8519 B12R1.267 COCCSc1ccccc1Br 62a_100000233755_100000695589 [0,2,0,0,0,0|2,0,0]=4 8520 B12R1.267 COCCSc1ccccc1Br 62a_100000695589_100000233755 [0,2,0,0,0,0|2,0,0]=4 8521 B12R1.267 COCCSc1ccccc1Br 7a_200000230852_200000210301 [0,2,0,0,0,0|2,0,0]=4 8522 B12R1.267 COCCSc1ccccc1C 62a_100000210755_100000233755 [0,2,0,0,0,0|2,0,0]=4 8523 B12R1.267 COCCSc1ccccc1C 62a_100000233755_100000210755 [0,2,0,0,0,0|2,0,0]=4 8524 B12R1.267 COCCSc1ccccc1Cl 34a_200000230572_200000210301 [0,2,0,0,0,0|2,0,0]=4 8525 B12R1.267 COCCSc1ccccc1Cl 62a_100000233755_100000764095 [0,2,0,0,0,0|2,0,0]=4 8526 B12R1.267 COCCSc1ccccc1Cl 62a_100000764095_100000233755 [0,2,0,0,0,0|2,0,0]=4 8527 B12R1.267 COCCSc1ccccc1Cl 7a_200000230572_200000210301 [0,2,0,0,0,0|2,0,0]=4 8528 B12R1.267 COCCSc1ccccc1F 34a_200000230732_200000210301 [0,2,0,0,0,0|2,0,0]=4 8529 B12R1.267 COCCSc1ccccc1F 62a_100000233755_100011215700 [0,2,0,0,0,0|2,0,0]=4 8530 B12R1.267 COCCSc1ccccc1F 62a_100011215700_100000233755 [0,2,0,0,0,0|2,0,0]=4 8531 B12R1.267 COCCSc1ccccc1F 7a_200000230732_200000210301 [0,2,0,0,0,0|2,0,0]=4 8532 B12R1.267 COCCSc1ccccc1N 62a_100000210017_100000233755 [0,2,0,0,0,0|2,0,0]=4 8533 B12R1.267 COCCSc1ccccc1N 62a_100000233755_100000210017 [0,2,0,0,0,0|2,0,0]=4 8534 B12R1.267 COCCSc1ccccc1O 271570a_203496583355_200016336083 [0,2,0,0,0,0|2,0,0]=4 8535 B12R1.267 COCCSc1ccccc1O 62a_100000233755_100000739446 [0,2,0,0,0,0|2,0,0]=4 8536 B12R1.267 COCCSc1ccccc1O 62a_100000739446_100000233755 [0,2,0,0,0,0|2,0,0]=4 8537 B12R1.267 COCCSc1ncc[nH]c1=O 62a_100000233755_100000763361 [0,2,0,0,0,0|2,0,0]=4 8538 B12R1.267 COCCSc1ncccc1Br 62a_100000233755_100000696092 [0,2,0,0,0,0|1,0,0]=3 8539 B12R1.267 COCCSc1ncccc1Br 62a_100000696092_100000233755 [0,2,0,0,0,0|1,0,0]=3 8540 B12R1.267 COCCSc1ncccc1C 62a_100000233755_100000751373 [0,2,0,0,0,0|1,0,0]=3 8541 B12R1.267 COCCSc1ncccc1C 62a_100000751373_100000233755 [0,2,0,0,0,0|1,0,0]=3 8542 B12R1.267 COCCSc1ncccc1Cl 62a_100000233755_100011356963 [0,2,0,0,0,0|1,0,0]=3 8543 B12R1.267 COCCSc1ncccc1Cl 62a_100011356963_100000233755 [0,2,0,0,0,0|1,0,0]=3 8544 B12R1.267 COCCSc1ncccc1F 62a_100000233755_100000685392 [0,2,0,0,0,0|1,0,0]=3 8545 B12R1.267 COCCSc1ncccc1F 62a_100000685392_100000233755 [0,2,0,0,0,0|1,0,0]=3 8546 B12R1.267 COCCSc1ncccc1N 62a_100000233755_100000688686 [0,2,0,0,0,0|1,0,0]=3 8547 B12R1.267 COCCSc1ncccc1N 62a_100000688686_100000233755 [0,2,0,0,0,0|1,0,0]=3 8548 B12R1.267 COCCSc1ncccc1O 62a_100000034122_100000233755 [0,2,0,0,0,0|1,0,0]=3 8549 B12R1.267 COCCSc1ncccc1O 62a_100000233755_100000034122 [0,2,0,0,0,0|1,0,0]=3 8550 B12R1.267 COCCSc1nccnc1C 62a_100000233755_100011999405 [0,2,0,0,0,0|2,0,0]=4 8551 B12R1.267 COCCSc1nccnc1C 62a_100011999405_100000233755 [0,2,0,0,0,0|2,0,0]=4 8552 B12R1.267 COCCSc1nccnc1Cl 62a_100000233755_100010886584 [0,2,0,0,0,0|2,0,0]=4 8553 B12R1.267 COCCSc1nccnc1Cl 62a_100010886584_100000233755 [0,2,0,0,0,0|2,0,0]=4 8554 B12R1.267 COCCSc1nccnc1F 62a_100000233755_200010125657 [0,2,0,0,0,0|2,0,0]=4 8555 B12R1.267 COCCSc1nccnc1F 62a_200010125657_100000233755 [0,2,0,0,0,0|2,0,0]=4 8556 B12R1.267 COCCSc1nccnc1N 62a_100000233755_100000747729 [0,2,0,0,0,0|2,0,0]=4 8557 B12R1.267 COCCSc1nccnc1N 62a_100000747729_100000233755 [0,2,0,0,0,0|2,0,0]=4 8558 B12R1.267 COCCSc1ncncc1C 62a_100000233755_100011998708 [0,2,0,0,0,0|2,0,0]=4 8559 B12R1.267 COCCSc1ncncc1C 62a_100011998708_100000233755 [0,2,0,0,0,0|2,0,0]=4 8560 B12R1.267 COCCSc1ncncc1F 62a_100000069762_100000233755 [0,2,0,0,0,0|2,0,0]=4 8561 B12R1.267 COCCSc1ncncc1F 62a_100000233755_100000069762 [0,2,0,0,0,0|2,0,0]=4 8562 B12R1.267 COCCSc1ncncc1N 62a_100000233755_100000709731 [0,2,0,0,0,0|2,0,0]=4 8563 B12R1.267 COCCSc1ncncc1N 62a_100000709731_100000233755 [0,2,0,0,0,0|2,0,0]=4 8564 B12R1.267 COCCSc1nnccc1C 62a_100000233755_100000089043 [0,2,0,0,0,0|2,0,0]=4 8565 B12R1.267 COCNCc1ccccc1Br 2230a_100000689332_100000766300 [0,2,0,0,0,0|2,0,0]=4 8566 B12R1.267 COCNCc1ccccc1Cl 2230a_100000174879_100000766300 [0,2,0,0,0,0|2,0,0]=4 8567 B12R1.267 COCNCc1ncccc1Cl 2230a_100015189233_100000766300 [0,2,0,0,0,0|1,0,0]=3 8568 B12R1.267 COCNCc1nccnc1C 2230a_100020641712_100000766300 [0,2,0,0,0,0|2,0,0]=4 8569 B12R1.267 COCNCc1nccnc1Cl 2230a_100000729963_100000766300 [0,2,0,0,0,0|2,0,0]=4 8570 B12R1.267 COCSCc1ccccc1Br 62a_100000184730_100000766300 [0,2,0,0,0,0|2,0,0]=4 8571 B12R1.267 COCSCc1ccccc1Br 62a_100000766300_100000184730 [0,2,0,0,0,0|2,0,0]=4 8572 B12R1.267 COCSCc1ccccc1C 62a_100000211839_100000766300 [0,2,0,0,0,0|2,0,0]=4 8573 B12R1.267 COCSCc1ccccc1C 62a_100000766300_100000211839 [0,2,0,0,0,0|2,0,0]=4 8574 B12R1.267 COCSCc1ccccc1Cl 62a_100000187162_100000766300 [0,2,0,0,0,0|2,0,0]=4 8575 B12R1.267 COCSCc1ccccc1Cl 62a_100000766300_100000187162 [0,2,0,0,0,0|2,0,0]=4 8576 B12R1.267 COCSCc1ccccc1F 62a_100000211605_100000766300 [0,2,0,0,0,0|2,0,0]=4 8577 B12R1.267 COCSCc1ccccc1F 62a_100000766300_100000211605 [0,2,0,0,0,0|2,0,0]=4 8578 B12R1.267 COCSCc1ccccc1I 62a_100000766300_100011216222 [0,2,0,0,0,0|2,0,0]=4 8579 B12R1.267 COCSCc1ccccc1I 62a_100011216222_100000766300 [0,2,0,0,0,0|2,0,0]=4 8580 B12R1.267 COCSCc1ncccc1Br 62a_100000766300_100025702911 [0,2,0,0,0,0|1,0,0]=3 8581 B12R1.267 COCSCc1ncccc1Br 62a_100025702911_100000766300 [0,2,0,0,0,0|1,0,0]=3 8582 B12R1.267 COCSCc1ncccc1C 62a_100000696600_100000766300 [0,2,0,0,0,0|1,0,0]=3 8583 B12R1.267 COCSCc1ncccc1C 62a_100000766300_100000696600 [0,2,0,0,0,0|1,0,0]=3 8584 B12R1.267 COCSCc1ncccc1Cl 62a_100000099807_100000766300 [0,2,0,0,0,0|1,0,0]=3 8585 B12R1.267 COCSCc1ncccc1Cl 62a_100000766300_100000099807 [0,2,0,0,0,0|1,0,0]=3 8586 B12R1.267 COCSCc1ncccc1F 62a_100000104219_100000766300 [0,2,0,0,0,0|1,0,0]=3 8587 B12R1.267 COCSCc1ncccc1F 62a_100000766300_100000104219 [0,2,0,0,0,0|1,0,0]=3 8588 B12R1.267 COCSCc1ncccc1O 62a_100000766300_200020655725 [0,2,0,0,0,0|1,0,0]=3 8589 B12R1.267 COCSCc1ncccc1O 62a_200020655725_100000766300 [0,2,0,0,0,0|1,0,0]=3 8590 B12R1.267 CSCCCc1ccccc1Br 62a_200000210301_200011713681 [0,2,0,0,0,0|2,0,0]=4 8591 B12R1.267 CSCCCc1ccccc1Br 62a_200011713681_200000210301 [0,2,0,0,0,0|2,0,0]=4 8592 B12R1.267 CSCCNc1ccccc1Br 34a_100000210017_100000212216 [0,2,0,0,0,0|2,0,0]=4 8593 B12R1.267 CSCCNc1ccccc1C 34a_100015192222_100000212216 [0,2,0,0,0,0|2,0,0]=4 8594 B12R1.267 CSCCNc1ccccc1Cl 34a_100000185783_100000212216 [0,2,0,0,0,0|2,0,0]=4 8595 B12R1.267 CSCCNc1ccccc1F 34a_100000210422_100000212216 [0,2,0,0,0,0|2,0,0]=4 8596 B12R1.267 CSCCNc1ccccc1I 34a_100000210053_100000212216 [0,2,0,0,0,0|2,0,0]=4 8597 B12R1.267 CSCCNc1ccccc1O 34a_100000185747_100000212216 [0,2,0,0,0,0|2,0,0]=4 8598 B12R1.267 CSCCNc1ncccc1Br 27a_100020590264_100000696092 [0,2,0,0,0,0|1,0,0]=3 8599 B12R1.267 CSCCNc1nccnc1C 27a_100020590264_100011999405 [0,2,0,0,0,0|2,0,0]=4 8600 B12R1.267 CSCCNc1nccnc1F 27a_100020590264_200010125657 [0,2,0,0,0,0|2,0,0]=4 8601 B12R1.267 CSCCNc1ncncc1C 27a_100020590264_100011998708 [0,2,0,0,0,0|2,0,0]=4 8602 B12R1.267 CSCCNc1ncncc1F 27a_100020590264_100000069762 [0,2,0,0,0,0|2,0,0]=4 8603 B12R1.267 CSCCNc1ncncc1N 27a_100020590264_100000709731 [0,2,0,0,0,0|2,0,0]=4 8604 B12R1.267 CSCCNc1nnccc1C 27a_100020590264_100000089043 [0,2,0,0,0,0|2,0,0]=4 8605 B12R1.267 CSCCOc1cccc[n+]1[O-] 7a_100000211761_100000212216 [0,2,0,0,0,0|1,0,1]=4 8606 B12R1.267 CSCCOc1ccccc1Br 34a_100000181306_100000212216 [0,2,0,0,0,0|2,0,0]=4 8607 B12R1.267 CSCCOc1ccccc1Br 62a_100000695877_200000210301 [0,2,0,0,0,0|2,0,0]=4 8608 B12R1.267 CSCCOc1ccccc1Br 62a_200000210301_100000695877 [0,2,0,0,0,0|2,0,0]=4 8609 B12R1.267 CSCCOc1ccccc1Br 7a_100000181306_100000212216 [0,2,0,0,0,0|2,0,0]=4 8610 B12R1.267 CSCCOc1ccccc1C 34a_100000210338_100000212216 [0,2,0,0,0,0|2,0,0]=4 8611 B12R1.267 CSCCOc1ccccc1C 62a_100000184434_200000210301 [0,2,0,0,0,0|2,0,0]=4 8612 B12R1.267 CSCCOc1ccccc1C 62a_200000210301_100000184434 [0,2,0,0,0,0|2,0,0]=4 8613 B12R1.267 CSCCOc1ccccc1C 7a_100000210338_100000212216 [0,2,0,0,0,0|2,0,0]=4 8614 B12R1.267 CSCCOc1ccccc1Cl 34a_100000210172_100000212216 [0,2,0,0,0,0|2,0,0]=4 8615 B12R1.267 CSCCOc1ccccc1Cl 7a_100000210172_100000212216 [0,2,0,0,0,0|2,0,0]=4 8616 B12R1.267 CSCCOc1ccccc1F 34a_100000210171_100000212216 [0,2,0,0,0,0|2,0,0]=4 8617 B12R1.267 CSCCOc1ccccc1F 62a_100000183290_200000210301 [0,2,0,0,0,0|2,0,0]=4 8618 B12R1.267 CSCCOc1ccccc1F 62a_200000210301_100000183290 [0,2,0,0,0,0|2,0,0]=4 8619 B12R1.267 CSCCOc1ccccc1F 7a_100000210171_100000212216 [0,2,0,0,0,0|2,0,0]=4 8620 B12R1.267 CSCCOc1ccccc1I 34a_100000739446_100000212216 [0,2,0,0,0,0|2,0,0]=4 8621 B12R1.267 CSCCOc1ccccc1I 7a_100000739446_100000212216 [0,2,0,0,0,0|2,0,0]=4 8622 B12R1.267 CSCCOc1ccccc1N 34a_100000185747_100000212216 [0,2,0,0,0,0|2,0,0]=4 8623 B12R1.267 CSCCOc1ccccc1N 7a_100000185747_100000212216 [0,2,0,0,0,0|2,0,0]=4 8624 B12R1.267 CSCCOc1ncccc1Cl 34a_100011290957_100000212216 [0,2,0,0,0,0|1,0,0]=3 8625 B12R1.267 CSCCOc1ncccc1F 34a_100011219419_100000212216 [0,2,0,0,0,0|1,0,0]=3 8626 B12R1.267 CSCCOc1ncccc1N 34a_100000746358_100000212216 [0,2,0,0,0,0|1,0,0]=3 8627 B12R1.267 CSCCOc1nccnc1C 34a_100000766352_100000212216 [0,2,0,0,0,0|2,0,0]=4 8628 B12R1.267 CSCCSc1cccc[n+]1C 62a_100000212216_100000212160 [0,2,0,0,0,0|1,0,1]=4 8629 B12R1.267 CSCCSc1cccc[n+]1[O-] 62a_100000212216_200000042595 [0,2,0,0,0,0|1,0,1]=4 8630 B12R1.267 CSCCSc1ccccc1Br 62a_100000212216_100000695589 [0,2,0,0,0,0|2,0,0]=4 8631 B12R1.267 CSCCSc1ccccc1Br 62a_100000695589_100000751147 [0,2,0,0,0,0|2,0,0]=4 8632 B12R1.267 CSCCSc1ccccc1C 62a_100000210755_100000751147 [0,2,0,0,0,0|2,0,0]=4 8633 B12R1.267 CSCCSc1ccccc1C 62a_100000212216_100000210755 [0,2,0,0,0,0|2,0,0]=4 8634 B12R1.267 CSCCSc1ccccc1Cl 62a_100000212216_100000764095 [0,2,0,0,0,0|2,0,0]=4 8635 B12R1.267 CSCCSc1ccccc1Cl 62a_100000764095_100000751147 [0,2,0,0,0,0|2,0,0]=4 8636 B12R1.267 CSCCSc1ccccc1F 62a_100000212216_100011215700 [0,2,0,0,0,0|2,0,0]=4 8637 B12R1.267 CSCCSc1ccccc1F 62a_100011215700_100000751147 [0,2,0,0,0,0|2,0,0]=4 8638 B12R1.267 CSCCSc1ccccc1N 62a_100000210017_100000751147 [0,2,0,0,0,0|2,0,0]=4 8639 B12R1.267 CSCCSc1ccccc1N 62a_100000212216_100000210017 [0,2,0,0,0,0|2,0,0]=4 8640 B12R1.267 CSCCSc1ccccc1O 62a_100000212216_100000739446 [0,2,0,0,0,0|2,0,0]=4 8641 B12R1.267 CSCCSc1ccccc1O 62a_100000739446_100000751147 [0,2,0,0,0,0|2,0,0]=4 8642 B12R1.267 CSCCSc1ncc[nH]c1=O 62a_100000212216_100000763361 [0,2,0,0,0,0|2,0,0]=4 8643 B12R1.267 CSCCSc1ncccc1Br 62a_100000212216_100000696092 [0,2,0,0,0,0|1,0,0]=3 8644 B12R1.267 CSCCSc1ncccc1Br 62a_100000696092_100000751147 [0,2,0,0,0,0|1,0,0]=3 8645 B12R1.267 CSCCSc1ncccc1C 62a_100000212216_100000751373 [0,2,0,0,0,0|1,0,0]=3 8646 B12R1.267 CSCCSc1ncccc1C 62a_100000751373_100000751147 [0,2,0,0,0,0|1,0,0]=3 8647 B12R1.267 CSCCSc1ncccc1Cl 62a_100000212216_100011356963 [0,2,0,0,0,0|1,0,0]=3 8648 B12R1.267 CSCCSc1ncccc1Cl 62a_100011356963_100000751147 [0,2,0,0,0,0|1,0,0]=3 8649 B12R1.267 CSCCSc1ncccc1F 62a_100000212216_100000685392 [0,2,0,0,0,0|1,0,0]=3 8650 B12R1.267 CSCCSc1ncccc1F 62a_100000685392_100000751147 [0,2,0,0,0,0|1,0,0]=3 8651 B12R1.267 CSCCSc1ncccc1N 62a_100000212216_100000688686 [0,2,0,0,0,0|1,0,0]=3 8652 B12R1.267 CSCCSc1ncccc1N 62a_100000688686_100000751147 [0,2,0,0,0,0|1,0,0]=3 8653 B12R1.267 CSCCSc1ncccc1O 62a_100000034122_100000751147 [0,2,0,0,0,0|1,0,0]=3 8654 B12R1.267 CSCCSc1ncccc1O 62a_100000212216_100000034122 [0,2,0,0,0,0|1,0,0]=3 8655 B12R1.267 CSCCSc1nccnc1C 62a_100000212216_100011999405 [0,2,0,0,0,0|2,0,0]=4 8656 B12R1.267 CSCCSc1nccnc1C 62a_100011999405_100000751147 [0,2,0,0,0,0|2,0,0]=4 8657 B12R1.267 CSCCSc1nccnc1Cl 62a_100000212216_100010886584 [0,2,0,0,0,0|2,0,0]=4 8658 B12R1.267 CSCCSc1nccnc1Cl 62a_100010886584_100000751147 [0,2,0,0,0,0|2,0,0]=4 8659 B12R1.267 CSCCSc1nccnc1F 62a_100000212216_200010125657 [0,2,0,0,0,0|2,0,0]=4 8660 B12R1.267 CSCCSc1nccnc1F 62a_200010125657_100000751147 [0,2,0,0,0,0|2,0,0]=4 8661 B12R1.267 CSCCSc1nccnc1N 62a_100000212216_100000747729 [0,2,0,0,0,0|2,0,0]=4 8662 B12R1.267 CSCCSc1nccnc1N 62a_100000747729_100000751147 [0,2,0,0,0,0|2,0,0]=4 8663 B12R1.267 CSCCSc1ncncc1C 62a_100000212216_100011998708 [0,2,0,0,0,0|2,0,0]=4 8664 B12R1.267 CSCCSc1ncncc1C 62a_100011998708_100000751147 [0,2,0,0,0,0|2,0,0]=4 8665 B12R1.267 CSCCSc1ncncc1F 62a_100000069762_100000751147 [0,2,0,0,0,0|2,0,0]=4 8666 B12R1.267 CSCCSc1ncncc1F 62a_100000212216_100000069762 [0,2,0,0,0,0|2,0,0]=4 8667 B12R1.267 CSCCSc1ncncc1N 62a_100000212216_100000709731 [0,2,0,0,0,0|2,0,0]=4 8668 B12R1.267 CSCCSc1ncncc1N 62a_100000709731_100000751147 [0,2,0,0,0,0|2,0,0]=4 8669 B12R1.267 CSCCSc1nnccc1C 62a_100000212216_100000089043 [0,2,0,0,0,0|2,0,0]=4 8670 B12R1.267 CSCNCc1ccccc1Br 2230a_100000689332_100011218213 [0,2,0,0,0,0|2,0,0]=4 8671 B12R1.267 CSCNCc1ccccc1Br 34a_100000689332_100011218213 [0,2,0,0,0,0|2,0,0]=4 8672 B12R1.267 CSCNCc1ccccc1C 34a_100000174972_100011218213 [0,2,0,0,0,0|2,0,0]=4 8673 B12R1.267 CSCNCc1ccccc1Cl 2230a_100000174879_100011218213 [0,2,0,0,0,0|2,0,0]=4 8674 B12R1.267 CSCNCc1ccccc1Cl 34a_100000174879_100011218213 [0,2,0,0,0,0|2,0,0]=4 8675 B12R1.267 CSCNCc1ccccc1F 34a_100000174869_100011218213 [0,2,0,0,0,0|2,0,0]=4 8676 B12R1.267 CSCNCc1ccccc1O 34a_100000185550_100011218213 [0,2,0,0,0,0|2,0,0]=4 8677 B12R1.267 CSCNCc1ncccc1C 34a_100011223789_100011218213 [0,2,0,0,0,0|1,0,0]=3 8678 B12R1.267 CSCNCc1ncccc1Cl 2230a_100015189233_100011218213 [0,2,0,0,0,0|1,0,0]=3 8679 B12R1.267 CSCNCc1ncccc1F 34a_100000690088_100011218213 [0,2,0,0,0,0|1,0,0]=3 8680 B12R1.267 CSCNCc1nccnc1C 2230a_100020641712_100011218213 [0,2,0,0,0,0|2,0,0]=4 8681 B12R1.267 CSCNCc1nccnc1C 34a_100020641712_100011218213 [0,2,0,0,0,0|2,0,0]=4 8682 B12R1.267 CSCNCc1nccnc1Cl 2230a_100000729963_100011218213 [0,2,0,0,0,0|2,0,0]=4 8683 B12R1.267 CSCOCc1ccccc1Br 34a_100000756307_100011218213 [0,2,0,0,0,0|2,0,0]=4 8684 B12R1.267 CSCOCc1ccccc1C 34a_100000698903_100011218213 [0,2,0,0,0,0|2,0,0]=4 8685 B12R1.267 CSCOCc1ccccc1Cl 34a_100000210847_100011218213 [0,2,0,0,0,0|2,0,0]=4 8686 B12R1.267 CSCOCc1ccccc1F 34a_100000211962_100011218213 [0,2,0,0,0,0|2,0,0]=4 8687 B12R1.267 CSCOCc1ccccc1I 34a_100000187465_100011218213 [0,2,0,0,0,0|2,0,0]=4 8688 B12R1.267 CSCOCc1ccccc1N 34a_100000212039_100011218213 [0,2,0,0,0,0|2,0,0]=4 8689 B12R1.267 CSCOCc1ncccc1Br 34a_100011996772_100011218213 [0,2,0,0,0,0|1,0,0]=3 8690 B12R1.267 CSCOCc1ncccc1C 34a_100000698912_100011218213 [0,2,0,0,0,0|1,0,0]=3 8691 B12R1.267 CSCOCc1ncccc1Cl 34a_100012002383_100011218213 [0,2,0,0,0,0|1,0,0]=3 8692 B12R1.267 CSCOCc1ncccc1F 34a_100011934865_100011218213 [0,2,0,0,0,0|1,0,0]=3 8693 B12R1.267 CSCOCc1ncccc1N 34a_114873767017_100011218213 [0,2,0,0,0,0|1,0,0]=3 8694 B12R1.267 CSCOCc1nccnc1Cl 34a_100000057004_100011218213 [0,2,0,0,0,0|2,0,0]=4 8695 B12R1.267 CSCSCc1ccccc1Br 62a_100000184730_100011218213 [0,2,0,0,0,0|2,0,0]=4 8696 B12R1.267 CSCSCc1ccccc1Br 62a_100011218213_100000184730 [0,2,0,0,0,0|2,0,0]=4 8697 B12R1.267 CSCSCc1ccccc1C 62a_100000211839_100011218213 [0,2,0,0,0,0|2,0,0]=4 8698 B12R1.267 CSCSCc1ccccc1C 62a_100011218213_100000211839 [0,2,0,0,0,0|2,0,0]=4 8699 B12R1.267 CSCSCc1ccccc1Cl 62a_100000187162_100011218213 [0,2,0,0,0,0|2,0,0]=4 8700 B12R1.267 CSCSCc1ccccc1Cl 62a_100011218213_100000187162 [0,2,0,0,0,0|2,0,0]=4 8701 B12R1.267 CSCSCc1ccccc1F 62a_100000211605_100011218213 [0,2,0,0,0,0|2,0,0]=4 8702 B12R1.267 CSCSCc1ccccc1F 62a_100011218213_100000211605 [0,2,0,0,0,0|2,0,0]=4 8703 B12R1.267 CSCSCc1ccccc1I 62a_100011216222_100011218213 [0,2,0,0,0,0|2,0,0]=4 8704 B12R1.267 CSCSCc1ccccc1I 62a_100011218213_100011216222 [0,2,0,0,0,0|2,0,0]=4 8705 B12R1.267 CSCSCc1ncccc1Br 62a_100011218213_100025702911 [0,2,0,0,0,0|1,0,0]=3 8706 B12R1.267 CSCSCc1ncccc1Br 62a_100025702911_100011218213 [0,2,0,0,0,0|1,0,0]=3 8707 B12R1.267 CSCSCc1ncccc1C 62a_100000696600_100011218213 [0,2,0,0,0,0|1,0,0]=3 8708 B12R1.267 CSCSCc1ncccc1C 62a_100011218213_100000696600 [0,2,0,0,0,0|1,0,0]=3 8709 B12R1.267 CSCSCc1ncccc1Cl 62a_100000099807_100011218213 [0,2,0,0,0,0|1,0,0]=3 8710 B12R1.267 CSCSCc1ncccc1Cl 62a_100011218213_100000099807 [0,2,0,0,0,0|1,0,0]=3 8711 B12R1.267 CSCSCc1ncccc1F 62a_100000104219_100011218213 [0,2,0,0,0,0|1,0,0]=3 8712 B12R1.267 CSCSCc1ncccc1F 62a_100011218213_100000104219 [0,2,0,0,0,0|1,0,0]=3 8713 B12R1.267 CSCSCc1ncccc1O 62a_100011218213_200020655725 [0,2,0,0,0,0|1,0,0]=3 8714 B12R1.267 CSCSCc1ncccc1O 62a_200020655725_100011218213 [0,2,0,0,0,0|1,0,0]=3 8715 B12R1.267 Cc1ccccc1CCNCF 34a_100000685071_100015361967 [0,2,0,0,0,0|1,0,0]=3 8716 B12R1.267 Cc1ccccc1CCOCF 34a_100011220023_100015361967 [0,2,0,0,0,0|2,0,0]=4 8717 B12R1.267 Cc1ccccc1CCOCF 7a_100011220023_100015361967 [0,2,0,0,0,0|2,0,0]=4 8718 B12R1.267 Cc1ccccc1CCSCF 62a_100011713688_100015361967 [0,2,0,0,0,0|2,0,0]=4 8719 B12R1.267 Cc1ccccc1CCSCF 62a_100015361967_100011713688 [0,2,0,0,0,0|2,0,0]=4 8720 B12R1.267 Cc1ccccc1NCCO[13CH3] 34a_100011233185_200025704644 [0,2,0,0,0,0|2,0,0]=4 8721 B12R1.267 Cc1ccccc1OCCN[13CH3] 2230a_100000743344_200025704644 [0,2,0,0,0,0|1,0,0]=3 8722 B12R1.267 Cc1ccccc1OCCN[13CH3] 34a_100000743344_200025704644 [0,2,0,0,0,0|1,0,0]=3 8723 B12R1.267 Cc1ccccc1OCCS[13CH3] 62a_100000184434_200025704644 [0,2,0,0,0,0|2,0,0]=4 8724 B12R1.267 Cc1ccccc1OCCS[13CH3] 62a_200025704644_100000184434 [0,2,0,0,0,0|2,0,0]=4 8725 B12R1.267 Cc1cccnc1CCOCF 34a_100011997706_100015361967 [0,2,0,0,0,0|1,0,0]=3 8726 B12R1.267 Cc1cccnc1CCOCF 7a_100011997706_100015361967 [0,2,0,0,0,0|1,0,0]=3 8727 B12R1.267 Cc1cccnc1CNCC=O 34a_100011223789_200009817547 [0,2,0,0,0,0|2,0,0]=4 8728 B12R1.267 Cc1cccnc1CNCCF 34a_100000724931_100000696600 [0,2,0,0,0,0|2,0,0]=4 8729 B12R1.267 Cc1cccnc1CNCCF 34a_100011223789_100011217306 [0,2,0,0,0,0|2,0,0]=4 8730 B12R1.267 Cc1cccnc1CNCCO 207a_100000210304_100000698913 [0,2,0,0,0,0|2,0,0]=4 8731 B12R1.267 Cc1cccnc1CNCCO 2230a_100016997473_100000696600 [0,2,0,0,0,0|2,0,0]=4 8732 B12R1.267 Cc1cccnc1CNCCO 270004a_100000210304_100000698913 [0,2,0,0,0,0|2,0,0]=4 8733 B12R1.267 Cc1cccnc1CNCCO 34a_100011223789_100000211926 [0,2,0,0,0,0|2,0,0]=4 8734 B12R1.267 Cc1cccnc1CNCCO 34a_100016990907_100000696600 [0,2,0,0,0,0|2,0,0]=4 8735 B12R1.267 Cc1cccnc1COCC=O 34a_100000698912_200009817547 [0,2,0,0,0,0|2,0,0]=4 8736 B12R1.267 Cc1cccnc1COCCBr 34a_100000211926_100000696600 [0,2,0,0,0,0|2,0,0]=4 8737 B12R1.267 Cc1cccnc1COCCF 34a_100000698912_100011217306 [0,2,0,0,0,0|2,0,0]=4 8738 B12R1.267 Cc1cccnc1COCCN 34a_100000210304_100000696600 [0,2,0,0,0,0|2,0,0]=4 8739 B12R1.267 Cc1cccnc1COCCO 34a_100000698912_100000211926 [0,2,0,0,0,0|2,0,0]=4 8740 B12R1.267 Cc1cccnc1CSCC#N 62a_100000696600_100011215382 [0,2,0,0,0,0|2,0,0]=4 8741 B12R1.267 Cc1cccnc1CSCC#N 62a_100011215382_100000696600 [0,2,0,0,0,0|2,0,0]=4 8742 B12R1.267 Cc1cccnc1CSCC=O 62a_100000696600_200015260668 [0,2,0,0,0,0|2,0,0]=4 8743 B12R1.267 Cc1cccnc1CSCC=O 62a_200015260668_100000696600 [0,2,0,0,0,0|2,0,0]=4 8744 B12R1.267 Cc1cccnc1CSCCF 62a_100000696600_100011217306 [0,2,0,0,0,0|2,0,0]=4 8745 B12R1.267 Cc1cccnc1CSCCF 62a_100011217306_100000696600 [0,2,0,0,0,0|2,0,0]=4 8746 B12R1.267 Cc1cccnc1CSCCO 62a_100000211926_100000696600 [0,2,0,0,0,0|2,0,0]=4 8747 B12R1.267 Cc1cccnc1CSCCO 62a_100000696600_100000211926 [0,2,0,0,0,0|2,0,0]=4 8748 B12R1.267 Cc1cccnc1SCCC#N 62a_100000751373_100011215226 [0,2,0,0,0,0|2,0,0]=4 8749 B12R1.267 Cc1cccnc1SCCC#N 62a_100011215226_100000751373 [0,2,0,0,0,0|2,0,0]=4 8750 B12R1.267 Cc1cccnc1SCCCF 62a_100000751373_100011934791 [0,2,0,0,0,0|2,0,0]=4 8751 B12R1.267 Cc1cccnc1SCCCF 62a_100011934791_100000751373 [0,2,0,0,0,0|2,0,0]=4 8752 B12R1.267 Cc1cccnc1SCCCO 62a_100000751373_100011215043 [0,2,0,0,0,0|2,0,0]=4 8753 B12R1.267 Cc1cccnc1SCCCO 62a_100011215043_100000751373 [0,2,0,0,0,0|2,0,0]=4 8754 B12R1.267 FCCCNc1ncccc1Br 27a_100015189416_100000696092 [0,2,0,0,0,0|2,0,0]=4 8755 B12R1.267 FCCCOc1ncccc1Cl 34a_100011290957_100011934791 [0,2,0,0,0,0|2,0,0]=4 8756 B12R1.267 FCCCOc1ncccc1F 34a_100011219419_100011934791 [0,2,0,0,0,0|2,0,0]=4 8757 B12R1.267 FCCCSc1ncccc1Br 62a_100000696092_100011934791 [0,2,0,0,0,0|2,0,0]=4 8758 B12R1.267 FCCCSc1ncccc1Br 62a_100011934791_100000696092 [0,2,0,0,0,0|2,0,0]=4 8759 B12R1.267 FCCCSc1ncccc1Cl 62a_100011356963_100011934791 [0,2,0,0,0,0|2,0,0]=4 8760 B12R1.267 FCCCSc1ncccc1Cl 62a_100011934791_100011356963 [0,2,0,0,0,0|2,0,0]=4 8761 B12R1.267 FCCCSc1ncccc1F 62a_100000685392_100011934791 [0,2,0,0,0,0|2,0,0]=4 8762 B12R1.267 FCCCSc1ncccc1F 62a_100011934791_100000685392 [0,2,0,0,0,0|2,0,0]=4 8763 B12R1.267 FCCNCc1ncccc1Br 34a_100000724931_100025702911 [0,2,0,0,0,0|2,0,0]=4 8764 B12R1.267 FCCNCc1ncccc1Cl 2230a_100015189233_100011217306 [0,2,0,0,0,0|2,0,0]=4 8765 B12R1.267 FCCNCc1ncccc1F 34a_100000690088_100011217306 [0,2,0,0,0,0|2,0,0]=4 8766 B12R1.267 FCCNCc1ncccc1F 34a_100000724931_100000104219 [0,2,0,0,0,0|2,0,0]=4 8767 B12R1.267 FCCOCc1ncccc1Br 34a_100011996772_100011217306 [0,2,0,0,0,0|2,0,0]=4 8768 B12R1.267 FCCOCc1ncccc1Cl 34a_100012002383_100011217306 [0,2,0,0,0,0|2,0,0]=4 8769 B12R1.267 FCCOCc1ncccc1F 34a_100011934865_100011217306 [0,2,0,0,0,0|2,0,0]=4 8770 B12R1.267 FCCSCc1ncccc1Br 62a_100011217306_100025702911 [0,2,0,0,0,0|2,0,0]=4 8771 B12R1.267 FCCSCc1ncccc1Br 62a_100025702911_100011217306 [0,2,0,0,0,0|2,0,0]=4 8772 B12R1.267 FCCSCc1ncccc1Cl 62a_100000099807_100011217306 [0,2,0,0,0,0|2,0,0]=4 8773 B12R1.267 FCCSCc1ncccc1Cl 62a_100011217306_100000099807 [0,2,0,0,0,0|2,0,0]=4 8774 B12R1.267 FCCSCc1ncccc1F 62a_100000104219_100011217306 [0,2,0,0,0,0|2,0,0]=4 8775 B12R1.267 FCCSCc1ncccc1F 62a_100011217306_100000104219 [0,2,0,0,0,0|2,0,0]=4 8776 B12R1.267 FCNCCc1ccccc1Br 34a_100000747383_100015361967 [0,2,0,0,0,0|1,0,0]=3 8777 B12R1.267 FCNCCc1ccccc1Cl 34a_100011207228_100015361967 [0,2,0,0,0,0|1,0,0]=3 8778 B12R1.267 FCNCCc1ccccc1F 34a_100000185272_100015361967 [0,2,0,0,0,0|1,0,0]=3 8779 B12R1.267 FCOCCc1ccccc1Br 34a_100000731337_100015361967 [0,2,0,0,0,0|2,0,0]=4 8780 B12R1.267 FCOCCc1ccccc1Br 7a_100000731337_100015361967 [0,2,0,0,0,0|2,0,0]=4 8781 B12R1.267 FCOCCc1ccccc1Cl 34a_100011215284_100015361967 [0,2,0,0,0,0|2,0,0]=4 8782 B12R1.267 FCOCCc1ccccc1Cl 7a_100011215284_100015361967 [0,2,0,0,0,0|2,0,0]=4 8783 B12R1.267 FCOCCc1ccccc1F 34a_100000753711_100015361967 [0,2,0,0,0,0|2,0,0]=4 8784 B12R1.267 FCOCCc1ccccc1F 7a_100000753711_100015361967 [0,2,0,0,0,0|2,0,0]=4 8785 B12R1.267 FCOCCc1ccccc1I 34a_100010255290_100015361967 [0,2,0,0,0,0|2,0,0]=4 8786 B12R1.267 FCOCCc1ccccc1I 7a_100010255290_100015361967 [0,2,0,0,0,0|2,0,0]=4 8787 B12R1.267 FCSCCc1ccccc1Br 62a_100012161201_100015361967 [0,2,0,0,0,0|2,0,0]=4 8788 B12R1.267 FCSCCc1ccccc1Br 62a_100015361967_100012161201 [0,2,0,0,0,0|2,0,0]=4 8789 B12R1.267 FCSCCc1ccccc1Cl 62a_100011713703_100015361967 [0,2,0,0,0,0|2,0,0]=4 8790 B12R1.267 FCSCCc1ccccc1Cl 62a_100015361967_100011713703 [0,2,0,0,0,0|2,0,0]=4 8791 B12R1.267 FCSCCc1ccccc1F 62a_100011713696_100015361967 [0,2,0,0,0,0|2,0,0]=4 8792 B12R1.267 FCSCCc1ccccc1F 62a_100015361967_100011713696 [0,2,0,0,0,0|2,0,0]=4 8793 B12R1.267 Fc1cccnc1COCCBr 34a_100000211926_100000104219 [0,2,0,0,0,0|2,0,0]=4 8794 B12R1.267 N#CCCNc1ncccc1Br 27a_100000720768_100000696092 [0,2,0,0,0,0|2,0,0]=4 8795 B12R1.267 N#CCCSc1ncccc1Br 62a_100000696092_100011215226 [0,2,0,0,0,0|2,0,0]=4 8796 B12R1.267 N#CCCSc1ncccc1Br 62a_100011215226_100000696092 [0,2,0,0,0,0|2,0,0]=4 8797 B12R1.267 N#CCCSc1ncccc1Cl 62a_100011215226_100011356963 [0,2,0,0,0,0|2,0,0]=4 8798 B12R1.267 N#CCCSc1ncccc1Cl 62a_100011356963_100011215226 [0,2,0,0,0,0|2,0,0]=4 8799 B12R1.267 N#CCCSc1ncccc1F 62a_100000685392_100011215226 [0,2,0,0,0,0|2,0,0]=4 8800 B12R1.267 N#CCCSc1ncccc1F 62a_100011215226_100000685392 [0,2,0,0,0,0|2,0,0]=4 8801 B12R1.267 N#CCCSc1ncccc1N 62a_100000688686_100011215226 [0,2,0,0,0,0|2,0,0]=4 8802 B12R1.267 N#CCCSc1ncccc1N 62a_100011215226_100000688686 [0,2,0,0,0,0|2,0,0]=4 8803 B12R1.267 N#CCCSc1ncccc1O 62a_100000034122_100011215226 [0,2,0,0,0,0|2,0,0]=4 8804 B12R1.267 N#CCCSc1ncccc1O 62a_100011215226_100000034122 [0,2,0,0,0,0|2,0,0]=4 8805 B12R1.267 N#CCNCc1ncccc1Cl 2230a_100015189233_100011215382 [0,2,0,0,0,0|2,0,0]=4 8806 B12R1.267 N#CCSCc1ncccc1Br 62a_100011215382_100025702911 [0,2,0,0,0,0|2,0,0]=4 8807 B12R1.267 N#CCSCc1ncccc1Br 62a_100025702911_100011215382 [0,2,0,0,0,0|2,0,0]=4 8808 B12R1.267 N#CCSCc1ncccc1Cl 62a_100000099807_100011215382 [0,2,0,0,0,0|2,0,0]=4 8809 B12R1.267 N#CCSCc1ncccc1Cl 62a_100011215382_100000099807 [0,2,0,0,0,0|2,0,0]=4 8810 B12R1.267 N#CCSCc1ncccc1F 62a_100000104219_100011215382 [0,2,0,0,0,0|2,0,0]=4 8811 B12R1.267 N#CCSCc1ncccc1F 62a_100011215382_100000104219 [0,2,0,0,0,0|2,0,0]=4 8812 B12R1.267 N#CCSCc1ncccc1O 62a_100011215382_200020655725 [0,2,0,0,0,0|2,0,0]=4 8813 B12R1.267 N#CCSCc1ncccc1O 62a_200020655725_100011215382 [0,2,0,0,0,0|2,0,0]=4 8814 B12R1.267 NCCOCc1ncccc1Br 34a_100000210304_100025702911 [0,2,0,0,0,0|2,0,0]=4 8815 B12R1.267 NCCOCc1ncccc1F 34a_100000210304_100000104219 [0,2,0,0,0,0|2,0,0]=4 8816 B12R1.267 NCCOCc1ncccc1O 34a_100000210304_200020655725 [0,2,0,0,0,0|2,0,0]=4 8817 B12R1.267 Nc1ccccc1CCOCF 34a_100011215289_100015361967 [0,2,0,0,0,0|2,0,0]=4 8818 B12R1.267 Nc1cccnc1COCC=O 34a_114873767017_200009817547 [0,2,0,0,0,0|2,0,0]=4 8819 B12R1.267 Nc1cccnc1COCCF 34a_114873767017_100011217306 [0,2,0,0,0,0|2,0,0]=4 8820 B12R1.267 Nc1cccnc1COCCO 34a_114873767017_100000211926 [0,2,0,0,0,0|2,0,0]=4 8821 B12R1.267 Nc1cccnc1OCCCF 34a_100000746358_100011934791 [0,2,0,0,0,0|2,0,0]=4 8822 B12R1.267 Nc1cccnc1OCCCO 34a_100000746358_100000230001 [0,2,0,0,0,0|2,0,0]=4 8823 B12R1.267 Nc1cccnc1SCCCF 62a_100000688686_100011934791 [0,2,0,0,0,0|2,0,0]=4 8824 B12R1.267 Nc1cccnc1SCCCF 62a_100011934791_100000688686 [0,2,0,0,0,0|2,0,0]=4 8825 B12R1.267 Nc1cccnc1SCCCO 62a_100000688686_100011215043 [0,2,0,0,0,0|2,0,0]=4 8826 B12R1.267 Nc1cccnc1SCCCO 62a_100011215043_100000688686 [0,2,0,0,0,0|2,0,0]=4 8827 B12R1.267 O=CCNCc1ncccc1Cl 2230a_100015189233_200015260668 [0,2,0,0,0,0|2,0,0]=4 8828 B12R1.267 O=CCNCc1ncccc1F 34a_100000690088_200009817547 [0,2,0,0,0,0|2,0,0]=4 8829 B12R1.267 O=CCOCc1ncccc1Br 34a_100011996772_200009817547 [0,2,0,0,0,0|2,0,0]=4 8830 B12R1.267 O=CCOCc1ncccc1Cl 34a_100012002383_200009817547 [0,2,0,0,0,0|2,0,0]=4 8831 B12R1.267 O=CCOCc1ncccc1F 34a_100011934865_200009817547 [0,2,0,0,0,0|2,0,0]=4 8832 B12R1.267 O=CCSCc1ncccc1Br 62a_100025702911_200015260668 [0,2,0,0,0,0|2,0,0]=4 8833 B12R1.267 O=CCSCc1ncccc1Br 62a_200015260668_100025702911 [0,2,0,0,0,0|2,0,0]=4 8834 B12R1.267 O=CCSCc1ncccc1Cl 62a_100000099807_200015260668 [0,2,0,0,0,0|2,0,0]=4 8835 B12R1.267 O=CCSCc1ncccc1Cl 62a_200015260668_100000099807 [0,2,0,0,0,0|2,0,0]=4 8836 B12R1.267 O=CCSCc1ncccc1F 62a_100000104219_200015260668 [0,2,0,0,0,0|2,0,0]=4 8837 B12R1.267 O=CCSCc1ncccc1F 62a_200015260668_100000104219 [0,2,0,0,0,0|2,0,0]=4 8838 B12R1.267 O=CCSCc1ncccc1O 62a_200015260668_200020655725 [0,2,0,0,0,0|2,0,0]=4 8839 B12R1.267 O=CCSCc1ncccc1O 62a_200020655725_200015260668 [0,2,0,0,0,0|2,0,0]=4 8840 B12R1.267 OCCCCc1ccccc1O 271570a_203496583355_100012092669 [0,2,0,0,0,0|2,0,0]=4 8841 B12R1.267 OCCCNc1ncccc1Br 27a_100000182051_100000696092 [0,2,0,0,0,0|2,0,0]=4 8842 B12R1.267 OCCCOc1ncccc1Cl 34a_100011290957_100000230001 [0,2,0,0,0,0|2,0,0]=4 8843 B12R1.267 OCCCOc1ncccc1F 34a_100011219419_100000230001 [0,2,0,0,0,0|2,0,0]=4 8844 B12R1.267 OCCCSc1ncccc1Br 62a_100000696092_100011215043 [0,2,0,0,0,0|2,0,0]=4 8845 B12R1.267 OCCCSc1ncccc1Br 62a_100011215043_100000696092 [0,2,0,0,0,0|2,0,0]=4 8846 B12R1.267 OCCCSc1ncccc1Cl 62a_100011215043_100011356963 [0,2,0,0,0,0|2,0,0]=4 8847 B12R1.267 OCCCSc1ncccc1Cl 62a_100011356963_100011215043 [0,2,0,0,0,0|2,0,0]=4 8848 B12R1.267 OCCCSc1ncccc1F 62a_100000685392_100011215043 [0,2,0,0,0,0|2,0,0]=4 8849 B12R1.267 OCCCSc1ncccc1F 62a_100011215043_100000685392 [0,2,0,0,0,0|2,0,0]=4 8850 B12R1.267 OCCCSc1ncccc1O 62a_100000034122_100011215043 [0,2,0,0,0,0|2,0,0]=4 8851 B12R1.267 OCCCSc1ncccc1O 62a_100011215043_100000034122 [0,2,0,0,0,0|2,0,0]=4 8852 B12R1.267 OCCNCc1ncccc1Br 207a_100000210304_100011934733 [0,2,0,0,0,0|2,0,0]=4 8853 B12R1.267 OCCNCc1ncccc1Br 2230a_100016997473_100025702911 [0,2,0,0,0,0|2,0,0]=4 8854 B12R1.267 OCCNCc1ncccc1Br 270004a_100000210304_100011934733 [0,2,0,0,0,0|2,0,0]=4 8855 B12R1.267 OCCNCc1ncccc1Br 34a_100016990907_100025702911 [0,2,0,0,0,0|2,0,0]=4 8856 B12R1.267 OCCNCc1ncccc1Cl 207a_100000210304_100012001307 [0,2,0,0,0,0|2,0,0]=4 8857 B12R1.267 OCCNCc1ncccc1Cl 2230a_100015189233_100000211926 [0,2,0,0,0,0|2,0,0]=4 8858 B12R1.267 OCCNCc1ncccc1Cl 2230a_100016997473_100000099807 [0,2,0,0,0,0|2,0,0]=4 8859 B12R1.267 OCCNCc1ncccc1Cl 270004a_100000210304_100012001307 [0,2,0,0,0,0|2,0,0]=4 8860 B12R1.267 OCCNCc1ncccc1F 207a_100000210304_100011934734 [0,2,0,0,0,0|2,0,0]=4 8861 B12R1.267 OCCNCc1ncccc1F 2230a_100016997473_100000104219 [0,2,0,0,0,0|2,0,0]=4 8862 B12R1.267 OCCNCc1ncccc1F 270004a_100000210304_100011934734 [0,2,0,0,0,0|2,0,0]=4 8863 B12R1.267 OCCNCc1ncccc1F 34a_100000690088_100000211926 [0,2,0,0,0,0|2,0,0]=4 8864 B12R1.267 OCCNCc1ncccc1F 34a_100016990907_100000104219 [0,2,0,0,0,0|2,0,0]=4 8865 B12R1.267 OCCNCc1ncccc1O 34a_100016990907_200020655725 [0,2,0,0,0,0|2,0,0]=4 8866 B12R1.267 OCCOCc1ncccc1Br 34a_100011996772_100000211926 [0,2,0,0,0,0|2,0,0]=4 8867 B12R1.267 OCCOCc1ncccc1Cl 34a_100012002383_100000211926 [0,2,0,0,0,0|2,0,0]=4 8868 B12R1.267 OCCOCc1ncccc1F 34a_100011934865_100000211926 [0,2,0,0,0,0|2,0,0]=4 8869 B12R1.267 OCCSCc1ncccc1Br 62a_100000211926_100025702911 [0,2,0,0,0,0|2,0,0]=4 8870 B12R1.267 OCCSCc1ncccc1Br 62a_100025702911_100000211926 [0,2,0,0,0,0|2,0,0]=4 8871 B12R1.267 OCCSCc1ncccc1Cl 62a_100000099807_100000211926 [0,2,0,0,0,0|2,0,0]=4 8872 B12R1.267 OCCSCc1ncccc1Cl 62a_100000211926_100000099807 [0,2,0,0,0,0|2,0,0]=4 8873 B12R1.267 OCCSCc1ncccc1F 62a_100000104219_100000211926 [0,2,0,0,0,0|2,0,0]=4 8874 B12R1.267 OCCSCc1ncccc1F 62a_100000211926_100000104219 [0,2,0,0,0,0|2,0,0]=4 8875 B12R1.267 OCCSCc1ncccc1O 62a_100000211926_200020655725 [0,2,0,0,0,0|2,0,0]=4 8876 B12R1.267 OCCSCc1ncccc1O 62a_200020655725_100000211926 [0,2,0,0,0,0|2,0,0]=4 8877 B12R1.267 Oc1ccccc1CCNCF 34a_100011207237_100015361967 [0,2,0,0,0,0|1,0,0]=3 8878 B12R1.267 Oc1ccccc1CCSCF 62a_100000722297_100015361967 [0,2,0,0,0,0|2,0,0]=4 8879 B12R1.267 Oc1ccccc1CCSCF 62a_100015361967_100000722297 [0,2,0,0,0,0|2,0,0]=4 8880 B12R1.267 Oc1cccnc1CNCCF 34a_100000724931_200020655725 [0,2,0,0,0,0|2,0,0]=4 8881 B12R1.267 Oc1cccnc1COCCBr 34a_100000211926_200020655725 [0,2,0,0,0,0|2,0,0]=4 8882 B12R1.267 Oc1cccnc1CSCCF 62a_100011217306_200020655725 [0,2,0,0,0,0|2,0,0]=4 8883 B12R1.267 Oc1cccnc1CSCCF 62a_200020655725_100011217306 [0,2,0,0,0,0|2,0,0]=4 8884 B12R1.267 Oc1cccnc1SCCCF 62a_100000034122_100011934791 [0,2,0,0,0,0|2,0,0]=4 8885 B12R1.267 Oc1cccnc1SCCCF 62a_100011934791_100000034122 [0,2,0,0,0,0|2,0,0]=4 8886 B12R1.267 [13CH3]NCCCc1ccccc1F 2230a_100000724733_200025704644 [0,2,0,0,0,0|1,0,0]=3 8887 B12R1.267 [13CH3]NCCCc1ccccc1F 34a_100000724733_200025704644 [0,2,0,0,0,0|1,0,0]=3 8888 B12R1.267 [13CH3]NCCOc1ccccc1Br 2230a_100000744007_200025704644 [0,2,0,0,0,0|1,0,0]=3 8889 B12R1.267 [13CH3]NCCOc1ccccc1Br 34a_100000744007_200025704644 [0,2,0,0,0,0|1,0,0]=3 8890 B12R1.267 [13CH3]NCCOc1ccccc1Cl 2230a_100000174932_200025704644 [0,2,0,0,0,0|1,0,0]=3 8891 B12R1.267 [13CH3]NCCOc1ccccc1Cl 34a_100000174932_200025704644 [0,2,0,0,0,0|1,0,0]=3 8892 B12R1.267 [13CH3]NCCOc1ccccc1F 2230a_100000683764_200025704644 [0,2,0,0,0,0|1,0,0]=3 8893 B12R1.267 [13CH3]NCCOc1ccccc1F 34a_100000683764_200025704644 [0,2,0,0,0,0|1,0,0]=3 8894 B12R1.267 [13CH3]OCCCc1ccccc1Br 34a_100000699526_200025704644 [0,2,0,0,0,0|2,0,0]=4 8895 B12R1.267 [13CH3]OCCCc1ccccc1Br 7a_100000699526_200025704644 [0,2,0,0,0,0|2,0,0]=4 8896 B12R1.267 [13CH3]OCCCc1ccccc1Cl 34a_100011709251_200025704644 [0,2,0,0,0,0|2,0,0]=4 8897 B12R1.267 [13CH3]OCCCc1ccccc1Cl 7a_100011709251_200025704644 [0,2,0,0,0,0|2,0,0]=4 8898 B12R1.267 [13CH3]OCCCc1ccccc1F 34a_100011709249_200025704644 [0,2,0,0,0,0|2,0,0]=4 8899 B12R1.267 [13CH3]OCCCc1ccccc1F 7a_100011709249_200025704644 [0,2,0,0,0,0|2,0,0]=4 8900 B12R1.267 [13CH3]OCCNc1ccccc1N 34a_100000683943_200025704644 [0,2,0,0,0,0|2,0,0]=4 8901 B12R1.267 [13CH3]OCCOc1ccccc1Br 34a_100000230753_200025704644 [0,2,0,0,0,0|2,0,0]=4 8902 B12R1.267 [13CH3]OCCOc1ccccc1Br 7a_100000230753_200025704644 [0,2,0,0,0,0|2,0,0]=4 8903 B12R1.267 [13CH3]OCCOc1ccccc1Cl 34a_200000230518_200025704644 [0,2,0,0,0,0|2,0,0]=4 8904 B12R1.267 [13CH3]OCCOc1ccccc1Cl 7a_200000230518_200025704644 [0,2,0,0,0,0|2,0,0]=4 8905 B12R1.267 [13CH3]OCCOc1ccccc1F 34a_100000756447_200025704644 [0,2,0,0,0,0|2,0,0]=4 8906 B12R1.267 [13CH3]OCCOc1ccccc1F 7a_100000756447_200025704644 [0,2,0,0,0,0|2,0,0]=4 8907 B12R1.267 [13CH3]OCCOc1ccccc1N 34a_100132302172_200025704644 [0,2,0,0,0,0|2,0,0]=4 8908 B12R1.267 [13CH3]OCCSc1ccccc1Br 34a_200000230852_200025704644 [0,2,0,0,0,0|2,0,0]=4 8909 B12R1.267 [13CH3]OCCSc1ccccc1Br 7a_200000230852_200025704644 [0,2,0,0,0,0|2,0,0]=4 8910 B12R1.267 [13CH3]OCCSc1ccccc1Cl 34a_200000230572_200025704644 [0,2,0,0,0,0|2,0,0]=4 8911 B12R1.267 [13CH3]OCCSc1ccccc1Cl 7a_200000230572_200025704644 [0,2,0,0,0,0|2,0,0]=4 8912 B12R1.267 [13CH3]OCCSc1ccccc1F 34a_200000230732_200025704644 [0,2,0,0,0,0|2,0,0]=4 8913 B12R1.267 [13CH3]OCCSc1ccccc1F 7a_200000230732_200025704644 [0,2,0,0,0,0|2,0,0]=4 8914 B12R1.267 [13CH3]SCCCc1ccccc1Br 62a_200011713681_200025704644 [0,2,0,0,0,0|2,0,0]=4 8915 B12R1.267 [13CH3]SCCCc1ccccc1Br 62a_200025704644_200011713681 [0,2,0,0,0,0|2,0,0]=4 8916 B12R1.267 [13CH3]SCCOc1ccccc1Br 62a_100000695877_200025704644 [0,2,0,0,0,0|2,0,0]=4 8917 B12R1.267 [13CH3]SCCOc1ccccc1Br 62a_200025704644_100000695877 [0,2,0,0,0,0|2,0,0]=4 8918 B12R1.267 [13CH3]SCCOc1ccccc1F 62a_100000183290_200025704644 [0,2,0,0,0,0|2,0,0]=4 8919 B12R1.267 [13CH3]SCCOc1ccccc1F 62a_200025704644_100000183290 [0,2,0,0,0,0|2,0,0]=4 8920 B12R1.371 CCC(=O)Cc1ncccc1Br 1458a_100000210414_100025702911 [0,2,0,0,0,0|1,0,1]=4 8921 B12R1.371 CCC(=O)Cc1ncccc1Br 1458a_200012357574_100000210202 [0,2,0,0,0,0|1,0,1]=4 8922 B12R1.371 CCC(=O)Cc1ncccc1C 1458a_100000210414_100000696600 [0,2,0,0,0,0|1,0,1]=4 8923 B12R1.371 CCC(=O)Cc1ncccc1C 1458a_200000722269_100000210202 [0,2,0,0,0,0|1,0,1]=4 8924 B12R1.371 CCC(=O)Cc1ncccc1Cl 1458a_100000210414_100000099807 [0,2,0,0,0,0|1,0,1]=4 8925 B12R1.371 CCC(=O)Cc1ncccc1Cl 1458a_100011998755_100000210202 [0,2,0,0,0,0|1,0,1]=4 8926 B12R1.371 CCC(=O)Cc1ncccc1F 1458a_100000210414_100000104219 [0,2,0,0,0,0|1,0,1]=4 8927 B12R1.371 CCC(=O)Cc1ncccc1O 1458a_100000210414_200020655725 [0,2,0,0,0,0|1,0,1]=4 8928 B12R1.371 CCC(C)Oc1ncccc1Cl 34a_100011290957_100011215416 [0,2,0,0,0,0|2,0,0]=4 8929 B12R1.371 CCC(C)Oc1ncccc1F 34a_100011219419_100011215416 [0,2,0,0,0,0|2,0,0]=4 8930 B12R1.371 CCC(C)Oc1ncccc1N 34a_100000746358_100011215416 [0,2,0,0,0,0|2,0,0]=4 8931 B12R1.371 CCC(C)Sc1ncccc1Br 62a_100000696092_100000758301 [0,2,0,0,0,0|2,0,0]=4 8932 B12R1.371 CCC(C)Sc1ncccc1Br 62a_100000758301_100000696092 [0,2,0,0,0,0|2,0,0]=4 8933 B12R1.371 CCC(C)Sc1ncccc1C 62a_100000751373_100000758301 [0,2,0,0,0,0|2,0,0]=4 8934 B12R1.371 CCC(C)Sc1ncccc1C 62a_100000758301_100000751373 [0,2,0,0,0,0|2,0,0]=4 8935 B12R1.371 CCC(C)Sc1ncccc1Cl 62a_100000758301_100011356963 [0,2,0,0,0,0|2,0,0]=4 8936 B12R1.371 CCC(C)Sc1ncccc1Cl 62a_100011356963_100000758301 [0,2,0,0,0,0|2,0,0]=4 8937 B12R1.371 CCC(C)Sc1ncccc1F 62a_100000685392_100000758301 [0,2,0,0,0,0|2,0,0]=4 8938 B12R1.371 CCC(C)Sc1ncccc1F 62a_100000758301_100000685392 [0,2,0,0,0,0|2,0,0]=4 8939 B12R1.371 CCC(C)Sc1ncccc1N 62a_100000688686_100000758301 [0,2,0,0,0,0|2,0,0]=4 8940 B12R1.371 CCC(C)Sc1ncccc1N 62a_100000758301_100000688686 [0,2,0,0,0,0|2,0,0]=4 8941 B12R1.371 CCC(C)Sc1ncccc1O 62a_100000034122_100000758301 [0,2,0,0,0,0|2,0,0]=4 8942 B12R1.371 CCC(C)Sc1ncccc1O 62a_100000758301_100000034122 [0,2,0,0,0,0|2,0,0]=4 8943 B12R1.371 CCN(C)Cc1ncccc1Br 2230a_100000225621_100025702911 [0,2,0,0,0,0|2,0,0]=4 8944 B12R1.371 CCN(C)Cc1ncccc1C 2230a_100000225621_100000696600 [0,2,0,0,0,0|2,0,0]=4 8945 B12R1.371 CCN(C)Cc1ncccc1C 269982a_100000225621_100000696600 [0,2,0,0,0,0|2,0,0]=4 8946 B12R1.371 CCN(C)Cc1ncccc1Cl 2230a_100000225621_100000099807 [0,2,0,0,0,0|2,0,0]=4 8947 B12R1.371 CCN(C)Cc1ncccc1Cl 269982a_100000225621_100000099807 [0,2,0,0,0,0|2,0,0]=4 8948 B12R1.371 CCN(C)Cc1ncccc1F 2230a_100000225621_100000104219 [0,2,0,0,0,0|2,0,0]=4 8949 B12R1.371 CCN(C)Cc1ncccc1F 269982a_100000225621_100000104219 [0,2,0,0,0,0|2,0,0]=4 8950 B12R1.371 CNC(=O)Cc1ccccc1Br 11a_106832991635_100000751119 [0,2,0,0,0,0|1,0,1]=4 8951 B12R1.371 CNC(=O)Cc1ccccc1Br 240690a_100102657272_100000751119 [0,2,0,0,0,0|1,0,1]=4 8952 B12R1.371 CNC(=O)Cc1ccccc1Br 527a_100102657272_100000751119 [0,2,0,0,0,0|1,0,1]=4 8953 B12R1.371 CNC(=O)Cc1ccccc1C 11a_106832991635_100000212180 [0,2,0,0,0,0|1,0,1]=4 8954 B12R1.371 CNC(=O)Cc1ccccc1C 1626a_100102657272_100000212180 [0,2,0,0,0,0|1,0,1]=4 8955 B12R1.371 CNC(=O)Cc1ccccc1C 240690a_100102657272_100000212180 [0,2,0,0,0,0|1,0,1]=4 8956 B12R1.371 CNC(=O)Cc1ccccc1C 527a_100102657272_100000212180 [0,2,0,0,0,0|1,0,1]=4 8957 B12R1.371 CNC(=O)Cc1ccccc1Cl 11a_106832991635_100000183793 [0,2,0,0,0,0|1,0,1]=4 8958 B12R1.371 CNC(=O)Cc1ccccc1Cl 1626a_100102657272_100000183793 [0,2,0,0,0,0|1,0,1]=4 8959 B12R1.371 CNC(=O)Cc1ccccc1Cl 240690a_100102657272_100000183793 [0,2,0,0,0,0|1,0,1]=4 8960 B12R1.371 CNC(=O)Cc1ccccc1Cl 527a_100102657272_100000183793 [0,2,0,0,0,0|1,0,1]=4 8961 B12R1.371 CNC(=O)Cc1ccccc1F 11a_106832991635_100000212012 [0,2,0,0,0,0|1,0,1]=4 8962 B12R1.371 CNC(=O)Cc1ccccc1F 1626a_100102657272_100000212012 [0,2,0,0,0,0|1,0,1]=4 8963 B12R1.371 CNC(=O)Cc1ccccc1F 240690a_100102657272_100000212012 [0,2,0,0,0,0|1,0,1]=4 8964 B12R1.371 CNC(=O)Cc1ccccc1F 527a_100102657272_100000212012 [0,2,0,0,0,0|1,0,1]=4 8965 B12R1.371 CNC(=O)Cc1ccccc1I 11a_106832991635_100000036491 [0,2,0,0,0,0|1,0,1]=4 8966 B12R1.371 CNC(=O)Cc1ccccc1I 1626a_100102657272_100000036491 [0,2,0,0,0,0|1,0,1]=4 8967 B12R1.371 CNC(=O)Cc1ccccc1I 240690a_100102657272_100000036491 [0,2,0,0,0,0|1,0,1]=4 8968 B12R1.371 CNC(=O)Cc1ccccc1I 527a_100102657272_100000036491 [0,2,0,0,0,0|1,0,1]=4 8969 B12R1.371 CNC(=O)Cc1ccccc1O 240690a_100102657272_100000743006 [0,2,0,0,0,0|1,0,1]=4 8970 B12R1.371 CNC(=O)Cc1ccccc1O 271570a_203496583355_200009816160 [0,2,0,0,0,0|1,0,1]=4 8971 B12R1.371 CNC(=O)Cc1ccccc1O 527a_100102657272_100000743006 [0,2,0,0,0,0|1,0,1]=4 8972 B12R1.371 CNC(=O)Cc1ncccc1Br 11a_106832991635_200012357574 [0,2,0,0,0,0|0,0,1]=3 8973 B12R1.371 CNC(=O)Cc1ncccc1Br 240690a_100102657272_200012357574 [0,2,0,0,0,0|0,0,1]=3 8974 B12R1.371 CNC(=O)Cc1ncccc1C 11a_106832991635_200000722269 [0,2,0,0,0,0|0,0,1]=3 8975 B12R1.371 CNC(=O)Cc1ncccc1C 1626a_100102657272_200000722269 [0,2,0,0,0,0|0,0,1]=3 8976 B12R1.371 CNC(=O)Cc1ncccc1C 240690a_100102657272_200000722269 [0,2,0,0,0,0|0,0,1]=3 8977 B12R1.371 CNC(=O)Cc1ncccc1Cl 11a_106832991635_100011998755 [0,2,0,0,0,0|0,0,1]=3 8978 B12R1.371 CNC(=O)Cc1ncccc1Cl 240690a_100102657272_100011998755 [0,2,0,0,0,0|0,0,1]=3 8979 B12R1.371 CNC(=O)Cc1ncccc1Cl 527a_100102657272_100011998755 [0,2,0,0,0,0|0,0,1]=3 8980 B12R1.371 CNC(=O)Cn1ncccc1=O 11a_106832991635_100000238584 [0,2,0,0,0,0|1,0,1]=4 8981 B12R1.371 CNC(=O)Cn1ncccc1=O 1626a_100102657272_100000238584 [0,2,0,0,0,0|1,0,1]=4 8982 B12R1.371 CNC(=O)Cn1ncccc1=O 240690a_100102657272_100000238584 [0,2,0,0,0,0|1,0,1]=4 8983 B12R1.371 CNC(=O)Cn1ncccc1=O 527a_100102657272_100000238584 [0,2,0,0,0,0|1,0,1]=4 8984 B12R1.371 CNC(C)Cc1ccccc1Br 270004a_106832991635_100011350739 [0,2,0,0,0,0|1,0,0]=3 8985 B12R1.371 CNC(C)Cc1ccccc1C 270004a_106832991635_200000764500 [0,2,0,0,0,0|1,0,0]=3 8986 B12R1.371 CNC(C)Cc1ccccc1Cl 270004a_106832991635_100000758791 [0,2,0,0,0,0|1,0,0]=3 8987 B12R1.371 CNC(C)Cc1ccccc1F 270004a_106832991635_100000709178 [0,2,0,0,0,0|1,0,0]=3 8988 B12R1.371 CNC(C)Cc1ncccc1C 270004a_106832991635_100011823981 [0,2,0,0,0,0|0,0,0]=2 8989 B12R1.371 COC(=O)Cc1ncccc1O 271570a_203496583355_100012347948 [0,2,0,0,0,0|1,0,1]=4 8990 B12R1.371 COC(C)Sc1ncccc1Br 62a_100000696092_100009879195 [0,2,0,0,0,0|2,0,0]=4 8991 B12R1.371 COC(C)Sc1ncccc1Br 62a_100009879195_100000696092 [0,2,0,0,0,0|2,0,0]=4 8992 B12R1.371 COC(C)Sc1ncccc1C 62a_100000751373_100009879195 [0,2,0,0,0,0|2,0,0]=4 8993 B12R1.371 COC(C)Sc1ncccc1C 62a_100009879195_100000751373 [0,2,0,0,0,0|2,0,0]=4 8994 B12R1.371 COC(C)Sc1ncccc1Cl 62a_100009879195_100011356963 [0,2,0,0,0,0|2,0,0]=4 8995 B12R1.371 COC(C)Sc1ncccc1Cl 62a_100011356963_100009879195 [0,2,0,0,0,0|2,0,0]=4 8996 B12R1.371 COC(C)Sc1ncccc1F 62a_100000685392_100009879195 [0,2,0,0,0,0|2,0,0]=4 8997 B12R1.371 COC(C)Sc1ncccc1F 62a_100009879195_100000685392 [0,2,0,0,0,0|2,0,0]=4 8998 B12R1.371 COC(C)Sc1ncccc1N 62a_100000688686_100009879195 [0,2,0,0,0,0|2,0,0]=4 8999 B12R1.371 COC(C)Sc1ncccc1N 62a_100009879195_100000688686 [0,2,0,0,0,0|2,0,0]=4 9000 B12R1.371 COC(C)Sc1ncccc1O 62a_100000034122_100009879195 [0,2,0,0,0,0|2,0,0]=4 9001 B12R1.371 COC(C)Sc1ncccc1O 62a_100009879195_100000034122 [0,2,0,0,0,0|2,0,0]=4 9002 B12R1.374 CCCCc1cc(ccc1Br)Br 271570a_100020621405_100011483371 [0,2,0,0,0,0|2,0,0]=4 9003 B12R1.374 CCCCc1cc(ccc1Br)C 271570a_100020621405_100012353751 [0,2,0,0,0,0|2,0,0]=4 9004 B12R1.374 CCCCc1cc(ccc1Br)Cl 271570a_100020621405_100012339723 [0,2,0,0,0,0|2,0,0]=4 9005 B12R1.374 CCCCc1cc(ccc1Br)F 271570a_100020621405_100011217576 [0,2,0,0,0,0|2,0,0]=4 9006 B12R1.374 CCCCc1cc(ccc1Br)N 271570a_100020621405_100000750459 [0,2,0,0,0,0|2,0,0]=4 9007 B12R1.374 CCCCc1cc(ccc1Br)O 271570a_100020621405_100012339312 [0,2,0,0,0,0|2,0,0]=4 9008 B12R1.374 CCCCc1cc(ccc1C)Br 271570a_100020621405_100011344865 [0,2,0,0,0,0|2,0,0]=4 9009 B12R1.374 CCCCc1cc(ccc1C)C 271570a_100020621405_100000210833 [0,2,0,0,0,0|2,0,0]=4 9010 B12R1.374 CCCCc1cc(ccc1C)Cl 271570a_100020621405_100011263213 [0,2,0,0,0,0|2,0,0]=4 9011 B12R1.374 CCCCc1cc(ccc1C)F 271570a_100020621405_100011218078 [0,2,0,0,0,0|2,0,0]=4 9012 B12R1.374 CCCCc1cc(ccc1C)N 271570a_100020621405_100000736455 [0,2,0,0,0,0|2,0,0]=4 9013 B12R1.374 CCCCc1cc(ccc1C)O 271570a_100020621405_100011380479 [0,2,0,0,0,0|2,0,0]=4 9014 B12R1.374 CCCCc1cc(ccc1Cl)Br 271570a_100020621405_100011772130 [0,2,0,0,0,0|2,0,0]=4 9015 B12R1.374 CCCCc1cc(ccc1Cl)C 271570a_100020621405_100012356289 [0,2,0,0,0,0|2,0,0]=4 9016 B12R1.374 CCCCc1cc(ccc1Cl)Cl 271570a_100020621405_100000707729 [0,2,0,0,0,0|2,0,0]=4 9017 B12R1.374 CCCCc1cc(ccc1Cl)F 271570a_100020621405_100011217299 [0,2,0,0,0,0|2,0,0]=4 9018 B12R1.374 CCCCc1cc(ccc1Cl)N 271570a_100020621405_100012360549 [0,2,0,0,0,0|2,0,0]=4 9019 B12R1.374 CCCCc1cc(ccc1Cl)O 271570a_100020621405_100000049588 [0,2,0,0,0,0|2,0,0]=4 9020 B12R1.374 CCCCc1cc(ccc1F)Br 271570a_100020621405_100011217312 [0,2,0,0,0,0|2,0,0]=4 9021 B12R1.374 CCCCc1cc(ccc1F)C 271570a_100020621405_100000736223 [0,2,0,0,0,0|2,0,0]=4 9022 B12R1.374 CCCCc1cc(ccc1F)Cl 271570a_100020621405_100011218116 [0,2,0,0,0,0|2,0,0]=4 9023 B12R1.374 CCCCc1cc(ccc1F)F 271570a_100020621405_100000750033 [0,2,0,0,0,0|2,0,0]=4 9024 B12R1.374 CCCCc1cc(ccc1F)N 271570a_100020621405_100000760356 [0,2,0,0,0,0|2,0,0]=4 9025 B12R1.374 CCCCc1cc(ccc1F)O 271570a_100020621405_100000693481 [0,2,0,0,0,0|2,0,0]=4 9026 B12R1.374 CCCCc1cc(ccc1N)Br 271570a_100020621405_100000187925 [0,2,0,0,0,0|2,0,0]=4 9027 B12R1.374 CCCCc1cc(ccc1N)C 271570a_100020621405_100000210942 [0,2,0,0,0,0|2,0,0]=4 9028 B12R1.374 CCCCc1cc(ccc1N)Cl 271570a_100020621405_100000761889 [0,2,0,0,0,0|2,0,0]=4 9029 B12R1.374 CCCCc1cc(ccc1N)F 271570a_100020621405_100000760547 [0,2,0,0,0,0|2,0,0]=4 9030 B12R1.374 CCCCc1cc(ccc1N)N 271570a_100020621405_100011534242 [0,2,0,0,0,0|2,0,0]=4 9031 B12R1.374 CCCCc1cc(ccc1N)O 271570a_100020621405_100012001276 [0,2,0,0,0,0|2,0,0]=4 9032 B12R1.374 CCCCc1cc(ccc1O)Br 271570a_100020621405_100012355227 [0,2,0,0,0,0|2,0,0]=4 9033 B12R1.374 CCCCc1cc(ccc1O)C 271570a_100020621405_100000765521 [0,2,0,0,0,0|2,0,0]=4 9034 B12R1.374 CCCCc1cc(ccc1O)Cl 271570a_100020621405_100011356953 [0,2,0,0,0,0|2,0,0]=4 9035 B12R1.374 CCCCc1cc(ccc1O)F 271570a_100020621405_100000211999 [0,2,0,0,0,0|2,0,0]=4 9036 B12R1.374 CCCCc1cc(ccc1O)N 271570a_100020621405_100011534360 [0,2,0,0,0,0|2,0,0]=4 9037 B12R1.374 CCCCc1cc(ccc1O)O 271570a_100020621405_100009813629 [0,2,0,0,0,0|2,0,0]=4 9038 B12R1.374 CCCCc1nc(c[nH]c1=O)C 271570a_100020621405_100009858157 [0,2,0,0,0,0|2,0,0]=4 9039 B12R1.374 CCCCc1nc(ccc1Br)N 271570a_100020621405_100010192275 [0,2,0,0,0,0|1,0,0]=3 9040 B12R1.374 CCCCc1nc(ccc1C)C 271570a_100020621405_100009854376 [0,2,0,0,0,0|1,0,0]=3 9041 B12R1.374 CCCCc1nc(ccc1C)N 271570a_100020621405_100000126722 [0,2,0,0,0,0|1,0,0]=3 9042 B12R1.374 CCCCc1nc(ccc1F)C 271570a_100020621405_100009817602 [0,2,0,0,0,0|1,0,0]=3 9043 B12R1.374 CCCCc1nc(ccc1F)Cl 271570a_100020621405_100010136221 [0,2,0,0,0,0|1,0,0]=3 9044 B12R1.374 CCCCc1nc(ccc1F)F 271570a_100020621405_100010997973 [0,2,0,0,0,0|1,0,0]=3 9045 B12R1.374 CCCCc1nc(ccc1F)N 271570a_100020621405_100010892222 [0,2,0,0,0,0|1,0,0]=3 9046 B12R1.374 CCCCc1nc(ccc1N)Br 271570a_100020621405_100010168765 [0,2,0,0,0,0|1,0,0]=3 9047 B12R1.374 CCCCc1nc(ccc1N)C 271570a_100020621405_100000685570 [0,2,0,0,0,0|1,0,0]=3 9048 B12R1.374 CCCCc1nc(ccc1N)Cl 271570a_100020621405_100010233647 [0,2,0,0,0,0|1,0,0]=3 9049 B12R1.374 CCCCc1nc(ccc1N)F 271570a_100020621405_100009879877 [0,2,0,0,0,0|1,0,0]=3 9050 B12R1.374 CCCCc1nc(ccc1N)N 271570a_100020621405_200009884323 [0,2,0,0,0,0|1,0,0]=3 9051 B12R1.374 CCCCc1nc(ccc1O)Br 271570a_100020621405_100010253912 [0,2,0,0,0,0|1,0,0]=3 9052 B12R1.374 CCCCc1nc(ccc1O)C 271570a_100020621405_100000702858 [0,2,0,0,0,0|1,0,0]=3 9053 B12R1.374 CCCCc1nc(ccc1O)Cl 271570a_100020621405_100000696390 [0,2,0,0,0,0|1,0,0]=3 9054 B12R1.374 CCCCc1nc(ccc1O)F 271570a_100020621405_100010382442 [0,2,0,0,0,0|1,0,0]=3 9055 B12R1.374 CCCCc1nc(cnc1C)C 271570a_100020621405_100000211308 [0,2,0,0,0,0|2,0,0]=4 9056 B12R1.374 CCCCc1nc(cnc1C)N 271570a_100020621405_100009877824 [0,2,0,0,0,0|2,0,0]=4 9057 B12R1.374 CCCCc1nc(cnc1N)Br 271570a_100020621405_100010988662 [0,2,0,0,0,0|2,0,0]=4 9058 B12R1.374 CCCCc1nc(cnc1N)C 271570a_100020621405_100009819049 [0,2,0,0,0,0|2,0,0]=4 9059 B12R1.374 CCCCc1nc(ncc1C)N 271570a_100020621405_100000016107 [0,2,0,0,0,0|2,0,0]=4 9060 B12R1.374 CCCCc1nc(ncc1F)C 271570a_100020621405_100000059819 [0,2,0,0,0,0|2,0,0]=4 9061 B12R1.374 CCCCc1nc(ncc1F)N 271570a_100020621405_200000093006 [0,2,0,0,0,0|2,0,0]=4 9062 B12R1.374 CCCCc1nc(ncc1N)C 271570a_100020621405_100009873743 [0,2,0,0,0,0|2,0,0]=4 9063 B12R1.374 CCCOc1nc(ccc1Br)C 34a_100009817604_100000210303 [0,2,0,0,0,0|2,0,0]=4 9064 B12R1.374 CCCOc1nc(ccc1F)Cl 34a_100010729010_100000210303 [0,2,0,0,0,0|2,0,0]=4 9065 B12R1.374 CCCOc1nc(ccc1N)C 34a_100000687486_100000210303 [0,2,0,0,0,0|2,0,0]=4 9066 B12R1.374 CCCSc1nc(ccc1Br)N 62a_100000210303_100010192275 [0,2,0,0,0,0|2,0,0]=4 9067 B12R1.374 CCCSc1nc(ccc1Br)N 62a_100010192275_100000210303 [0,2,0,0,0,0|2,0,0]=4 9068 B12R1.374 CCCSc1nc(ccc1C)C 62a_100000210303_100009854376 [0,2,0,0,0,0|2,0,0]=4 9069 B12R1.374 CCCSc1nc(ccc1C)C 62a_100009854376_100000210303 [0,2,0,0,0,0|2,0,0]=4 9070 B12R1.374 CCCSc1nc(ccc1C)N 62a_100000126722_100000210303 [0,2,0,0,0,0|2,0,0]=4 9071 B12R1.374 CCCSc1nc(ccc1C)N 62a_100000210303_100000126722 [0,2,0,0,0,0|2,0,0]=4 9072 B12R1.374 CCCSc1nc(ccc1F)C 62a_100000210303_100009817602 [0,2,0,0,0,0|2,0,0]=4 9073 B12R1.374 CCCSc1nc(ccc1F)C 62a_100009817602_100000210303 [0,2,0,0,0,0|2,0,0]=4 9074 B12R1.374 CCCSc1nc(ccc1F)Cl 62a_100000210303_100010136221 [0,2,0,0,0,0|2,0,0]=4 9075 B12R1.374 CCCSc1nc(ccc1F)Cl 62a_100010136221_100000210303 [0,2,0,0,0,0|2,0,0]=4 9076 B12R1.374 CCCSc1nc(ccc1F)F 62a_100000210303_100010997973 [0,2,0,0,0,0|2,0,0]=4 9077 B12R1.374 CCCSc1nc(ccc1F)F 62a_100010997973_100000210303 [0,2,0,0,0,0|2,0,0]=4 9078 B12R1.374 CCCSc1nc(ccc1F)N 62a_100000210303_100010892222 [0,2,0,0,0,0|2,0,0]=4 9079 B12R1.374 CCCSc1nc(ccc1F)N 62a_100010892222_100000210303 [0,2,0,0,0,0|2,0,0]=4 9080 B12R1.374 CCCSc1nc(ccc1N)Br 62a_100000210303_100010168765 [0,2,0,0,0,0|2,0,0]=4 9081 B12R1.374 CCCSc1nc(ccc1N)Br 62a_100010168765_100000210303 [0,2,0,0,0,0|2,0,0]=4 9082 B12R1.374 CCCSc1nc(ccc1N)C 62a_100000210303_100000685570 [0,2,0,0,0,0|2,0,0]=4 9083 B12R1.374 CCCSc1nc(ccc1N)C 62a_100000685570_100000210303 [0,2,0,0,0,0|2,0,0]=4 9084 B12R1.374 CCCSc1nc(ccc1N)Cl 62a_100000210303_100010233647 [0,2,0,0,0,0|2,0,0]=4 9085 B12R1.374 CCCSc1nc(ccc1N)Cl 62a_100010233647_100000210303 [0,2,0,0,0,0|2,0,0]=4 9086 B12R1.374 CCCSc1nc(ccc1N)F 62a_100000210303_100009879877 [0,2,0,0,0,0|2,0,0]=4 9087 B12R1.374 CCCSc1nc(ccc1N)F 62a_100009879877_100000210303 [0,2,0,0,0,0|2,0,0]=4 9088 B12R1.374 CCCSc1nc(ccc1N)N 62a_100000210303_200009884323 [0,2,0,0,0,0|2,0,0]=4 9089 B12R1.374 CCCSc1nc(ccc1N)N 62a_200009884323_100000210303 [0,2,0,0,0,0|2,0,0]=4 9090 B12R1.374 CCCSc1nc(ccc1O)Br 62a_100000210303_100010253912 [0,2,0,0,0,0|2,0,0]=4 9091 B12R1.374 CCCSc1nc(ccc1O)Br 62a_100010253912_100000210303 [0,2,0,0,0,0|2,0,0]=4 9092 B12R1.374 CCCSc1nc(ccc1O)C 62a_100000210303_100000702858 [0,2,0,0,0,0|2,0,0]=4 9093 B12R1.374 CCCSc1nc(ccc1O)C 62a_100000702858_100000210303 [0,2,0,0,0,0|2,0,0]=4 9094 B12R1.374 CCCSc1nc(ccc1O)Cl 62a_100000210303_100000696390 [0,2,0,0,0,0|2,0,0]=4 9095 B12R1.374 CCCSc1nc(ccc1O)F 62a_100000210303_100010382442 [0,2,0,0,0,0|2,0,0]=4 9096 B12R1.374 CCCSc1nc(ccc1O)F 62a_100010382442_100000210303 [0,2,0,0,0,0|2,0,0]=4 9097 B12R1.374 CCNCc1nc(ccc1Br)C 207a_100015525214_100010173661 [0,2,0,0,0,0|2,0,0]=4 9098 B12R1.374 CCNCc1nc(ccc1Br)C 270004a_100015525214_100010173661 [0,2,0,0,0,0|2,0,0]=4 9099 B12R1.374 CCNCc1nc(ccc1Br)Cl 270004a_100015525214_100000734296 [0,2,0,0,0,0|2,0,0]=4 9100 B12R1.374 CCNCc1nc(ccc1Cl)C 2230a_100015525214_200009852033 [0,2,0,0,0,0|2,0,0]=4 9101 B12R1.374 CCNCc1nc(ccc1Cl)Cl 2230a_100015525214_100000059412 [0,2,0,0,0,0|2,0,0]=4 9102 B12R1.374 CCNCc1nc(ccc1Cl)Cl 270004a_100015525214_100011935248 [0,2,0,0,0,0|2,0,0]=4 9103 B12R1.374 CCNCc1nc(ccc1F)Br 2230a_100015525214_100010065826 [0,2,0,0,0,0|2,0,0]=4 9104 B12R1.374 CCNCc1nc(ccc1F)Br 270004a_100015525214_100009814804 [0,2,0,0,0,0|2,0,0]=4 9105 B12R1.374 CCNCc1nc(ccc1F)Cl 2230a_100009887702_100000210202 [0,2,0,0,0,0|2,0,0]=4 9106 B12R1.374 CCNCc1nc(ccc1F)Cl 2230a_100015525214_100009881012 [0,2,0,0,0,0|2,0,0]=4 9107 B12R1.374 CCNCc1nc(ccc1F)Cl 270004a_100015525214_100000050918 [0,2,0,0,0,0|2,0,0]=4 9108 B12R1.374 CCNCc1nc(ccc1F)Cl 34a_100009887702_100000210202 [0,2,0,0,0,0|2,0,0]=4 9109 B12R1.374 CCNCc1nc(ccc1O)C 2230a_100015525214_100020630696 [0,2,0,0,0,0|2,0,0]=4 9110 B12R1.374 CCOCc1nc(ccc1Br)Br 34a_200010065229_100000210202 [0,2,0,0,0,0|2,0,0]=4 9111 B12R1.374 CCOCc1nc(ccc1Br)Br 7a_200010065229_100000210202 [0,2,0,0,0,0|2,0,0]=4 9112 B12R1.374 CCOCc1nc(ccc1Br)C 34a_100010074375_100000210202 [0,2,0,0,0,0|2,0,0]=4 9113 B12R1.374 CCOCc1nc(ccc1Br)Cl 34a_100010244999_100000210202 [0,2,0,0,0,0|2,0,0]=4 9114 B12R1.374 CCOCc1nc(ccc1Br)F 34a_100000701195_100000210202 [0,2,0,0,0,0|2,0,0]=4 9115 B12R1.374 CCOCc1nc(ccc1Cl)C 34a_100121572206_200009852033 [0,2,0,0,0,0|2,0,0]=4 9116 B12R1.374 CCOCc1nc(ccc1Cl)Cl 34a_100000749784_100000210202 [0,2,0,0,0,0|2,0,0]=4 9117 B12R1.374 CCOCc1nc(ccc1Cl)Cl 34a_100121572206_100000059412 [0,2,0,0,0,0|2,0,0]=4 9118 B12R1.374 CCOCc1nc(ccc1F)Br 34a_100121572206_100010065826 [0,2,0,0,0,0|2,0,0]=4 9119 B12R1.374 CCOCc1nc(ccc1F)Cl 34a_100121572206_100009881012 [0,2,0,0,0,0|2,0,0]=4 9120 B12R1.374 CCOCc1nc(ccc1O)C 34a_100121572206_100020630696 [0,2,0,0,0,0|2,0,0]=4 9121 B12R1.374 CCSCc1nc(ccc1Cl)C 62a_100000210202_200009852033 [0,2,0,0,0,0|2,0,0]=4 9122 B12R1.374 CCSCc1nc(ccc1Cl)C 62a_200009852033_100000210202 [0,2,0,0,0,0|2,0,0]=4 9123 B12R1.374 CCSCc1nc(ccc1Cl)Cl 62a_100000059412_100000210202 [0,2,0,0,0,0|2,0,0]=4 9124 B12R1.374 CCSCc1nc(ccc1Cl)Cl 62a_100000210202_100000059412 [0,2,0,0,0,0|2,0,0]=4 9125 B12R1.374 CCSCc1nc(ccc1F)Br 62a_100000210202_100010065826 [0,2,0,0,0,0|2,0,0]=4 9126 B12R1.374 CCSCc1nc(ccc1F)Br 62a_100010065826_100000210202 [0,2,0,0,0,0|2,0,0]=4 9127 B12R1.374 CCSCc1nc(ccc1F)Cl 62a_100000210202_100009881012 [0,2,0,0,0,0|2,0,0]=4 9128 B12R1.374 CCSCc1nc(ccc1F)Cl 62a_100009881012_100000210202 [0,2,0,0,0,0|2,0,0]=4 9129 B12R1.374 CCSCc1nc(ccc1O)C 62a_100000210202_100020630696 [0,2,0,0,0,0|2,0,0]=4 9130 B12R1.374 CCSCc1nc(ccc1O)C 62a_100020630696_100000210202 [0,2,0,0,0,0|2,0,0]=4 9131 B12R1.374 CNCCc1cc(ccc1C)C 2230a_200011485678_200000210301 [0,2,0,0,0,0|1,0,0]=3 9132 B12R1.374 CNCCc1cc(ccc1C)C 34a_200011485678_200000210301 [0,2,0,0,0,0|1,0,0]=3 9133 B12R1.374 CNCCc1cc(ccc1Cl)Cl 2230a_100000705354_200000210301 [0,2,0,0,0,0|1,0,0]=3 9134 B12R1.374 CNCCc1cc(ccc1Cl)Cl 34a_100000705354_200000210301 [0,2,0,0,0,0|1,0,0]=3 9135 B12R1.374 CNCCc1cc(ccc1F)Cl 2230a_200011997525_200000210301 [0,2,0,0,0,0|1,0,0]=3 9136 B12R1.374 CNCCc1cc(ccc1F)Cl 34a_200011997525_200000210301 [0,2,0,0,0,0|1,0,0]=3 9137 B12R1.374 CNCCc1cc(ccc1F)F 2230a_106832991635_100011755056 [0,2,0,0,0,0|1,0,0]=3 9138 B12R1.374 CNCCc1cc(ccc1F)F 34a_100102657272_100011755056 [0,2,0,0,0,0|1,0,0]=3 9139 B12R1.374 CNCCc1cc(ccc1F)F 7a_106832991635_100011755056 [0,2,0,0,0,0|1,0,0]=3 9140 B12R1.374 CNCCn1[nH]c(=O)ccc1=O 2230a_100015186976_200000210301 [0,2,0,0,0,0|1,0,1]=4 9141 B12R1.374 COCCc1cc(ccc1Br)Cl 34a_100012426913_200000210301 [0,2,0,0,0,0|2,0,0]=4 9142 B12R1.374 COCCc1cc(ccc1Br)Cl 7a_100012426913_200000210301 [0,2,0,0,0,0|2,0,0]=4 9143 B12R1.374 COCCc1cc(ccc1C)C 34a_100011694955_200000210301 [0,2,0,0,0,0|2,0,0]=4 9144 B12R1.374 COCCc1cc(ccc1C)C 7a_100011694955_200000210301 [0,2,0,0,0,0|2,0,0]=4 9145 B12R1.374 COCCc1cc(ccc1Cl)Cl 34a_100011754359_200000210301 [0,2,0,0,0,0|2,0,0]=4 9146 B12R1.374 COCCc1cc(ccc1Cl)Cl 7a_100011754359_200000210301 [0,2,0,0,0,0|2,0,0]=4 9147 B12R1.374 COCCc1cc(ccc1F)F 34a_100011755048_200000210301 [0,2,0,0,0,0|2,0,0]=4 9148 B12R1.374 COCCc1cc(ccc1F)F 34a_100138415774_100011755056 [0,2,0,0,0,0|2,0,0]=4 9149 B12R1.374 COCCc1cc(ccc1F)F 7a_100011755048_200000210301 [0,2,0,0,0,0|2,0,0]=4 9150 B12R1.374 COCSc1nc(ccc1Br)N 62a_100000766300_100010192275 [0,2,0,0,0,0|2,0,0]=4 9151 B12R1.374 COCSc1nc(ccc1Br)N 62a_100010192275_100000766300 [0,2,0,0,0,0|2,0,0]=4 9152 B12R1.374 COCSc1nc(ccc1C)C 62a_100000766300_100009854376 [0,2,0,0,0,0|2,0,0]=4 9153 B12R1.374 COCSc1nc(ccc1C)C 62a_100009854376_100000766300 [0,2,0,0,0,0|2,0,0]=4 9154 B12R1.374 COCSc1nc(ccc1C)N 62a_100000126722_100000766300 [0,2,0,0,0,0|2,0,0]=4 9155 B12R1.374 COCSc1nc(ccc1C)N 62a_100000766300_100000126722 [0,2,0,0,0,0|2,0,0]=4 9156 B12R1.374 COCSc1nc(ccc1F)C 62a_100000766300_100009817602 [0,2,0,0,0,0|2,0,0]=4 9157 B12R1.374 COCSc1nc(ccc1F)C 62a_100009817602_100000766300 [0,2,0,0,0,0|2,0,0]=4 9158 B12R1.374 COCSc1nc(ccc1F)Cl 62a_100000766300_100010136221 [0,2,0,0,0,0|2,0,0]=4 9159 B12R1.374 COCSc1nc(ccc1F)Cl 62a_100010136221_100000766300 [0,2,0,0,0,0|2,0,0]=4 9160 B12R1.374 COCSc1nc(ccc1F)F 62a_100000766300_100010997973 [0,2,0,0,0,0|2,0,0]=4 9161 B12R1.374 COCSc1nc(ccc1F)F 62a_100010997973_100000766300 [0,2,0,0,0,0|2,0,0]=4 9162 B12R1.374 COCSc1nc(ccc1F)N 62a_100000766300_100010892222 [0,2,0,0,0,0|2,0,0]=4 9163 B12R1.374 COCSc1nc(ccc1F)N 62a_100010892222_100000766300 [0,2,0,0,0,0|2,0,0]=4 9164 B12R1.374 COCSc1nc(ccc1N)Br 62a_100000766300_100010168765 [0,2,0,0,0,0|2,0,0]=4 9165 B12R1.374 COCSc1nc(ccc1N)Br 62a_100010168765_100000766300 [0,2,0,0,0,0|2,0,0]=4 9166 B12R1.374 COCSc1nc(ccc1N)C 62a_100000685570_100000766300 [0,2,0,0,0,0|2,0,0]=4 9167 B12R1.374 COCSc1nc(ccc1N)C 62a_100000766300_100000685570 [0,2,0,0,0,0|2,0,0]=4 9168 B12R1.374 COCSc1nc(ccc1N)Cl 62a_100000766300_100010233647 [0,2,0,0,0,0|2,0,0]=4 9169 B12R1.374 COCSc1nc(ccc1N)Cl 62a_100010233647_100000766300 [0,2,0,0,0,0|2,0,0]=4 9170 B12R1.374 COCSc1nc(ccc1N)F 62a_100000766300_100009879877 [0,2,0,0,0,0|2,0,0]=4 9171 B12R1.374 COCSc1nc(ccc1N)F 62a_100009879877_100000766300 [0,2,0,0,0,0|2,0,0]=4 9172 B12R1.374 COCSc1nc(ccc1N)N 62a_100000766300_200009884323 [0,2,0,0,0,0|2,0,0]=4 9173 B12R1.374 COCSc1nc(ccc1N)N 62a_200009884323_100000766300 [0,2,0,0,0,0|2,0,0]=4 9174 B12R1.374 COCSc1nc(ccc1O)Br 62a_100000766300_100010253912 [0,2,0,0,0,0|2,0,0]=4 9175 B12R1.374 COCSc1nc(ccc1O)Br 62a_100010253912_100000766300 [0,2,0,0,0,0|2,0,0]=4 9176 B12R1.374 COCSc1nc(ccc1O)C 62a_100000702858_100000766300 [0,2,0,0,0,0|2,0,0]=4 9177 B12R1.374 COCSc1nc(ccc1O)C 62a_100000766300_100000702858 [0,2,0,0,0,0|2,0,0]=4 9178 B12R1.374 COCSc1nc(ccc1O)Cl 62a_100000766300_100000696390 [0,2,0,0,0,0|2,0,0]=4 9179 B12R1.374 COCSc1nc(ccc1O)F 62a_100000766300_100010382442 [0,2,0,0,0,0|2,0,0]=4 9180 B12R1.374 COCSc1nc(ccc1O)F 62a_100010382442_100000766300 [0,2,0,0,0,0|2,0,0]=4 9181 B12R1.374 CSCCc1cc(ccc1F)F 62a_100011755056_200000210301 [0,2,0,0,0,0|2,0,0]=4 9182 B12R1.374 CSCCc1cc(ccc1F)F 62a_200000210301_100011755056 [0,2,0,0,0,0|2,0,0]=4 9183 B12R1.374 CSCOc1nc(ccc1Br)C 34a_100009817604_100011218213 [0,2,0,0,0,0|2,0,0]=4 9184 B12R1.374 CSCOc1nc(ccc1F)Cl 34a_100010729010_100011218213 [0,2,0,0,0,0|2,0,0]=4 9185 B12R1.374 CSCOc1nc(ccc1N)C 34a_100000687486_100011218213 [0,2,0,0,0,0|2,0,0]=4 9186 B12R1.374 CSCSc1nc(ccc1Br)N 62a_100010192275_100011218213 [0,2,0,0,0,0|2,0,0]=4 9187 B12R1.374 CSCSc1nc(ccc1Br)N 62a_100011218213_100010192275 [0,2,0,0,0,0|2,0,0]=4 9188 B12R1.374 CSCSc1nc(ccc1C)C 62a_100009854376_100011218213 [0,2,0,0,0,0|2,0,0]=4 9189 B12R1.374 CSCSc1nc(ccc1C)C 62a_100011218213_100009854376 [0,2,0,0,0,0|2,0,0]=4 9190 B12R1.374 CSCSc1nc(ccc1C)N 62a_100000126722_100011218213 [0,2,0,0,0,0|2,0,0]=4 9191 B12R1.374 CSCSc1nc(ccc1C)N 62a_100011218213_100000126722 [0,2,0,0,0,0|2,0,0]=4 9192 B12R1.374 CSCSc1nc(ccc1F)C 62a_100009817602_100011218213 [0,2,0,0,0,0|2,0,0]=4 9193 B12R1.374 CSCSc1nc(ccc1F)C 62a_100011218213_100009817602 [0,2,0,0,0,0|2,0,0]=4 9194 B12R1.374 CSCSc1nc(ccc1F)Cl 62a_100010136221_100011218213 [0,2,0,0,0,0|2,0,0]=4 9195 B12R1.374 CSCSc1nc(ccc1F)Cl 62a_100011218213_100010136221 [0,2,0,0,0,0|2,0,0]=4 9196 B12R1.374 CSCSc1nc(ccc1F)F 62a_100010997973_100011218213 [0,2,0,0,0,0|2,0,0]=4 9197 B12R1.374 CSCSc1nc(ccc1F)F 62a_100011218213_100010997973 [0,2,0,0,0,0|2,0,0]=4 9198 B12R1.374 CSCSc1nc(ccc1F)N 62a_100010892222_100011218213 [0,2,0,0,0,0|2,0,0]=4 9199 B12R1.374 CSCSc1nc(ccc1F)N 62a_100011218213_100010892222 [0,2,0,0,0,0|2,0,0]=4 9200 B12R1.374 CSCSc1nc(ccc1N)Br 62a_100010168765_100011218213 [0,2,0,0,0,0|2,0,0]=4 9201 B12R1.374 CSCSc1nc(ccc1N)Br 62a_100011218213_100010168765 [0,2,0,0,0,0|2,0,0]=4 9202 B12R1.374 CSCSc1nc(ccc1N)C 62a_100000685570_100011218213 [0,2,0,0,0,0|2,0,0]=4 9203 B12R1.374 CSCSc1nc(ccc1N)C 62a_100011218213_100000685570 [0,2,0,0,0,0|2,0,0]=4 9204 B12R1.374 CSCSc1nc(ccc1N)Cl 62a_100010233647_100011218213 [0,2,0,0,0,0|2,0,0]=4 9205 B12R1.374 CSCSc1nc(ccc1N)Cl 62a_100011218213_100010233647 [0,2,0,0,0,0|2,0,0]=4 9206 B12R1.374 CSCSc1nc(ccc1N)F 62a_100009879877_100011218213 [0,2,0,0,0,0|2,0,0]=4 9207 B12R1.374 CSCSc1nc(ccc1N)F 62a_100011218213_100009879877 [0,2,0,0,0,0|2,0,0]=4 9208 B12R1.374 CSCSc1nc(ccc1N)N 62a_100011218213_200009884323 [0,2,0,0,0,0|2,0,0]=4 9209 B12R1.374 CSCSc1nc(ccc1N)N 62a_200009884323_100011218213 [0,2,0,0,0,0|2,0,0]=4 9210 B12R1.374 CSCSc1nc(ccc1O)Br 62a_100010253912_100011218213 [0,2,0,0,0,0|2,0,0]=4 9211 B12R1.374 CSCSc1nc(ccc1O)Br 62a_100011218213_100010253912 [0,2,0,0,0,0|2,0,0]=4 9212 B12R1.374 CSCSc1nc(ccc1O)C 62a_100000702858_100011218213 [0,2,0,0,0,0|2,0,0]=4 9213 B12R1.374 CSCSc1nc(ccc1O)C 62a_100011218213_100000702858 [0,2,0,0,0,0|2,0,0]=4 9214 B12R1.374 CSCSc1nc(ccc1O)Cl 62a_100011218213_100000696390 [0,2,0,0,0,0|2,0,0]=4 9215 B12R1.374 CSCSc1nc(ccc1O)F 62a_100010382442_100011218213 [0,2,0,0,0,0|2,0,0]=4 9216 B12R1.374 CSCSc1nc(ccc1O)F 62a_100011218213_100010382442 [0,2,0,0,0,0|2,0,0]=4 9217 B12R1.374 Cc1ccc(c(c1)CCN[13CH3])C 2230a_200011485678_200025704644 [0,2,0,0,0,0|1,0,0]=3 9218 B12R1.374 Cc1ccc(c(c1)CCN[13CH3])C 34a_200011485678_200025704644 [0,2,0,0,0,0|1,0,0]=3 9219 B12R1.374 Cc1ccc(c(c1)CCO[13CH3])C 34a_100011694955_200025704644 [0,2,0,0,0,0|2,0,0]=4 9220 B12R1.374 Cc1ccc(c(c1)CCO[13CH3])C 7a_100011694955_200025704644 [0,2,0,0,0,0|2,0,0]=4 9221 B12R1.374 [13CH3]NCCc1cc(ccc1Cl)Cl 2230a_100000705354_200025704644 [0,2,0,0,0,0|1,0,0]=3 9222 B12R1.374 [13CH3]NCCc1cc(ccc1Cl)Cl 34a_100000705354_200025704644 [0,2,0,0,0,0|1,0,0]=3 9223 B12R1.374 [13CH3]NCCc1cc(ccc1F)Cl 2230a_200011997525_200025704644 [0,2,0,0,0,0|1,0,0]=3 9224 B12R1.374 [13CH3]NCCc1cc(ccc1F)Cl 34a_200011997525_200025704644 [0,2,0,0,0,0|1,0,0]=3 9225 B12R1.374 [13CH3]NCCn1[nH]c(=O)ccc1=O 2230a_100015186976_200025704644 [0,2,0,0,0,0|1,0,1]=4 9226 B12R1.374 [13CH3]OCCc1cc(ccc1Br)Cl 34a_100012426913_200025704644 [0,2,0,0,0,0|2,0,0]=4 9227 B12R1.374 [13CH3]OCCc1cc(ccc1Br)Cl 7a_100012426913_200025704644 [0,2,0,0,0,0|2,0,0]=4 9228 B12R1.374 [13CH3]OCCc1cc(ccc1Cl)Cl 34a_100011754359_200025704644 [0,2,0,0,0,0|2,0,0]=4 9229 B12R1.374 [13CH3]OCCc1cc(ccc1Cl)Cl 7a_100011754359_200025704644 [0,2,0,0,0,0|2,0,0]=4 9230 B12R1.374 [13CH3]OCCc1cc(ccc1F)F 34a_100011755048_200025704644 [0,2,0,0,0,0|2,0,0]=4 9231 B12R1.374 [13CH3]OCCc1cc(ccc1F)F 7a_100011755048_200025704644 [0,2,0,0,0,0|2,0,0]=4 9232 B12R1.374 [13CH3]SCCc1cc(ccc1F)F 62a_100011755056_200025704644 [0,2,0,0,0,0|2,0,0]=4 9233 B12R1.374 [13CH3]SCCc1cc(ccc1F)F 62a_200025704644_100011755056 [0,2,0,0,0,0|2,0,0]=4 9234 B12R1.1631 CCCCc1c(ccc[n+]1[O-])C 271570a_100020621405_100116209805 [0,2,0,0,0,0|1,0,1]=4 9235 B12R1.1631 CCCCc1c(cccc1Br)Br 271570a_100020621405_100009994525 [0,2,0,0,0,0|2,0,0]=4 9236 B12R1.1631 CCCCc1c(cccc1Br)Cl 271570a_100020621405_100010214488 [0,2,0,0,0,0|2,0,0]=4 9237 B12R1.1631 CCCCc1c(cccc1Br)F 271570a_100020621405_100011219512 [0,2,0,0,0,0|2,0,0]=4 9238 B12R1.1631 CCCCc1c(cccc1Br)N 271570a_100020621405_100020590159 [0,2,0,0,0,0|2,0,0]=4 9239 B12R1.1631 CCCCc1c(cccc1Br)O 271570a_100020621405_100010187912 [0,2,0,0,0,0|2,0,0]=4 9240 B12R1.1631 CCCCc1c(cccc1C)C 271570a_100020621405_100000033847 [0,2,0,0,0,0|2,0,0]=4 9241 B12R1.1631 CCCCc1c(cccc1Cl)C 271570a_100020621405_100000043165 [0,2,0,0,0,0|2,0,0]=4 9242 B12R1.1631 CCCCc1c(cccc1Cl)Cl 271570a_100020621405_100000034237 [0,2,0,0,0,0|2,0,0]=4 9243 B12R1.1631 CCCCc1c(cccc1Cl)F 271570a_100020621405_100000050007 [0,2,0,0,0,0|2,0,0]=4 9244 B12R1.1631 CCCCc1c(cccc1Cl)N 271570a_100020621405_100000049713 [0,2,0,0,0,0|2,0,0]=4 9245 B12R1.1631 CCCCc1c(cccc1Cl)O 271570a_100020621405_100000050174 [0,2,0,0,0,0|2,0,0]=4 9246 B12R1.1631 CCCCc1c(cccc1F)C 271570a_100020621405_100012349962 [0,2,0,0,0,0|2,0,0]=4 9247 B12R1.1631 CCCCc1c(cccc1F)F 271570a_100020621405_100000693133 [0,2,0,0,0,0|2,0,0]=4 9248 B12R1.1631 CCCCc1c(cccc1F)N 271570a_100020621405_100011934729 [0,2,0,0,0,0|2,0,0]=4 9249 B12R1.1631 CCCCc1c(cccc1F)O 271570a_100020621405_100009820682 [0,2,0,0,0,0|2,0,0]=4 9250 B12R1.1631 CCCCc1c(cccc1N)C 271570a_100020621405_100000684715 [0,2,0,0,0,0|2,0,0]=4 9251 B12R1.1631 CCCCc1c(cccc1O)C 271570a_100020621405_100000686692 [0,2,0,0,0,0|2,0,0]=4 9252 B12R1.1631 CCCCc1c(cccc1O)N 271570a_100020621405_100012183704 [0,2,0,0,0,0|2,0,0]=4 9253 B12R1.1631 CCCCc1c(cccc1O)O 271570a_100020621405_100010205330 [0,2,0,0,0,0|2,0,0]=4 9254 B12R1.1631 CNCCc1c(cccc1Cl)Cl 2230a_100032004868_200000210301 [0,2,0,0,0,0|1,0,0]=3 9255 B12R1.1631 CNCCc1c(cccc1Cl)Cl 2230a_106832991635_100012161200 [0,2,0,0,0,0|1,0,0]=3 9256 B12R1.1631 CNCCc1c(cccc1Cl)Cl 34a_100032004868_200000210301 [0,2,0,0,0,0|1,0,0]=3 9257 B12R1.1631 CNCCc1c(cccc1Cl)Cl 34a_100102657272_100012161200 [0,2,0,0,0,0|1,0,0]=3 9258 B12R1.1631 CNCCc1c(cccc1Cl)Cl 7a_106832991635_100012161200 [0,2,0,0,0,0|1,0,0]=3 9259 B12R1.1631 CNCCc1c(cccc1Cl)F 2230a_100000688150_200000210301 [0,2,0,0,0,0|1,0,0]=3 9260 B12R1.1631 CNCCc1c(cccc1Cl)F 34a_100000688150_200000210301 [0,2,0,0,0,0|1,0,0]=3 9261 B12R1.1631 COCCc1c(cccc1Cl)Cl 34a_100011934077_200000210301 [0,2,0,0,0,0|2,0,0]=4 9262 B12R1.1631 COCCc1c(cccc1Cl)Cl 34a_100138415774_100012161200 [0,2,0,0,0,0|2,0,0]=4 9263 B12R1.1631 COCCc1c(cccc1Cl)Cl 7a_100011934077_200000210301 [0,2,0,0,0,0|2,0,0]=4 9264 B12R1.1631 COCCc1c(cccc1Cl)F 34a_100011273940_200000210301 [0,2,0,0,0,0|2,0,0]=4 9265 B12R1.1631 COCCc1c(cccc1Cl)F 7a_100011273940_200000210301 [0,2,0,0,0,0|2,0,0]=4 9266 B12R1.1631 COCCc1c(cccc1F)F 34a_100011975733_200000210301 [0,2,0,0,0,0|2,0,0]=4 9267 B12R1.1631 COCCc1c(cccc1F)F 7a_100011975733_200000210301 [0,2,0,0,0,0|2,0,0]=4 9268 B12R1.1631 CSCCc1c(cccc1Cl)Cl 62a_100012161200_200000210301 [0,2,0,0,0,0|2,0,0]=4 9269 B12R1.1631 CSCCc1c(cccc1Cl)Cl 62a_200000210301_100012161200 [0,2,0,0,0,0|2,0,0]=4 9270 B12R1.1631 [13CH3]NCCc1c(cccc1Cl)Cl 2230a_100032004868_200025704644 [0,2,0,0,0,0|1,0,0]=3 9271 B12R1.1631 [13CH3]NCCc1c(cccc1Cl)Cl 34a_100032004868_200025704644 [0,2,0,0,0,0|1,0,0]=3 9272 B12R1.1631 [13CH3]NCCc1c(cccc1Cl)F 2230a_100000688150_200025704644 [0,2,0,0,0,0|1,0,0]=3 9273 B12R1.1631 [13CH3]NCCc1c(cccc1Cl)F 34a_100000688150_200025704644 [0,2,0,0,0,0|1,0,0]=3 9274 B12R1.1631 [13CH3]OCCc1c(cccc1Cl)Cl 34a_100011934077_200025704644 [0,2,0,0,0,0|2,0,0]=4 9275 B12R1.1631 [13CH3]OCCc1c(cccc1Cl)Cl 7a_100011934077_200025704644 [0,2,0,0,0,0|2,0,0]=4 9276 B12R1.1631 [13CH3]OCCc1c(cccc1Cl)F 34a_100011273940_200025704644 [0,2,0,0,0,0|2,0,0]=4 9277 B12R1.1631 [13CH3]OCCc1c(cccc1Cl)F 7a_100011273940_200025704644 [0,2,0,0,0,0|2,0,0]=4 9278 B12R1.1631 [13CH3]OCCc1c(cccc1F)F 34a_100011975733_200025704644 [0,2,0,0,0,0|2,0,0]=4 9279 B12R1.1631 [13CH3]OCCc1c(cccc1F)F 7a_100011975733_200025704644 [0,2,0,0,0,0|2,0,0]=4 9280 B12R1.1631 [13CH3]SCCc1c(cccc1Cl)Cl 62a_100012161200_200025704644 [0,2,0,0,0,0|2,0,0]=4 9281 B12R1.1631 [13CH3]SCCc1c(cccc1Cl)Cl 62a_200025704644_100012161200 [0,2,0,0,0,0|2,0,0]=4 9282 B12R1.28 BrCCOCc1cc(ccn1)Br 34a_100000211926_100010173614 [0,2,0,0,0,0|2,0,0]=4 9283 B12R1.28 BrCCOCc1cccc(n1)Br 34a_100000211926_100009889011 [0,2,0,0,0,0|2,0,0]=4 9284 B12R1.28 C#CCCNc1cc(ccn1)F 27a_100000755551_100000764206 [0,2,0,0,0,0|1,0,1]=4 9285 B12R1.28 C#CCCNc1cccc(n1)F 27a_100000755551_100009815982 [0,2,0,0,0,0|1,0,1]=4 9286 B12R1.28 C#CCCOc1cccc(n1)F 34a_100011432558_100000688953 [0,2,0,0,0,0|1,0,1]=4 9287 B12R1.28 C#CCCSc1cc(ccn1)C 62a_100000688953_100000750283 [0,2,0,0,0,0|1,0,1]=4 9288 B12R1.28 C#CCCSc1cc(ccn1)C 62a_100000750283_100000688953 [0,2,0,0,0,0|1,0,1]=4 9289 B12R1.28 C#CCCSc1cc(ccn1)Cl 62a_100000688953_100010167805 [0,2,0,0,0,0|1,0,1]=4 9290 B12R1.28 C#CCCSc1cc(ccn1)Cl 62a_100010167805_100000688953 [0,2,0,0,0,0|1,0,1]=4 9291 B12R1.28 C#CCCSc1cc(ccn1)F 62a_100000688953_100000764206 [0,2,0,0,0,0|1,0,1]=4 9292 B12R1.28 C#CCCSc1cc(ccn1)F 62a_100000764206_100000688953 [0,2,0,0,0,0|1,0,1]=4 9293 B12R1.28 C#CCCSc1cc(ccn1)N 62a_100000688953_100009814236 [0,2,0,0,0,0|1,0,1]=4 9294 B12R1.28 C#CCCSc1cc(ccn1)N 62a_100009814236_100000688953 [0,2,0,0,0,0|1,0,1]=4 9295 B12R1.28 C#CCCSc1cc(ccn1)O 62a_100000688953_100000762945 [0,2,0,0,0,0|1,0,1]=4 9296 B12R1.28 C#CCCSc1cccc(n1)Br 62a_100000684672_100000688953 [0,2,0,0,0,0|1,0,1]=4 9297 B12R1.28 C#CCCSc1cccc(n1)Br 62a_100000688953_100000684672 [0,2,0,0,0,0|1,0,1]=4 9298 B12R1.28 C#CCCSc1cccc(n1)C 62a_100000688953_100000742759 [0,2,0,0,0,0|1,0,1]=4 9299 B12R1.28 C#CCCSc1cccc(n1)C 62a_100000742759_100000688953 [0,2,0,0,0,0|1,0,1]=4 9300 B12R1.28 C#CCCSc1cccc(n1)Cl 62a_100000051397_100000688953 [0,2,0,0,0,0|1,0,1]=4 9301 B12R1.28 C#CCCSc1cccc(n1)Cl 62a_100000688953_100000051397 [0,2,0,0,0,0|1,0,1]=4 9302 B12R1.28 C#CCCSc1cccc(n1)F 62a_100000688953_100009815982 [0,2,0,0,0,0|1,0,1]=4 9303 B12R1.28 C#CCCSc1cccc(n1)F 62a_100009815982_100000688953 [0,2,0,0,0,0|1,0,1]=4 9304 B12R1.28 C#CCCSc1cccc(n1)N 62a_100000688953_100000740741 [0,2,0,0,0,0|1,0,1]=4 9305 B12R1.28 C#CCCSc1cccc(n1)N 62a_100000740741_100000688953 [0,2,0,0,0,0|1,0,1]=4 9306 B12R1.28 C#CCNCc1cc(ccn1)Br 34a_100000212058_100010173614 [0,2,0,0,0,0|1,0,1]=4 9307 B12R1.28 C#CCNCc1cc(ccn1)C 34a_100000212058_100000718516 [0,2,0,0,0,0|1,0,1]=4 9308 B12R1.28 C#CCNCc1cc(ccn1)Cl 34a_100000212058_100016988179 [0,2,0,0,0,0|1,0,1]=4 9309 B12R1.28 C#CCNCc1cccc(n1)Br 2230a_100016987751_100000038162 [0,2,0,0,0,0|1,0,1]=4 9310 B12R1.28 C#CCNCc1cccc(n1)Br 34a_100000212058_100009889011 [0,2,0,0,0,0|1,0,1]=4 9311 B12R1.28 C#CCNCc1cccc(n1)C 34a_100000212058_100000757606 [0,2,0,0,0,0|1,0,1]=4 9312 B12R1.28 C#CCNCc1cccc(n1)C 34a_100000701342_100000184674 [0,2,0,0,0,0|1,0,1]=4 9313 B12R1.28 C#CCNCc1cccc(n1)Cl 2230a_100016990191_100000038162 [0,2,0,0,0,0|1,0,1]=4 9314 B12R1.28 C#CCNCc1cccc(n1)Cl 34a_100000212058_100000086093 [0,2,0,0,0,0|1,0,1]=4 9315 B12R1.28 C#CCNCc1cccc(n1)F 2230a_100015188798_100000038162 [0,2,0,0,0,0|1,0,1]=4 9316 B12R1.28 C#CCNCc1cccc(n1)F 34a_100000212058_100009819644 [0,2,0,0,0,0|1,0,1]=4 9317 B12R1.28 C#CCNCc1cccc(n1)F 34a_100015188798_100000184674 [0,2,0,0,0,0|1,0,1]=4 9318 B12R1.28 C#CCOCc1cc(ccn1)Br 34a_100000210247_100010173614 [0,2,0,0,0,0|1,0,1]=4 9319 B12R1.28 C#CCOCc1cc(ccn1)C 34a_100000210247_100000718516 [0,2,0,0,0,0|1,0,1]=4 9320 B12R1.28 C#CCOCc1cc(ccn1)C 34a_100011998357_100000184674 [0,2,0,0,0,0|1,0,1]=4 9321 B12R1.28 C#CCOCc1cc(ccn1)Cl 34a_100000210247_100016988179 [0,2,0,0,0,0|1,0,1]=4 9322 B12R1.28 C#CCOCc1cc(ccn1)Cl 34a_100000748867_100000184674 [0,2,0,0,0,0|1,0,1]=4 9323 B12R1.28 C#CCOCc1cc(ccn1)N 34a_100000692640_100000184674 [0,2,0,0,0,0|1,0,1]=4 9324 B12R1.28 C#CCOCc1cccc(n1)Br 34a_100000210247_100009889011 [0,2,0,0,0,0|1,0,1]=4 9325 B12R1.28 C#CCOCc1cccc(n1)Br 34a_100000694195_100000184674 [0,2,0,0,0,0|1,0,1]=4 9326 B12R1.28 C#CCOCc1cccc(n1)C 34a_100000210247_100000757606 [0,2,0,0,0,0|1,0,1]=4 9327 B12R1.28 C#CCOCc1cccc(n1)C 34a_100000690600_100000184674 [0,2,0,0,0,0|1,0,1]=4 9328 B12R1.28 C#CCOCc1cccc(n1)Cl 34a_100000210247_100000086093 [0,2,0,0,0,0|1,0,1]=4 9329 B12R1.28 C#CCOCc1cccc(n1)Cl 34a_100011998359_100000184674 [0,2,0,0,0,0|1,0,1]=4 9330 B12R1.28 C#CCOCc1cccc(n1)F 34a_100000086748_100000184674 [0,2,0,0,0,0|1,0,1]=4 9331 B12R1.28 C#CCOCc1cccc(n1)F 34a_100000210247_100009819644 [0,2,0,0,0,0|1,0,1]=4 9332 B12R1.28 C#CCSCc1cc(ccn1)Br 62a_100000038162_100010173614 [0,2,0,0,0,0|1,0,1]=4 9333 B12R1.28 C#CCSCc1cc(ccn1)C 62a_100000038162_100000718516 [0,2,0,0,0,0|1,0,1]=4 9334 B12R1.28 C#CCSCc1cc(ccn1)Cl 62a_100000038162_100016988179 [0,2,0,0,0,0|1,0,1]=4 9335 B12R1.28 C#CCSCc1cccc(n1)Br 62a_100000038162_100009889011 [0,2,0,0,0,0|1,0,1]=4 9336 B12R1.28 C#CCSCc1cccc(n1)C 62a_100000038162_100000757606 [0,2,0,0,0,0|1,0,1]=4 9337 B12R1.28 C#CCSCc1cccc(n1)Cl 62a_100000038162_100000086093 [0,2,0,0,0,0|1,0,1]=4 9338 B12R1.28 C#CCSCc1cccc(n1)F 62a_100000038162_100009819644 [0,2,0,0,0,0|1,0,1]=4 9339 B12R1.28 C/C=C/COc1cccc(n1)F 34a_100011432558_100102629194 [0,2,0,0,0,0|1,0,1]=4 9340 B12R1.28 C/C=C/CSc1cc(ccn1)C 62a_100000750283_100102629194 [0,2,0,0,0,0|1,0,1]=4 9341 B12R1.28 C/C=C/CSc1cc(ccn1)C 62a_100102629194_100000750283 [0,2,0,0,0,0|1,0,1]=4 9342 B12R1.28 C/C=C/CSc1cc(ccn1)Cl 62a_100010167805_100102629194 [0,2,0,0,0,0|1,0,1]=4 9343 B12R1.28 C/C=C/CSc1cc(ccn1)Cl 62a_100102629194_100010167805 [0,2,0,0,0,0|1,0,1]=4 9344 B12R1.28 C/C=C/CSc1cc(ccn1)F 62a_100000764206_100102629194 [0,2,0,0,0,0|1,0,1]=4 9345 B12R1.28 C/C=C/CSc1cc(ccn1)F 62a_100102629194_100000764206 [0,2,0,0,0,0|1,0,1]=4 9346 B12R1.28 C/C=C/CSc1cc(ccn1)N 62a_100009814236_100102629194 [0,2,0,0,0,0|1,0,1]=4 9347 B12R1.28 C/C=C/CSc1cc(ccn1)N 62a_100102629194_100009814236 [0,2,0,0,0,0|1,0,1]=4 9348 B12R1.28 C/C=C/CSc1cc(ccn1)O 62a_100102629194_100000762945 [0,2,0,0,0,0|1,0,1]=4 9349 B12R1.28 C/C=C/CSc1cccc(n1)Br 62a_100000684672_100102629194 [0,2,0,0,0,0|1,0,1]=4 9350 B12R1.28 C/C=C/CSc1cccc(n1)Br 62a_100102629194_100000684672 [0,2,0,0,0,0|1,0,1]=4 9351 B12R1.28 C/C=C/CSc1cccc(n1)C 62a_100000742759_100102629194 [0,2,0,0,0,0|1,0,1]=4 9352 B12R1.28 C/C=C/CSc1cccc(n1)C 62a_100102629194_100000742759 [0,2,0,0,0,0|1,0,1]=4 9353 B12R1.28 C/C=C/CSc1cccc(n1)Cl 62a_100000051397_100102629194 [0,2,0,0,0,0|1,0,1]=4 9354 B12R1.28 C/C=C/CSc1cccc(n1)Cl 62a_100102629194_100000051397 [0,2,0,0,0,0|1,0,1]=4 9355 B12R1.28 C/C=C/CSc1cccc(n1)F 62a_100009815982_100102629194 [0,2,0,0,0,0|1,0,1]=4 9356 B12R1.28 C/C=C/CSc1cccc(n1)F 62a_100102629194_100009815982 [0,2,0,0,0,0|1,0,1]=4 9357 B12R1.28 C/C=C/CSc1cccc(n1)N 62a_100000740741_100102629194 [0,2,0,0,0,0|1,0,1]=4 9358 B12R1.28 C/C=C/CSc1cccc(n1)N 62a_100102629194_100000740741 [0,2,0,0,0,0|1,0,1]=4 9359 B12R1.28 C=CCCNc1cc(ccn1)F 27a_100015191253_100000764206 [0,2,0,0,0,0|1,0,1]=4 9360 B12R1.28 C=CCCNc1cccc(n1)F 27a_100015191253_100009815982 [0,2,0,0,0,0|1,0,1]=4 9361 B12R1.28 C=CCCOc1cccc(n1)F 34a_100011432558_100000754431 [0,2,0,0,0,0|1,0,1]=4 9362 B12R1.28 C=CCCSc1cc(ccn1)C 62a_100000750283_100000754431 [0,2,0,0,0,0|1,0,1]=4 9363 B12R1.28 C=CCCSc1cc(ccn1)C 62a_100000754431_100000750283 [0,2,0,0,0,0|1,0,1]=4 9364 B12R1.28 C=CCCSc1cc(ccn1)Cl 62a_100000754431_100010167805 [0,2,0,0,0,0|1,0,1]=4 9365 B12R1.28 C=CCCSc1cc(ccn1)Cl 62a_100010167805_100000754431 [0,2,0,0,0,0|1,0,1]=4 9366 B12R1.28 C=CCCSc1cc(ccn1)F 62a_100000754431_100000764206 [0,2,0,0,0,0|1,0,1]=4 9367 B12R1.28 C=CCCSc1cc(ccn1)F 62a_100000764206_100000754431 [0,2,0,0,0,0|1,0,1]=4 9368 B12R1.28 C=CCCSc1cc(ccn1)N 62a_100000754431_100009814236 [0,2,0,0,0,0|1,0,1]=4 9369 B12R1.28 C=CCCSc1cc(ccn1)N 62a_100009814236_100000754431 [0,2,0,0,0,0|1,0,1]=4 9370 B12R1.28 C=CCCSc1cc(ccn1)O 62a_100000754431_100000762945 [0,2,0,0,0,0|1,0,1]=4 9371 B12R1.28 C=CCCSc1cccc(n1)Br 62a_100000684672_100000754431 [0,2,0,0,0,0|1,0,1]=4 9372 B12R1.28 C=CCCSc1cccc(n1)Br 62a_100000754431_100000684672 [0,2,0,0,0,0|1,0,1]=4 9373 B12R1.28 C=CCCSc1cccc(n1)C 62a_100000742759_100000754431 [0,2,0,0,0,0|1,0,1]=4 9374 B12R1.28 C=CCCSc1cccc(n1)C 62a_100000754431_100000742759 [0,2,0,0,0,0|1,0,1]=4 9375 B12R1.28 C=CCCSc1cccc(n1)Cl 62a_100000051397_100000754431 [0,2,0,0,0,0|1,0,1]=4 9376 B12R1.28 C=CCCSc1cccc(n1)Cl 62a_100000754431_100000051397 [0,2,0,0,0,0|1,0,1]=4 9377 B12R1.28 C=CCCSc1cccc(n1)F 62a_100000754431_100009815982 [0,2,0,0,0,0|1,0,1]=4 9378 B12R1.28 C=CCCSc1cccc(n1)F 62a_100009815982_100000754431 [0,2,0,0,0,0|1,0,1]=4 9379 B12R1.28 C=CCCSc1cccc(n1)N 62a_100000740741_100000754431 [0,2,0,0,0,0|1,0,1]=4 9380 B12R1.28 C=CCCSc1cccc(n1)N 62a_100000754431_100000740741 [0,2,0,0,0,0|1,0,1]=4 9381 B12R1.28 C=CCNCc1cc(ccn1)Br 2230a_100020586998_100010173614 [0,2,0,0,0,0|1,0,1]=4 9382 B12R1.28 C=CCNCc1cc(ccn1)Br 270004a_100020586998_100009818557 [0,2,0,0,0,0|1,0,1]=4 9383 B12R1.28 C=CCNCc1cc(ccn1)C 2230a_100020586998_100000718516 [0,2,0,0,0,0|1,0,1]=4 9384 B12R1.28 C=CCNCc1cc(ccn1)C 270004a_100020586998_100011361488 [0,2,0,0,0,0|1,0,1]=4 9385 B12R1.28 C=CCNCc1cc(ccn1)Cl 2230a_100020586998_100016988179 [0,2,0,0,0,0|1,0,1]=4 9386 B12R1.28 C=CCNCc1cc(ccn1)Cl 270004a_100020586998_100011998288 [0,2,0,0,0,0|1,0,1]=4 9387 B12R1.28 C=CCNCc1cccc(n1)Br 2230a_100016987751_100000210623 [0,2,0,0,0,0|1,0,1]=4 9388 B12R1.28 C=CCNCc1cccc(n1)Br 2230a_100020586998_100009889011 [0,2,0,0,0,0|1,0,1]=4 9389 B12R1.28 C=CCNCc1cccc(n1)Br 270004a_100020586998_100000688028 [0,2,0,0,0,0|1,0,1]=4 9390 B12R1.28 C=CCNCc1cccc(n1)C 2230a_100020586998_100000757606 [0,2,0,0,0,0|1,0,1]=4 9391 B12R1.28 C=CCNCc1cccc(n1)C 270004a_100020586998_100011215050 [0,2,0,0,0,0|1,0,1]=4 9392 B12R1.28 C=CCNCc1cccc(n1)C 34a_100000701342_100015514636 [0,2,0,0,0,0|1,0,1]=4 9393 B12R1.28 C=CCNCc1cccc(n1)Cl 2230a_100016990191_100000210623 [0,2,0,0,0,0|1,0,1]=4 9394 B12R1.28 C=CCNCc1cccc(n1)Cl 2230a_100020586998_100000086093 [0,2,0,0,0,0|1,0,1]=4 9395 B12R1.28 C=CCNCc1cccc(n1)Cl 270004a_100020586998_100011361687 [0,2,0,0,0,0|1,0,1]=4 9396 B12R1.28 C=CCNCc1cccc(n1)F 2230a_100015188798_100000210623 [0,2,0,0,0,0|1,0,1]=4 9397 B12R1.28 C=CCNCc1cccc(n1)F 2230a_100020586998_100009819644 [0,2,0,0,0,0|1,0,1]=4 9398 B12R1.28 C=CCNCc1cccc(n1)F 270004a_100020586998_100000050434 [0,2,0,0,0,0|1,0,1]=4 9399 B12R1.28 C=CCNCc1cccc(n1)F 34a_100015188798_100015514636 [0,2,0,0,0,0|1,0,1]=4 9400 B12R1.28 C=CCOCc1cc(ccn1)Br 34a_200000210373_100010173614 [0,2,0,0,0,0|1,0,1]=4 9401 B12R1.28 C=CCOCc1cc(ccn1)C 34a_100011998357_100015514636 [0,2,0,0,0,0|1,0,1]=4 9402 B12R1.28 C=CCOCc1cc(ccn1)C 34a_200000210373_100000718516 [0,2,0,0,0,0|1,0,1]=4 9403 B12R1.28 C=CCOCc1cc(ccn1)Cl 34a_100000748867_100015514636 [0,2,0,0,0,0|1,0,1]=4 9404 B12R1.28 C=CCOCc1cc(ccn1)Cl 34a_200000210373_100016988179 [0,2,0,0,0,0|1,0,1]=4 9405 B12R1.28 C=CCOCc1cc(ccn1)N 34a_100000692640_100015514636 [0,2,0,0,0,0|1,0,1]=4 9406 B12R1.28 C=CCOCc1cccc(n1)Br 34a_100000694195_100015514636 [0,2,0,0,0,0|1,0,1]=4 9407 B12R1.28 C=CCOCc1cccc(n1)Br 34a_200000210373_100009889011 [0,2,0,0,0,0|1,0,1]=4 9408 B12R1.28 C=CCOCc1cccc(n1)C 34a_100000690600_100015514636 [0,2,0,0,0,0|1,0,1]=4 9409 B12R1.28 C=CCOCc1cccc(n1)C 34a_200000210373_100000757606 [0,2,0,0,0,0|1,0,1]=4 9410 B12R1.28 C=CCOCc1cccc(n1)Cl 34a_100011998359_100015514636 [0,2,0,0,0,0|1,0,1]=4 9411 B12R1.28 C=CCOCc1cccc(n1)Cl 34a_200000210373_100000086093 [0,2,0,0,0,0|1,0,1]=4 9412 B12R1.28 C=CCOCc1cccc(n1)F 34a_100000086748_100015514636 [0,2,0,0,0,0|1,0,1]=4 9413 B12R1.28 C=CCOCc1cccc(n1)F 34a_200000210373_100009819644 [0,2,0,0,0,0|1,0,1]=4 9414 B12R1.28 C=CCSCc1cc(ccn1)Br 62a_100000210623_100010173614 [0,2,0,0,0,0|1,0,1]=4 9415 B12R1.28 C=CCSCc1cc(ccn1)Br 62a_100010173614_100000210623 [0,2,0,0,0,0|1,0,1]=4 9416 B12R1.28 C=CCSCc1cc(ccn1)C 62a_100000210623_100000718516 [0,2,0,0,0,0|1,0,1]=4 9417 B12R1.28 C=CCSCc1cc(ccn1)C 62a_100000718516_100000210623 [0,2,0,0,0,0|1,0,1]=4 9418 B12R1.28 C=CCSCc1cc(ccn1)Cl 62a_100000210623_100016988179 [0,2,0,0,0,0|1,0,1]=4 9419 B12R1.28 C=CCSCc1cc(ccn1)Cl 62a_100016988179_100000210623 [0,2,0,0,0,0|1,0,1]=4 9420 B12R1.28 C=CCSCc1cccc(n1)Br 62a_100000210623_100009889011 [0,2,0,0,0,0|1,0,1]=4 9421 B12R1.28 C=CCSCc1cccc(n1)Br 62a_100009889011_100000210623 [0,2,0,0,0,0|1,0,1]=4 9422 B12R1.28 C=CCSCc1cccc(n1)C 62a_100000210623_100000757606 [0,2,0,0,0,0|1,0,1]=4 9423 B12R1.28 C=CCSCc1cccc(n1)C 62a_100000757606_100000210623 [0,2,0,0,0,0|1,0,1]=4 9424 B12R1.28 C=CCSCc1cccc(n1)Cl 62a_100000086093_100000210623 [0,2,0,0,0,0|1,0,1]=4 9425 B12R1.28 C=CCSCc1cccc(n1)Cl 62a_100000210623_100000086093 [0,2,0,0,0,0|1,0,1]=4 9426 B12R1.28 C=CCSCc1cccc(n1)F 62a_100000210623_100009819644 [0,2,0,0,0,0|1,0,1]=4 9427 B12R1.28 C=CCSCc1cccc(n1)F 62a_100009819644_100000210623 [0,2,0,0,0,0|1,0,1]=4 9428 B12R1.28 CC#CCNc1cc(ccn1)F 27a_100000685387_100000764206 [0,2,0,0,0,0|1,0,1]=4 9429 B12R1.28 CC#CCNc1cccc(n1)F 27a_100000685387_100009815982 [0,2,0,0,0,0|1,0,1]=4 9430 B12R1.28 CC#CCOc1cccc(n1)F 34a_100011432558_100000748600 [0,2,0,0,0,0|1,0,1]=4 9431 B12R1.28 CC#CCSc1cc(ccn1)C 62a_100000748600_100000750283 [0,2,0,0,0,0|1,0,1]=4 9432 B12R1.28 CC#CCSc1cc(ccn1)C 62a_100000750283_100000748600 [0,2,0,0,0,0|1,0,1]=4 9433 B12R1.28 CC#CCSc1cc(ccn1)Cl 62a_100000748600_100010167805 [0,2,0,0,0,0|1,0,1]=4 9434 B12R1.28 CC#CCSc1cc(ccn1)Cl 62a_100010167805_100000748600 [0,2,0,0,0,0|1,0,1]=4 9435 B12R1.28 CC#CCSc1cc(ccn1)F 62a_100000748600_100000764206 [0,2,0,0,0,0|1,0,1]=4 9436 B12R1.28 CC#CCSc1cc(ccn1)F 62a_100000764206_100000748600 [0,2,0,0,0,0|1,0,1]=4 9437 B12R1.28 CC#CCSc1cc(ccn1)N 62a_100000748600_100009814236 [0,2,0,0,0,0|1,0,1]=4 9438 B12R1.28 CC#CCSc1cc(ccn1)N 62a_100009814236_100000748600 [0,2,0,0,0,0|1,0,1]=4 9439 B12R1.28 CC#CCSc1cc(ccn1)O 62a_100000748600_100000762945 [0,2,0,0,0,0|1,0,1]=4 9440 B12R1.28 CC#CCSc1cccc(n1)Br 62a_100000684672_100000748600 [0,2,0,0,0,0|1,0,1]=4 9441 B12R1.28 CC#CCSc1cccc(n1)Br 62a_100000748600_100000684672 [0,2,0,0,0,0|1,0,1]=4 9442 B12R1.28 CC#CCSc1cccc(n1)C 62a_100000742759_100000748600 [0,2,0,0,0,0|1,0,1]=4 9443 B12R1.28 CC#CCSc1cccc(n1)C 62a_100000748600_100000742759 [0,2,0,0,0,0|1,0,1]=4 9444 B12R1.28 CC#CCSc1cccc(n1)Cl 62a_100000051397_100000748600 [0,2,0,0,0,0|1,0,1]=4 9445 B12R1.28 CC#CCSc1cccc(n1)Cl 62a_100000748600_100000051397 [0,2,0,0,0,0|1,0,1]=4 9446 B12R1.28 CC#CCSc1cccc(n1)F 62a_100000748600_100009815982 [0,2,0,0,0,0|1,0,1]=4 9447 B12R1.28 CC#CCSc1cccc(n1)F 62a_100009815982_100000748600 [0,2,0,0,0,0|1,0,1]=4 9448 B12R1.28 CC#CCSc1cccc(n1)N 62a_100000740741_100000748600 [0,2,0,0,0,0|1,0,1]=4 9449 B12R1.28 CC#CCSc1cccc(n1)N 62a_100000748600_100000740741 [0,2,0,0,0,0|1,0,1]=4 9450 B12R1.28 CC=CCOc1cccc(n1)F 34a_100011432558_100000070051 [0,2,0,0,0,0|1,0,1]=4 9451 B12R1.28 CC=CCSc1cc(ccn1)C 62a_100000070051_100000750283 [0,2,0,0,0,0|1,0,1]=4 9452 B12R1.28 CC=CCSc1cc(ccn1)C 62a_100000750283_100000070051 [0,2,0,0,0,0|1,0,1]=4 9453 B12R1.28 CC=CCSc1cc(ccn1)Cl 62a_100000070051_100010167805 [0,2,0,0,0,0|1,0,1]=4 9454 B12R1.28 CC=CCSc1cc(ccn1)Cl 62a_100010167805_100000070051 [0,2,0,0,0,0|1,0,1]=4 9455 B12R1.28 CC=CCSc1cc(ccn1)F 62a_100000070051_100000764206 [0,2,0,0,0,0|1,0,1]=4 9456 B12R1.28 CC=CCSc1cc(ccn1)F 62a_100000764206_100000070051 [0,2,0,0,0,0|1,0,1]=4 9457 B12R1.28 CC=CCSc1cc(ccn1)N 62a_100000070051_100009814236 [0,2,0,0,0,0|1,0,1]=4 9458 B12R1.28 CC=CCSc1cc(ccn1)N 62a_100009814236_100000070051 [0,2,0,0,0,0|1,0,1]=4 9459 B12R1.28 CC=CCSc1cc(ccn1)O 62a_100000070051_100000762945 [0,2,0,0,0,0|1,0,1]=4 9460 B12R1.28 CC=CCSc1cccc(n1)Br 62a_100000070051_100000684672 [0,2,0,0,0,0|1,0,1]=4 9461 B12R1.28 CC=CCSc1cccc(n1)Br 62a_100000684672_100000070051 [0,2,0,0,0,0|1,0,1]=4 9462 B12R1.28 CC=CCSc1cccc(n1)C 62a_100000070051_100000742759 [0,2,0,0,0,0|1,0,1]=4 9463 B12R1.28 CC=CCSc1cccc(n1)C 62a_100000742759_100000070051 [0,2,0,0,0,0|1,0,1]=4 9464 B12R1.28 CC=CCSc1cccc(n1)Cl 62a_100000051397_100000070051 [0,2,0,0,0,0|1,0,1]=4 9465 B12R1.28 CC=CCSc1cccc(n1)Cl 62a_100000070051_100000051397 [0,2,0,0,0,0|1,0,1]=4 9466 B12R1.28 CC=CCSc1cccc(n1)F 62a_100000070051_100009815982 [0,2,0,0,0,0|1,0,1]=4 9467 B12R1.28 CC=CCSc1cccc(n1)F 62a_100009815982_100000070051 [0,2,0,0,0,0|1,0,1]=4 9468 B12R1.28 CC=CCSc1cccc(n1)N 62a_100000070051_100000740741 [0,2,0,0,0,0|1,0,1]=4 9469 B12R1.28 CC=CCSc1cccc(n1)N 62a_100000740741_100000070051 [0,2,0,0,0,0|1,0,1]=4 9470 B12R1.28 CCCC=Cc1cc(ccn1)C 271570a_100016258520_100000750283 [0,2,0,0,0,0|1,0,1]=4 9471 B12R1.28 CCCC=Cc1cc(ccn1)Cl 271570a_100016258520_100010167805 [0,2,0,0,0,0|1,0,1]=4 9472 B12R1.28 CCCC=Cc1cc(ccn1)F 271570a_100016258520_100009817058 [0,2,0,0,0,0|1,0,1]=4 9473 B12R1.28 CCCC=Cc1cc(ccn1)N 271570a_100016258520_100009814236 [0,2,0,0,0,0|1,0,1]=4 9474 B12R1.28 CCCC=Cc1cc(ccn1)O 271570a_100016258520_100000762945 [0,2,0,0,0,0|1,0,1]=4 9475 B12R1.28 CCCC=Cc1cccc(n1)Br 271570a_100016258520_100000684672 [0,2,0,0,0,0|1,0,1]=4 9476 B12R1.28 CCCC=Cc1cccc(n1)C 271570a_100016258520_100000742759 [0,2,0,0,0,0|1,0,1]=4 9477 B12R1.28 CCCC=Cc1cccc(n1)F 271570a_100016258520_100009815982 [0,2,0,0,0,0|1,0,1]=4 9478 B12R1.28 CCCC=Cc1cccc(n1)N 271570a_100016258520_100000740741 [0,2,0,0,0,0|1,0,1]=4 9479 B12R1.28 CCCCNc1c[n+](ccn1)[O-] 27a_100000102301_100009880115 [0,2,0,0,0,0|2,0,0]=4 9480 B12R1.28 CCCCNc1cc(ccn1)F 27a_100000102301_100000764206 [0,2,0,0,0,0|1,0,0]=3 9481 B12R1.28 CCCCNc1cc(cnn1)C 27a_100000102301_100000070100 [0,2,0,0,0,0|2,0,0]=4 9482 B12R1.28 CCCCNc1cc(ncn1)C 27a_100000102301_100000744208 [0,2,0,0,0,0|2,0,0]=4 9483 B12R1.28 CCCCNc1cc(ncn1)F 27a_100000102301_200009880791 [0,2,0,0,0,0|2,0,0]=4 9484 B12R1.28 CCCCNc1cc(ncn1)N 27a_100000102301_100000701291 [0,2,0,0,0,0|2,0,0]=4 9485 B12R1.28 CCCCNc1cc(ncn1)O 271570a_203496583355_200011210052 [0,2,0,0,0,0|2,0,0]=4 9486 B12R1.28 CCCCNc1cc(ncn1)O 27a_100000102301_100000765262 [0,2,0,0,0,0|2,0,0]=4 9487 B12R1.28 CCCCNc1cc[nH]c(=O)n1 27a_100000102301_200000134032 [0,2,0,0,0,0|2,0,0]=4 9488 B12R1.28 CCCCNc1cccc(c1)Br 34a_100000210019_100000210210 [0,2,0,0,0,0|2,0,0]=4 9489 B12R1.28 CCCCNc1cccc(c1)C 2230a_100000188690_100000210211 [0,2,0,0,0,0|2,0,0]=4 9490 B12R1.28 CCCCNc1cccc(c1)C 34a_100000188690_100000210210 [0,2,0,0,0,0|2,0,0]=4 9491 B12R1.28 CCCCNc1cccc(c1)Cl 34a_100000185859_100000210210 [0,2,0,0,0,0|2,0,0]=4 9492 B12R1.28 CCCCNc1cccc(c1)F 34a_100000210047_100000210210 [0,2,0,0,0,0|2,0,0]=4 9493 B12R1.28 CCCCNc1cccc(c1)I 34a_100000211102_100000210210 [0,2,0,0,0,0|2,0,0]=4 9494 B12R1.28 CCCCNc1cccc(c1)O 34a_100000210217_100000210210 [0,2,0,0,0,0|2,0,0]=4 9495 B12R1.28 CCCCNc1cccc(n1)F 27a_100000102301_100009815982 [0,2,0,0,0,0|1,0,0]=3 9496 B12R1.28 CCCCNc1ccnc(n1)C 27a_100000102301_100000749937 [0,2,0,0,0,0|2,0,0]=4 9497 B12R1.28 CCCCNc1ccnc(n1)N 27a_100000102301_100000055538 [0,2,0,0,0,0|2,0,0]=4 9498 B12R1.28 CCCCNc1cncc(n1)C 27a_100000102301_100000754123 [0,2,0,0,0,0|2,0,0]=4 9499 B12R1.28 CCCCNc1cncc(n1)Cl 27a_100000102301_100010892449 [0,2,0,0,0,0|2,0,0]=4 9500 B12R1.28 CCCCNc1cncc(n1)F 27a_100000102301_200009863489 [0,2,0,0,0,0|2,0,0]=4 9501 B12R1.28 CCCCNc1cncc(n1)O 271570a_203496583355_200011210053 [0,2,0,0,0,0|2,0,0]=4 9502 B12R1.28 CCCCNc1nccc(n1)C 27a_100000102301_100000750684 [0,2,0,0,0,0|2,0,0]=4 9503 B12R1.28 CCCCNc1nccc(n1)N 27a_100000102301_100000757536 [0,2,0,0,0,0|2,0,0]=4 9504 B12R1.28 CCCCNc1nccc(n1)O 27a_100000102301_100011649813 [0,2,0,0,0,0|2,0,0]=4 9505 B12R1.28 CCCCOc1cc(cnn1)C 34a_100000766097_100000210210 [0,2,0,0,0,0|2,0,0]=4 9506 B12R1.28 CCCCOc1cccc(=O)[nH]1 34a_100000033347_100000210210 [0,2,0,0,0,0|1,0,1]=4 9507 B12R1.28 CCCCOc1cccc(c1)Br 34a_100000210342_100000210210 [0,2,0,0,0,0|2,0,0]=4 9508 B12R1.28 CCCCOc1cccc(c1)Br 7a_100000210342_100000210211 [0,2,0,0,0,0|2,0,0]=4 9509 B12R1.28 CCCCOc1cccc(c1)C 34a_100000210337_100000210210 [0,2,0,0,0,0|2,0,0]=4 9510 B12R1.28 CCCCOc1cccc(c1)C 7a_100000210337_100000210211 [0,2,0,0,0,0|2,0,0]=4 9511 B12R1.28 CCCCOc1cccc(c1)Cl 34a_100000210295_100000210210 [0,2,0,0,0,0|2,0,0]=4 9512 B12R1.28 CCCCOc1cccc(c1)Cl 7a_100000210295_100000210211 [0,2,0,0,0,0|2,0,0]=4 9513 B12R1.28 CCCCOc1cccc(c1)F 34a_100000210426_100000210210 [0,2,0,0,0,0|2,0,0]=4 9514 B12R1.28 CCCCOc1cccc(c1)F 7a_100000210426_100000210211 [0,2,0,0,0,0|2,0,0]=4 9515 B12R1.28 CCCCOc1cccc(c1)I 34a_100000211634_100000210210 [0,2,0,0,0,0|2,0,0]=4 9516 B12R1.28 CCCCOc1cccc(c1)I 7a_100000211634_100000210211 [0,2,0,0,0,0|2,0,0]=4 9517 B12R1.28 CCCCOc1cccc(c1)N 34a_100000210217_100000210210 [0,2,0,0,0,0|2,0,0]=4 9518 B12R1.28 CCCCOc1cccc(c1)O 271570a_203496583355_200011212284 [0,2,0,0,0,0|2,0,0]=4 9519 B12R1.28 CCCCOc1cccc(n1)F 34a_100011432558_100000210210 [0,2,0,0,0,0|1,0,0]=3 9520 B12R1.28 CCCCOc1cccc(n1)O 271570a_203496583355_200011960251 [0,2,0,0,0,0|1,0,0]=3 9521 B12R1.28 CCCCSc1c[n+](ccn1)[O-] 62a_100000210211_100009880115 [0,2,0,0,0,0|2,0,0]=4 9522 B12R1.28 CCCCSc1cc(=O)[nH]cn1 62a_100012002517_100000210210 [0,2,0,0,0,0|2,0,0]=4 9523 B12R1.28 CCCCSc1cc(=O)cc[nH]1 62a_100009817434_100000210210 [0,2,0,0,0,0|1,0,1]=4 9524 B12R1.28 CCCCSc1cc(ccn1)C 62a_100000210211_100000750283 [0,2,0,0,0,0|1,0,0]=3 9525 B12R1.28 CCCCSc1cc(ccn1)C 62a_100000750283_100000210210 [0,2,0,0,0,0|1,0,0]=3 9526 B12R1.28 CCCCSc1cc(ccn1)Cl 62a_100000210211_100010167805 [0,2,0,0,0,0|1,0,0]=3 9527 B12R1.28 CCCCSc1cc(ccn1)Cl 62a_100010167805_100000210210 [0,2,0,0,0,0|1,0,0]=3 9528 B12R1.28 CCCCSc1cc(ccn1)F 62a_100000210211_100000764206 [0,2,0,0,0,0|1,0,0]=3 9529 B12R1.28 CCCCSc1cc(ccn1)F 62a_100000764206_100000210210 [0,2,0,0,0,0|1,0,0]=3 9530 B12R1.28 CCCCSc1cc(ccn1)N 62a_100000210211_100009814236 [0,2,0,0,0,0|1,0,0]=3 9531 B12R1.28 CCCCSc1cc(ccn1)N 62a_100009814236_100000210210 [0,2,0,0,0,0|1,0,0]=3 9532 B12R1.28 CCCCSc1cc(ccn1)O 62a_100000210211_100000762945 [0,2,0,0,0,0|1,0,0]=3 9533 B12R1.28 CCCCSc1cc(cnn1)C 62a_100000070100_100000210210 [0,2,0,0,0,0|2,0,0]=4 9534 B12R1.28 CCCCSc1cc(cnn1)C 62a_100000210211_100000070100 [0,2,0,0,0,0|2,0,0]=4 9535 B12R1.28 CCCCSc1cc(cnn1)N 62a_100000210211_100011996757 [0,2,0,0,0,0|2,0,0]=4 9536 B12R1.28 CCCCSc1cc(cnn1)N 62a_100011996757_100000210210 [0,2,0,0,0,0|2,0,0]=4 9537 B12R1.28 CCCCSc1cc(cnn1)O 62a_100000210211_200010734679 [0,2,0,0,0,0|2,0,0]=4 9538 B12R1.28 CCCCSc1cc(ncn1)C 62a_100000210211_100000744208 [0,2,0,0,0,0|2,0,0]=4 9539 B12R1.28 CCCCSc1cc(ncn1)C 62a_100000744208_100000210210 [0,2,0,0,0,0|2,0,0]=4 9540 B12R1.28 CCCCSc1cc(ncn1)Cl 62a_100000210211_100010161198 [0,2,0,0,0,0|2,0,0]=4 9541 B12R1.28 CCCCSc1cc(ncn1)Cl 62a_100010161198_100000210210 [0,2,0,0,0,0|2,0,0]=4 9542 B12R1.28 CCCCSc1cc(ncn1)F 62a_100000210211_200009880791 [0,2,0,0,0,0|2,0,0]=4 9543 B12R1.28 CCCCSc1cc(ncn1)F 62a_200009880791_100000210210 [0,2,0,0,0,0|2,0,0]=4 9544 B12R1.28 CCCCSc1cc(ncn1)N 62a_100000210211_100000701291 [0,2,0,0,0,0|2,0,0]=4 9545 B12R1.28 CCCCSc1cc(ncn1)N 62a_100000701291_100000210210 [0,2,0,0,0,0|2,0,0]=4 9546 B12R1.28 CCCCSc1cc(ncn1)O 62a_100000210211_100000765262 [0,2,0,0,0,0|2,0,0]=4 9547 B12R1.28 CCCCSc1cc[nH]c(=O)n1 62a_100000210211_200000134032 [0,2,0,0,0,0|2,0,0]=4 9548 B12R1.28 CCCCSc1cccc(=O)[nH]1 62a_100000210211_100000752884 [0,2,0,0,0,0|1,0,1]=4 9549 B12R1.28 CCCCSc1cccc(c1)Br 62a_100000210211_100000691529 [0,2,0,0,0,0|2,0,0]=4 9550 B12R1.28 CCCCSc1cccc(c1)Br 62a_100000691529_100000210210 [0,2,0,0,0,0|2,0,0]=4 9551 B12R1.28 CCCCSc1cccc(c1)C 62a_100000210211_100011215228 [0,2,0,0,0,0|2,0,0]=4 9552 B12R1.28 CCCCSc1cccc(c1)C 62a_100011215228_100000210210 [0,2,0,0,0,0|2,0,0]=4 9553 B12R1.28 CCCCSc1cccc(c1)Cl 62a_100000210211_100000699651 [0,2,0,0,0,0|2,0,0]=4 9554 B12R1.28 CCCCSc1cccc(c1)Cl 62a_100000699651_100000210210 [0,2,0,0,0,0|2,0,0]=4 9555 B12R1.28 CCCCSc1cccc(c1)F 62a_100000210211_100000685547 [0,2,0,0,0,0|2,0,0]=4 9556 B12R1.28 CCCCSc1cccc(c1)F 62a_100000685547_100000210210 [0,2,0,0,0,0|2,0,0]=4 9557 B12R1.28 CCCCSc1cccc(c1)N 62a_100000210019_100000210210 [0,2,0,0,0,0|2,0,0]=4 9558 B12R1.28 CCCCSc1cccc(c1)N 62a_100000210211_100000210019 [0,2,0,0,0,0|2,0,0]=4 9559 B12R1.28 CCCCSc1cccc(c1)O 271570a_203496583355_100010128134 [0,2,0,0,0,0|2,0,0]=4 9560 B12R1.28 CCCCSc1cccc(c1)O 62a_100000210211_100000211634 [0,2,0,0,0,0|2,0,0]=4 9561 B12R1.28 CCCCSc1cccc(c1)[S] 62a_100000210211_114929384022 [0,2,0,0,0,0|2,0,0]=4 9562 B12R1.28 CCCCSc1cccc(c1)[S] 62a_114929384022_100000210210 [0,2,0,0,0,0|2,0,0]=4 9563 B12R1.28 CCCCSc1cccc(n1)Br 62a_100000210211_100000684672 [0,2,0,0,0,0|1,0,0]=3 9564 B12R1.28 CCCCSc1cccc(n1)Br 62a_100000684672_100000210210 [0,2,0,0,0,0|1,0,0]=3 9565 B12R1.28 CCCCSc1cccc(n1)C 62a_100000210211_100000742759 [0,2,0,0,0,0|1,0,0]=3 9566 B12R1.28 CCCCSc1cccc(n1)C 62a_100000742759_100000210210 [0,2,0,0,0,0|1,0,0]=3 9567 B12R1.28 CCCCSc1cccc(n1)Cl 62a_100000051397_100000210210 [0,2,0,0,0,0|1,0,0]=3 9568 B12R1.28 CCCCSc1cccc(n1)Cl 62a_100000210211_100000051397 [0,2,0,0,0,0|1,0,0]=3 9569 B12R1.28 CCCCSc1cccc(n1)F 62a_100000210211_100009815982 [0,2,0,0,0,0|1,0,0]=3 9570 B12R1.28 CCCCSc1cccc(n1)F 62a_100009815982_100000210210 [0,2,0,0,0,0|1,0,0]=3 9571 B12R1.28 CCCCSc1cccc(n1)N 62a_100000210211_100000740741 [0,2,0,0,0,0|1,0,0]=3 9572 B12R1.28 CCCCSc1cccc(n1)N 62a_100000740741_100000210210 [0,2,0,0,0,0|1,0,0]=3 9573 B12R1.28 CCCCSc1ccnc(n1)C 62a_100000210211_100000749937 [0,2,0,0,0,0|2,0,0]=4 9574 B12R1.28 CCCCSc1ccnc(n1)C 62a_100000749937_100000210210 [0,2,0,0,0,0|2,0,0]=4 9575 B12R1.28 CCCCSc1ccnc(n1)Cl 62a_100000210211_100010154678 [0,2,0,0,0,0|2,0,0]=4 9576 B12R1.28 CCCCSc1ccnc(n1)Cl 62a_100010154678_100000210210 [0,2,0,0,0,0|2,0,0]=4 9577 B12R1.28 CCCCSc1ccnc(n1)N 62a_100000055538_100000210210 [0,2,0,0,0,0|2,0,0]=4 9578 B12R1.28 CCCCSc1ccnc(n1)N 62a_100000210211_100000055538 [0,2,0,0,0,0|2,0,0]=4 9579 B12R1.28 CCCCSc1cncc(n1)C 62a_100000210211_100000754123 [0,2,0,0,0,0|2,0,0]=4 9580 B12R1.28 CCCCSc1cncc(n1)C 62a_100000754123_100000210210 [0,2,0,0,0,0|2,0,0]=4 9581 B12R1.28 CCCCSc1cncc(n1)Cl 62a_100000210211_100010892449 [0,2,0,0,0,0|2,0,0]=4 9582 B12R1.28 CCCCSc1cncc(n1)Cl 62a_100010892449_100000210210 [0,2,0,0,0,0|2,0,0]=4 9583 B12R1.28 CCCCSc1cncc(n1)F 62a_100000210211_200009863489 [0,2,0,0,0,0|2,0,0]=4 9584 B12R1.28 CCCCSc1cncc(n1)F 62a_200009863489_100000210210 [0,2,0,0,0,0|2,0,0]=4 9585 B12R1.28 CCCCSc1cncc(n1)N 62a_100000210211_100000747728 [0,2,0,0,0,0|2,0,0]=4 9586 B12R1.28 CCCCSc1cncc(n1)N 62a_100000747728_100000210210 [0,2,0,0,0,0|2,0,0]=4 9587 B12R1.28 CCCCSc1cncc(n1)O 62a_100000210211_100011269956 [0,2,0,0,0,0|2,0,0]=4 9588 B12R1.28 CCCCSc1nccc(n1)C 62a_100000210211_100011243806 [0,2,0,0,0,0|2,0,0]=4 9589 B12R1.28 CCCCSc1nccc(n1)C 62a_100011243806_100000210210 [0,2,0,0,0,0|2,0,0]=4 9590 B12R1.28 CCCCSc1nccc(n1)N 62a_100000210211_100000757536 [0,2,0,0,0,0|2,0,0]=4 9591 B12R1.28 CCCCSc1nccc(n1)N 62a_100000757536_100000210210 [0,2,0,0,0,0|2,0,0]=4 9592 B12R1.28 CCCCSc1nccc(n1)O 62a_100000210211_100011649813 [0,2,0,0,0,0|2,0,0]=4 9593 B12R1.28 CCCNCc1cc(ccn1)Br 270004a_100020643023_100009818557 [0,2,0,0,0,0|1,0,0]=3 9594 B12R1.28 CCCNCc1cc(ccn1)C 207a_100020643023_100011361488 [0,2,0,0,0,0|1,0,0]=3 9595 B12R1.28 CCCNCc1cc(ccn1)C 270004a_100020643023_100011361488 [0,2,0,0,0,0|1,0,0]=3 9596 B12R1.28 CCCNCc1cc(ccn1)Cl 270004a_100020643023_100011998288 [0,2,0,0,0,0|1,0,0]=3 9597 B12R1.28 CCCNCc1cccc(=O)[nH]1 207a_100020643023_100011935257 [0,2,0,0,0,0|1,0,1]=4 9598 B12R1.28 CCCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210303 [0,2,0,0,0,0|1,0,1]=4 9599 B12R1.28 CCCNCc1cccc(c1)Br 207a_100020643023_100000210085 [0,2,0,0,0,0|2,0,0]=4 9600 B12R1.28 CCCNCc1cccc(c1)Br 2230a_100000174977_100000210303 [0,2,0,0,0,0|2,0,0]=4 9601 B12R1.28 CCCNCc1cccc(c1)Br 270004a_100020643023_100000210085 [0,2,0,0,0,0|2,0,0]=4 9602 B12R1.28 CCCNCc1cccc(c1)Br 34a_100000174977_100000210303 [0,2,0,0,0,0|2,0,0]=4 9603 B12R1.28 CCCNCc1cccc(c1)C 207a_100020643023_100000211157 [0,2,0,0,0,0|2,0,0]=4 9604 B12R1.28 CCCNCc1cccc(c1)C 2230a_100000185548_100000210303 [0,2,0,0,0,0|2,0,0]=4 9605 B12R1.28 CCCNCc1cccc(c1)C 270004a_100020643023_100000211157 [0,2,0,0,0,0|2,0,0]=4 9606 B12R1.28 CCCNCc1cccc(c1)C 34a_100000185548_100000210303 [0,2,0,0,0,0|2,0,0]=4 9607 B12R1.28 CCCNCc1cccc(c1)Cl 207a_100020643023_100000210801 [0,2,0,0,0,0|2,0,0]=4 9608 B12R1.28 CCCNCc1cccc(c1)Cl 2230a_100000174878_100000210303 [0,2,0,0,0,0|2,0,0]=4 9609 B12R1.28 CCCNCc1cccc(c1)Cl 270004a_100020643023_100000210801 [0,2,0,0,0,0|2,0,0]=4 9610 B12R1.28 CCCNCc1cccc(c1)Cl 34a_100000174878_100000210303 [0,2,0,0,0,0|2,0,0]=4 9611 B12R1.28 CCCNCc1cccc(c1)F 207a_100020643023_100000210812 [0,2,0,0,0,0|2,0,0]=4 9612 B12R1.28 CCCNCc1cccc(c1)F 2230a_100000174948_100000210303 [0,2,0,0,0,0|2,0,0]=4 9613 B12R1.28 CCCNCc1cccc(c1)F 270004a_100020643023_100000210812 [0,2,0,0,0,0|2,0,0]=4 9614 B12R1.28 CCCNCc1cccc(c1)F 34a_100000174948_100000210303 [0,2,0,0,0,0|2,0,0]=4 9615 B12R1.28 CCCNCc1cccc(c1)I 207a_100020643023_100000014684 [0,2,0,0,0,0|2,0,0]=4 9616 B12R1.28 CCCNCc1cccc(c1)I 2230a_100000106179_100000210303 [0,2,0,0,0,0|2,0,0]=4 9617 B12R1.28 CCCNCc1cccc(c1)I 270004a_100020643023_100000014684 [0,2,0,0,0,0|2,0,0]=4 9618 B12R1.28 CCCNCc1cccc(c1)I 34a_100000106179_100000210303 [0,2,0,0,0,0|2,0,0]=4 9619 B12R1.28 CCCNCc1cccc(c1)O 207a_100020643023_100000188321 [0,2,0,0,0,0|2,0,0]=4 9620 B12R1.28 CCCNCc1cccc(c1)O 2230a_100000743036_100000210303 [0,2,0,0,0,0|2,0,0]=4 9621 B12R1.28 CCCNCc1cccc(c1)O 270004a_100020643023_100000188321 [0,2,0,0,0,0|2,0,0]=4 9622 B12R1.28 CCCNCc1cccc(c1)O 271570a_203496583355_100015184641 [0,2,0,0,0,0|2,0,0]=4 9623 B12R1.28 CCCNCc1cccc(c1)O 34a_100000743036_100000210303 [0,2,0,0,0,0|2,0,0]=4 9624 B12R1.28 CCCNCc1cccc(n1)Br 2230a_100016987751_100000210303 [0,2,0,0,0,0|1,0,0]=3 9625 B12R1.28 CCCNCc1cccc(n1)Br 270004a_100020643023_100000688028 [0,2,0,0,0,0|1,0,0]=3 9626 B12R1.28 CCCNCc1cccc(n1)C 207a_100020643023_100011215050 [0,2,0,0,0,0|1,0,0]=3 9627 B12R1.28 CCCNCc1cccc(n1)C 270004a_100020643023_100011215050 [0,2,0,0,0,0|1,0,0]=3 9628 B12R1.28 CCCNCc1cccc(n1)C 34a_100000701342_100000210303 [0,2,0,0,0,0|1,0,0]=3 9629 B12R1.28 CCCNCc1cccc(n1)Cl 2230a_100016990191_100000210303 [0,2,0,0,0,0|1,0,0]=3 9630 B12R1.28 CCCNCc1cccc(n1)Cl 270004a_100020643023_100011361687 [0,2,0,0,0,0|1,0,0]=3 9631 B12R1.28 CCCNCc1cccc(n1)F 2230a_100015188798_100000210303 [0,2,0,0,0,0|1,0,0]=3 9632 B12R1.28 CCCNCc1cccc(n1)F 270004a_100020643023_100000050434 [0,2,0,0,0,0|1,0,0]=3 9633 B12R1.28 CCCNCc1cccc(n1)F 34a_100015188798_100000210303 [0,2,0,0,0,0|1,0,0]=3 9634 B12R1.28 CCCNCc1ccnc(n1)C 270004a_100020643023_100011361539 [0,2,0,0,0,0|2,0,0]=4 9635 B12R1.28 CCCNCc1cncc(n1)C 207a_100020643023_100000100294 [0,2,0,0,0,0|2,0,0]=4 9636 B12R1.28 CCCNCc1cncc(n1)C 270004a_100020643023_100000100294 [0,2,0,0,0,0|2,0,0]=4 9637 B12R1.28 CCCNCc1nccc(n1)C 2230a_100015186494_100000210303 [0,2,0,0,0,0|2,0,0]=4 9638 B12R1.28 CCCOCc1cc(ccn1)Br 34a_100000210258_100010173614 [0,2,0,0,0,0|1,0,0]=3 9639 B12R1.28 CCCOCc1cc(ccn1)C 34a_100000210258_100000718516 [0,2,0,0,0,0|1,0,0]=3 9640 B12R1.28 CCCOCc1cc(ccn1)C 34a_100011998357_100000210303 [0,2,0,0,0,0|1,0,0]=3 9641 B12R1.28 CCCOCc1cc(ccn1)Cl 34a_100000210258_100016988179 [0,2,0,0,0,0|1,0,0]=3 9642 B12R1.28 CCCOCc1cc(ccn1)Cl 34a_100000748867_100000210303 [0,2,0,0,0,0|1,0,0]=3 9643 B12R1.28 CCCOCc1cc(ccn1)N 34a_100000692640_100000210303 [0,2,0,0,0,0|1,0,0]=3 9644 B12R1.28 CCCOCc1cc(cnn1)C 34a_100016212594_100000210303 [0,2,0,0,0,0|2,0,0]=4 9645 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000210258_100000698116 [0,2,0,0,0,0|2,0,0]=4 9646 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000687537_100000210303 [0,2,0,0,0,0|2,0,0]=4 9647 B12R1.28 CCCOCc1cccc(c1)Br 7a_100000687537_100000210303 [0,2,0,0,0,0|2,0,0]=4 9648 B12R1.28 CCCOCc1cccc(c1)C 34a_100000210258_100000211840 [0,2,0,0,0,0|2,0,0]=4 9649 B12R1.28 CCCOCc1cccc(c1)C 34a_100011217746_100000210303 [0,2,0,0,0,0|2,0,0]=4 9650 B12R1.28 CCCOCc1cccc(c1)C 7a_100011217746_100000210303 [0,2,0,0,0,0|2,0,0]=4 9651 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000210258_100000187163 [0,2,0,0,0,0|2,0,0]=4 9652 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000241301_100000210303 [0,2,0,0,0,0|2,0,0]=4 9653 B12R1.28 CCCOCc1cccc(c1)Cl 7a_100000241301_100000210303 [0,2,0,0,0,0|2,0,0]=4 9654 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210258_100000187166 [0,2,0,0,0,0|2,0,0]=4 9655 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210976_100000210303 [0,2,0,0,0,0|2,0,0]=4 9656 B12R1.28 CCCOCc1cccc(c1)F 7a_100000210976_100000210303 [0,2,0,0,0,0|2,0,0]=4 9657 B12R1.28 CCCOCc1cccc(c1)I 34a_100000210258_100011218688 [0,2,0,0,0,0|2,0,0]=4 9658 B12R1.28 CCCOCc1cccc(c1)I 34a_100011215336_100000210303 [0,2,0,0,0,0|2,0,0]=4 9659 B12R1.28 CCCOCc1cccc(c1)I 7a_100011215336_100000210303 [0,2,0,0,0,0|2,0,0]=4 9660 B12R1.28 CCCOCc1cccc(c1)N 34a_100000211919_100000210303 [0,2,0,0,0,0|2,0,0]=4 9661 B12R1.28 CCCOCc1cccc(c1)O 34a_100000210258_100011660834 [0,2,0,0,0,0|2,0,0]=4 9662 B12R1.28 CCCOCc1cccc(n1)Br 34a_100000210258_100009889011 [0,2,0,0,0,0|1,0,0]=3 9663 B12R1.28 CCCOCc1cccc(n1)Br 34a_100000694195_100000210303 [0,2,0,0,0,0|1,0,0]=3 9664 B12R1.28 CCCOCc1cccc(n1)C 34a_100000210258_100000757606 [0,2,0,0,0,0|1,0,0]=3 9665 B12R1.28 CCCOCc1cccc(n1)C 34a_100000690600_100000210303 [0,2,0,0,0,0|1,0,0]=3 9666 B12R1.28 CCCOCc1cccc(n1)Cl 34a_100000210258_100000086093 [0,2,0,0,0,0|1,0,0]=3 9667 B12R1.28 CCCOCc1cccc(n1)Cl 34a_100011998359_100000210303 [0,2,0,0,0,0|1,0,0]=3 9668 B12R1.28 CCCOCc1cccc(n1)F 34a_100000086748_100000210303 [0,2,0,0,0,0|1,0,0]=3 9669 B12R1.28 CCCOCc1cccc(n1)F 34a_100000210258_100009819644 [0,2,0,0,0,0|1,0,0]=3 9670 B12R1.28 CCCOCc1ccnc(n1)Cl 34a_100000210258_100000099655 [0,2,0,0,0,0|2,0,0]=4 9671 B12R1.28 CCCSCc1cc(ccn1)Br 62a_100000210303_100010173614 [0,2,0,0,0,0|1,0,0]=3 9672 B12R1.28 CCCSCc1cc(ccn1)Br 62a_100010173614_100000210303 [0,2,0,0,0,0|1,0,0]=3 9673 B12R1.28 CCCSCc1cc(ccn1)C 62a_100000210303_100000718516 [0,2,0,0,0,0|1,0,0]=3 9674 B12R1.28 CCCSCc1cc(ccn1)C 62a_100000718516_100000210303 [0,2,0,0,0,0|1,0,0]=3 9675 B12R1.28 CCCSCc1cc(ccn1)Cl 62a_100000210303_100016988179 [0,2,0,0,0,0|1,0,0]=3 9676 B12R1.28 CCCSCc1cc(ccn1)Cl 62a_100016988179_100000210303 [0,2,0,0,0,0|1,0,0]=3 9677 B12R1.28 CCCSCc1cccc(c1)Br 62a_100000210303_100000211773 [0,2,0,0,0,0|2,0,0]=4 9678 B12R1.28 CCCSCc1cccc(c1)Br 62a_100000211773_100000210303 [0,2,0,0,0,0|2,0,0]=4 9679 B12R1.28 CCCSCc1cccc(c1)C 62a_100000210303_100000211840 [0,2,0,0,0,0|2,0,0]=4 9680 B12R1.28 CCCSCc1cccc(c1)C 62a_100000211840_100000210303 [0,2,0,0,0,0|2,0,0]=4 9681 B12R1.28 CCCSCc1cccc(c1)Cl 62a_100000187163_100000210303 [0,2,0,0,0,0|2,0,0]=4 9682 B12R1.28 CCCSCc1cccc(c1)Cl 62a_100000210303_100000187163 [0,2,0,0,0,0|2,0,0]=4 9683 B12R1.28 CCCSCc1cccc(c1)F 62a_100000210303_100000230114 [0,2,0,0,0,0|2,0,0]=4 9684 B12R1.28 CCCSCc1cccc(c1)F 62a_100000230114_100000210303 [0,2,0,0,0,0|2,0,0]=4 9685 B12R1.28 CCCSCc1cccc(c1)I 62a_100000210303_100011218688 [0,2,0,0,0,0|2,0,0]=4 9686 B12R1.28 CCCSCc1cccc(c1)I 62a_100011218688_100000210303 [0,2,0,0,0,0|2,0,0]=4 9687 B12R1.28 CCCSCc1cccc(c1)O 62a_100000210303_100011660834 [0,2,0,0,0,0|2,0,0]=4 9688 B12R1.28 CCCSCc1cccc(c1)O 62a_100011660834_100000210303 [0,2,0,0,0,0|2,0,0]=4 9689 B12R1.28 CCCSCc1cccc(n1)Br 62a_100000210303_100009889011 [0,2,0,0,0,0|1,0,0]=3 9690 B12R1.28 CCCSCc1cccc(n1)Br 62a_100009889011_100000210303 [0,2,0,0,0,0|1,0,0]=3 9691 B12R1.28 CCCSCc1cccc(n1)C 62a_100000210303_100000757606 [0,2,0,0,0,0|1,0,0]=3 9692 B12R1.28 CCCSCc1cccc(n1)C 62a_100000757606_100000210303 [0,2,0,0,0,0|1,0,0]=3 9693 B12R1.28 CCCSCc1cccc(n1)Cl 62a_100000086093_100000210303 [0,2,0,0,0,0|1,0,0]=3 9694 B12R1.28 CCCSCc1cccc(n1)Cl 62a_100000210303_100000086093 [0,2,0,0,0,0|1,0,0]=3 9695 B12R1.28 CCCSCc1cccc(n1)F 62a_100000210303_100009819644 [0,2,0,0,0,0|1,0,0]=3 9696 B12R1.28 CCCSCc1cccc(n1)F 62a_100009819644_100000210303 [0,2,0,0,0,0|1,0,0]=3 9697 B12R1.28 CCCSCc1ccnc(n1)Cl 62a_100000099655_100000210303 [0,2,0,0,0,0|2,0,0]=4 9698 B12R1.28 CCCSCc1ccnc(n1)Cl 62a_100000210303_100000099655 [0,2,0,0,0,0|2,0,0]=4 9699 B12R1.28 CCNCCc1cccc(c1)Br 2230a_100011207229_100000210202 [0,2,0,0,0,0|1,0,0]=3 9700 B12R1.28 CCNCCc1cccc(c1)Br 2230a_100015525214_100011740638 [0,2,0,0,0,0|1,0,0]=3 9701 B12R1.28 CCNCCc1cccc(c1)Br 34a_100011207229_100000210202 [0,2,0,0,0,0|1,0,0]=3 9702 B12R1.28 CCNCCc1cccc(c1)C 2230a_100000749837_100000210202 [0,2,0,0,0,0|1,0,0]=3 9703 B12R1.28 CCNCCc1cccc(c1)C 2230a_100015525214_100011713685 [0,2,0,0,0,0|1,0,0]=3 9704 B12R1.28 CCNCCc1cccc(c1)C 34a_100000749837_100000210202 [0,2,0,0,0,0|1,0,0]=3 9705 B12R1.28 CCNCCc1cccc(c1)Cl 2230a_100000185263_100000210202 [0,2,0,0,0,0|1,0,0]=3 9706 B12R1.28 CCNCCc1cccc(c1)Cl 2230a_100015525214_100011713710 [0,2,0,0,0,0|1,0,0]=3 9707 B12R1.28 CCNCCc1cccc(c1)Cl 34a_100000185263_100000210202 [0,2,0,0,0,0|1,0,0]=3 9708 B12R1.28 CCNCCc1cccc(c1)F 2230a_100000205154_100000210202 [0,2,0,0,0,0|1,0,0]=3 9709 B12R1.28 CCNCCc1cccc(c1)F 2230a_100015525214_100011217235 [0,2,0,0,0,0|1,0,0]=3 9710 B12R1.28 CCNCCc1cccc(c1)F 34a_100000205154_100000210202 [0,2,0,0,0,0|1,0,0]=3 9711 B12R1.28 CCNCCc1cccc(c1)O 2230a_100000747277_100000210202 [0,2,0,0,0,0|1,0,0]=3 9712 B12R1.28 CCNCCc1cccc(c1)O 34a_100000747277_100000210202 [0,2,0,0,0,0|1,0,0]=3 9713 B12R1.28 CCNCCc1cccc(n1)C 2230a_100011824523_100000210202 [0,2,0,0,0,0|0,0,0]=2 9714 B12R1.28 CCNCCc1cccc(n1)C 34a_100011824523_100000210202 [0,2,0,0,0,0|0,0,0]=2 9715 B12R1.28 CCNN=Cc1cc(ccn1)Br 4a_100000756455_100009818557 [0,2,0,0,0,0|1,0,1]=4 9716 B12R1.28 CCNN=Cc1cc(ccn1)C 4a_100000756455_100011361488 [0,2,0,0,0,0|1,0,1]=4 9717 B12R1.28 CCNN=Cc1cc(ccn1)Cl 4a_100000756455_100011998288 [0,2,0,0,0,0|1,0,1]=4 9718 B12R1.28 CCNN=Cc1cccc(n1)Br 4a_100000756455_100000688028 [0,2,0,0,0,0|1,0,1]=4 9719 B12R1.28 CCNN=Cc1cccc(n1)C 4a_100000756455_100011215050 [0,2,0,0,0,0|1,0,1]=4 9720 B12R1.28 CCNN=Cc1cccc(n1)Cl 4a_100000756455_100011361687 [0,2,0,0,0,0|1,0,1]=4 9721 B12R1.28 CCNN=Cc1cccc(n1)F 4a_100000756455_100000050434 [0,2,0,0,0,0|1,0,1]=4 9722 B12R1.28 CCOCCc1cccc(c1)Br 34a_100011217444_100000210202 [0,2,0,0,0,0|2,0,0]=4 9723 B12R1.28 CCOCCc1cccc(c1)Br 34a_100121572206_100011740638 [0,2,0,0,0,0|2,0,0]=4 9724 B12R1.28 CCOCCc1cccc(c1)Br 7a_100011217444_100000210202 [0,2,0,0,0,0|2,0,0]=4 9725 B12R1.28 CCOCCc1cccc(c1)C 34a_100011217157_100000210202 [0,2,0,0,0,0|2,0,0]=4 9726 B12R1.28 CCOCCc1cccc(c1)C 34a_100121572206_100011713685 [0,2,0,0,0,0|2,0,0]=4 9727 B12R1.28 CCOCCc1cccc(c1)C 7a_100011217157_100000210202 [0,2,0,0,0,0|2,0,0]=4 9728 B12R1.28 CCOCCc1cccc(c1)Cl 34a_100000754733_100000210202 [0,2,0,0,0,0|2,0,0]=4 9729 B12R1.28 CCOCCc1cccc(c1)Cl 34a_100121572206_100011713710 [0,2,0,0,0,0|2,0,0]=4 9730 B12R1.28 CCOCCc1cccc(c1)Cl 7a_100000754733_100000210202 [0,2,0,0,0,0|2,0,0]=4 9731 B12R1.28 CCOCCc1cccc(c1)F 34a_100000763591_100000210202 [0,2,0,0,0,0|2,0,0]=4 9732 B12R1.28 CCOCCc1cccc(c1)F 34a_100121572206_100011217235 [0,2,0,0,0,0|2,0,0]=4 9733 B12R1.28 CCOCCc1cccc(c1)F 7a_100000763591_100000210202 [0,2,0,0,0,0|2,0,0]=4 9734 B12R1.28 CCOCCc1cccc(c1)N 34a_100011996697_100000210202 [0,2,0,0,0,0|2,0,0]=4 9735 B12R1.28 CCOCCc1cccc(n1)Br 34a_100010221043_100000210202 [0,2,0,0,0,0|1,0,0]=3 9736 B12R1.28 CCOCCc1cccc(n1)Br 7a_100010221043_100000210202 [0,2,0,0,0,0|1,0,0]=3 9737 B12R1.28 CCOCSc1cc(ccn1)C 62a_100000739092_100000750283 [0,2,0,0,0,0|2,0,0]=4 9738 B12R1.28 CCOCSc1cc(ccn1)C 62a_100000750283_100000739092 [0,2,0,0,0,0|2,0,0]=4 9739 B12R1.28 CCOCSc1cc(ccn1)Cl 62a_100000739092_100010167805 [0,2,0,0,0,0|2,0,0]=4 9740 B12R1.28 CCOCSc1cc(ccn1)Cl 62a_100010167805_100000739092 [0,2,0,0,0,0|2,0,0]=4 9741 B12R1.28 CCOCSc1cc(ccn1)F 62a_100000739092_100000764206 [0,2,0,0,0,0|2,0,0]=4 9742 B12R1.28 CCOCSc1cc(ccn1)F 62a_100000764206_100000739092 [0,2,0,0,0,0|2,0,0]=4 9743 B12R1.28 CCOCSc1cc(ccn1)N 62a_100000739092_100009814236 [0,2,0,0,0,0|2,0,0]=4 9744 B12R1.28 CCOCSc1cc(ccn1)N 62a_100009814236_100000739092 [0,2,0,0,0,0|2,0,0]=4 9745 B12R1.28 CCOCSc1cc(ccn1)O 62a_100000739092_100000762945 [0,2,0,0,0,0|2,0,0]=4 9746 B12R1.28 CCOCSc1cccc(n1)Br 62a_100000684672_100000739092 [0,2,0,0,0,0|2,0,0]=4 9747 B12R1.28 CCOCSc1cccc(n1)Br 62a_100000739092_100000684672 [0,2,0,0,0,0|2,0,0]=4 9748 B12R1.28 CCOCSc1cccc(n1)C 62a_100000739092_100000742759 [0,2,0,0,0,0|2,0,0]=4 9749 B12R1.28 CCOCSc1cccc(n1)C 62a_100000742759_100000739092 [0,2,0,0,0,0|2,0,0]=4 9750 B12R1.28 CCOCSc1cccc(n1)Cl 62a_100000051397_100000739092 [0,2,0,0,0,0|2,0,0]=4 9751 B12R1.28 CCOCSc1cccc(n1)Cl 62a_100000739092_100000051397 [0,2,0,0,0,0|2,0,0]=4 9752 B12R1.28 CCOCSc1cccc(n1)F 62a_100000739092_100009815982 [0,2,0,0,0,0|2,0,0]=4 9753 B12R1.28 CCOCSc1cccc(n1)F 62a_100009815982_100000739092 [0,2,0,0,0,0|2,0,0]=4 9754 B12R1.28 CCOCSc1cccc(n1)N 62a_100000739092_100000740741 [0,2,0,0,0,0|2,0,0]=4 9755 B12R1.28 CCOCSc1cccc(n1)N 62a_100000740741_100000739092 [0,2,0,0,0,0|2,0,0]=4 9756 B12R1.28 CCSCCc1cccc(c1)Br 62a_100000210202_100011740638 [0,2,0,0,0,0|2,0,0]=4 9757 B12R1.28 CCSCCc1cccc(c1)Br 62a_100011740638_100000210202 [0,2,0,0,0,0|2,0,0]=4 9758 B12R1.28 CCSCCc1cccc(c1)C 62a_100000210202_100011713685 [0,2,0,0,0,0|2,0,0]=4 9759 B12R1.28 CCSCCc1cccc(c1)C 62a_100011713685_100000210202 [0,2,0,0,0,0|2,0,0]=4 9760 B12R1.28 CCSCCc1cccc(c1)Cl 62a_100000210202_100011713710 [0,2,0,0,0,0|2,0,0]=4 9761 B12R1.28 CCSCCc1cccc(c1)Cl 62a_100011713710_100000210202 [0,2,0,0,0,0|2,0,0]=4 9762 B12R1.28 CCSCCc1cccc(c1)F 62a_100000210202_100011217235 [0,2,0,0,0,0|2,0,0]=4 9763 B12R1.28 CCSCCc1cccc(c1)F 62a_100011217235_100000210202 [0,2,0,0,0,0|2,0,0]=4 9764 B12R1.28 CNCC#Cc1cccc(c1)Br 2230a_106832991635_100010706776 [0,2,0,0,0,0|1,0,1]=4 9765 B12R1.28 CNCC#Cc1cccc(c1)Br 34a_100102657272_100010706776 [0,2,0,0,0,0|1,0,1]=4 9766 B12R1.28 CNCC#Cc1cccc(c1)Br 7a_106832991635_100010706776 [0,2,0,0,0,0|1,0,1]=4 9767 B12R1.28 CNCC#Cc1cccc(c1)F 2230a_106832991635_100010402994 [0,2,0,0,0,0|1,0,1]=4 9768 B12R1.28 CNCC#Cc1cccc(c1)F 34a_100102657272_100010402994 [0,2,0,0,0,0|1,0,1]=4 9769 B12R1.28 CNCC#Cc1cccc(c1)F 7a_106832991635_100010402994 [0,2,0,0,0,0|1,0,1]=4 9770 B12R1.28 CNCC=Cc1cccc(c1)C 270004a_106832991635_100102525846 [0,2,0,0,0,0|1,0,1]=4 9771 B12R1.28 CNCC=Cc1cccc(c1)Cl 270004a_106832991635_100016268971 [0,2,0,0,0,0|1,0,1]=4 9772 B12R1.28 CNCCCc1cccc(c1)Br 2230a_100000753791_200000210301 [0,2,0,0,0,0|1,0,0]=3 9773 B12R1.28 CNCCCc1cccc(c1)Br 2230a_106832991635_100011713683 [0,2,0,0,0,0|1,0,0]=3 9774 B12R1.28 CNCCCc1cccc(c1)Br 34a_100000753791_200000210301 [0,2,0,0,0,0|1,0,0]=3 9775 B12R1.28 CNCCCc1cccc(c1)Br 34a_100102657272_100011713683 [0,2,0,0,0,0|1,0,0]=3 9776 B12R1.28 CNCCCc1cccc(c1)Br 7a_106832991635_100011713683 [0,2,0,0,0,0|1,0,0]=3 9777 B12R1.28 CNCCCc1cccc(c1)C 2230a_103496528808_200000210301 [0,2,0,0,0,0|1,0,0]=3 9778 B12R1.28 CNCCCc1cccc(c1)C 34a_103496528808_200000210301 [0,2,0,0,0,0|1,0,0]=3 9779 B12R1.28 CNCCCc1cccc(c1)Cl 2230a_100000704586_200000210301 [0,2,0,0,0,0|1,0,0]=3 9780 B12R1.28 CNCCCc1cccc(c1)Cl 34a_100000704586_200000210301 [0,2,0,0,0,0|1,0,0]=3 9781 B12R1.28 CNCCCc1cccc(c1)F 2230a_100000754185_200000210301 [0,2,0,0,0,0|1,0,0]=3 9782 B12R1.28 CNCCCc1cccc(c1)F 2230a_106832991635_200000698031 [0,2,0,0,0,0|1,0,0]=3 9783 B12R1.28 CNCCCc1cccc(c1)F 34a_100000754185_200000210301 [0,2,0,0,0,0|1,0,0]=3 9784 B12R1.28 CNCCCc1cccc(c1)F 34a_100102657272_200000698031 [0,2,0,0,0,0|1,0,0]=3 9785 B12R1.28 CNCCCc1cccc(c1)F 7a_106832991635_200000698031 [0,2,0,0,0,0|1,0,0]=3 9786 B12R1.28 CNCCOc1cccc(c1)Br 2230a_100000743521_200000210301 [0,2,0,0,0,0|1,0,0]=3 9787 B12R1.28 CNCCOc1cccc(c1)Br 2230a_106832991635_100000183150 [0,2,0,0,0,0|1,0,0]=3 9788 B12R1.28 CNCCOc1cccc(c1)Br 34a_100000743521_200000210301 [0,2,0,0,0,0|1,0,0]=3 9789 B12R1.28 CNCCOc1cccc(c1)Br 34a_100102657272_100000183150 [0,2,0,0,0,0|1,0,0]=3 9790 B12R1.28 CNCCOc1cccc(c1)Br 7a_106832991635_100000183150 [0,2,0,0,0,0|1,0,0]=3 9791 B12R1.28 CNCCOc1cccc(c1)C 2230a_100015185188_200000210301 [0,2,0,0,0,0|1,0,0]=3 9792 B12R1.28 CNCCOc1cccc(c1)C 34a_100015185188_200000210301 [0,2,0,0,0,0|1,0,0]=3 9793 B12R1.28 CNCCOc1cccc(c1)Cl 2230a_100000740232_200000210301 [0,2,0,0,0,0|1,0,0]=3 9794 B12R1.28 CNCCOc1cccc(c1)Cl 2230a_106832991635_100000181161 [0,2,0,0,0,0|1,0,0]=3 9795 B12R1.28 CNCCOc1cccc(c1)Cl 34a_100000740232_200000210301 [0,2,0,0,0,0|1,0,0]=3 9796 B12R1.28 CNCCOc1cccc(c1)Cl 34a_100102657272_100000181161 [0,2,0,0,0,0|1,0,0]=3 9797 B12R1.28 CNCCOc1cccc(c1)Cl 7a_106832991635_100000181161 [0,2,0,0,0,0|1,0,0]=3 9798 B12R1.28 CNCCOc1cccc(c1)F 2230a_100000738948_200000210301 [0,2,0,0,0,0|1,0,0]=3 9799 B12R1.28 CNCCOc1cccc(c1)F 2230a_106832991635_100000739188 [0,2,0,0,0,0|1,0,0]=3 9800 B12R1.28 CNCCOc1cccc(c1)F 34a_100000738948_200000210301 [0,2,0,0,0,0|1,0,0]=3 9801 B12R1.28 CNCCOc1cccc(c1)F 34a_100102657272_100000739188 [0,2,0,0,0,0|1,0,0]=3 9802 B12R1.28 CNCCOc1cccc(c1)F 7a_106832991635_100000739188 [0,2,0,0,0,0|1,0,0]=3 9803 B12R1.28 CNCCOc1cccc(c1)O 271570a_203496583355_200000225663 [0,2,0,0,0,0|1,0,0]=3 9804 B12R1.28 COCC=Cc1cc(ccn1)C 271570a_100016286323_100000750283 [0,2,0,0,0,0|1,0,1]=4 9805 B12R1.28 COCC=Cc1cc(ccn1)Cl 271570a_100016286323_100010167805 [0,2,0,0,0,0|1,0,1]=4 9806 B12R1.28 COCC=Cc1cc(ccn1)F 271570a_100016286323_100009817058 [0,2,0,0,0,0|1,0,1]=4 9807 B12R1.28 COCC=Cc1cc(ccn1)N 271570a_100016286323_100009814236 [0,2,0,0,0,0|1,0,1]=4 9808 B12R1.28 COCC=Cc1cc(ccn1)O 271570a_100016286323_100000762945 [0,2,0,0,0,0|1,0,1]=4 9809 B12R1.28 COCC=Cc1cccc(n1)Br 271570a_100016286323_100000684672 [0,2,0,0,0,0|1,0,1]=4 9810 B12R1.28 COCC=Cc1cccc(n1)C 271570a_100016286323_100000742759 [0,2,0,0,0,0|1,0,1]=4 9811 B12R1.28 COCC=Cc1cccc(n1)F 271570a_100016286323_100009815982 [0,2,0,0,0,0|1,0,1]=4 9812 B12R1.28 COCC=Cc1cccc(n1)N 271570a_100016286323_100000740741 [0,2,0,0,0,0|1,0,1]=4 9813 B12R1.28 COCCCc1cccc(c1)Br 34a_100011709248_200000210301 [0,2,0,0,0,0|2,0,0]=4 9814 B12R1.28 COCCCc1cccc(c1)Br 34a_100138415774_100011713683 [0,2,0,0,0,0|2,0,0]=4 9815 B12R1.28 COCCCc1cccc(c1)Br 7a_100011709248_200000210301 [0,2,0,0,0,0|2,0,0]=4 9816 B12R1.28 COCCCc1cccc(c1)Cl 34a_100011709246_200000210301 [0,2,0,0,0,0|2,0,0]=4 9817 B12R1.28 COCCCc1cccc(c1)Cl 7a_100011709246_200000210301 [0,2,0,0,0,0|2,0,0]=4 9818 B12R1.28 COCCCc1cccc(c1)F 34a_100138415774_200000698031 [0,2,0,0,0,0|2,0,0]=4 9819 B12R1.28 COCCCc1cccc(c1)N 34a_200000698965_200000210301 [0,2,0,0,0,0|2,0,0]=4 9820 B12R1.28 COCCCc1cccc(c1)N 7a_200000698965_200000210301 [0,2,0,0,0,0|2,0,0]=4 9821 B12R1.28 COCCCc1cccc(n1)C 34a_100000211354_200000210301 [0,2,0,0,0,0|1,0,0]=3 9822 B12R1.28 COCCNc1c[n+](ccn1)[O-] 27a_100000209980_100009880115 [0,2,0,0,0,0|2,0,0]=4 9823 B12R1.28 COCCNc1cc(ccn1)F 27a_100000209980_100000764206 [0,2,0,0,0,0|1,0,0]=3 9824 B12R1.28 COCCNc1cc(cnn1)C 27a_100000209980_100000070100 [0,2,0,0,0,0|2,0,0]=4 9825 B12R1.28 COCCNc1cc(ncn1)C 27a_100000209980_100000744208 [0,2,0,0,0,0|2,0,0]=4 9826 B12R1.28 COCCNc1cc(ncn1)F 27a_100000209980_200009880791 [0,2,0,0,0,0|2,0,0]=4 9827 B12R1.28 COCCNc1cc(ncn1)N 27a_100000209980_100000701291 [0,2,0,0,0,0|2,0,0]=4 9828 B12R1.28 COCCNc1cc(ncn1)O 27a_100000209980_100000765262 [0,2,0,0,0,0|2,0,0]=4 9829 B12R1.28 COCCNc1cc[nH]c(=O)n1 27a_100000209980_200000134032 [0,2,0,0,0,0|2,0,0]=4 9830 B12R1.28 COCCNc1cccc(c1)Br 34a_100000210019_100011201679 [0,2,0,0,0,0|2,0,0]=4 9831 B12R1.28 COCCNc1cccc(c1)C 2230a_100000188690_100011201679 [0,2,0,0,0,0|2,0,0]=4 9832 B12R1.28 COCCNc1cccc(c1)C 34a_100000188690_100011201679 [0,2,0,0,0,0|2,0,0]=4 9833 B12R1.28 COCCNc1cccc(c1)Cl 34a_100000185859_100011201679 [0,2,0,0,0,0|2,0,0]=4 9834 B12R1.28 COCCNc1cccc(c1)F 34a_100000210047_100011201679 [0,2,0,0,0,0|2,0,0]=4 9835 B12R1.28 COCCNc1cccc(c1)I 34a_100000211102_100011201679 [0,2,0,0,0,0|2,0,0]=4 9836 B12R1.28 COCCNc1cccc(c1)O 34a_100000210217_100011201679 [0,2,0,0,0,0|2,0,0]=4 9837 B12R1.28 COCCNc1cccc(n1)F 27a_100000209980_100009815982 [0,2,0,0,0,0|1,0,0]=3 9838 B12R1.28 COCCNc1cccc(n1)F 34a_200011432718_200000210301 [0,2,0,0,0,0|1,0,0]=3 9839 B12R1.28 COCCNc1ccnc(n1)C 27a_100000209980_100000749937 [0,2,0,0,0,0|2,0,0]=4 9840 B12R1.28 COCCNc1ccnc(n1)N 27a_100000209980_100000055538 [0,2,0,0,0,0|2,0,0]=4 9841 B12R1.28 COCCNc1cncc(n1)C 27a_100000209980_100000754123 [0,2,0,0,0,0|2,0,0]=4 9842 B12R1.28 COCCNc1cncc(n1)Cl 27a_100000209980_100010892449 [0,2,0,0,0,0|2,0,0]=4 9843 B12R1.28 COCCNc1cncc(n1)F 27a_100000209980_200009863489 [0,2,0,0,0,0|2,0,0]=4 9844 B12R1.28 COCCNc1nccc(n1)C 27a_100000209980_100000750684 [0,2,0,0,0,0|2,0,0]=4 9845 B12R1.28 COCCNc1nccc(n1)N 27a_100000209980_100000757536 [0,2,0,0,0,0|2,0,0]=4 9846 B12R1.28 COCCNc1nccc(n1)O 27a_100000209980_100011649813 [0,2,0,0,0,0|2,0,0]=4 9847 B12R1.28 COCCOc1cc(ccn1)O 271570a_203496583355_200010734593 [0,2,0,0,0,0|1,0,0]=3 9848 B12R1.28 COCCOc1cc(cnn1)C 34a_100000766097_100011201679 [0,2,0,0,0,0|2,0,0]=4 9849 B12R1.28 COCCOc1cccc(=O)[nH]1 34a_100000033347_100011201679 [0,2,0,0,0,0|1,0,1]=4 9850 B12R1.28 COCCOc1cccc(c1)Br 34a_100000210342_100011201679 [0,2,0,0,0,0|2,0,0]=4 9851 B12R1.28 COCCOc1cccc(c1)Br 34a_100000757546_200000210301 [0,2,0,0,0,0|2,0,0]=4 9852 B12R1.28 COCCOc1cccc(c1)Br 34a_100138415774_100000183150 [0,2,0,0,0,0|2,0,0]=4 9853 B12R1.28 COCCOc1cccc(c1)Br 7a_100000210342_100000233755 [0,2,0,0,0,0|2,0,0]=4 9854 B12R1.28 COCCOc1cccc(c1)Br 7a_100000757546_200000210301 [0,2,0,0,0,0|2,0,0]=4 9855 B12R1.28 COCCOc1cccc(c1)C 34a_100000210337_100011201679 [0,2,0,0,0,0|2,0,0]=4 9856 B12R1.28 COCCOc1cccc(c1)C 34a_200011215094_200000210301 [0,2,0,0,0,0|2,0,0]=4 9857 B12R1.28 COCCOc1cccc(c1)C 7a_100000210337_100000233755 [0,2,0,0,0,0|2,0,0]=4 9858 B12R1.28 COCCOc1cccc(c1)C 7a_200011215094_200000210301 [0,2,0,0,0,0|2,0,0]=4 9859 B12R1.28 COCCOc1cccc(c1)Cl 34a_100000210295_100011201679 [0,2,0,0,0,0|2,0,0]=4 9860 B12R1.28 COCCOc1cccc(c1)Cl 34a_100000230539_200000210301 [0,2,0,0,0,0|2,0,0]=4 9861 B12R1.28 COCCOc1cccc(c1)Cl 34a_100138415774_100000181161 [0,2,0,0,0,0|2,0,0]=4 9862 B12R1.28 COCCOc1cccc(c1)Cl 7a_100000210295_100000233755 [0,2,0,0,0,0|2,0,0]=4 9863 B12R1.28 COCCOc1cccc(c1)Cl 7a_100000230539_200000210301 [0,2,0,0,0,0|2,0,0]=4 9864 B12R1.28 COCCOc1cccc(c1)F 34a_100000210426_100011201679 [0,2,0,0,0,0|2,0,0]=4 9865 B12R1.28 COCCOc1cccc(c1)F 34a_100138415774_100000739188 [0,2,0,0,0,0|2,0,0]=4 9866 B12R1.28 COCCOc1cccc(c1)F 7a_100000210426_100000233755 [0,2,0,0,0,0|2,0,0]=4 9867 B12R1.28 COCCOc1cccc(c1)I 34a_100000211634_100011201679 [0,2,0,0,0,0|2,0,0]=4 9868 B12R1.28 COCCOc1cccc(c1)I 7a_100000211634_100000233755 [0,2,0,0,0,0|2,0,0]=4 9869 B12R1.28 COCCOc1cccc(c1)N 34a_100000210217_100011201679 [0,2,0,0,0,0|2,0,0]=4 9870 B12R1.28 COCCOc1cccc(c1)N 34a_100011232151_200000210301 [0,2,0,0,0,0|2,0,0]=4 9871 B12R1.28 COCCOc1cccc(c1)O 271570a_203496583355_100000742273 [0,2,0,0,0,0|2,0,0]=4 9872 B12R1.28 COCCOc1cccc(n1)F 34a_100011432558_100011201679 [0,2,0,0,0,0|1,0,0]=3 9873 B12R1.28 COCCSc1c[n+](ccn1)[O-] 62a_100000233755_100009880115 [0,2,0,0,0,0|2,0,0]=4 9874 B12R1.28 COCCSc1cc(=O)[nH]cn1 62a_100012002517_100000233755 [0,2,0,0,0,0|2,0,0]=4 9875 B12R1.28 COCCSc1cc(=O)cc[nH]1 62a_100009817434_100000233755 [0,2,0,0,0,0|1,0,1]=4 9876 B12R1.28 COCCSc1cc(ccn1)C 62a_100000233755_100000750283 [0,2,0,0,0,0|1,0,0]=3 9877 B12R1.28 COCCSc1cc(ccn1)C 62a_100000750283_100000233755 [0,2,0,0,0,0|1,0,0]=3 9878 B12R1.28 COCCSc1cc(ccn1)Cl 62a_100000233755_100010167805 [0,2,0,0,0,0|1,0,0]=3 9879 B12R1.28 COCCSc1cc(ccn1)Cl 62a_100010167805_100000233755 [0,2,0,0,0,0|1,0,0]=3 9880 B12R1.28 COCCSc1cc(ccn1)F 62a_100000233755_100000764206 [0,2,0,0,0,0|1,0,0]=3 9881 B12R1.28 COCCSc1cc(ccn1)F 62a_100000764206_100000233755 [0,2,0,0,0,0|1,0,0]=3 9882 B12R1.28 COCCSc1cc(ccn1)N 62a_100000233755_100009814236 [0,2,0,0,0,0|1,0,0]=3 9883 B12R1.28 COCCSc1cc(ccn1)N 62a_100009814236_100000233755 [0,2,0,0,0,0|1,0,0]=3 9884 B12R1.28 COCCSc1cc(ccn1)O 62a_100000233755_100000762945 [0,2,0,0,0,0|1,0,0]=3 9885 B12R1.28 COCCSc1cc(cnn1)C 62a_100000070100_100000233755 [0,2,0,0,0,0|2,0,0]=4 9886 B12R1.28 COCCSc1cc(cnn1)C 62a_100000233755_100000070100 [0,2,0,0,0,0|2,0,0]=4 9887 B12R1.28 COCCSc1cc(cnn1)N 62a_100000233755_100011996757 [0,2,0,0,0,0|2,0,0]=4 9888 B12R1.28 COCCSc1cc(cnn1)N 62a_100011996757_100000233755 [0,2,0,0,0,0|2,0,0]=4 9889 B12R1.28 COCCSc1cc(cnn1)O 62a_100000233755_200010734679 [0,2,0,0,0,0|2,0,0]=4 9890 B12R1.28 COCCSc1cc(ncn1)C 62a_100000233755_100000744208 [0,2,0,0,0,0|2,0,0]=4 9891 B12R1.28 COCCSc1cc(ncn1)C 62a_100000744208_100000233755 [0,2,0,0,0,0|2,0,0]=4 9892 B12R1.28 COCCSc1cc(ncn1)Cl 62a_100000233755_100010161198 [0,2,0,0,0,0|2,0,0]=4 9893 B12R1.28 COCCSc1cc(ncn1)Cl 62a_100010161198_100000233755 [0,2,0,0,0,0|2,0,0]=4 9894 B12R1.28 COCCSc1cc(ncn1)F 62a_100000233755_200009880791 [0,2,0,0,0,0|2,0,0]=4 9895 B12R1.28 COCCSc1cc(ncn1)F 62a_200009880791_100000233755 [0,2,0,0,0,0|2,0,0]=4 9896 B12R1.28 COCCSc1cc(ncn1)N 62a_100000233755_100000701291 [0,2,0,0,0,0|2,0,0]=4 9897 B12R1.28 COCCSc1cc(ncn1)N 62a_100000701291_100000233755 [0,2,0,0,0,0|2,0,0]=4 9898 B12R1.28 COCCSc1cc(ncn1)O 62a_100000233755_100000765262 [0,2,0,0,0,0|2,0,0]=4 9899 B12R1.28 COCCSc1cc[nH]c(=O)n1 62a_100000233755_200000134032 [0,2,0,0,0,0|2,0,0]=4 9900 B12R1.28 COCCSc1cccc(=O)[nH]1 62a_100000233755_100000752884 [0,2,0,0,0,0|1,0,1]=4 9901 B12R1.28 COCCSc1cccc(c1)Br 62a_100000233755_100000691529 [0,2,0,0,0,0|2,0,0]=4 9902 B12R1.28 COCCSc1cccc(c1)Br 62a_100000691529_100000233755 [0,2,0,0,0,0|2,0,0]=4 9903 B12R1.28 COCCSc1cccc(c1)Br 7a_200011756134_200000210301 [0,2,0,0,0,0|2,0,0]=4 9904 B12R1.28 COCCSc1cccc(c1)C 34a_200011432187_200000210301 [0,2,0,0,0,0|2,0,0]=4 9905 B12R1.28 COCCSc1cccc(c1)C 62a_100000233755_100011215228 [0,2,0,0,0,0|2,0,0]=4 9906 B12R1.28 COCCSc1cccc(c1)C 62a_100011215228_100000233755 [0,2,0,0,0,0|2,0,0]=4 9907 B12R1.28 COCCSc1cccc(c1)C 7a_200011432187_200000210301 [0,2,0,0,0,0|2,0,0]=4 9908 B12R1.28 COCCSc1cccc(c1)Cl 34a_200011721761_200000210301 [0,2,0,0,0,0|2,0,0]=4 9909 B12R1.28 COCCSc1cccc(c1)Cl 62a_100000233755_100000699651 [0,2,0,0,0,0|2,0,0]=4 9910 B12R1.28 COCCSc1cccc(c1)Cl 62a_100000699651_100000233755 [0,2,0,0,0,0|2,0,0]=4 9911 B12R1.28 COCCSc1cccc(c1)Cl 7a_200011721761_200000210301 [0,2,0,0,0,0|2,0,0]=4 9912 B12R1.28 COCCSc1cccc(c1)F 34a_200011996949_200000210301 [0,2,0,0,0,0|2,0,0]=4 9913 B12R1.28 COCCSc1cccc(c1)F 62a_100000233755_100000685547 [0,2,0,0,0,0|2,0,0]=4 9914 B12R1.28 COCCSc1cccc(c1)F 62a_100000685547_100000233755 [0,2,0,0,0,0|2,0,0]=4 9915 B12R1.28 COCCSc1cccc(c1)F 7a_200011996949_200000210301 [0,2,0,0,0,0|2,0,0]=4 9916 B12R1.28 COCCSc1cccc(c1)N 62a_100000210019_100000233755 [0,2,0,0,0,0|2,0,0]=4 9917 B12R1.28 COCCSc1cccc(c1)N 62a_100000233755_100000210019 [0,2,0,0,0,0|2,0,0]=4 9918 B12R1.28 COCCSc1cccc(c1)O 271570a_203496583355_200009815756 [0,2,0,0,0,0|2,0,0]=4 9919 B12R1.28 COCCSc1cccc(c1)O 62a_100000233755_100000211634 [0,2,0,0,0,0|2,0,0]=4 9920 B12R1.28 COCCSc1cccc(c1)[S] 62a_100000233755_114929384022 [0,2,0,0,0,0|2,0,0]=4 9921 B12R1.28 COCCSc1cccc(c1)[S] 62a_114929384022_100000233755 [0,2,0,0,0,0|2,0,0]=4 9922 B12R1.28 COCCSc1cccc(n1)Br 62a_100000233755_100000684672 [0,2,0,0,0,0|1,0,0]=3 9923 B12R1.28 COCCSc1cccc(n1)Br 62a_100000684672_100000233755 [0,2,0,0,0,0|1,0,0]=3 9924 B12R1.28 COCCSc1cccc(n1)C 62a_100000233755_100000742759 [0,2,0,0,0,0|1,0,0]=3 9925 B12R1.28 COCCSc1cccc(n1)C 62a_100000742759_100000233755 [0,2,0,0,0,0|1,0,0]=3 9926 B12R1.28 COCCSc1cccc(n1)Cl 62a_100000051397_100000233755 [0,2,0,0,0,0|1,0,0]=3 9927 B12R1.28 COCCSc1cccc(n1)Cl 62a_100000233755_100000051397 [0,2,0,0,0,0|1,0,0]=3 9928 B12R1.28 COCCSc1cccc(n1)F 62a_100000233755_100009815982 [0,2,0,0,0,0|1,0,0]=3 9929 B12R1.28 COCCSc1cccc(n1)F 62a_100009815982_100000233755 [0,2,0,0,0,0|1,0,0]=3 9930 B12R1.28 COCCSc1cccc(n1)N 62a_100000233755_100000740741 [0,2,0,0,0,0|1,0,0]=3 9931 B12R1.28 COCCSc1cccc(n1)N 62a_100000740741_100000233755 [0,2,0,0,0,0|1,0,0]=3 9932 B12R1.28 COCCSc1ccnc(n1)C 62a_100000233755_100000749937 [0,2,0,0,0,0|2,0,0]=4 9933 B12R1.28 COCCSc1ccnc(n1)C 62a_100000749937_100000233755 [0,2,0,0,0,0|2,0,0]=4 9934 B12R1.28 COCCSc1ccnc(n1)Cl 62a_100000233755_100010154678 [0,2,0,0,0,0|2,0,0]=4 9935 B12R1.28 COCCSc1ccnc(n1)Cl 62a_100010154678_100000233755 [0,2,0,0,0,0|2,0,0]=4 9936 B12R1.28 COCCSc1ccnc(n1)N 62a_100000055538_100000233755 [0,2,0,0,0,0|2,0,0]=4 9937 B12R1.28 COCCSc1ccnc(n1)N 62a_100000233755_100000055538 [0,2,0,0,0,0|2,0,0]=4 9938 B12R1.28 COCCSc1cncc(n1)C 62a_100000233755_100000754123 [0,2,0,0,0,0|2,0,0]=4 9939 B12R1.28 COCCSc1cncc(n1)C 62a_100000754123_100000233755 [0,2,0,0,0,0|2,0,0]=4 9940 B12R1.28 COCCSc1cncc(n1)Cl 62a_100000233755_100010892449 [0,2,0,0,0,0|2,0,0]=4 9941 B12R1.28 COCCSc1cncc(n1)Cl 62a_100010892449_100000233755 [0,2,0,0,0,0|2,0,0]=4 9942 B12R1.28 COCCSc1cncc(n1)F 62a_100000233755_200009863489 [0,2,0,0,0,0|2,0,0]=4 9943 B12R1.28 COCCSc1cncc(n1)F 62a_200009863489_100000233755 [0,2,0,0,0,0|2,0,0]=4 9944 B12R1.28 COCCSc1cncc(n1)N 62a_100000233755_100000747728 [0,2,0,0,0,0|2,0,0]=4 9945 B12R1.28 COCCSc1cncc(n1)N 62a_100000747728_100000233755 [0,2,0,0,0,0|2,0,0]=4 9946 B12R1.28 COCCSc1cncc(n1)O 62a_100000233755_100011269956 [0,2,0,0,0,0|2,0,0]=4 9947 B12R1.28 COCCSc1nccc(n1)C 62a_100000233755_100011243806 [0,2,0,0,0,0|2,0,0]=4 9948 B12R1.28 COCCSc1nccc(n1)C 62a_100011243806_100000233755 [0,2,0,0,0,0|2,0,0]=4 9949 B12R1.28 COCCSc1nccc(n1)N 62a_100000233755_100000757536 [0,2,0,0,0,0|2,0,0]=4 9950 B12R1.28 COCCSc1nccc(n1)N 62a_100000757536_100000233755 [0,2,0,0,0,0|2,0,0]=4 9951 B12R1.28 COCCSc1nccc(n1)O 62a_100000233755_100011649813 [0,2,0,0,0,0|2,0,0]=4 9952 B12R1.28 COCNCc1cccc(=O)[nH]1 2230a_100000696482_100000766300 [0,2,0,0,0,0|1,0,1]=4 9953 B12R1.28 COCNCc1cccc(c1)Br 2230a_100000174977_100000766300 [0,2,0,0,0,0|2,0,0]=4 9954 B12R1.28 COCNCc1cccc(c1)C 2230a_100000185548_100000766300 [0,2,0,0,0,0|2,0,0]=4 9955 B12R1.28 COCNCc1cccc(c1)Cl 2230a_100000174878_100000766300 [0,2,0,0,0,0|2,0,0]=4 9956 B12R1.28 COCNCc1cccc(c1)F 2230a_100000174948_100000766300 [0,2,0,0,0,0|2,0,0]=4 9957 B12R1.28 COCNCc1cccc(c1)I 2230a_100000106179_100000766300 [0,2,0,0,0,0|2,0,0]=4 9958 B12R1.28 COCNCc1cccc(c1)O 2230a_100000743036_100000766300 [0,2,0,0,0,0|2,0,0]=4 9959 B12R1.28 COCNCc1cccc(n1)Br 2230a_100016987751_100000766300 [0,2,0,0,0,0|1,0,0]=3 9960 B12R1.28 COCNCc1cccc(n1)Cl 2230a_100016990191_100000766300 [0,2,0,0,0,0|1,0,0]=3 9961 B12R1.28 COCNCc1cccc(n1)F 2230a_100015188798_100000766300 [0,2,0,0,0,0|1,0,0]=3 9962 B12R1.28 COCNCc1nccc(n1)C 2230a_100015186494_100000766300 [0,2,0,0,0,0|2,0,0]=4 9963 B12R1.28 COCSCc1cc(ccn1)Br 62a_100000766300_100010173614 [0,2,0,0,0,0|1,0,0]=3 9964 B12R1.28 COCSCc1cc(ccn1)Br 62a_100010173614_100000766300 [0,2,0,0,0,0|1,0,0]=3 9965 B12R1.28 COCSCc1cc(ccn1)C 62a_100000718516_100000766300 [0,2,0,0,0,0|1,0,0]=3 9966 B12R1.28 COCSCc1cc(ccn1)C 62a_100000766300_100000718516 [0,2,0,0,0,0|1,0,0]=3 9967 B12R1.28 COCSCc1cc(ccn1)Cl 62a_100000766300_100016988179 [0,2,0,0,0,0|1,0,0]=3 9968 B12R1.28 COCSCc1cc(ccn1)Cl 62a_100016988179_100000766300 [0,2,0,0,0,0|1,0,0]=3 9969 B12R1.28 COCSCc1cccc(c1)Br 62a_100000211773_100000766300 [0,2,0,0,0,0|2,0,0]=4 9970 B12R1.28 COCSCc1cccc(c1)Br 62a_100000766300_100000211773 [0,2,0,0,0,0|2,0,0]=4 9971 B12R1.28 COCSCc1cccc(c1)C 62a_100000211840_100000766300 [0,2,0,0,0,0|2,0,0]=4 9972 B12R1.28 COCSCc1cccc(c1)C 62a_100000766300_100000211840 [0,2,0,0,0,0|2,0,0]=4 9973 B12R1.28 COCSCc1cccc(c1)Cl 62a_100000187163_100000766300 [0,2,0,0,0,0|2,0,0]=4 9974 B12R1.28 COCSCc1cccc(c1)Cl 62a_100000766300_100000187163 [0,2,0,0,0,0|2,0,0]=4 9975 B12R1.28 COCSCc1cccc(c1)F 62a_100000230114_100000766300 [0,2,0,0,0,0|2,0,0]=4 9976 B12R1.28 COCSCc1cccc(c1)F 62a_100000766300_100000230114 [0,2,0,0,0,0|2,0,0]=4 9977 B12R1.28 COCSCc1cccc(c1)I 62a_100000766300_100011218688 [0,2,0,0,0,0|2,0,0]=4 9978 B12R1.28 COCSCc1cccc(c1)I 62a_100011218688_100000766300 [0,2,0,0,0,0|2,0,0]=4 9979 B12R1.28 COCSCc1cccc(c1)O 62a_100000766300_100011660834 [0,2,0,0,0,0|2,0,0]=4 9980 B12R1.28 COCSCc1cccc(c1)O 62a_100011660834_100000766300 [0,2,0,0,0,0|2,0,0]=4 9981 B12R1.28 COCSCc1cccc(n1)Br 62a_100000766300_100009889011 [0,2,0,0,0,0|1,0,0]=3 9982 B12R1.28 COCSCc1cccc(n1)Br 62a_100009889011_100000766300 [0,2,0,0,0,0|1,0,0]=3 9983 B12R1.28 COCSCc1cccc(n1)C 62a_100000757606_100000766300 [0,2,0,0,0,0|1,0,0]=3 9984 B12R1.28 COCSCc1cccc(n1)C 62a_100000766300_100000757606 [0,2,0,0,0,0|1,0,0]=3 9985 B12R1.28 COCSCc1cccc(n1)Cl 62a_100000086093_100000766300 [0,2,0,0,0,0|1,0,0]=3 9986 B12R1.28 COCSCc1cccc(n1)Cl 62a_100000766300_100000086093 [0,2,0,0,0,0|1,0,0]=3 9987 B12R1.28 COCSCc1cccc(n1)F 62a_100000766300_100009819644 [0,2,0,0,0,0|1,0,0]=3 9988 B12R1.28 COCSCc1cccc(n1)F 62a_100009819644_100000766300 [0,2,0,0,0,0|1,0,0]=3 9989 B12R1.28 COCSCc1ccnc(n1)Cl 62a_100000099655_100000766300 [0,2,0,0,0,0|2,0,0]=4 9990 B12R1.28 COCSCc1ccnc(n1)Cl 62a_100000766300_100000099655 [0,2,0,0,0,0|2,0,0]=4 9991 B12R1.28 CSCCCc1cccc(c1)Br 62a_100011713683_200000210301 [0,2,0,0,0,0|2,0,0]=4 9992 B12R1.28 CSCCCc1cccc(c1)Br 62a_200000210301_100011713683 [0,2,0,0,0,0|2,0,0]=4 9993 B12R1.28 CSCCCc1cccc(c1)F 62a_200000210301_200000698031 [0,2,0,0,0,0|2,0,0]=4 9994 B12R1.28 CSCCCc1cccc(c1)F 62a_200000698031_200000210301 [0,2,0,0,0,0|2,0,0]=4 9995 B12R1.28 CSCCNc1c[n+](ccn1)[O-] 27a_100020590264_100009880115 [0,2,0,0,0,0|2,0,0]=4 9996 B12R1.28 CSCCNc1cc(ccn1)F 27a_100020590264_100000764206 [0,2,0,0,0,0|1,0,0]=3 9997 B12R1.28 CSCCNc1cc(cnn1)C 27a_100020590264_100000070100 [0,2,0,0,0,0|2,0,0]=4 9998 B12R1.28 CSCCNc1cc(ncn1)C 27a_100020590264_100000744208 [0,2,0,0,0,0|2,0,0]=4 9999 B12R1.28 CSCCNc1cc(ncn1)F 27a_100020590264_200009880791 [0,2,0,0,0,0|2,0,0]=4 10000 B12R1.28 CSCCNc1cc(ncn1)N 27a_100020590264_100000701291 [0,2,0,0,0,0|2,0,0]=4 10001 B12R1.28 CSCCNc1cc(ncn1)O 27a_100020590264_100000765262 [0,2,0,0,0,0|2,0,0]=4 10002 B12R1.28 CSCCNc1cc[nH]c(=O)n1 27a_100020590264_200000134032 [0,2,0,0,0,0|2,0,0]=4 10003 B12R1.28 CSCCNc1cccc(c1)Br 34a_100000210019_100000212216 [0,2,0,0,0,0|2,0,0]=4 10004 B12R1.28 CSCCNc1cccc(c1)C 2230a_100000188690_100000751147 [0,2,0,0,0,0|2,0,0]=4 10005 B12R1.28 CSCCNc1cccc(c1)C 34a_100000188690_100000212216 [0,2,0,0,0,0|2,0,0]=4 10006 B12R1.28 CSCCNc1cccc(c1)Cl 34a_100000185859_100000212216 [0,2,0,0,0,0|2,0,0]=4 10007 B12R1.28 CSCCNc1cccc(c1)F 34a_100000210047_100000212216 [0,2,0,0,0,0|2,0,0]=4 10008 B12R1.28 CSCCNc1cccc(c1)I 34a_100000211102_100000212216 [0,2,0,0,0,0|2,0,0]=4 10009 B12R1.28 CSCCNc1cccc(c1)O 34a_100000210217_100000212216 [0,2,0,0,0,0|2,0,0]=4 10010 B12R1.28 CSCCNc1cccc(n1)F 27a_100020590264_100009815982 [0,2,0,0,0,0|1,0,0]=3 10011 B12R1.28 CSCCNc1ccnc(n1)C 27a_100020590264_100000749937 [0,2,0,0,0,0|2,0,0]=4 10012 B12R1.28 CSCCNc1ccnc(n1)N 27a_100020590264_100000055538 [0,2,0,0,0,0|2,0,0]=4 10013 B12R1.28 CSCCNc1cncc(n1)C 27a_100020590264_100000754123 [0,2,0,0,0,0|2,0,0]=4 10014 B12R1.28 CSCCNc1cncc(n1)Cl 27a_100020590264_100010892449 [0,2,0,0,0,0|2,0,0]=4 10015 B12R1.28 CSCCNc1cncc(n1)F 27a_100020590264_200009863489 [0,2,0,0,0,0|2,0,0]=4 10016 B12R1.28 CSCCNc1nccc(n1)C 27a_100020590264_100000750684 [0,2,0,0,0,0|2,0,0]=4 10017 B12R1.28 CSCCNc1nccc(n1)N 27a_100020590264_100000757536 [0,2,0,0,0,0|2,0,0]=4 10018 B12R1.28 CSCCNc1nccc(n1)O 27a_100020590264_100011649813 [0,2,0,0,0,0|2,0,0]=4 10019 B12R1.28 CSCCOc1cc(cnn1)C 34a_100000766097_100000212216 [0,2,0,0,0,0|2,0,0]=4 10020 B12R1.28 CSCCOc1cccc(=O)[nH]1 34a_100000033347_100000212216 [0,2,0,0,0,0|1,0,1]=4 10021 B12R1.28 CSCCOc1cccc(c1)Br 34a_100000210342_100000212216 [0,2,0,0,0,0|2,0,0]=4 10022 B12R1.28 CSCCOc1cccc(c1)Br 62a_100000183150_200000210301 [0,2,0,0,0,0|2,0,0]=4 10023 B12R1.28 CSCCOc1cccc(c1)Br 62a_200000210301_100000183150 [0,2,0,0,0,0|2,0,0]=4 10024 B12R1.28 CSCCOc1cccc(c1)Br 7a_100000210342_100000212216 [0,2,0,0,0,0|2,0,0]=4 10025 B12R1.28 CSCCOc1cccc(c1)C 34a_100000210337_100000212216 [0,2,0,0,0,0|2,0,0]=4 10026 B12R1.28 CSCCOc1cccc(c1)C 7a_100000210337_100000212216 [0,2,0,0,0,0|2,0,0]=4 10027 B12R1.28 CSCCOc1cccc(c1)Cl 34a_100000210295_100000212216 [0,2,0,0,0,0|2,0,0]=4 10028 B12R1.28 CSCCOc1cccc(c1)Cl 62a_100000181161_200000210301 [0,2,0,0,0,0|2,0,0]=4 10029 B12R1.28 CSCCOc1cccc(c1)Cl 62a_200000210301_100000181161 [0,2,0,0,0,0|2,0,0]=4 10030 B12R1.28 CSCCOc1cccc(c1)Cl 7a_100000210295_100000212216 [0,2,0,0,0,0|2,0,0]=4 10031 B12R1.28 CSCCOc1cccc(c1)F 34a_100000210426_100000212216 [0,2,0,0,0,0|2,0,0]=4 10032 B12R1.28 CSCCOc1cccc(c1)F 62a_100000739188_200000210301 [0,2,0,0,0,0|2,0,0]=4 10033 B12R1.28 CSCCOc1cccc(c1)F 62a_200000210301_100000739188 [0,2,0,0,0,0|2,0,0]=4 10034 B12R1.28 CSCCOc1cccc(c1)F 7a_100000210426_100000212216 [0,2,0,0,0,0|2,0,0]=4 10035 B12R1.28 CSCCOc1cccc(c1)I 34a_100000211634_100000212216 [0,2,0,0,0,0|2,0,0]=4 10036 B12R1.28 CSCCOc1cccc(c1)I 7a_100000211634_100000212216 [0,2,0,0,0,0|2,0,0]=4 10037 B12R1.28 CSCCOc1cccc(c1)N 34a_100000210217_100000212216 [0,2,0,0,0,0|2,0,0]=4 10038 B12R1.28 CSCCOc1cccc(n1)F 34a_100011432558_100000212216 [0,2,0,0,0,0|1,0,0]=3 10039 B12R1.28 CSCCSc1c[n+](ccn1)[O-] 62a_100000212216_100009880115 [0,2,0,0,0,0|2,0,0]=4 10040 B12R1.28 CSCCSc1cc(=O)[nH]cn1 62a_100012002517_100000751147 [0,2,0,0,0,0|2,0,0]=4 10041 B12R1.28 CSCCSc1cc(=O)cc[nH]1 62a_100009817434_100000751147 [0,2,0,0,0,0|1,0,1]=4 10042 B12R1.28 CSCCSc1cc(ccn1)C 62a_100000212216_100000750283 [0,2,0,0,0,0|1,0,0]=3 10043 B12R1.28 CSCCSc1cc(ccn1)C 62a_100000750283_100000751147 [0,2,0,0,0,0|1,0,0]=3 10044 B12R1.28 CSCCSc1cc(ccn1)Cl 62a_100000212216_100010167805 [0,2,0,0,0,0|1,0,0]=3 10045 B12R1.28 CSCCSc1cc(ccn1)Cl 62a_100010167805_100000751147 [0,2,0,0,0,0|1,0,0]=3 10046 B12R1.28 CSCCSc1cc(ccn1)F 62a_100000212216_100000764206 [0,2,0,0,0,0|1,0,0]=3 10047 B12R1.28 CSCCSc1cc(ccn1)F 62a_100000764206_100000751147 [0,2,0,0,0,0|1,0,0]=3 10048 B12R1.28 CSCCSc1cc(ccn1)N 62a_100000212216_100009814236 [0,2,0,0,0,0|1,0,0]=3 10049 B12R1.28 CSCCSc1cc(ccn1)N 62a_100009814236_100000751147 [0,2,0,0,0,0|1,0,0]=3 10050 B12R1.28 CSCCSc1cc(ccn1)O 62a_100000212216_100000762945 [0,2,0,0,0,0|1,0,0]=3 10051 B12R1.28 CSCCSc1cc(cnn1)C 62a_100000070100_100000751147 [0,2,0,0,0,0|2,0,0]=4 10052 B12R1.28 CSCCSc1cc(cnn1)C 62a_100000212216_100000070100 [0,2,0,0,0,0|2,0,0]=4 10053 B12R1.28 CSCCSc1cc(cnn1)N 62a_100000212216_100011996757 [0,2,0,0,0,0|2,0,0]=4 10054 B12R1.28 CSCCSc1cc(cnn1)N 62a_100011996757_100000751147 [0,2,0,0,0,0|2,0,0]=4 10055 B12R1.28 CSCCSc1cc(cnn1)O 62a_100000212216_200010734679 [0,2,0,0,0,0|2,0,0]=4 10056 B12R1.28 CSCCSc1cc(ncn1)C 62a_100000212216_100000744208 [0,2,0,0,0,0|2,0,0]=4 10057 B12R1.28 CSCCSc1cc(ncn1)C 62a_100000744208_100000751147 [0,2,0,0,0,0|2,0,0]=4 10058 B12R1.28 CSCCSc1cc(ncn1)Cl 62a_100000212216_100010161198 [0,2,0,0,0,0|2,0,0]=4 10059 B12R1.28 CSCCSc1cc(ncn1)Cl 62a_100010161198_100000751147 [0,2,0,0,0,0|2,0,0]=4 10060 B12R1.28 CSCCSc1cc(ncn1)F 62a_100000212216_200009880791 [0,2,0,0,0,0|2,0,0]=4 10061 B12R1.28 CSCCSc1cc(ncn1)F 62a_200009880791_100000751147 [0,2,0,0,0,0|2,0,0]=4 10062 B12R1.28 CSCCSc1cc(ncn1)N 62a_100000212216_100000701291 [0,2,0,0,0,0|2,0,0]=4 10063 B12R1.28 CSCCSc1cc(ncn1)N 62a_100000701291_100000751147 [0,2,0,0,0,0|2,0,0]=4 10064 B12R1.28 CSCCSc1cc(ncn1)O 62a_100000212216_100000765262 [0,2,0,0,0,0|2,0,0]=4 10065 B12R1.28 CSCCSc1cc[nH]c(=O)n1 62a_100000212216_200000134032 [0,2,0,0,0,0|2,0,0]=4 10066 B12R1.28 CSCCSc1cccc(=O)[nH]1 62a_100000212216_100000752884 [0,2,0,0,0,0|1,0,1]=4 10067 B12R1.28 CSCCSc1cccc(c1)Br 62a_100000212216_100000691529 [0,2,0,0,0,0|2,0,0]=4 10068 B12R1.28 CSCCSc1cccc(c1)Br 62a_100000691529_100000751147 [0,2,0,0,0,0|2,0,0]=4 10069 B12R1.28 CSCCSc1cccc(c1)C 62a_100000212216_100011215228 [0,2,0,0,0,0|2,0,0]=4 10070 B12R1.28 CSCCSc1cccc(c1)C 62a_100011215228_100000751147 [0,2,0,0,0,0|2,0,0]=4 10071 B12R1.28 CSCCSc1cccc(c1)Cl 62a_100000212216_100000699651 [0,2,0,0,0,0|2,0,0]=4 10072 B12R1.28 CSCCSc1cccc(c1)Cl 62a_100000699651_100000751147 [0,2,0,0,0,0|2,0,0]=4 10073 B12R1.28 CSCCSc1cccc(c1)F 62a_100000212216_100000685547 [0,2,0,0,0,0|2,0,0]=4 10074 B12R1.28 CSCCSc1cccc(c1)F 62a_100000685547_100000751147 [0,2,0,0,0,0|2,0,0]=4 10075 B12R1.28 CSCCSc1cccc(c1)N 62a_100000210019_100000751147 [0,2,0,0,0,0|2,0,0]=4 10076 B12R1.28 CSCCSc1cccc(c1)N 62a_100000212216_100000210019 [0,2,0,0,0,0|2,0,0]=4 10077 B12R1.28 CSCCSc1cccc(c1)O 62a_100000212216_100000211634 [0,2,0,0,0,0|2,0,0]=4 10078 B12R1.28 CSCCSc1cccc(c1)[S] 62a_100000212216_114929384022 [0,2,0,0,0,0|2,0,0]=4 10079 B12R1.28 CSCCSc1cccc(c1)[S] 62a_114929384022_100000751147 [0,2,0,0,0,0|2,0,0]=4 10080 B12R1.28 CSCCSc1cccc(n1)Br 62a_100000212216_100000684672 [0,2,0,0,0,0|1,0,0]=3 10081 B12R1.28 CSCCSc1cccc(n1)Br 62a_100000684672_100000751147 [0,2,0,0,0,0|1,0,0]=3 10082 B12R1.28 CSCCSc1cccc(n1)C 62a_100000212216_100000742759 [0,2,0,0,0,0|1,0,0]=3 10083 B12R1.28 CSCCSc1cccc(n1)C 62a_100000742759_100000751147 [0,2,0,0,0,0|1,0,0]=3 10084 B12R1.28 CSCCSc1cccc(n1)Cl 62a_100000051397_100000751147 [0,2,0,0,0,0|1,0,0]=3 10085 B12R1.28 CSCCSc1cccc(n1)Cl 62a_100000212216_100000051397 [0,2,0,0,0,0|1,0,0]=3 10086 B12R1.28 CSCCSc1cccc(n1)F 62a_100000212216_100009815982 [0,2,0,0,0,0|1,0,0]=3 10087 B12R1.28 CSCCSc1cccc(n1)F 62a_100009815982_100000751147 [0,2,0,0,0,0|1,0,0]=3 10088 B12R1.28 CSCCSc1cccc(n1)N 62a_100000212216_100000740741 [0,2,0,0,0,0|1,0,0]=3 10089 B12R1.28 CSCCSc1cccc(n1)N 62a_100000740741_100000751147 [0,2,0,0,0,0|1,0,0]=3 10090 B12R1.28 CSCCSc1ccnc(n1)C 62a_100000212216_100000749937 [0,2,0,0,0,0|2,0,0]=4 10091 B12R1.28 CSCCSc1ccnc(n1)C 62a_100000749937_100000751147 [0,2,0,0,0,0|2,0,0]=4 10092 B12R1.28 CSCCSc1ccnc(n1)Cl 62a_100000212216_100010154678 [0,2,0,0,0,0|2,0,0]=4 10093 B12R1.28 CSCCSc1ccnc(n1)Cl 62a_100010154678_100000751147 [0,2,0,0,0,0|2,0,0]=4 10094 B12R1.28 CSCCSc1ccnc(n1)N 62a_100000055538_100000751147 [0,2,0,0,0,0|2,0,0]=4 10095 B12R1.28 CSCCSc1ccnc(n1)N 62a_100000212216_100000055538 [0,2,0,0,0,0|2,0,0]=4 10096 B12R1.28 CSCCSc1cncc(n1)C 62a_100000212216_100000754123 [0,2,0,0,0,0|2,0,0]=4 10097 B12R1.28 CSCCSc1cncc(n1)C 62a_100000754123_100000751147 [0,2,0,0,0,0|2,0,0]=4 10098 B12R1.28 CSCCSc1cncc(n1)Cl 62a_100000212216_100010892449 [0,2,0,0,0,0|2,0,0]=4 10099 B12R1.28 CSCCSc1cncc(n1)Cl 62a_100010892449_100000751147 [0,2,0,0,0,0|2,0,0]=4 10100 B12R1.28 CSCCSc1cncc(n1)F 62a_100000212216_200009863489 [0,2,0,0,0,0|2,0,0]=4 10101 B12R1.28 CSCCSc1cncc(n1)F 62a_200009863489_100000751147 [0,2,0,0,0,0|2,0,0]=4 10102 B12R1.28 CSCCSc1cncc(n1)N 62a_100000212216_100000747728 [0,2,0,0,0,0|2,0,0]=4 10103 B12R1.28 CSCCSc1cncc(n1)N 62a_100000747728_100000751147 [0,2,0,0,0,0|2,0,0]=4 10104 B12R1.28 CSCCSc1cncc(n1)O 62a_100000212216_100011269956 [0,2,0,0,0,0|2,0,0]=4 10105 B12R1.28 CSCCSc1nccc(n1)C 62a_100000212216_100011243806 [0,2,0,0,0,0|2,0,0]=4 10106 B12R1.28 CSCCSc1nccc(n1)C 62a_100011243806_100000751147 [0,2,0,0,0,0|2,0,0]=4 10107 B12R1.28 CSCCSc1nccc(n1)N 62a_100000212216_100000757536 [0,2,0,0,0,0|2,0,0]=4 10108 B12R1.28 CSCCSc1nccc(n1)N 62a_100000757536_100000751147 [0,2,0,0,0,0|2,0,0]=4 10109 B12R1.28 CSCCSc1nccc(n1)O 62a_100000212216_100011649813 [0,2,0,0,0,0|2,0,0]=4 10110 B12R1.28 CSCNCc1cccc(=O)[nH]1 2230a_100000696482_100011218213 [0,2,0,0,0,0|1,0,1]=4 10111 B12R1.28 CSCNCc1cccc(c1)Br 2230a_100000174977_100011218213 [0,2,0,0,0,0|2,0,0]=4 10112 B12R1.28 CSCNCc1cccc(c1)Br 34a_100000174977_100011218213 [0,2,0,0,0,0|2,0,0]=4 10113 B12R1.28 CSCNCc1cccc(c1)C 2230a_100000185548_100011218213 [0,2,0,0,0,0|2,0,0]=4 10114 B12R1.28 CSCNCc1cccc(c1)C 34a_100000185548_100011218213 [0,2,0,0,0,0|2,0,0]=4 10115 B12R1.28 CSCNCc1cccc(c1)Cl 2230a_100000174878_100011218213 [0,2,0,0,0,0|2,0,0]=4 10116 B12R1.28 CSCNCc1cccc(c1)Cl 34a_100000174878_100011218213 [0,2,0,0,0,0|2,0,0]=4 10117 B12R1.28 CSCNCc1cccc(c1)F 2230a_100000174948_100011218213 [0,2,0,0,0,0|2,0,0]=4 10118 B12R1.28 CSCNCc1cccc(c1)F 34a_100000174948_100011218213 [0,2,0,0,0,0|2,0,0]=4 10119 B12R1.28 CSCNCc1cccc(c1)I 2230a_100000106179_100011218213 [0,2,0,0,0,0|2,0,0]=4 10120 B12R1.28 CSCNCc1cccc(c1)I 34a_100000106179_100011218213 [0,2,0,0,0,0|2,0,0]=4 10121 B12R1.28 CSCNCc1cccc(c1)O 2230a_100000743036_100011218213 [0,2,0,0,0,0|2,0,0]=4 10122 B12R1.28 CSCNCc1cccc(c1)O 34a_100000743036_100011218213 [0,2,0,0,0,0|2,0,0]=4 10123 B12R1.28 CSCNCc1cccc(n1)Br 2230a_100016987751_100011218213 [0,2,0,0,0,0|1,0,0]=3 10124 B12R1.28 CSCNCc1cccc(n1)C 34a_100000701342_100011218213 [0,2,0,0,0,0|1,0,0]=3 10125 B12R1.28 CSCNCc1cccc(n1)Cl 2230a_100016990191_100011218213 [0,2,0,0,0,0|1,0,0]=3 10126 B12R1.28 CSCNCc1cccc(n1)F 2230a_100015188798_100011218213 [0,2,0,0,0,0|1,0,0]=3 10127 B12R1.28 CSCNCc1cccc(n1)F 34a_100015188798_100011218213 [0,2,0,0,0,0|1,0,0]=3 10128 B12R1.28 CSCNCc1nccc(n1)C 2230a_100015186494_100011218213 [0,2,0,0,0,0|2,0,0]=4 10129 B12R1.28 CSCOCc1cc(ccn1)C 34a_100011998357_100011218213 [0,2,0,0,0,0|1,0,0]=3 10130 B12R1.28 CSCOCc1cc(ccn1)Cl 34a_100000748867_100011218213 [0,2,0,0,0,0|1,0,0]=3 10131 B12R1.28 CSCOCc1cc(ccn1)N 34a_100000692640_100011218213 [0,2,0,0,0,0|1,0,0]=3 10132 B12R1.28 CSCOCc1cc(cnn1)C 34a_100016212594_100011218213 [0,2,0,0,0,0|2,0,0]=4 10133 B12R1.28 CSCOCc1cccc(c1)Br 34a_100000687537_100011218213 [0,2,0,0,0,0|2,0,0]=4 10134 B12R1.28 CSCOCc1cccc(c1)C 34a_100011217746_100011218213 [0,2,0,0,0,0|2,0,0]=4 10135 B12R1.28 CSCOCc1cccc(c1)Cl 34a_100000241301_100011218213 [0,2,0,0,0,0|2,0,0]=4 10136 B12R1.28 CSCOCc1cccc(c1)F 34a_100000210976_100011218213 [0,2,0,0,0,0|2,0,0]=4 10137 B12R1.28 CSCOCc1cccc(c1)I 34a_100011215336_100011218213 [0,2,0,0,0,0|2,0,0]=4 10138 B12R1.28 CSCOCc1cccc(c1)N 34a_100000211919_100011218213 [0,2,0,0,0,0|2,0,0]=4 10139 B12R1.28 CSCOCc1cccc(n1)Br 34a_100000694195_100011218213 [0,2,0,0,0,0|1,0,0]=3 10140 B12R1.28 CSCOCc1cccc(n1)C 34a_100000690600_100011218213 [0,2,0,0,0,0|1,0,0]=3 10141 B12R1.28 CSCOCc1cccc(n1)Cl 34a_100011998359_100011218213 [0,2,0,0,0,0|1,0,0]=3 10142 B12R1.28 CSCOCc1cccc(n1)F 34a_100000086748_100011218213 [0,2,0,0,0,0|1,0,0]=3 10143 B12R1.28 CSCSCc1cc(ccn1)Br 62a_100010173614_100011218213 [0,2,0,0,0,0|1,0,0]=3 10144 B12R1.28 CSCSCc1cc(ccn1)Br 62a_100011218213_100010173614 [0,2,0,0,0,0|1,0,0]=3 10145 B12R1.28 CSCSCc1cc(ccn1)C 62a_100000718516_100011218213 [0,2,0,0,0,0|1,0,0]=3 10146 B12R1.28 CSCSCc1cc(ccn1)C 62a_100011218213_100000718516 [0,2,0,0,0,0|1,0,0]=3 10147 B12R1.28 CSCSCc1cc(ccn1)Cl 62a_100011218213_100016988179 [0,2,0,0,0,0|1,0,0]=3 10148 B12R1.28 CSCSCc1cc(ccn1)Cl 62a_100016988179_100011218213 [0,2,0,0,0,0|1,0,0]=3 10149 B12R1.28 CSCSCc1cccc(c1)Br 62a_100000211773_100011218213 [0,2,0,0,0,0|2,0,0]=4 10150 B12R1.28 CSCSCc1cccc(c1)Br 62a_100011218213_100000211773 [0,2,0,0,0,0|2,0,0]=4 10151 B12R1.28 CSCSCc1cccc(c1)C 62a_100000211840_100011218213 [0,2,0,0,0,0|2,0,0]=4 10152 B12R1.28 CSCSCc1cccc(c1)C 62a_100011218213_100000211840 [0,2,0,0,0,0|2,0,0]=4 10153 B12R1.28 CSCSCc1cccc(c1)Cl 62a_100000187163_100011218213 [0,2,0,0,0,0|2,0,0]=4 10154 B12R1.28 CSCSCc1cccc(c1)Cl 62a_100011218213_100000187163 [0,2,0,0,0,0|2,0,0]=4 10155 B12R1.28 CSCSCc1cccc(c1)F 62a_100000230114_100011218213 [0,2,0,0,0,0|2,0,0]=4 10156 B12R1.28 CSCSCc1cccc(c1)F 62a_100011218213_100000230114 [0,2,0,0,0,0|2,0,0]=4 10157 B12R1.28 CSCSCc1cccc(c1)I 62a_100011218213_100011218688 [0,2,0,0,0,0|2,0,0]=4 10158 B12R1.28 CSCSCc1cccc(c1)I 62a_100011218688_100011218213 [0,2,0,0,0,0|2,0,0]=4 10159 B12R1.28 CSCSCc1cccc(c1)O 62a_100011218213_100011660834 [0,2,0,0,0,0|2,0,0]=4 10160 B12R1.28 CSCSCc1cccc(c1)O 62a_100011660834_100011218213 [0,2,0,0,0,0|2,0,0]=4 10161 B12R1.28 CSCSCc1cccc(n1)Br 62a_100009889011_100011218213 [0,2,0,0,0,0|1,0,0]=3 10162 B12R1.28 CSCSCc1cccc(n1)Br 62a_100011218213_100009889011 [0,2,0,0,0,0|1,0,0]=3 10163 B12R1.28 CSCSCc1cccc(n1)C 62a_100000757606_100011218213 [0,2,0,0,0,0|1,0,0]=3 10164 B12R1.28 CSCSCc1cccc(n1)C 62a_100011218213_100000757606 [0,2,0,0,0,0|1,0,0]=3 10165 B12R1.28 CSCSCc1cccc(n1)Cl 62a_100000086093_100011218213 [0,2,0,0,0,0|1,0,0]=3 10166 B12R1.28 CSCSCc1cccc(n1)Cl 62a_100011218213_100000086093 [0,2,0,0,0,0|1,0,0]=3 10167 B12R1.28 CSCSCc1cccc(n1)F 62a_100009819644_100011218213 [0,2,0,0,0,0|1,0,0]=3 10168 B12R1.28 CSCSCc1cccc(n1)F 62a_100011218213_100009819644 [0,2,0,0,0,0|1,0,0]=3 10169 B12R1.28 CSCSCc1ccnc(n1)Cl 62a_100000099655_100011218213 [0,2,0,0,0,0|2,0,0]=4 10170 B12R1.28 CSCSCc1ccnc(n1)Cl 62a_100011218213_100000099655 [0,2,0,0,0,0|2,0,0]=4 10171 B12R1.28 Cc1cccc(c1)CCCN[13CH3] 2230a_103496528808_200025704644 [0,2,0,0,0,0|1,0,0]=3 10172 B12R1.28 Cc1cccc(c1)CCCN[13CH3] 34a_103496528808_200025704644 [0,2,0,0,0,0|1,0,0]=3 10173 B12R1.28 Cc1cccc(c1)CCNCF 34a_100000749837_100015361967 [0,2,0,0,0,0|1,0,0]=3 10174 B12R1.28 Cc1cccc(c1)CCOCF 34a_100011217157_100015361967 [0,2,0,0,0,0|2,0,0]=4 10175 B12R1.28 Cc1cccc(c1)CCOCF 7a_100011217157_100015361967 [0,2,0,0,0,0|2,0,0]=4 10176 B12R1.28 Cc1cccc(c1)CCSCF 62a_100011713685_100015361967 [0,2,0,0,0,0|2,0,0]=4 10177 B12R1.28 Cc1cccc(c1)CCSCF 62a_100015361967_100011713685 [0,2,0,0,0,0|2,0,0]=4 10178 B12R1.28 Cc1cccc(c1)OCCN[13CH3] 2230a_100015185188_200025704644 [0,2,0,0,0,0|1,0,0]=3 10179 B12R1.28 Cc1cccc(c1)OCCN[13CH3] 34a_100015185188_200025704644 [0,2,0,0,0,0|1,0,0]=3 10180 B12R1.28 Cc1cccc(c1)OCCO[13CH3] 34a_200011215094_200025704644 [0,2,0,0,0,0|2,0,0]=4 10181 B12R1.28 Cc1cccc(c1)OCCO[13CH3] 7a_200011215094_200025704644 [0,2,0,0,0,0|2,0,0]=4 10182 B12R1.28 Cc1cccc(c1)SCCO[13CH3] 34a_200011432187_200025704644 [0,2,0,0,0,0|2,0,0]=4 10183 B12R1.28 Cc1cccc(c1)SCCO[13CH3] 7a_200011432187_200025704644 [0,2,0,0,0,0|2,0,0]=4 10184 B12R1.28 Cc1cccc(n1)CCCO[13CH3] 34a_100000211354_200025704644 [0,2,0,0,0,0|1,0,0]=3 10185 B12R1.28 Cc1cccc(n1)CCNCF 34a_100011824523_100015361967 [0,2,0,0,0,0|0,0,0]=2 10186 B12R1.28 Cc1cccc(n1)CNCC=O 34a_100000701342_200009817547 [0,2,0,0,0,0|2,0,0]=4 10187 B12R1.28 Cc1cccc(n1)CNCCF 34a_100000701342_100011217306 [0,2,0,0,0,0|2,0,0]=4 10188 B12R1.28 Cc1cccc(n1)CNCCF 34a_100000724931_100000757606 [0,2,0,0,0,0|2,0,0]=4 10189 B12R1.28 Cc1cccc(n1)CNCCO 207a_100000210304_100011215050 [0,2,0,0,0,0|2,0,0]=4 10190 B12R1.28 Cc1cccc(n1)CNCCO 2230a_100016997473_100000757606 [0,2,0,0,0,0|2,0,0]=4 10191 B12R1.28 Cc1cccc(n1)CNCCO 270004a_100000210304_100011215050 [0,2,0,0,0,0|2,0,0]=4 10192 B12R1.28 Cc1cccc(n1)CNCCO 34a_100000701342_100000211926 [0,2,0,0,0,0|2,0,0]=4 10193 B12R1.28 Cc1cccc(n1)CNCCO 34a_100016990907_100000757606 [0,2,0,0,0,0|2,0,0]=4 10194 B12R1.28 Cc1cccc(n1)COCC=O 34a_100000690600_200009817547 [0,2,0,0,0,0|2,0,0]=4 10195 B12R1.28 Cc1cccc(n1)COCCBr 34a_100000211926_100000757606 [0,2,0,0,0,0|2,0,0]=4 10196 B12R1.28 Cc1cccc(n1)COCCF 34a_100000690600_100011217306 [0,2,0,0,0,0|2,0,0]=4 10197 B12R1.28 Cc1cccc(n1)COCCN 34a_100000210304_100000757606 [0,2,0,0,0,0|2,0,0]=4 10198 B12R1.28 Cc1cccc(n1)COCCO 34a_100000690600_100000211926 [0,2,0,0,0,0|2,0,0]=4 10199 B12R1.28 Cc1cccc(n1)CSCC#N 62a_100000757606_100011215382 [0,2,0,0,0,0|2,0,0]=4 10200 B12R1.28 Cc1cccc(n1)CSCC#N 62a_100011215382_100000757606 [0,2,0,0,0,0|2,0,0]=4 10201 B12R1.28 Cc1cccc(n1)CSCC=O 62a_100000757606_200015260668 [0,2,0,0,0,0|2,0,0]=4 10202 B12R1.28 Cc1cccc(n1)CSCC=O 62a_200015260668_100000757606 [0,2,0,0,0,0|2,0,0]=4 10203 B12R1.28 Cc1cccc(n1)CSCCF 62a_100000757606_100011217306 [0,2,0,0,0,0|2,0,0]=4 10204 B12R1.28 Cc1cccc(n1)CSCCF 62a_100011217306_100000757606 [0,2,0,0,0,0|2,0,0]=4 10205 B12R1.28 Cc1cccc(n1)CSCCO 62a_100000211926_100000757606 [0,2,0,0,0,0|2,0,0]=4 10206 B12R1.28 Cc1cccc(n1)CSCCO 62a_100000757606_100000211926 [0,2,0,0,0,0|2,0,0]=4 10207 B12R1.28 Cc1cccc(n1)SCCC#N 62a_100000742759_100011215226 [0,2,0,0,0,0|2,0,0]=4 10208 B12R1.28 Cc1cccc(n1)SCCC#N 62a_100011215226_100000742759 [0,2,0,0,0,0|2,0,0]=4 10209 B12R1.28 Cc1cccc(n1)SCCCF 62a_100000742759_100011934791 [0,2,0,0,0,0|2,0,0]=4 10210 B12R1.28 Cc1cccc(n1)SCCCF 62a_100011934791_100000742759 [0,2,0,0,0,0|2,0,0]=4 10211 B12R1.28 Cc1cccc(n1)SCCCO 62a_100000742759_100011215043 [0,2,0,0,0,0|2,0,0]=4 10212 B12R1.28 Cc1cccc(n1)SCCCO 62a_100011215043_100000742759 [0,2,0,0,0,0|2,0,0]=4 10213 B12R1.28 Cc1ccnc(c1)CNCCF 34a_100000724931_100000718516 [0,2,0,0,0,0|2,0,0]=4 10214 B12R1.28 Cc1ccnc(c1)CNCCO 207a_100000210304_100011361488 [0,2,0,0,0,0|2,0,0]=4 10215 B12R1.28 Cc1ccnc(c1)CNCCO 2230a_100016997473_100000718516 [0,2,0,0,0,0|2,0,0]=4 10216 B12R1.28 Cc1ccnc(c1)CNCCO 270004a_100000210304_100011361488 [0,2,0,0,0,0|2,0,0]=4 10217 B12R1.28 Cc1ccnc(c1)CNCCO 34a_100016990907_100000718516 [0,2,0,0,0,0|2,0,0]=4 10218 B12R1.28 Cc1ccnc(c1)COCC=O 34a_100011998357_200009817547 [0,2,0,0,0,0|2,0,0]=4 10219 B12R1.28 Cc1ccnc(c1)COCCBr 34a_100000211926_100000718516 [0,2,0,0,0,0|2,0,0]=4 10220 B12R1.28 Cc1ccnc(c1)COCCF 34a_100011998357_100011217306 [0,2,0,0,0,0|2,0,0]=4 10221 B12R1.28 Cc1ccnc(c1)COCCN 34a_100000210304_100000718516 [0,2,0,0,0,0|2,0,0]=4 10222 B12R1.28 Cc1ccnc(c1)COCCO 34a_100011998357_100000211926 [0,2,0,0,0,0|2,0,0]=4 10223 B12R1.28 Cc1ccnc(c1)CSCC#N 62a_100000718516_100011215382 [0,2,0,0,0,0|2,0,0]=4 10224 B12R1.28 Cc1ccnc(c1)CSCC#N 62a_100011215382_100000718516 [0,2,0,0,0,0|2,0,0]=4 10225 B12R1.28 Cc1ccnc(c1)CSCC=O 62a_100000718516_200015260668 [0,2,0,0,0,0|2,0,0]=4 10226 B12R1.28 Cc1ccnc(c1)CSCC=O 62a_200015260668_100000718516 [0,2,0,0,0,0|2,0,0]=4 10227 B12R1.28 Cc1ccnc(c1)CSCCF 62a_100000718516_100011217306 [0,2,0,0,0,0|2,0,0]=4 10228 B12R1.28 Cc1ccnc(c1)CSCCF 62a_100011217306_100000718516 [0,2,0,0,0,0|2,0,0]=4 10229 B12R1.28 Cc1ccnc(c1)CSCCO 62a_100000211926_100000718516 [0,2,0,0,0,0|2,0,0]=4 10230 B12R1.28 Cc1ccnc(c1)CSCCO 62a_100000718516_100000211926 [0,2,0,0,0,0|2,0,0]=4 10231 B12R1.28 Cc1ccnc(c1)SCCC#N 62a_100000750283_100011215226 [0,2,0,0,0,0|2,0,0]=4 10232 B12R1.28 Cc1ccnc(c1)SCCC#N 62a_100011215226_100000750283 [0,2,0,0,0,0|2,0,0]=4 10233 B12R1.28 Cc1ccnc(c1)SCCCF 62a_100000750283_100011934791 [0,2,0,0,0,0|2,0,0]=4 10234 B12R1.28 Cc1ccnc(c1)SCCCF 62a_100011934791_100000750283 [0,2,0,0,0,0|2,0,0]=4 10235 B12R1.28 Cc1ccnc(c1)SCCCO 62a_100000750283_100011215043 [0,2,0,0,0,0|2,0,0]=4 10236 B12R1.28 Cc1ccnc(c1)SCCCO 62a_100011215043_100000750283 [0,2,0,0,0,0|2,0,0]=4 10237 B12R1.28 Clc1cccc(n1)COCCBr 34a_100000211926_100000086093 [0,2,0,0,0,0|2,0,0]=4 10238 B12R1.28 Clc1ccnc(c1)COCCBr 34a_100000211926_100016988179 [0,2,0,0,0,0|2,0,0]=4 10239 B12R1.28 FCCCNc1cc(ccn1)F 27a_100015189416_100000764206 [0,2,0,0,0,0|2,0,0]=4 10240 B12R1.28 FCCCNc1cccc(n1)F 27a_100015189416_100009815982 [0,2,0,0,0,0|2,0,0]=4 10241 B12R1.28 FCCCOc1cccc(n1)F 34a_100011432558_100011934791 [0,2,0,0,0,0|2,0,0]=4 10242 B12R1.28 FCCCSc1cc(ccn1)Cl 62a_100010167805_100011934791 [0,2,0,0,0,0|2,0,0]=4 10243 B12R1.28 FCCCSc1cc(ccn1)Cl 62a_100011934791_100010167805 [0,2,0,0,0,0|2,0,0]=4 10244 B12R1.28 FCCCSc1cc(ccn1)F 62a_100000764206_100011934791 [0,2,0,0,0,0|2,0,0]=4 10245 B12R1.28 FCCCSc1cc(ccn1)F 62a_100011934791_100000764206 [0,2,0,0,0,0|2,0,0]=4 10246 B12R1.28 FCCCSc1cccc(n1)Br 62a_100000684672_100011934791 [0,2,0,0,0,0|2,0,0]=4 10247 B12R1.28 FCCCSc1cccc(n1)Br 62a_100011934791_100000684672 [0,2,0,0,0,0|2,0,0]=4 10248 B12R1.28 FCCCSc1cccc(n1)Cl 62a_100000051397_100011934791 [0,2,0,0,0,0|2,0,0]=4 10249 B12R1.28 FCCCSc1cccc(n1)Cl 62a_100011934791_100000051397 [0,2,0,0,0,0|2,0,0]=4 10250 B12R1.28 FCCCSc1cccc(n1)F 62a_100009815982_100011934791 [0,2,0,0,0,0|2,0,0]=4 10251 B12R1.28 FCCCSc1cccc(n1)F 62a_100011934791_100009815982 [0,2,0,0,0,0|2,0,0]=4 10252 B12R1.28 FCCNCc1cc(ccn1)Br 34a_100000724931_100010173614 [0,2,0,0,0,0|2,0,0]=4 10253 B12R1.28 FCCNCc1cc(ccn1)Cl 34a_100000724931_100016988179 [0,2,0,0,0,0|2,0,0]=4 10254 B12R1.28 FCCNCc1cccc(n1)Br 2230a_100016987751_100011217306 [0,2,0,0,0,0|2,0,0]=4 10255 B12R1.28 FCCNCc1cccc(n1)Br 34a_100000724931_100009889011 [0,2,0,0,0,0|2,0,0]=4 10256 B12R1.28 FCCNCc1cccc(n1)Cl 2230a_100016990191_100011217306 [0,2,0,0,0,0|2,0,0]=4 10257 B12R1.28 FCCNCc1cccc(n1)Cl 34a_100000724931_100000086093 [0,2,0,0,0,0|2,0,0]=4 10258 B12R1.28 FCCNCc1cccc(n1)F 2230a_100015188798_100011217306 [0,2,0,0,0,0|2,0,0]=4 10259 B12R1.28 FCCNCc1cccc(n1)F 34a_100000724931_100009819644 [0,2,0,0,0,0|2,0,0]=4 10260 B12R1.28 FCCNCc1cccc(n1)F 34a_100015188798_100011217306 [0,2,0,0,0,0|2,0,0]=4 10261 B12R1.28 FCCOCc1cc(ccn1)Cl 34a_100000748867_100011217306 [0,2,0,0,0,0|2,0,0]=4 10262 B12R1.28 FCCOCc1cccc(n1)Br 34a_100000694195_100011217306 [0,2,0,0,0,0|2,0,0]=4 10263 B12R1.28 FCCOCc1cccc(n1)Cl 34a_100011998359_100011217306 [0,2,0,0,0,0|2,0,0]=4 10264 B12R1.28 FCCOCc1cccc(n1)F 34a_100000086748_100011217306 [0,2,0,0,0,0|2,0,0]=4 10265 B12R1.28 FCCSCc1cc(ccn1)Br 62a_100010173614_100011217306 [0,2,0,0,0,0|2,0,0]=4 10266 B12R1.28 FCCSCc1cc(ccn1)Br 62a_100011217306_100010173614 [0,2,0,0,0,0|2,0,0]=4 10267 B12R1.28 FCCSCc1cc(ccn1)Cl 62a_100011217306_100016988179 [0,2,0,0,0,0|2,0,0]=4 10268 B12R1.28 FCCSCc1cc(ccn1)Cl 62a_100016988179_100011217306 [0,2,0,0,0,0|2,0,0]=4 10269 B12R1.28 FCCSCc1cccc(n1)Br 62a_100009889011_100011217306 [0,2,0,0,0,0|2,0,0]=4 10270 B12R1.28 FCCSCc1cccc(n1)Br 62a_100011217306_100009889011 [0,2,0,0,0,0|2,0,0]=4 10271 B12R1.28 FCCSCc1cccc(n1)Cl 62a_100000086093_100011217306 [0,2,0,0,0,0|2,0,0]=4 10272 B12R1.28 FCCSCc1cccc(n1)Cl 62a_100011217306_100000086093 [0,2,0,0,0,0|2,0,0]=4 10273 B12R1.28 FCCSCc1cccc(n1)F 62a_100009819644_100011217306 [0,2,0,0,0,0|2,0,0]=4 10274 B12R1.28 FCCSCc1cccc(n1)F 62a_100011217306_100009819644 [0,2,0,0,0,0|2,0,0]=4 10275 B12R1.28 FCNCCc1cccc(c1)Br 34a_100011207229_100015361967 [0,2,0,0,0,0|1,0,0]=3 10276 B12R1.28 FCNCCc1cccc(c1)Cl 34a_100000185263_100015361967 [0,2,0,0,0,0|1,0,0]=3 10277 B12R1.28 FCNCCc1cccc(c1)F 34a_100000205154_100015361967 [0,2,0,0,0,0|1,0,0]=3 10278 B12R1.28 FCOCCc1cccc(c1)Br 34a_100011217444_100015361967 [0,2,0,0,0,0|2,0,0]=4 10279 B12R1.28 FCOCCc1cccc(c1)Br 7a_100011217444_100015361967 [0,2,0,0,0,0|2,0,0]=4 10280 B12R1.28 FCOCCc1cccc(c1)Cl 34a_100000754733_100015361967 [0,2,0,0,0,0|2,0,0]=4 10281 B12R1.28 FCOCCc1cccc(c1)Cl 7a_100000754733_100015361967 [0,2,0,0,0,0|2,0,0]=4 10282 B12R1.28 FCOCCc1cccc(c1)F 34a_100000763591_100015361967 [0,2,0,0,0,0|2,0,0]=4 10283 B12R1.28 FCOCCc1cccc(c1)F 7a_100000763591_100015361967 [0,2,0,0,0,0|2,0,0]=4 10284 B12R1.28 FCOCCc1cccc(n1)Br 34a_100010221043_100015361967 [0,2,0,0,0,0|1,0,0]=3 10285 B12R1.28 FCOCCc1cccc(n1)Br 7a_100010221043_100015361967 [0,2,0,0,0,0|1,0,0]=3 10286 B12R1.28 FCSCCc1cccc(c1)Br 62a_100011740638_100015361967 [0,2,0,0,0,0|2,0,0]=4 10287 B12R1.28 FCSCCc1cccc(c1)Br 62a_100015361967_100011740638 [0,2,0,0,0,0|2,0,0]=4 10288 B12R1.28 FCSCCc1cccc(c1)Cl 62a_100011713710_100015361967 [0,2,0,0,0,0|2,0,0]=4 10289 B12R1.28 FCSCCc1cccc(c1)Cl 62a_100015361967_100011713710 [0,2,0,0,0,0|2,0,0]=4 10290 B12R1.28 FCSCCc1cccc(c1)F 62a_100011217235_100015361967 [0,2,0,0,0,0|2,0,0]=4 10291 B12R1.28 FCSCCc1cccc(c1)F 62a_100015361967_100011217235 [0,2,0,0,0,0|2,0,0]=4 10292 B12R1.28 Fc1cccc(n1)COCCBr 34a_100000211926_100009819644 [0,2,0,0,0,0|2,0,0]=4 10293 B12R1.28 N#CCCNc1cc(ccn1)F 27a_100000720768_100000764206 [0,2,0,0,0,0|2,0,0]=4 10294 B12R1.28 N#CCCNc1cccc(n1)F 27a_100000720768_100009815982 [0,2,0,0,0,0|2,0,0]=4 10295 B12R1.28 N#CCCSc1cc(ccn1)Cl 62a_100010167805_100011215226 [0,2,0,0,0,0|2,0,0]=4 10296 B12R1.28 N#CCCSc1cc(ccn1)Cl 62a_100011215226_100010167805 [0,2,0,0,0,0|2,0,0]=4 10297 B12R1.28 N#CCCSc1cc(ccn1)F 62a_100000764206_100011215226 [0,2,0,0,0,0|2,0,0]=4 10298 B12R1.28 N#CCCSc1cc(ccn1)F 62a_100011215226_100000764206 [0,2,0,0,0,0|2,0,0]=4 10299 B12R1.28 N#CCCSc1cc(ccn1)N 62a_100009814236_100011215226 [0,2,0,0,0,0|2,0,0]=4 10300 B12R1.28 N#CCCSc1cc(ccn1)N 62a_100011215226_100009814236 [0,2,0,0,0,0|2,0,0]=4 10301 B12R1.28 N#CCCSc1cc(ccn1)O 62a_100011215226_100000762945 [0,2,0,0,0,0|2,0,0]=4 10302 B12R1.28 N#CCCSc1cccc(n1)Br 62a_100000684672_100011215226 [0,2,0,0,0,0|2,0,0]=4 10303 B12R1.28 N#CCCSc1cccc(n1)Br 62a_100011215226_100000684672 [0,2,0,0,0,0|2,0,0]=4 10304 B12R1.28 N#CCCSc1cccc(n1)Cl 62a_100000051397_100011215226 [0,2,0,0,0,0|2,0,0]=4 10305 B12R1.28 N#CCCSc1cccc(n1)Cl 62a_100011215226_100000051397 [0,2,0,0,0,0|2,0,0]=4 10306 B12R1.28 N#CCCSc1cccc(n1)F 62a_100009815982_100011215226 [0,2,0,0,0,0|2,0,0]=4 10307 B12R1.28 N#CCCSc1cccc(n1)F 62a_100011215226_100009815982 [0,2,0,0,0,0|2,0,0]=4 10308 B12R1.28 N#CCCSc1cccc(n1)N 62a_100000740741_100011215226 [0,2,0,0,0,0|2,0,0]=4 10309 B12R1.28 N#CCCSc1cccc(n1)N 62a_100011215226_100000740741 [0,2,0,0,0,0|2,0,0]=4 10310 B12R1.28 N#CCNCc1cccc(n1)Br 2230a_100016987751_100011215382 [0,2,0,0,0,0|2,0,0]=4 10311 B12R1.28 N#CCNCc1cccc(n1)Cl 2230a_100016990191_100011215382 [0,2,0,0,0,0|2,0,0]=4 10312 B12R1.28 N#CCNCc1cccc(n1)F 2230a_100015188798_100011215382 [0,2,0,0,0,0|2,0,0]=4 10313 B12R1.28 N#CCSCc1cc(ccn1)Br 62a_100010173614_100011215382 [0,2,0,0,0,0|2,0,0]=4 10314 B12R1.28 N#CCSCc1cc(ccn1)Br 62a_100011215382_100010173614 [0,2,0,0,0,0|2,0,0]=4 10315 B12R1.28 N#CCSCc1cc(ccn1)Cl 62a_100011215382_100016988179 [0,2,0,0,0,0|2,0,0]=4 10316 B12R1.28 N#CCSCc1cc(ccn1)Cl 62a_100016988179_100011215382 [0,2,0,0,0,0|2,0,0]=4 10317 B12R1.28 N#CCSCc1cccc(n1)Br 62a_100009889011_100011215382 [0,2,0,0,0,0|2,0,0]=4 10318 B12R1.28 N#CCSCc1cccc(n1)Br 62a_100011215382_100009889011 [0,2,0,0,0,0|2,0,0]=4 10319 B12R1.28 N#CCSCc1cccc(n1)Cl 62a_100000086093_100011215382 [0,2,0,0,0,0|2,0,0]=4 10320 B12R1.28 N#CCSCc1cccc(n1)Cl 62a_100011215382_100000086093 [0,2,0,0,0,0|2,0,0]=4 10321 B12R1.28 N#CCSCc1cccc(n1)F 62a_100009819644_100011215382 [0,2,0,0,0,0|2,0,0]=4 10322 B12R1.28 N#CCSCc1cccc(n1)F 62a_100011215382_100009819644 [0,2,0,0,0,0|2,0,0]=4 10323 B12R1.28 NCCOCc1cc(ccn1)Br 34a_100000210304_100010173614 [0,2,0,0,0,0|2,0,0]=4 10324 B12R1.28 NCCOCc1cc(ccn1)Cl 34a_100000210304_100016988179 [0,2,0,0,0,0|2,0,0]=4 10325 B12R1.28 NCCOCc1cccc(n1)Br 34a_100000210304_100009889011 [0,2,0,0,0,0|2,0,0]=4 10326 B12R1.28 NCCOCc1cccc(n1)Cl 34a_100000210304_100000086093 [0,2,0,0,0,0|2,0,0]=4 10327 B12R1.28 NCCOCc1cccc(n1)F 34a_100000210304_100009819644 [0,2,0,0,0,0|2,0,0]=4 10328 B12R1.28 Nc1cccc(c1)CCOCF 34a_100011996697_100015361967 [0,2,0,0,0,0|2,0,0]=4 10329 B12R1.28 Nc1cccc(n1)SCCCF 62a_100000740741_100011934791 [0,2,0,0,0,0|2,0,0]=4 10330 B12R1.28 Nc1cccc(n1)SCCCF 62a_100011934791_100000740741 [0,2,0,0,0,0|2,0,0]=4 10331 B12R1.28 Nc1cccc(n1)SCCCO 62a_100000740741_100011215043 [0,2,0,0,0,0|2,0,0]=4 10332 B12R1.28 Nc1cccc(n1)SCCCO 62a_100011215043_100000740741 [0,2,0,0,0,0|2,0,0]=4 10333 B12R1.28 Nc1ccnc(c1)COCC=O 34a_100000692640_200009817547 [0,2,0,0,0,0|2,0,0]=4 10334 B12R1.28 Nc1ccnc(c1)COCCF 34a_100000692640_100011217306 [0,2,0,0,0,0|2,0,0]=4 10335 B12R1.28 Nc1ccnc(c1)COCCO 34a_100000692640_100000211926 [0,2,0,0,0,0|2,0,0]=4 10336 B12R1.28 Nc1ccnc(c1)SCCCF 62a_100009814236_100011934791 [0,2,0,0,0,0|2,0,0]=4 10337 B12R1.28 Nc1ccnc(c1)SCCCF 62a_100011934791_100009814236 [0,2,0,0,0,0|2,0,0]=4 10338 B12R1.28 Nc1ccnc(c1)SCCCO 62a_100009814236_100011215043 [0,2,0,0,0,0|2,0,0]=4 10339 B12R1.28 Nc1ccnc(c1)SCCCO 62a_100011215043_100009814236 [0,2,0,0,0,0|2,0,0]=4 10340 B12R1.28 O=CCNCc1cccc(n1)Br 2230a_100016987751_200015260668 [0,2,0,0,0,0|2,0,0]=4 10341 B12R1.28 O=CCNCc1cccc(n1)Cl 2230a_100016990191_200015260668 [0,2,0,0,0,0|2,0,0]=4 10342 B12R1.28 O=CCNCc1cccc(n1)F 2230a_100015188798_200015260668 [0,2,0,0,0,0|2,0,0]=4 10343 B12R1.28 O=CCNCc1cccc(n1)F 34a_100015188798_200009817547 [0,2,0,0,0,0|2,0,0]=4 10344 B12R1.28 O=CCOCc1cc(ccn1)Cl 34a_100000748867_200009817547 [0,2,0,0,0,0|2,0,0]=4 10345 B12R1.28 O=CCOCc1cccc(n1)Br 34a_100000694195_200009817547 [0,2,0,0,0,0|2,0,0]=4 10346 B12R1.28 O=CCOCc1cccc(n1)Cl 34a_100011998359_200009817547 [0,2,0,0,0,0|2,0,0]=4 10347 B12R1.28 O=CCOCc1cccc(n1)F 34a_100000086748_200009817547 [0,2,0,0,0,0|2,0,0]=4 10348 B12R1.28 O=CCSCc1cc(ccn1)Br 62a_100010173614_200015260668 [0,2,0,0,0,0|2,0,0]=4 10349 B12R1.28 O=CCSCc1cc(ccn1)Br 62a_200015260668_100010173614 [0,2,0,0,0,0|2,0,0]=4 10350 B12R1.28 O=CCSCc1cc(ccn1)Cl 62a_100016988179_200015260668 [0,2,0,0,0,0|2,0,0]=4 10351 B12R1.28 O=CCSCc1cc(ccn1)Cl 62a_200015260668_100016988179 [0,2,0,0,0,0|2,0,0]=4 10352 B12R1.28 O=CCSCc1cccc(n1)Br 62a_100009889011_200015260668 [0,2,0,0,0,0|2,0,0]=4 10353 B12R1.28 O=CCSCc1cccc(n1)Br 62a_200015260668_100009889011 [0,2,0,0,0,0|2,0,0]=4 10354 B12R1.28 O=CCSCc1cccc(n1)Cl 62a_100000086093_200015260668 [0,2,0,0,0,0|2,0,0]=4 10355 B12R1.28 O=CCSCc1cccc(n1)Cl 62a_200015260668_100000086093 [0,2,0,0,0,0|2,0,0]=4 10356 B12R1.28 O=CCSCc1cccc(n1)F 62a_100009819644_200015260668 [0,2,0,0,0,0|2,0,0]=4 10357 B12R1.28 O=CCSCc1cccc(n1)F 62a_200015260668_100009819644 [0,2,0,0,0,0|2,0,0]=4 10358 B12R1.28 OCCCNc1cc(ccn1)F 27a_100000182051_100000764206 [0,2,0,0,0,0|2,0,0]=4 10359 B12R1.28 OCCCNc1cccc(n1)F 27a_100000182051_100009815982 [0,2,0,0,0,0|2,0,0]=4 10360 B12R1.28 OCCCOc1cccc(n1)F 34a_100011432558_100000230001 [0,2,0,0,0,0|2,0,0]=4 10361 B12R1.28 OCCCSc1cc(ccn1)Cl 62a_100010167805_100011215043 [0,2,0,0,0,0|2,0,0]=4 10362 B12R1.28 OCCCSc1cc(ccn1)Cl 62a_100011215043_100010167805 [0,2,0,0,0,0|2,0,0]=4 10363 B12R1.28 OCCCSc1cc(ccn1)F 62a_100000764206_100011215043 [0,2,0,0,0,0|2,0,0]=4 10364 B12R1.28 OCCCSc1cc(ccn1)F 62a_100011215043_100000764206 [0,2,0,0,0,0|2,0,0]=4 10365 B12R1.28 OCCCSc1cc(ccn1)O 62a_100011215043_100000762945 [0,2,0,0,0,0|2,0,0]=4 10366 B12R1.28 OCCCSc1cccc(n1)Br 62a_100000684672_100011215043 [0,2,0,0,0,0|2,0,0]=4 10367 B12R1.28 OCCCSc1cccc(n1)Br 62a_100011215043_100000684672 [0,2,0,0,0,0|2,0,0]=4 10368 B12R1.28 OCCCSc1cccc(n1)Cl 62a_100000051397_100011215043 [0,2,0,0,0,0|2,0,0]=4 10369 B12R1.28 OCCCSc1cccc(n1)Cl 62a_100011215043_100000051397 [0,2,0,0,0,0|2,0,0]=4 10370 B12R1.28 OCCCSc1cccc(n1)F 62a_100009815982_100011215043 [0,2,0,0,0,0|2,0,0]=4 10371 B12R1.28 OCCCSc1cccc(n1)F 62a_100011215043_100009815982 [0,2,0,0,0,0|2,0,0]=4 10372 B12R1.28 OCCNCc1cc(ccn1)Br 2230a_100016997473_100010173614 [0,2,0,0,0,0|2,0,0]=4 10373 B12R1.28 OCCNCc1cc(ccn1)Br 270004a_100000210304_100009818557 [0,2,0,0,0,0|2,0,0]=4 10374 B12R1.28 OCCNCc1cc(ccn1)Br 34a_100016990907_100010173614 [0,2,0,0,0,0|2,0,0]=4 10375 B12R1.28 OCCNCc1cc(ccn1)Cl 2230a_100016997473_100016988179 [0,2,0,0,0,0|2,0,0]=4 10376 B12R1.28 OCCNCc1cc(ccn1)Cl 270004a_100000210304_100011998288 [0,2,0,0,0,0|2,0,0]=4 10377 B12R1.28 OCCNCc1cc(ccn1)Cl 34a_100016990907_100016988179 [0,2,0,0,0,0|2,0,0]=4 10378 B12R1.28 OCCNCc1cccc(n1)Br 2230a_100016987751_100000211926 [0,2,0,0,0,0|2,0,0]=4 10379 B12R1.28 OCCNCc1cccc(n1)Br 2230a_100016997473_100009889011 [0,2,0,0,0,0|2,0,0]=4 10380 B12R1.28 OCCNCc1cccc(n1)Br 270004a_100000210304_100000688028 [0,2,0,0,0,0|2,0,0]=4 10381 B12R1.28 OCCNCc1cccc(n1)Br 34a_100016990907_100009889011 [0,2,0,0,0,0|2,0,0]=4 10382 B12R1.28 OCCNCc1cccc(n1)Cl 2230a_100016990191_100000211926 [0,2,0,0,0,0|2,0,0]=4 10383 B12R1.28 OCCNCc1cccc(n1)Cl 2230a_100016997473_100000086093 [0,2,0,0,0,0|2,0,0]=4 10384 B12R1.28 OCCNCc1cccc(n1)Cl 270004a_100000210304_100011361687 [0,2,0,0,0,0|2,0,0]=4 10385 B12R1.28 OCCNCc1cccc(n1)Cl 34a_100016990907_100000086093 [0,2,0,0,0,0|2,0,0]=4 10386 B12R1.28 OCCNCc1cccc(n1)F 2230a_100015188798_100000211926 [0,2,0,0,0,0|2,0,0]=4 10387 B12R1.28 OCCNCc1cccc(n1)F 2230a_100016997473_100009819644 [0,2,0,0,0,0|2,0,0]=4 10388 B12R1.28 OCCNCc1cccc(n1)F 270004a_100000210304_100000050434 [0,2,0,0,0,0|2,0,0]=4 10389 B12R1.28 OCCNCc1cccc(n1)F 34a_100015188798_100000211926 [0,2,0,0,0,0|2,0,0]=4 10390 B12R1.28 OCCNCc1cccc(n1)F 34a_100016990907_100009819644 [0,2,0,0,0,0|2,0,0]=4 10391 B12R1.28 OCCOCc1cc(ccn1)Cl 34a_100000748867_100000211926 [0,2,0,0,0,0|2,0,0]=4 10392 B12R1.28 OCCOCc1cccc(n1)Br 34a_100000694195_100000211926 [0,2,0,0,0,0|2,0,0]=4 10393 B12R1.28 OCCOCc1cccc(n1)Cl 34a_100011998359_100000211926 [0,2,0,0,0,0|2,0,0]=4 10394 B12R1.28 OCCOCc1cccc(n1)F 34a_100000086748_100000211926 [0,2,0,0,0,0|2,0,0]=4 10395 B12R1.28 OCCSCc1cc(ccn1)Br 62a_100000211926_100010173614 [0,2,0,0,0,0|2,0,0]=4 10396 B12R1.28 OCCSCc1cc(ccn1)Br 62a_100010173614_100000211926 [0,2,0,0,0,0|2,0,0]=4 10397 B12R1.28 OCCSCc1cc(ccn1)Cl 62a_100000211926_100016988179 [0,2,0,0,0,0|2,0,0]=4 10398 B12R1.28 OCCSCc1cc(ccn1)Cl 62a_100016988179_100000211926 [0,2,0,0,0,0|2,0,0]=4 10399 B12R1.28 OCCSCc1cccc(n1)Br 62a_100000211926_100009889011 [0,2,0,0,0,0|2,0,0]=4 10400 B12R1.28 OCCSCc1cccc(n1)Br 62a_100009889011_100000211926 [0,2,0,0,0,0|2,0,0]=4 10401 B12R1.28 OCCSCc1cccc(n1)Cl 62a_100000086093_100000211926 [0,2,0,0,0,0|2,0,0]=4 10402 B12R1.28 OCCSCc1cccc(n1)Cl 62a_100000211926_100000086093 [0,2,0,0,0,0|2,0,0]=4 10403 B12R1.28 OCCSCc1cccc(n1)F 62a_100000211926_100009819644 [0,2,0,0,0,0|2,0,0]=4 10404 B12R1.28 OCCSCc1cccc(n1)F 62a_100009819644_100000211926 [0,2,0,0,0,0|2,0,0]=4 10405 B12R1.28 Oc1cccc(c1)CCNCF 34a_100000747277_100015361967 [0,2,0,0,0,0|1,0,0]=3 10406 B12R1.28 Oc1ccnc(c1)SCCCF 62a_100011934791_100000762945 [0,2,0,0,0,0|2,0,0]=4 10407 B12R1.28 [13CH3]NCCCc1cccc(c1)Br 2230a_100000753791_200025704644 [0,2,0,0,0,0|1,0,0]=3 10408 B12R1.28 [13CH3]NCCCc1cccc(c1)Br 34a_100000753791_200025704644 [0,2,0,0,0,0|1,0,0]=3 10409 B12R1.28 [13CH3]NCCCc1cccc(c1)Cl 2230a_100000704586_200025704644 [0,2,0,0,0,0|1,0,0]=3 10410 B12R1.28 [13CH3]NCCCc1cccc(c1)Cl 34a_100000704586_200025704644 [0,2,0,0,0,0|1,0,0]=3 10411 B12R1.28 [13CH3]NCCCc1cccc(c1)F 2230a_100000754185_200025704644 [0,2,0,0,0,0|1,0,0]=3 10412 B12R1.28 [13CH3]NCCCc1cccc(c1)F 34a_100000754185_200025704644 [0,2,0,0,0,0|1,0,0]=3 10413 B12R1.28 [13CH3]NCCOc1cccc(c1)Br 2230a_100000743521_200025704644 [0,2,0,0,0,0|1,0,0]=3 10414 B12R1.28 [13CH3]NCCOc1cccc(c1)Br 34a_100000743521_200025704644 [0,2,0,0,0,0|1,0,0]=3 10415 B12R1.28 [13CH3]NCCOc1cccc(c1)Cl 2230a_100000740232_200025704644 [0,2,0,0,0,0|1,0,0]=3 10416 B12R1.28 [13CH3]NCCOc1cccc(c1)Cl 34a_100000740232_200025704644 [0,2,0,0,0,0|1,0,0]=3 10417 B12R1.28 [13CH3]NCCOc1cccc(c1)F 2230a_100000738948_200025704644 [0,2,0,0,0,0|1,0,0]=3 10418 B12R1.28 [13CH3]NCCOc1cccc(c1)F 34a_100000738948_200025704644 [0,2,0,0,0,0|1,0,0]=3 10419 B12R1.28 [13CH3]OCCCc1cccc(c1)Br 34a_100011709248_200025704644 [0,2,0,0,0,0|2,0,0]=4 10420 B12R1.28 [13CH3]OCCCc1cccc(c1)Br 7a_100011709248_200025704644 [0,2,0,0,0,0|2,0,0]=4 10421 B12R1.28 [13CH3]OCCCc1cccc(c1)Cl 34a_100011709246_200025704644 [0,2,0,0,0,0|2,0,0]=4 10422 B12R1.28 [13CH3]OCCCc1cccc(c1)Cl 7a_100011709246_200025704644 [0,2,0,0,0,0|2,0,0]=4 10423 B12R1.28 [13CH3]OCCCc1cccc(c1)N 34a_200000698965_200025704644 [0,2,0,0,0,0|2,0,0]=4 10424 B12R1.28 [13CH3]OCCCc1cccc(c1)N 7a_200000698965_200025704644 [0,2,0,0,0,0|2,0,0]=4 10425 B12R1.28 [13CH3]OCCNc1cccc(n1)F 34a_200011432718_200025704644 [0,2,0,0,0,0|1,0,0]=3 10426 B12R1.28 [13CH3]OCCOc1cccc(c1)Br 34a_100000757546_200025704644 [0,2,0,0,0,0|2,0,0]=4 10427 B12R1.28 [13CH3]OCCOc1cccc(c1)Br 7a_100000757546_200025704644 [0,2,0,0,0,0|2,0,0]=4 10428 B12R1.28 [13CH3]OCCOc1cccc(c1)Cl 34a_100000230539_200025704644 [0,2,0,0,0,0|2,0,0]=4 10429 B12R1.28 [13CH3]OCCOc1cccc(c1)Cl 7a_100000230539_200025704644 [0,2,0,0,0,0|2,0,0]=4 10430 B12R1.28 [13CH3]OCCOc1cccc(c1)N 34a_100011232151_200025704644 [0,2,0,0,0,0|2,0,0]=4 10431 B12R1.28 [13CH3]OCCSc1cccc(c1)Br 7a_200011756134_200025704644 [0,2,0,0,0,0|2,0,0]=4 10432 B12R1.28 [13CH3]OCCSc1cccc(c1)Cl 34a_200011721761_200025704644 [0,2,0,0,0,0|2,0,0]=4 10433 B12R1.28 [13CH3]OCCSc1cccc(c1)Cl 7a_200011721761_200025704644 [0,2,0,0,0,0|2,0,0]=4 10434 B12R1.28 [13CH3]OCCSc1cccc(c1)F 34a_200011996949_200025704644 [0,2,0,0,0,0|2,0,0]=4 10435 B12R1.28 [13CH3]OCCSc1cccc(c1)F 7a_200011996949_200025704644 [0,2,0,0,0,0|2,0,0]=4 10436 B12R1.28 [13CH3]SCCCc1cccc(c1)Br 62a_100011713683_200025704644 [0,2,0,0,0,0|2,0,0]=4 10437 B12R1.28 [13CH3]SCCCc1cccc(c1)Br 62a_200025704644_100011713683 [0,2,0,0,0,0|2,0,0]=4 10438 B12R1.28 [13CH3]SCCCc1cccc(c1)F 62a_200000698031_200025704644 [0,2,0,0,0,0|2,0,0]=4 10439 B12R1.28 [13CH3]SCCCc1cccc(c1)F 62a_200025704644_200000698031 [0,2,0,0,0,0|2,0,0]=4 10440 B12R1.28 [13CH3]SCCOc1cccc(c1)Br 62a_100000183150_200025704644 [0,2,0,0,0,0|2,0,0]=4 10441 B12R1.28 [13CH3]SCCOc1cccc(c1)Br 62a_200025704644_100000183150 [0,2,0,0,0,0|2,0,0]=4 10442 B12R1.28 [13CH3]SCCOc1cccc(c1)Cl 62a_100000181161_200025704644 [0,2,0,0,0,0|2,0,0]=4 10443 B12R1.28 [13CH3]SCCOc1cccc(c1)Cl 62a_200025704644_100000181161 [0,2,0,0,0,0|2,0,0]=4 10444 B12R1.28 [13CH3]SCCOc1cccc(c1)F 62a_100000739188_200025704644 [0,2,0,0,0,0|2,0,0]=4 10445 B12R1.28 [13CH3]SCCOc1cccc(c1)F 62a_200025704644_100000739188 [0,2,0,0,0,0|2,0,0]=4 10446 B12R1.50 CCC(=O)Cc1cc(ccn1)Br 1458a_100000210414_100010173614 [0,2,0,0,0,0|1,0,1]=4 10447 B12R1.50 CCC(=O)Cc1cc(ccn1)C 1458a_100000210414_100000718516 [0,2,0,0,0,0|1,0,1]=4 10448 B12R1.50 CCC(=O)Cc1cc(ccn1)Cl 1458a_100000210414_100016988179 [0,2,0,0,0,0|1,0,1]=4 10449 B12R1.50 CCC(=O)Cc1cccc(n1)Br 1458a_100000210414_100009889011 [0,2,0,0,0,0|1,0,1]=4 10450 B12R1.50 CCC(=O)Cc1cccc(n1)Br 1458a_100010201708_100000210202 [0,2,0,0,0,0|1,0,1]=4 10451 B12R1.50 CCC(=O)Cc1cccc(n1)C 1458a_100000210414_100000757606 [0,2,0,0,0,0|1,0,1]=4 10452 B12R1.50 CCC(=O)Cc1cccc(n1)C 1458a_100012001110_100000210202 [0,2,0,0,0,0|1,0,1]=4 10453 B12R1.50 CCC(=O)Cc1cccc(n1)Cl 1458a_100000090259_100000210202 [0,2,0,0,0,0|1,0,1]=4 10454 B12R1.50 CCC(=O)Cc1cccc(n1)Cl 1458a_100000210414_100000086093 [0,2,0,0,0,0|1,0,1]=4 10455 B12R1.50 CCC(=O)Cc1cccc(n1)F 1458a_100000096803_100000210202 [0,2,0,0,0,0|1,0,1]=4 10456 B12R1.50 CCC(=O)Cc1cccc(n1)F 1458a_100000210414_100009819644 [0,2,0,0,0,0|1,0,1]=4 10457 B12R1.50 CCC(C)Oc1cccc(n1)F 34a_100011432558_100011215416 [0,2,0,0,0,0|2,0,0]=4 10458 B12R1.50 CCC(C)Sc1cc(ccn1)C 62a_100000750283_100000758301 [0,2,0,0,0,0|2,0,0]=4 10459 B12R1.50 CCC(C)Sc1cc(ccn1)C 62a_100000758301_100000750283 [0,2,0,0,0,0|2,0,0]=4 10460 B12R1.50 CCC(C)Sc1cc(ccn1)Cl 62a_100000758301_100010167805 [0,2,0,0,0,0|2,0,0]=4 10461 B12R1.50 CCC(C)Sc1cc(ccn1)Cl 62a_100010167805_100000758301 [0,2,0,0,0,0|2,0,0]=4 10462 B12R1.50 CCC(C)Sc1cc(ccn1)F 62a_100000758301_100000764206 [0,2,0,0,0,0|2,0,0]=4 10463 B12R1.50 CCC(C)Sc1cc(ccn1)F 62a_100000764206_100000758301 [0,2,0,0,0,0|2,0,0]=4 10464 B12R1.50 CCC(C)Sc1cc(ccn1)N 62a_100000758301_100009814236 [0,2,0,0,0,0|2,0,0]=4 10465 B12R1.50 CCC(C)Sc1cc(ccn1)N 62a_100009814236_100000758301 [0,2,0,0,0,0|2,0,0]=4 10466 B12R1.50 CCC(C)Sc1cc(ccn1)O 62a_100000758301_100000762945 [0,2,0,0,0,0|2,0,0]=4 10467 B12R1.50 CCC(C)Sc1cccc(n1)Br 62a_100000684672_100000758301 [0,2,0,0,0,0|2,0,0]=4 10468 B12R1.50 CCC(C)Sc1cccc(n1)Br 62a_100000758301_100000684672 [0,2,0,0,0,0|2,0,0]=4 10469 B12R1.50 CCC(C)Sc1cccc(n1)C 62a_100000742759_100000758301 [0,2,0,0,0,0|2,0,0]=4 10470 B12R1.50 CCC(C)Sc1cccc(n1)C 62a_100000758301_100000742759 [0,2,0,0,0,0|2,0,0]=4 10471 B12R1.50 CCC(C)Sc1cccc(n1)Cl 62a_100000051397_100000758301 [0,2,0,0,0,0|2,0,0]=4 10472 B12R1.50 CCC(C)Sc1cccc(n1)Cl 62a_100000758301_100000051397 [0,2,0,0,0,0|2,0,0]=4 10473 B12R1.50 CCC(C)Sc1cccc(n1)F 62a_100000758301_100009815982 [0,2,0,0,0,0|2,0,0]=4 10474 B12R1.50 CCC(C)Sc1cccc(n1)F 62a_100009815982_100000758301 [0,2,0,0,0,0|2,0,0]=4 10475 B12R1.50 CCC(C)Sc1cccc(n1)N 62a_100000740741_100000758301 [0,2,0,0,0,0|2,0,0]=4 10476 B12R1.50 CCC(C)Sc1cccc(n1)N 62a_100000758301_100000740741 [0,2,0,0,0,0|2,0,0]=4 10477 B12R1.50 CCN(C)Cc1cc(ccn1)Br 2230a_100000225621_100010173614 [0,2,0,0,0,0|2,0,0]=4 10478 B12R1.50 CCN(C)Cc1cc(ccn1)Br 269982a_100000225621_100010173614 [0,2,0,0,0,0|2,0,0]=4 10479 B12R1.50 CCN(C)Cc1cc(ccn1)C 2230a_100000225621_100000718516 [0,2,0,0,0,0|2,0,0]=4 10480 B12R1.50 CCN(C)Cc1cc(ccn1)C 2230a_106354213154_100000210202 [0,2,0,0,0,0|2,0,0]=4 10481 B12R1.50 CCN(C)Cc1cc(ccn1)C 269982a_100000225621_100000718516 [0,2,0,0,0,0|2,0,0]=4 10482 B12R1.50 CCN(C)Cc1cc(ccn1)C 269982a_106354213154_100000204670 [0,2,0,0,0,0|2,0,0]=4 10483 B12R1.50 CCN(C)Cc1cc(ccn1)Cl 2230a_100000225621_100016988179 [0,2,0,0,0,0|2,0,0]=4 10484 B12R1.50 CCN(C)Cc1cc(ccn1)Cl 2230a_100102954512_100000210202 [0,2,0,0,0,0|2,0,0]=4 10485 B12R1.50 CCN(C)Cc1cc(ccn1)Cl 269982a_100000225621_100016988179 [0,2,0,0,0,0|2,0,0]=4 10486 B12R1.50 CCN(C)Cc1cc(ccn1)Cl 269982a_100102954512_100000204670 [0,2,0,0,0,0|2,0,0]=4 10487 B12R1.50 CCN(C)Cc1cccc(n1)Br 2230a_100000225621_100009889011 [0,2,0,0,0,0|2,0,0]=4 10488 B12R1.50 CCN(C)Cc1cccc(n1)Br 2230a_106354212997_100000210202 [0,2,0,0,0,0|2,0,0]=4 10489 B12R1.50 CCN(C)Cc1cccc(n1)Br 269982a_100000225621_100009889011 [0,2,0,0,0,0|2,0,0]=4 10490 B12R1.50 CCN(C)Cc1cccc(n1)Br 269982a_106354212997_100000204670 [0,2,0,0,0,0|2,0,0]=4 10491 B12R1.50 CCN(C)Cc1cccc(n1)C 2230a_100000225621_100000757606 [0,2,0,0,0,0|2,0,0]=4 10492 B12R1.50 CCN(C)Cc1cccc(n1)C 2230a_100000687132_100000210202 [0,2,0,0,0,0|2,0,0]=4 10493 B12R1.50 CCN(C)Cc1cccc(n1)C 269982a_100000225621_100000757606 [0,2,0,0,0,0|2,0,0]=4 10494 B12R1.50 CCN(C)Cc1cccc(n1)C 269982a_100000687132_100000204670 [0,2,0,0,0,0|2,0,0]=4 10495 B12R1.50 CCN(C)Cc1cccc(n1)Cl 2230a_100000225621_100000086093 [0,2,0,0,0,0|2,0,0]=4 10496 B12R1.50 CCN(C)Cc1cccc(n1)Cl 269982a_100000225621_100000086093 [0,2,0,0,0,0|2,0,0]=4 10497 B12R1.50 CCN(C)Cc1cccc(n1)F 2230a_100000225621_100009819644 [0,2,0,0,0,0|2,0,0]=4 10498 B12R1.50 CCN(C)Cc1cccc(n1)F 269982a_100000225621_100009819644 [0,2,0,0,0,0|2,0,0]=4 10499 B12R1.50 CNC(=O)Cc1cccc(c1)Br 11a_106832991635_100000747190 [0,2,0,0,0,0|1,0,1]=4 10500 B12R1.50 CNC(=O)Cc1cccc(c1)Br 240690a_100102657272_100000747190 [0,2,0,0,0,0|1,0,1]=4 10501 B12R1.50 CNC(=O)Cc1cccc(c1)Br 527a_100102657272_100000747190 [0,2,0,0,0,0|1,0,1]=4 10502 B12R1.50 CNC(=O)Cc1cccc(c1)C 11a_106832991635_100011206899 [0,2,0,0,0,0|1,0,1]=4 10503 B12R1.50 CNC(=O)Cc1cccc(c1)C 1626a_100102657272_100011206899 [0,2,0,0,0,0|1,0,1]=4 10504 B12R1.50 CNC(=O)Cc1cccc(c1)C 240690a_100102657272_100011206899 [0,2,0,0,0,0|1,0,1]=4 10505 B12R1.50 CNC(=O)Cc1cccc(c1)C 527a_100102657272_100011206899 [0,2,0,0,0,0|1,0,1]=4 10506 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 11a_106832991635_100000749307 [0,2,0,0,0,0|1,0,1]=4 10507 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 1626a_100102657272_100000749307 [0,2,0,0,0,0|1,0,1]=4 10508 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 240690a_100102657272_100000749307 [0,2,0,0,0,0|1,0,1]=4 10509 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 527a_100102657272_100000749307 [0,2,0,0,0,0|1,0,1]=4 10510 B12R1.50 CNC(=O)Cc1cccc(c1)F 11a_106832991635_100000211661 [0,2,0,0,0,0|1,0,1]=4 10511 B12R1.50 CNC(=O)Cc1cccc(c1)F 1626a_100102657272_100000211661 [0,2,0,0,0,0|1,0,1]=4 10512 B12R1.50 CNC(=O)Cc1cccc(c1)F 240690a_100102657272_100000211661 [0,2,0,0,0,0|1,0,1]=4 10513 B12R1.50 CNC(=O)Cc1cccc(c1)F 527a_100102657272_100000211661 [0,2,0,0,0,0|1,0,1]=4 10514 B12R1.50 CNC(=O)Cc1cccc(c1)I 11a_106832991635_100000238430 [0,2,0,0,0,0|1,0,1]=4 10515 B12R1.50 CNC(=O)Cc1cccc(c1)I 1626a_100102657272_100000238430 [0,2,0,0,0,0|1,0,1]=4 10516 B12R1.50 CNC(=O)Cc1cccc(c1)I 240690a_100102657272_100000238430 [0,2,0,0,0,0|1,0,1]=4 10517 B12R1.50 CNC(=O)Cc1cccc(c1)I 527a_100102657272_100000238430 [0,2,0,0,0,0|1,0,1]=4 10518 B12R1.50 CNC(=O)Cc1cccc(c1)O 240690a_100102657272_100000745134 [0,2,0,0,0,0|1,0,1]=4 10519 B12R1.50 CNC(=O)Cc1cccc(c1)O 527a_100102657272_100000745134 [0,2,0,0,0,0|1,0,1]=4 10520 B12R1.50 CNC(=O)Cc1cccc(n1)Br 11a_106832991635_100010201708 [0,2,0,0,0,0|0,0,1]=3 10521 B12R1.50 CNC(=O)Cc1cccc(n1)Br 240690a_100102657272_100010201708 [0,2,0,0,0,0|0,0,1]=3 10522 B12R1.50 CNC(=O)Cc1cccc(n1)Br 527a_100102657272_100010201708 [0,2,0,0,0,0|0,0,1]=3 10523 B12R1.50 CNC(=O)Cc1cccc(n1)C 11a_106832991635_100012001110 [0,2,0,0,0,0|0,0,1]=3 10524 B12R1.50 CNC(=O)Cc1cccc(n1)C 1626a_100102657272_100012001110 [0,2,0,0,0,0|0,0,1]=3 10525 B12R1.50 CNC(=O)Cc1cccc(n1)C 240690a_100102657272_100012001110 [0,2,0,0,0,0|0,0,1]=3 10526 B12R1.50 CNC(=O)Cc1cccc(n1)C 527a_100102657272_100012001110 [0,2,0,0,0,0|0,0,1]=3 10527 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 11a_106832991635_100000090259 [0,2,0,0,0,0|0,0,1]=3 10528 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 1626a_100102657272_100000090259 [0,2,0,0,0,0|0,0,1]=3 10529 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 240690a_100102657272_100000090259 [0,2,0,0,0,0|0,0,1]=3 10530 B12R1.50 CNC(=O)Cc1cccc(n1)F 11a_106832991635_100000096803 [0,2,0,0,0,0|0,0,1]=3 10531 B12R1.50 CNC(=O)Cc1cccc(n1)F 1626a_100102657272_100000096803 [0,2,0,0,0,0|0,0,1]=3 10532 B12R1.50 CNC(=O)Cc1cccc(n1)F 240690a_100102657272_100000096803 [0,2,0,0,0,0|0,0,1]=3 10533 B12R1.50 CNC(=O)Cc1cncc(n1)Cl 11a_106832991635_100000095580 [0,2,0,0,0,0|1,0,1]=4 10534 B12R1.50 CNC(=O)Cc1cncc(n1)Cl 1626a_100102657272_100000095580 [0,2,0,0,0,0|1,0,1]=4 10535 B12R1.50 CNC(=O)Cc1cncc(n1)Cl 240690a_100102657272_100000095580 [0,2,0,0,0,0|1,0,1]=4 10536 B12R1.50 CNC(=O)Cc1cncc(n1)Cl 527a_100102657272_100000095580 [0,2,0,0,0,0|1,0,1]=4 10537 B12R1.50 CNC(C)Cc1cc(ccn1)C 270004a_106832991635_200015184229 [0,2,0,0,0,0|0,0,0]=2 10538 B12R1.50 CNC(C)Cc1cccc(c1)Br 270004a_106832991635_100000689217 [0,2,0,0,0,0|1,0,0]=3 10539 B12R1.50 CNC(C)Cc1cccc(c1)Cl 270004a_106832991635_100000727212 [0,2,0,0,0,0|1,0,0]=3 10540 B12R1.50 CNC(C)Cc1cccc(c1)F 270004a_106832991635_100000687711 [0,2,0,0,0,0|1,0,0]=3 10541 B12R1.50 COC(=O)Cc1cc(ccn1)O 271570a_203496583355_100010275543 [0,2,0,0,0,0|1,0,1]=4 10542 B12R1.50 COC(=O)Cc1cccc(n1)O 271570a_203496583355_100000094215 [0,2,0,0,0,0|1,0,1]=4 10543 B12R1.50 COC(C)Cc1cccc(n1)C 34a_200015421231_200000210301 [0,2,0,0,0,0|1,0,0]=3 10544 B12R1.50 COC(C)Sc1cc(ccn1)C 62a_100000750283_100009879195 [0,2,0,0,0,0|2,0,0]=4 10545 B12R1.50 COC(C)Sc1cc(ccn1)C 62a_100009879195_100000750283 [0,2,0,0,0,0|2,0,0]=4 10546 B12R1.50 COC(C)Sc1cc(ccn1)Cl 62a_100009879195_100010167805 [0,2,0,0,0,0|2,0,0]=4 10547 B12R1.50 COC(C)Sc1cc(ccn1)Cl 62a_100010167805_100009879195 [0,2,0,0,0,0|2,0,0]=4 10548 B12R1.50 COC(C)Sc1cc(ccn1)F 62a_100000764206_100009879195 [0,2,0,0,0,0|2,0,0]=4 10549 B12R1.50 COC(C)Sc1cc(ccn1)F 62a_100009879195_100000764206 [0,2,0,0,0,0|2,0,0]=4 10550 B12R1.50 COC(C)Sc1cc(ccn1)N 62a_100009814236_100009879195 [0,2,0,0,0,0|2,0,0]=4 10551 B12R1.50 COC(C)Sc1cc(ccn1)N 62a_100009879195_100009814236 [0,2,0,0,0,0|2,0,0]=4 10552 B12R1.50 COC(C)Sc1cc(ccn1)O 62a_100009879195_100000762945 [0,2,0,0,0,0|2,0,0]=4 10553 B12R1.50 COC(C)Sc1cccc(n1)Br 62a_100000684672_100009879195 [0,2,0,0,0,0|2,0,0]=4 10554 B12R1.50 COC(C)Sc1cccc(n1)Br 62a_100009879195_100000684672 [0,2,0,0,0,0|2,0,0]=4 10555 B12R1.50 COC(C)Sc1cccc(n1)C 62a_100000742759_100009879195 [0,2,0,0,0,0|2,0,0]=4 10556 B12R1.50 COC(C)Sc1cccc(n1)C 62a_100009879195_100000742759 [0,2,0,0,0,0|2,0,0]=4 10557 B12R1.50 COC(C)Sc1cccc(n1)Cl 62a_100000051397_100009879195 [0,2,0,0,0,0|2,0,0]=4 10558 B12R1.50 COC(C)Sc1cccc(n1)Cl 62a_100009879195_100000051397 [0,2,0,0,0,0|2,0,0]=4 10559 B12R1.50 COC(C)Sc1cccc(n1)F 62a_100009815982_100009879195 [0,2,0,0,0,0|2,0,0]=4 10560 B12R1.50 COC(C)Sc1cccc(n1)F 62a_100009879195_100009815982 [0,2,0,0,0,0|2,0,0]=4 10561 B12R1.50 COC(C)Sc1cccc(n1)N 62a_100000740741_100009879195 [0,2,0,0,0,0|2,0,0]=4 10562 B12R1.50 COC(C)Sc1cccc(n1)N 62a_100009879195_100000740741 [0,2,0,0,0,0|2,0,0]=4 10563 B12R1.50 Cc1cccc(n1)CC(C)O[13CH3] 34a_200015421231_200025704644 [0,2,0,0,0,0|1,0,0]=3 10564 B12R1.100 CCCCc1cc(cc(c1)Br)Br 271570a_100020621405_100009814770 [0,2,0,0,0,0|2,0,0]=4 10565 B12R1.100 CCCCc1cc(cc(c1)Br)Cl 271570a_100020621405_100009814755 [0,2,0,0,0,0|2,0,0]=4 10566 B12R1.100 CCCCc1cc(cc(c1)Br)F 271570a_100020621405_100009814764 [0,2,0,0,0,0|2,0,0]=4 10567 B12R1.100 CCCCc1cc(cc(c1)Br)N 271570a_100020621405_100009814763 [0,2,0,0,0,0|2,0,0]=4 10568 B12R1.100 CCCCc1cc(cc(c1)Br)O 271570a_100020621405_100010068917 [0,2,0,0,0,0|2,0,0]=4 10569 B12R1.100 CCCCc1cc(cc(c1)C)C 271570a_100020621405_100011215608 [0,2,0,0,0,0|2,0,0]=4 10570 B12R1.100 CCCCc1cc(cc(c1)Cl)C 271570a_100020621405_100010172791 [0,2,0,0,0,0|2,0,0]=4 10571 B12R1.100 CCCCc1cc(cc(c1)Cl)Cl 271570a_100020621405_100000747138 [0,2,0,0,0,0|2,0,0]=4 10572 B12R1.100 CCCCc1cc(cc(c1)Cl)F 271570a_100020621405_100013859453 [0,2,0,0,0,0|2,0,0]=4 10573 B12R1.100 CCCCc1cc(cc(c1)Cl)N 271570a_100020621405_100010147676 [0,2,0,0,0,0|2,0,0]=4 10574 B12R1.100 CCCCc1cc(cc(c1)Cl)O 271570a_100020621405_100010068924 [0,2,0,0,0,0|2,0,0]=4 10575 B12R1.100 CCCCc1cc(cc(c1)F)C 271570a_100020621405_100011356977 [0,2,0,0,0,0|2,0,0]=4 10576 B12R1.100 CCCCc1cc(cc(c1)F)F 271570a_100020621405_100011218498 [0,2,0,0,0,0|2,0,0]=4 10577 B12R1.100 CCCCc1cc(cc(c1)F)N 271570a_100020621405_100011356972 [0,2,0,0,0,0|2,0,0]=4 10578 B12R1.100 CCCCc1cc(cc(c1)F)O 271570a_100020621405_100000717995 [0,2,0,0,0,0|2,0,0]=4 10579 B12R1.100 CCCCc1cc(cc(c1)N)C 271570a_100020621405_100000695972 [0,2,0,0,0,0|2,0,0]=4 10580 B12R1.100 CCCCc1cc(cc(c1)N)N 271570a_100020621405_100011999608 [0,2,0,0,0,0|2,0,0]=4 10581 B12R1.100 CCCCc1cc(cc(c1)O)C 271570a_100020621405_100011999630 [0,2,0,0,0,0|2,0,0]=4 10582 B12R1.100 CCCCc1cc(cc(c1)O)O 271570a_100020621405_100009868816 [0,2,0,0,0,0|2,0,0]=4 10583 B12R1.100 CCCCc1cc(cc(n1)C)C 271570a_100020621405_100000069240 [0,2,0,0,0,0|1,0,0]=3 10584 B12R1.100 CCCCc1cc(cc(n1)F)C 271570a_100020621405_100009819601 [0,2,0,0,0,0|1,0,0]=3 10585 B12R1.100 CCCCc1cc(cc(n1)N)C 271570a_100020621405_100009819863 [0,2,0,0,0,0|1,0,0]=3 10586 B12R1.100 CCCCc1cc(nc(n1)C)C 271570a_100020621405_100000736142 [0,2,0,0,0,0|2,0,0]=4 10587 B12R1.100 CCCCc1cc(nc(n1)C)N 271570a_100020621405_100012178882 [0,2,0,0,0,0|2,0,0]=4 10588 B12R1.100 CCCCc1cc(nc(n1)C)O 271570a_100020621405_106741647437 [0,2,0,0,0,0|2,0,0]=4 10589 B12R1.100 CCCCc1cc(nc(n1)N)C 271570a_100020621405_100000183061 [0,2,0,0,0,0|2,0,0]=4 10590 B12R1.100 CCCCc1cc(nc(n1)N)N 271570a_100020621405_100011177858 [0,2,0,0,0,0|2,0,0]=4 10591 B12R1.100 CCCCc1cc(nc(n1)N)O 271570a_100020621405_100000694715 [0,2,0,0,0,0|2,0,0]=4 10592 B12R1.100 CCCCc1nc(cc(n1)C)C 271570a_100020621405_100000736147 [0,2,0,0,0,0|2,0,0]=4 10593 B12R1.100 CCCCc1nc(cc(n1)N)C 271570a_100020621405_100000687285 [0,2,0,0,0,0|2,0,0]=4 10594 B12R1.100 CCCSc1cc(cc(n1)C)C 62a_100000069240_100000210303 [0,2,0,0,0,0|2,0,0]=4 10595 B12R1.100 CCCSc1cc(cc(n1)C)C 62a_100000210303_100000069240 [0,2,0,0,0,0|2,0,0]=4 10596 B12R1.100 CCCSc1cc(cc(n1)C)N 62a_100000071261_100000210303 [0,2,0,0,0,0|2,0,0]=4 10597 B12R1.100 CCCSc1cc(cc(n1)C)N 62a_100000210303_100000071261 [0,2,0,0,0,0|2,0,0]=4 10598 B12R1.100 CCCSc1cc(cc(n1)F)C 62a_100000210303_100009819601 [0,2,0,0,0,0|2,0,0]=4 10599 B12R1.100 CCCSc1cc(cc(n1)F)C 62a_100009819601_100000210303 [0,2,0,0,0,0|2,0,0]=4 10600 B12R1.100 CCCSc1cc(cc(n1)N)C 62a_100000210303_100009819863 [0,2,0,0,0,0|2,0,0]=4 10601 B12R1.100 CCCSc1cc(cc(n1)N)C 62a_100009819863_100000210303 [0,2,0,0,0,0|2,0,0]=4 10602 B12R1.100 CCCSc1cc(cc(n1)O)N 62a_100000210303_200012179554 [0,2,0,0,0,0|2,0,0]=4 10603 B12R1.100 CCNCc1cc(cc(n1)C)Br 270004a_100015525214_100009814795 [0,2,0,0,0,0|2,0,0]=4 10604 B12R1.100 CCNCc1cc(cc(n1)C)C 2230a_100015525214_100012357514 [0,2,0,0,0,0|2,0,0]=4 10605 B12R1.100 CCNCc1cc(cc(n1)Cl)Cl 270004a_100015525214_200009876806 [0,2,0,0,0,0|2,0,0]=4 10606 B12R1.100 CCOCc1cc(cc(n1)C)Br 34a_100010178681_100000210202 [0,2,0,0,0,0|2,0,0]=4 10607 B12R1.100 CCOCc1cc(cc(n1)C)C 34a_100012182918_100000210202 [0,2,0,0,0,0|2,0,0]=4 10608 B12R1.100 CCOCc1cc(cc(n1)C)C 34a_100121572206_100012357514 [0,2,0,0,0,0|2,0,0]=4 10609 B12R1.100 CCSCc1cc(cc(n1)C)C 62a_100000210202_100012357514 [0,2,0,0,0,0|2,0,0]=4 10610 B12R1.100 CCSCc1cc(cc(n1)C)C 62a_100012357514_100000210202 [0,2,0,0,0,0|2,0,0]=4 10611 B12R1.100 CNCCc1cc(cc(c1)Cl)Cl 2230a_100000746052_200000210301 [0,2,0,0,0,0|1,0,0]=3 10612 B12R1.100 CNCCc1cc(cc(c1)Cl)Cl 2230a_106832991635_100000691793 [0,2,0,0,0,0|1,0,0]=3 10613 B12R1.100 CNCCc1cc(cc(c1)Cl)Cl 34a_100000746052_200000210301 [0,2,0,0,0,0|1,0,0]=3 10614 B12R1.100 CNCCc1cc(cc(c1)Cl)Cl 34a_100102657272_100000691793 [0,2,0,0,0,0|1,0,0]=3 10615 B12R1.100 CNCCc1cc(cc(c1)Cl)Cl 7a_106832991635_100000691793 [0,2,0,0,0,0|1,0,0]=3 10616 B12R1.100 CNCCc1cc(cc(c1)F)F 2230a_100000748410_200000210301 [0,2,0,0,0,0|1,0,0]=3 10617 B12R1.100 CNCCc1cc(cc(c1)F)F 2230a_106832991635_100011754442 [0,2,0,0,0,0|1,0,0]=3 10618 B12R1.100 CNCCc1cc(cc(c1)F)F 34a_100000748410_200000210301 [0,2,0,0,0,0|1,0,0]=3 10619 B12R1.100 CNCCc1cc(cc(c1)F)F 34a_100102657272_100011754442 [0,2,0,0,0,0|1,0,0]=3 10620 B12R1.100 CNCCc1cc(cc(c1)F)F 7a_106832991635_100011754442 [0,2,0,0,0,0|1,0,0]=3 10621 B12R1.100 COCCc1cc(cc(c1)Br)Br 34a_100010243668_200000210301 [0,2,0,0,0,0|2,0,0]=4 10622 B12R1.100 COCCc1cc(cc(c1)Br)Br 7a_100010243668_200000210301 [0,2,0,0,0,0|2,0,0]=4 10623 B12R1.100 COCCc1cc(cc(c1)Br)F 34a_100012630564_200000210301 [0,2,0,0,0,0|2,0,0]=4 10624 B12R1.100 COCCc1cc(cc(c1)Br)F 7a_100012630564_200000210301 [0,2,0,0,0,0|2,0,0]=4 10625 B12R1.100 COCCc1cc(cc(c1)Cl)Cl 34a_100000720051_200000210301 [0,2,0,0,0,0|2,0,0]=4 10626 B12R1.100 COCCc1cc(cc(c1)Cl)Cl 34a_100138415774_100000691793 [0,2,0,0,0,0|2,0,0]=4 10627 B12R1.100 COCCc1cc(cc(c1)Cl)Cl 7a_100000720051_200000210301 [0,2,0,0,0,0|2,0,0]=4 10628 B12R1.100 COCCc1cc(cc(c1)F)F 34a_100011754358_200000210301 [0,2,0,0,0,0|2,0,0]=4 10629 B12R1.100 COCCc1cc(cc(c1)F)F 34a_100138415774_100011754442 [0,2,0,0,0,0|2,0,0]=4 10630 B12R1.100 COCCc1cc(cc(c1)F)F 7a_100011754358_200000210301 [0,2,0,0,0,0|2,0,0]=4 10631 B12R1.100 COCSc1cc(cc(n1)C)C 62a_100000069240_100000766300 [0,2,0,0,0,0|2,0,0]=4 10632 B12R1.100 COCSc1cc(cc(n1)C)C 62a_100000766300_100000069240 [0,2,0,0,0,0|2,0,0]=4 10633 B12R1.100 COCSc1cc(cc(n1)C)N 62a_100000071261_100000766300 [0,2,0,0,0,0|2,0,0]=4 10634 B12R1.100 COCSc1cc(cc(n1)C)N 62a_100000766300_100000071261 [0,2,0,0,0,0|2,0,0]=4 10635 B12R1.100 COCSc1cc(cc(n1)F)C 62a_100000766300_100009819601 [0,2,0,0,0,0|2,0,0]=4 10636 B12R1.100 COCSc1cc(cc(n1)F)C 62a_100009819601_100000766300 [0,2,0,0,0,0|2,0,0]=4 10637 B12R1.100 COCSc1cc(cc(n1)N)C 62a_100000766300_100009819863 [0,2,0,0,0,0|2,0,0]=4 10638 B12R1.100 COCSc1cc(cc(n1)N)C 62a_100009819863_100000766300 [0,2,0,0,0,0|2,0,0]=4 10639 B12R1.100 COCSc1cc(cc(n1)O)N 62a_100000766300_200012179554 [0,2,0,0,0,0|2,0,0]=4 10640 B12R1.100 CSCCc1cc(cc(c1)Cl)Cl 62a_100000691793_200000210301 [0,2,0,0,0,0|2,0,0]=4 10641 B12R1.100 CSCCc1cc(cc(c1)Cl)Cl 62a_200000210301_100000691793 [0,2,0,0,0,0|2,0,0]=4 10642 B12R1.100 CSCCc1cc(cc(c1)F)F 62a_100011754442_200000210301 [0,2,0,0,0,0|2,0,0]=4 10643 B12R1.100 CSCCc1cc(cc(c1)F)F 62a_200000210301_100011754442 [0,2,0,0,0,0|2,0,0]=4 10644 B12R1.100 CSCSc1cc(cc(n1)C)C 62a_100000069240_100011218213 [0,2,0,0,0,0|2,0,0]=4 10645 B12R1.100 CSCSc1cc(cc(n1)C)C 62a_100011218213_100000069240 [0,2,0,0,0,0|2,0,0]=4 10646 B12R1.100 CSCSc1cc(cc(n1)C)N 62a_100000071261_100011218213 [0,2,0,0,0,0|2,0,0]=4 10647 B12R1.100 CSCSc1cc(cc(n1)C)N 62a_100011218213_100000071261 [0,2,0,0,0,0|2,0,0]=4 10648 B12R1.100 CSCSc1cc(cc(n1)F)C 62a_100009819601_100011218213 [0,2,0,0,0,0|2,0,0]=4 10649 B12R1.100 CSCSc1cc(cc(n1)F)C 62a_100011218213_100009819601 [0,2,0,0,0,0|2,0,0]=4 10650 B12R1.100 CSCSc1cc(cc(n1)N)C 62a_100009819863_100011218213 [0,2,0,0,0,0|2,0,0]=4 10651 B12R1.100 CSCSc1cc(cc(n1)N)C 62a_100011218213_100009819863 [0,2,0,0,0,0|2,0,0]=4 10652 B12R1.100 CSCSc1cc(cc(n1)O)N 62a_100011218213_200012179554 [0,2,0,0,0,0|2,0,0]=4 10653 B12R1.100 [13CH3]NCCc1cc(cc(c1)Cl)Cl 2230a_100000746052_200025704644 [0,2,0,0,0,0|1,0,0]=3 10654 B12R1.100 [13CH3]NCCc1cc(cc(c1)Cl)Cl 34a_100000746052_200025704644 [0,2,0,0,0,0|1,0,0]=3 10655 B12R1.100 [13CH3]NCCc1cc(cc(c1)F)F 2230a_100000748410_200025704644 [0,2,0,0,0,0|1,0,0]=3 10656 B12R1.100 [13CH3]NCCc1cc(cc(c1)F)F 34a_100000748410_200025704644 [0,2,0,0,0,0|1,0,0]=3 10657 B12R1.100 [13CH3]OCCc1cc(cc(c1)Br)Br 34a_100010243668_200025704644 [0,2,0,0,0,0|2,0,0]=4 10658 B12R1.100 [13CH3]OCCc1cc(cc(c1)Br)Br 7a_100010243668_200025704644 [0,2,0,0,0,0|2,0,0]=4 10659 B12R1.100 [13CH3]OCCc1cc(cc(c1)Br)F 34a_100012630564_200025704644 [0,2,0,0,0,0|2,0,0]=4 10660 B12R1.100 [13CH3]OCCc1cc(cc(c1)Br)F 7a_100012630564_200025704644 [0,2,0,0,0,0|2,0,0]=4 10661 B12R1.100 [13CH3]OCCc1cc(cc(c1)Cl)Cl 34a_100000720051_200025704644 [0,2,0,0,0,0|2,0,0]=4 10662 B12R1.100 [13CH3]OCCc1cc(cc(c1)Cl)Cl 7a_100000720051_200025704644 [0,2,0,0,0,0|2,0,0]=4 10663 B12R1.100 [13CH3]OCCc1cc(cc(c1)F)F 34a_100011754358_200025704644 [0,2,0,0,0,0|2,0,0]=4 10664 B12R1.100 [13CH3]OCCc1cc(cc(c1)F)F 7a_100011754358_200025704644 [0,2,0,0,0,0|2,0,0]=4 10665 B12R1.100 [13CH3]SCCc1cc(cc(c1)Cl)Cl 62a_100000691793_200025704644 [0,2,0,0,0,0|2,0,0]=4 10666 B12R1.100 [13CH3]SCCc1cc(cc(c1)Cl)Cl 62a_200025704644_100000691793 [0,2,0,0,0,0|2,0,0]=4 10667 B12R1.100 [13CH3]SCCc1cc(cc(c1)F)F 62a_100011754442_200025704644 [0,2,0,0,0,0|2,0,0]=4 10668 B12R1.100 [13CH3]SCCc1cc(cc(c1)F)F 62a_200025704644_100011754442 [0,2,0,0,0,0|2,0,0]=4 10669 B12R1.226 C=C(C)CNc1cc(ccn1)F 27a_100000765925_100000764206 [0,2,0,0,0,0|2,0,0]=4 10670 B12R1.226 C=C(C)CNc1cccc(n1)F 27a_100000765925_100009815982 [0,2,0,0,0,0|2,0,0]=4 10671 B12R1.226 C=C(C)COc1cccc(n1)F 34a_100011432558_100000748629 [0,2,0,0,0,0|2,0,0]=4 10672 B12R1.226 C=C(C)CSc1cc(ccn1)C 62a_100000748629_100000750283 [0,2,0,0,0,0|2,0,0]=4 10673 B12R1.226 C=C(C)CSc1cc(ccn1)C 62a_100000750283_100000211660 [0,2,0,0,0,0|2,0,0]=4 10674 B12R1.226 C=C(C)CSc1cc(ccn1)Cl 62a_100000748629_100010167805 [0,2,0,0,0,0|2,0,0]=4 10675 B12R1.226 C=C(C)CSc1cc(ccn1)Cl 62a_100010167805_100000211660 [0,2,0,0,0,0|2,0,0]=4 10676 B12R1.226 C=C(C)CSc1cc(ccn1)F 62a_100000748629_100000764206 [0,2,0,0,0,0|2,0,0]=4 10677 B12R1.226 C=C(C)CSc1cc(ccn1)F 62a_100000764206_100000211660 [0,2,0,0,0,0|2,0,0]=4 10678 B12R1.226 C=C(C)CSc1cc(ccn1)N 62a_100000748629_100009814236 [0,2,0,0,0,0|2,0,0]=4 10679 B12R1.226 C=C(C)CSc1cc(ccn1)N 62a_100009814236_100000211660 [0,2,0,0,0,0|2,0,0]=4 10680 B12R1.226 C=C(C)CSc1cc(ccn1)O 62a_100000748629_100000762945 [0,2,0,0,0,0|2,0,0]=4 10681 B12R1.226 C=C(C)CSc1cccc(n1)Br 62a_100000684672_100000211660 [0,2,0,0,0,0|2,0,0]=4 10682 B12R1.226 C=C(C)CSc1cccc(n1)Br 62a_100000748629_100000684672 [0,2,0,0,0,0|2,0,0]=4 10683 B12R1.226 C=C(C)CSc1cccc(n1)C 62a_100000742759_100000211660 [0,2,0,0,0,0|2,0,0]=4 10684 B12R1.226 C=C(C)CSc1cccc(n1)C 62a_100000748629_100000742759 [0,2,0,0,0,0|2,0,0]=4 10685 B12R1.226 C=C(C)CSc1cccc(n1)Cl 62a_100000051397_100000211660 [0,2,0,0,0,0|2,0,0]=4 10686 B12R1.226 C=C(C)CSc1cccc(n1)Cl 62a_100000748629_100000051397 [0,2,0,0,0,0|2,0,0]=4 10687 B12R1.226 C=C(C)CSc1cccc(n1)F 62a_100000748629_100009815982 [0,2,0,0,0,0|2,0,0]=4 10688 B12R1.226 C=C(C)CSc1cccc(n1)F 62a_100009815982_100000211660 [0,2,0,0,0,0|2,0,0]=4 10689 B12R1.226 C=C(C)CSc1cccc(n1)N 62a_100000740741_100000211660 [0,2,0,0,0,0|2,0,0]=4 10690 B12R1.226 C=C(C)CSc1cccc(n1)N 62a_100000748629_100000740741 [0,2,0,0,0,0|2,0,0]=4 10691 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [0,2,0,0,0,0|2,0,0]=4 10692 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [0,2,0,0,0,0|2,0,0]=4 10693 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [0,2,0,0,0,0|2,0,0]=4 10694 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [0,2,0,0,0,0|2,0,0]=4 10695 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [0,2,0,0,0,0|2,0,0]=4 10696 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [0,2,0,0,0,0|2,0,0]=4 10697 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [0,2,0,0,0,0|2,0,0]=4 10698 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [0,2,0,0,0,0|2,0,0]=4 10699 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [0,2,0,0,0,0|2,0,0]=4 10700 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [0,2,0,0,0,0|2,0,0]=4 10701 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [0,2,0,0,0,0|2,0,0]=4 10702 B12R1.226 CC(=O)NCc1cc(ccn1)Br 11a_100009818019_100015343762 [0,2,0,0,0,0|2,0,0]=4 10703 B12R1.226 CC(=O)NCc1cc(ccn1)Br 1626a_100009818019_100015343762 [0,2,0,0,0,0|2,0,0]=4 10704 B12R1.226 CC(=O)NCc1cc(ccn1)Br 240690a_100009818019_100015343762 [0,2,0,0,0,0|2,0,0]=4 10705 B12R1.226 CC(=O)NCc1cc(ccn1)Br 527a_100009818019_100103153847 [0,2,0,0,0,0|2,0,0]=4 10706 B12R1.226 CC(=O)NCc1cc(ccn1)C 11a_100011934573_100015343762 [0,2,0,0,0,0|2,0,0]=4 10707 B12R1.226 CC(=O)NCc1cc(ccn1)C 1626a_100011934573_100015343762 [0,2,0,0,0,0|2,0,0]=4 10708 B12R1.226 CC(=O)NCc1cc(ccn1)C 240690a_100011934573_100015343762 [0,2,0,0,0,0|2,0,0]=4 10709 B12R1.226 CC(=O)NCc1cc(ccn1)C 527a_100011934573_100103153847 [0,2,0,0,0,0|2,0,0]=4 10710 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 11a_100000085674_100015343762 [0,2,0,0,0,0|2,0,0]=4 10711 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 1626a_100000085674_100015343762 [0,2,0,0,0,0|2,0,0]=4 10712 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 240690a_100000085674_100015343762 [0,2,0,0,0,0|2,0,0]=4 10713 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 527a_100000085674_100103153847 [0,2,0,0,0,0|2,0,0]=4 10714 B12R1.226 CC(=O)NCc1cccc(n1)Br 11a_100016987751_100015343762 [0,2,0,0,0,0|2,0,0]=4 10715 B12R1.226 CC(=O)NCc1cccc(n1)Br 1626a_100016987751_100015343762 [0,2,0,0,0,0|2,0,0]=4 10716 B12R1.226 CC(=O)NCc1cccc(n1)Br 240690a_100016987751_100015343762 [0,2,0,0,0,0|2,0,0]=4 10717 B12R1.226 CC(=O)NCc1cccc(n1)Br 527a_100016987751_100103153847 [0,2,0,0,0,0|2,0,0]=4 10718 B12R1.226 CC(=O)NCc1cccc(n1)C 11a_100000701342_100015343762 [0,2,0,0,0,0|2,0,0]=4 10719 B12R1.226 CC(=O)NCc1cccc(n1)C 1626a_100000701342_100015343762 [0,2,0,0,0,0|2,0,0]=4 10720 B12R1.226 CC(=O)NCc1cccc(n1)C 240690a_100000701342_100015343762 [0,2,0,0,0,0|2,0,0]=4 10721 B12R1.226 CC(=O)NCc1cccc(n1)C 527a_100000701342_100103153847 [0,2,0,0,0,0|2,0,0]=4 10722 B12R1.226 CC(=O)NCc1cccc(n1)Cl 11a_100016990191_100015343762 [0,2,0,0,0,0|2,0,0]=4 10723 B12R1.226 CC(=O)NCc1cccc(n1)Cl 1626a_100016990191_100015343762 [0,2,0,0,0,0|2,0,0]=4 10724 B12R1.226 CC(=O)NCc1cccc(n1)Cl 240690a_100016990191_100015343762 [0,2,0,0,0,0|2,0,0]=4 10725 B12R1.226 CC(=O)NCc1cccc(n1)Cl 527a_100016990191_100103153847 [0,2,0,0,0,0|2,0,0]=4 10726 B12R1.226 CC(=O)NCc1cccc(n1)F 11a_100015188798_100015343762 [0,2,0,0,0,0|2,0,0]=4 10727 B12R1.226 CC(=O)NCc1cccc(n1)F 1626a_100015188798_100015343762 [0,2,0,0,0,0|2,0,0]=4 10728 B12R1.226 CC(=O)NCc1cccc(n1)F 240690a_100015188798_100015343762 [0,2,0,0,0,0|2,0,0]=4 10729 B12R1.226 CC(=O)NCc1cccc(n1)F 527a_100015188798_100103153847 [0,2,0,0,0,0|2,0,0]=4 10730 B12R1.226 CC(C)CNc1cc(ccn1)F 27a_100000210953_100000764206 [0,2,0,0,0,0|2,0,0]=4 10731 B12R1.226 CC(C)CNc1cccc(n1)F 27a_100000210953_100009815982 [0,2,0,0,0,0|2,0,0]=4 10732 B12R1.226 CC(C)COc1cccc(n1)F 34a_100011432558_100000210624 [0,2,0,0,0,0|2,0,0]=4 10733 B12R1.226 CC(C)CSc1cc(ccn1)Cl 62a_100000210624_100010167805 [0,2,0,0,0,0|2,0,0]=4 10734 B12R1.226 CC(C)CSc1cc(ccn1)Cl 62a_100010167805_100000210760 [0,2,0,0,0,0|2,0,0]=4 10735 B12R1.226 CC(C)CSc1cc(ccn1)F 62a_100000210624_100000764206 [0,2,0,0,0,0|2,0,0]=4 10736 B12R1.226 CC(C)CSc1cc(ccn1)F 62a_100000764206_100000210760 [0,2,0,0,0,0|2,0,0]=4 10737 B12R1.226 CC(C)CSc1cc(ccn1)N 62a_100000210624_100009814236 [0,2,0,0,0,0|2,0,0]=4 10738 B12R1.226 CC(C)CSc1cc(ccn1)N 62a_100009814236_100000210760 [0,2,0,0,0,0|2,0,0]=4 10739 B12R1.226 CC(C)CSc1cc(ccn1)O 62a_100000210624_100000762945 [0,2,0,0,0,0|2,0,0]=4 10740 B12R1.226 CC(C)CSc1cccc(n1)Br 62a_100000210624_100000684672 [0,2,0,0,0,0|2,0,0]=4 10741 B12R1.226 CC(C)CSc1cccc(n1)Br 62a_100000684672_100000210760 [0,2,0,0,0,0|2,0,0]=4 10742 B12R1.226 CC(C)CSc1cccc(n1)Cl 62a_100000051397_100000210760 [0,2,0,0,0,0|2,0,0]=4 10743 B12R1.226 CC(C)CSc1cccc(n1)Cl 62a_100000210624_100000051397 [0,2,0,0,0,0|2,0,0]=4 10744 B12R1.226 CC(C)CSc1cccc(n1)F 62a_100000210624_100009815982 [0,2,0,0,0,0|2,0,0]=4 10745 B12R1.226 CC(C)CSc1cccc(n1)F 62a_100009815982_100000210760 [0,2,0,0,0,0|2,0,0]=4 10746 B12R1.226 CC(C)CSc1cccc(n1)N 62a_100000210624_100000740741 [0,2,0,0,0,0|2,0,0]=4 10747 B12R1.226 CC(C)CSc1cccc(n1)N 62a_100000740741_100000210760 [0,2,0,0,0,0|2,0,0]=4 10748 B12R1.226 CC(C)NCc1cc(ccn1)Br 2230a_100138425928_100010173614 [0,2,0,0,0,0|2,0,0]=4 10749 B12R1.226 CC(C)NCc1cc(ccn1)Br 34a_100138425928_100010173614 [0,2,0,0,0,0|2,0,0]=4 10750 B12R1.226 CC(C)NCc1cc(ccn1)Cl 2230a_100138425928_100016988179 [0,2,0,0,0,0|2,0,0]=4 10751 B12R1.226 CC(C)NCc1cc(ccn1)Cl 34a_100138425928_100016988179 [0,2,0,0,0,0|2,0,0]=4 10752 B12R1.226 CC(C)NCc1cccc(n1)Br 2230a_100016987751_100000210206 [0,2,0,0,0,0|2,0,0]=4 10753 B12R1.226 CC(C)NCc1cccc(n1)Br 2230a_100138425928_100009889011 [0,2,0,0,0,0|2,0,0]=4 10754 B12R1.226 CC(C)NCc1cccc(n1)Br 34a_100138425928_100009889011 [0,2,0,0,0,0|2,0,0]=4 10755 B12R1.226 CC(C)NCc1cccc(n1)Cl 2230a_100016990191_100000210206 [0,2,0,0,0,0|2,0,0]=4 10756 B12R1.226 CC(C)NCc1cccc(n1)Cl 2230a_100138425928_100000086093 [0,2,0,0,0,0|2,0,0]=4 10757 B12R1.226 CC(C)NCc1cccc(n1)Cl 34a_100138425928_100000086093 [0,2,0,0,0,0|2,0,0]=4 10758 B12R1.226 CC(C)NCc1cccc(n1)F 2230a_100015188798_100000210206 [0,2,0,0,0,0|2,0,0]=4 10759 B12R1.226 CC(C)NCc1cccc(n1)F 2230a_100138425928_100009819644 [0,2,0,0,0,0|2,0,0]=4 10760 B12R1.226 CC(C)NCc1cccc(n1)F 34a_100015188798_100000210206 [0,2,0,0,0,0|2,0,0]=4 10761 B12R1.226 CC(C)NCc1cccc(n1)F 34a_100138425928_100009819644 [0,2,0,0,0,0|2,0,0]=4 10762 B12R1.226 CC(C)OCc1cc(ccn1)Br 34a_100000212225_100010173614 [0,2,0,0,0,0|2,0,0]=4 10763 B12R1.226 CC(C)OCc1cc(ccn1)Cl 34a_100000212225_100016988179 [0,2,0,0,0,0|2,0,0]=4 10764 B12R1.226 CC(C)OCc1cc(ccn1)Cl 34a_100000748867_100000210206 [0,2,0,0,0,0|2,0,0]=4 10765 B12R1.226 CC(C)OCc1cc(ccn1)N 34a_100000692640_100000210206 [0,2,0,0,0,0|2,0,0]=4 10766 B12R1.226 CC(C)OCc1cccc(n1)Br 34a_100000212225_100009889011 [0,2,0,0,0,0|2,0,0]=4 10767 B12R1.226 CC(C)OCc1cccc(n1)Br 34a_100000694195_100000210206 [0,2,0,0,0,0|2,0,0]=4 10768 B12R1.226 CC(C)OCc1cccc(n1)Cl 34a_100000212225_100000086093 [0,2,0,0,0,0|2,0,0]=4 10769 B12R1.226 CC(C)OCc1cccc(n1)Cl 34a_100011998359_100000210206 [0,2,0,0,0,0|2,0,0]=4 10770 B12R1.226 CC(C)OCc1cccc(n1)F 34a_100000086748_100000210206 [0,2,0,0,0,0|2,0,0]=4 10771 B12R1.226 CC(C)OCc1cccc(n1)F 34a_100000212225_100009819644 [0,2,0,0,0,0|2,0,0]=4 10772 B12R1.226 CC(C)SCc1cc(ccn1)Br 62a_100000210206_100010173614 [0,2,0,0,0,0|2,0,0]=4 10773 B12R1.226 CC(C)SCc1cc(ccn1)Br 62a_100010173614_100000210206 [0,2,0,0,0,0|2,0,0]=4 10774 B12R1.226 CC(C)SCc1cc(ccn1)Cl 62a_100000210206_100016988179 [0,2,0,0,0,0|2,0,0]=4 10775 B12R1.226 CC(C)SCc1cc(ccn1)Cl 62a_100016988179_100000210206 [0,2,0,0,0,0|2,0,0]=4 10776 B12R1.226 CC(C)SCc1cccc(n1)Br 62a_100000210206_100009889011 [0,2,0,0,0,0|2,0,0]=4 10777 B12R1.226 CC(C)SCc1cccc(n1)Br 62a_100009889011_100000210206 [0,2,0,0,0,0|2,0,0]=4 10778 B12R1.226 CC(C)SCc1cccc(n1)Cl 62a_100000086093_100000210206 [0,2,0,0,0,0|2,0,0]=4 10779 B12R1.226 CC(C)SCc1cccc(n1)Cl 62a_100000210206_100000086093 [0,2,0,0,0,0|2,0,0]=4 10780 B12R1.226 CC(C)SCc1cccc(n1)F 62a_100000210206_100009819644 [0,2,0,0,0,0|2,0,0]=4 10781 B12R1.226 CC(C)SCc1cccc(n1)F 62a_100009819644_100000210206 [0,2,0,0,0,0|2,0,0]=4 10782 B12R1.226 CC(O)CNc1cc(ccn1)F 27a_100000210904_100000764206 [0,2,0,0,0,0|2,0,0]=4 10783 B12R1.226 CC(O)CNc1cccc(n1)F 27a_100000210904_100009815982 [0,2,0,0,0,0|2,0,0]=4 10784 B12R1.226 CC(O)COc1cccc(n1)F 34a_100011432558_100011218427 [0,2,0,0,0,0|2,0,0]=4 10785 B12R1.226 CC(O)CSc1cc(ccn1)Cl 62a_100010167805_100011218427 [0,2,0,0,0,0|2,0,0]=4 10786 B12R1.226 CC(O)CSc1cc(ccn1)Cl 62a_100011218427_100010167805 [0,2,0,0,0,0|2,0,0]=4 10787 B12R1.226 CC(O)CSc1cc(ccn1)F 62a_100000764206_100011218427 [0,2,0,0,0,0|2,0,0]=4 10788 B12R1.226 CC(O)CSc1cc(ccn1)F 62a_100011218427_100000764206 [0,2,0,0,0,0|2,0,0]=4 10789 B12R1.226 CC(O)CSc1cc(ccn1)N 62a_100009814236_100011218427 [0,2,0,0,0,0|2,0,0]=4 10790 B12R1.226 CC(O)CSc1cc(ccn1)N 62a_100011218427_100009814236 [0,2,0,0,0,0|2,0,0]=4 10791 B12R1.226 CC(O)CSc1cc(ccn1)O 62a_100011218427_100000762945 [0,2,0,0,0,0|2,0,0]=4 10792 B12R1.226 CC(O)CSc1cccc(n1)Br 62a_100000684672_100011218427 [0,2,0,0,0,0|2,0,0]=4 10793 B12R1.226 CC(O)CSc1cccc(n1)Br 62a_100011218427_100000684672 [0,2,0,0,0,0|2,0,0]=4 10794 B12R1.226 CC(O)CSc1cccc(n1)Cl 62a_100000051397_100011218427 [0,2,0,0,0,0|2,0,0]=4 10795 B12R1.226 CC(O)CSc1cccc(n1)Cl 62a_100011218427_100000051397 [0,2,0,0,0,0|2,0,0]=4 10796 B12R1.226 CC(O)CSc1cccc(n1)F 62a_100009815982_100011218427 [0,2,0,0,0,0|2,0,0]=4 10797 B12R1.226 CC(O)CSc1cccc(n1)F 62a_100011218427_100009815982 [0,2,0,0,0,0|2,0,0]=4 10798 B12R1.226 CC(O)CSc1cccc(n1)N 62a_100000740741_100011218427 [0,2,0,0,0,0|2,0,0]=4 10799 B12R1.226 CC(O)CSc1cccc(n1)N 62a_100011218427_100000740741 [0,2,0,0,0,0|2,0,0]=4 10800 B12R1.226 CN(C)CCc1cccc(c1)Br 2230a_100102631434_100011740638 [0,2,0,0,0,0|1,0,0]=3 10801 B12R1.226 CN(C)CCc1cccc(c1)Br 269982a_100102631434_100011740638 [0,2,0,0,0,0|1,0,0]=3 10802 B12R1.226 CN(C)CCc1cccc(c1)Cl 2230a_100102631434_100011713710 [0,2,0,0,0,0|1,0,0]=3 10803 B12R1.226 CN(C)CCc1cccc(c1)Cl 2230a_106726388433_200000210301 [0,2,0,0,0,0|1,0,0]=3 10804 B12R1.226 CN(C)CCc1cccc(c1)Cl 269982a_100102631434_100011713710 [0,2,0,0,0,0|1,0,0]=3 10805 B12R1.226 CN(C)CCc1cccc(c1)Cl 269982a_106726388433_200000210301 [0,2,0,0,0,0|1,0,0]=3 10806 B12R1.226 CN(C)CCc1cccc(c1)Cl 34a_106726388433_200000210301 [0,2,0,0,0,0|1,0,0]=3 10807 B12R1.226 CN(C)CCc1cccc(c1)F 2230a_100102631434_100011217235 [0,2,0,0,0,0|1,0,0]=3 10808 B12R1.226 CN(C)CCc1cccc(c1)F 2230a_106726388868_200000210301 [0,2,0,0,0,0|1,0,0]=3 10809 B12R1.226 CN(C)CCc1cccc(c1)F 269982a_100102631434_100011217235 [0,2,0,0,0,0|1,0,0]=3 10810 B12R1.226 CN(C)CCc1cccc(c1)F 269982a_106726388868_200000210301 [0,2,0,0,0,0|1,0,0]=3 10811 B12R1.226 CN(C)CCc1cccc(c1)F 34a_106726388868_200000210301 [0,2,0,0,0,0|1,0,0]=3 10812 B12R1.226 CN([13CH3])CCc1cccc(c1)Cl 2230a_106726388433_200025704644 [0,2,0,0,0,0|1,0,0]=3 10813 B12R1.226 CN([13CH3])CCc1cccc(c1)Cl 269982a_106726388433_200025704644 [0,2,0,0,0,0|1,0,0]=3 10814 B12R1.226 CN([13CH3])CCc1cccc(c1)Cl 34a_106726388433_200025704644 [0,2,0,0,0,0|1,0,0]=3 10815 B12R1.226 CN([13CH3])CCc1cccc(c1)F 2230a_106726388868_200025704644 [0,2,0,0,0,0|1,0,0]=3 10816 B12R1.226 CN([13CH3])CCc1cccc(c1)F 269982a_106726388868_200025704644 [0,2,0,0,0,0|1,0,0]=3 10817 B12R1.226 CN([13CH3])CCc1cccc(c1)F 34a_106726388868_200025704644 [0,2,0,0,0,0|1,0,0]=3 10818 B12R1.226 C[C@@H](O)COc1cccc(n1)F 34a_100011432558_100009817552 [0,2,0,0,0,0|2,0,0]=4 10819 B12R1.226 C[C@@H](O)CSc1cc(ccn1)Cl 62a_100009817552_100010167805 [0,2,0,0,0,0|2,0,0]=4 10820 B12R1.226 C[C@@H](O)CSc1cc(ccn1)Cl 62a_100010167805_100009817552 [0,2,0,0,0,0|2,0,0]=4 10821 B12R1.226 C[C@@H](O)CSc1cc(ccn1)F 62a_100000764206_100009817552 [0,2,0,0,0,0|2,0,0]=4 10822 B12R1.226 C[C@@H](O)CSc1cc(ccn1)F 62a_100009817552_100000764206 [0,2,0,0,0,0|2,0,0]=4 10823 B12R1.226 C[C@@H](O)CSc1cc(ccn1)N 62a_100009814236_100009817552 [0,2,0,0,0,0|2,0,0]=4 10824 B12R1.226 C[C@@H](O)CSc1cc(ccn1)N 62a_100009817552_100009814236 [0,2,0,0,0,0|2,0,0]=4 10825 B12R1.226 C[C@@H](O)CSc1cc(ccn1)O 62a_100009817552_100000762945 [0,2,0,0,0,0|2,0,0]=4 10826 B12R1.226 C[C@@H](O)CSc1cccc(n1)Br 62a_100000684672_100009817552 [0,2,0,0,0,0|2,0,0]=4 10827 B12R1.226 C[C@@H](O)CSc1cccc(n1)Br 62a_100009817552_100000684672 [0,2,0,0,0,0|2,0,0]=4 10828 B12R1.226 C[C@@H](O)CSc1cccc(n1)Cl 62a_100000051397_100009817552 [0,2,0,0,0,0|2,0,0]=4 10829 B12R1.226 C[C@@H](O)CSc1cccc(n1)Cl 62a_100009817552_100000051397 [0,2,0,0,0,0|2,0,0]=4 10830 B12R1.226 C[C@@H](O)CSc1cccc(n1)F 62a_100009815982_100009817552 [0,2,0,0,0,0|2,0,0]=4 10831 B12R1.226 C[C@@H](O)CSc1cccc(n1)F 62a_100009817552_100009815982 [0,2,0,0,0,0|2,0,0]=4 10832 B12R1.226 C[C@@H](O)CSc1cccc(n1)N 62a_100000740741_100009817552 [0,2,0,0,0,0|2,0,0]=4 10833 B12R1.226 C[C@@H](O)CSc1cccc(n1)N 62a_100009817552_100000740741 [0,2,0,0,0,0|2,0,0]=4 10834 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [0,2,0,0,0,0|2,0,0]=4 10835 B12R1.226 Cc1cccc(c1)CCN(C)C 2230a_100102631434_100011713685 [0,2,0,0,0,0|1,0,0]=3 10836 B12R1.226 Cc1cccc(c1)CCN(C)C 2230a_114849113767_200000210301 [0,2,0,0,0,0|1,0,0]=3 10837 B12R1.226 Cc1cccc(c1)CCN(C)C 269982a_100102631434_100011713685 [0,2,0,0,0,0|1,0,0]=3 10838 B12R1.226 Cc1cccc(c1)CCN(C)C 269982a_114849113767_200000210301 [0,2,0,0,0,0|1,0,0]=3 10839 B12R1.226 Cc1cccc(c1)CCN(C)C 34a_114849113767_200000210301 [0,2,0,0,0,0|1,0,0]=3 10840 B12R1.226 Cc1cccc(c1)CCN(C)[13CH3] 2230a_114849113767_200025704644 [0,2,0,0,0,0|1,0,0]=3 10841 B12R1.226 Cc1cccc(c1)CCN(C)[13CH3] 269982a_114849113767_200025704644 [0,2,0,0,0,0|1,0,0]=3 10842 B12R1.226 Cc1cccc(c1)CCN(C)[13CH3] 34a_114849113767_200025704644 [0,2,0,0,0,0|1,0,0]=3 10843 B12R1.226 Cc1cccc(n1)CNC(C)C 207a_100138425928_100011215050 [0,2,0,0,0,0|2,0,0]=4 10844 B12R1.226 Cc1cccc(n1)CNC(C)C 2230a_100138425928_100000757606 [0,2,0,0,0,0|2,0,0]=4 10845 B12R1.226 Cc1cccc(n1)CNC(C)C 34a_100000701342_100000210206 [0,2,0,0,0,0|2,0,0]=4 10846 B12R1.226 Cc1cccc(n1)CNC(C)C 34a_100138425928_100000757606 [0,2,0,0,0,0|2,0,0]=4 10847 B12R1.226 Cc1cccc(n1)COC(C)C 34a_100000212225_100000757606 [0,2,0,0,0,0|2,0,0]=4 10848 B12R1.226 Cc1cccc(n1)COC(C)C 34a_100000690600_100000210206 [0,2,0,0,0,0|2,0,0]=4 10849 B12R1.226 Cc1cccc(n1)CSC(C)C 62a_100000210206_100000757606 [0,2,0,0,0,0|2,0,0]=4 10850 B12R1.226 Cc1cccc(n1)CSC(C)C 62a_100000757606_100000210206 [0,2,0,0,0,0|2,0,0]=4 10851 B12R1.226 Cc1cccc(n1)SCC(C)C 62a_100000210624_100000742759 [0,2,0,0,0,0|2,0,0]=4 10852 B12R1.226 Cc1cccc(n1)SCC(C)C 62a_100000742759_100000210760 [0,2,0,0,0,0|2,0,0]=4 10853 B12R1.226 Cc1cccc(n1)SCC(C)O 62a_100000742759_100011218427 [0,2,0,0,0,0|2,0,0]=4 10854 B12R1.226 Cc1cccc(n1)SCC(C)O 62a_100011218427_100000742759 [0,2,0,0,0,0|2,0,0]=4 10855 B12R1.226 Cc1cccc(n1)SC[C@@H](C)O 62a_100000742759_100009817552 [0,2,0,0,0,0|2,0,0]=4 10856 B12R1.226 Cc1cccc(n1)SC[C@@H](C)O 62a_100009817552_100000742759 [0,2,0,0,0,0|2,0,0]=4 10857 B12R1.226 Cc1ccnc(c1)CNC(C)C 207a_100138425928_100011361488 [0,2,0,0,0,0|2,0,0]=4 10858 B12R1.226 Cc1ccnc(c1)CNC(C)C 2230a_100138425928_100000718516 [0,2,0,0,0,0|2,0,0]=4 10859 B12R1.226 Cc1ccnc(c1)CNC(C)C 34a_100138425928_100000718516 [0,2,0,0,0,0|2,0,0]=4 10860 B12R1.226 Cc1ccnc(c1)COC(C)C 34a_100000212225_100000718516 [0,2,0,0,0,0|2,0,0]=4 10861 B12R1.226 Cc1ccnc(c1)COC(C)C 34a_100011998357_100000210206 [0,2,0,0,0,0|2,0,0]=4 10862 B12R1.226 Cc1ccnc(c1)CSC(C)C 62a_100000210206_100000718516 [0,2,0,0,0,0|2,0,0]=4 10863 B12R1.226 Cc1ccnc(c1)CSC(C)C 62a_100000718516_100000210206 [0,2,0,0,0,0|2,0,0]=4 10864 B12R1.226 Cc1ccnc(c1)SCC(C)C 62a_100000210624_100000750283 [0,2,0,0,0,0|2,0,0]=4 10865 B12R1.226 Cc1ccnc(c1)SCC(C)C 62a_100000750283_100000210760 [0,2,0,0,0,0|2,0,0]=4 10866 B12R1.226 Cc1ccnc(c1)SCC(C)O 62a_100000750283_100011218427 [0,2,0,0,0,0|2,0,0]=4 10867 B12R1.226 Cc1ccnc(c1)SCC(C)O 62a_100011218427_100000750283 [0,2,0,0,0,0|2,0,0]=4 10868 B12R1.226 Cc1ccnc(c1)SC[C@@H](C)O 62a_100000750283_100009817552 [0,2,0,0,0,0|2,0,0]=4 10869 B12R1.226 Cc1ccnc(c1)SC[C@@H](C)O 62a_100009817552_100000750283 [0,2,0,0,0,0|2,0,0]=4 10870 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [0,2,0,0,0,0|2,0,0]=4 10871 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [0,2,0,0,0,0|2,0,0]=4 10872 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [0,2,0,0,0,0|2,0,0]=4 10873 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [0,2,0,0,0,0|2,0,0]=4 10874 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [0,2,0,0,0,0|2,0,0]=4 10875 B12R1.382 C=Cc1cccc(c1)CCCC 271570a_100011290941_200010244551 [0,2,0,0,0,0|2,0,0]=4 10876 B12R1.382 C=Cc1cccc(n1)NCCC 271570a_100011290941_200025756634 [0,2,0,0,0,0|2,0,0]=4 10877 B12R1.382 C=Cc1cccc(n1)OCCC 271570a_100011290941_200011960250 [0,2,0,0,0,0|2,0,0]=4 10878 B12R1.382 CCCCc1cc(ccn1)C#N 271570a_100020621405_100011291639 [0,2,0,0,0,0|1,0,0]=3 10879 B12R1.382 CCCCc1cc(ccn1)C=O 271570a_100020621405_100011290808 [0,2,0,0,0,0|1,0,0]=3 10880 B12R1.382 CCCCc1cc(ccn1)CC 271570a_100020621405_100009817561 [0,2,0,0,0,0|1,0,0]=3 10881 B12R1.382 CCCCc1cc(ccn1)CO 271570a_100020621405_100009814636 [0,2,0,0,0,0|1,0,0]=3 10882 B12R1.382 CCCCc1cc(ccn1)NC 271570a_100020621405_100009869472 [0,2,0,0,0,0|1,0,0]=3 10883 B12R1.382 CCCCc1cc(ccn1)OC 271570a_100020621405_100011216251 [0,2,0,0,0,0|1,0,0]=3 10884 B12R1.382 CCCCc1cc(ccn1)SC 271570a_100020621405_100010883326 [0,2,0,0,0,0|1,0,0]=3 10885 B12R1.382 CCCCc1cc(cnn1)OC 271570a_100020621405_100000087634 [0,2,0,0,0,0|2,0,0]=4 10886 B12R1.382 CCCCc1cc(ncn1)C#N 271570a_100020621405_100000092509 [0,2,0,0,0,0|2,0,0]=4 10887 B12R1.382 CCCCc1cc(ncn1)CC 271570a_100020621405_100000744278 [0,2,0,0,0,0|2,0,0]=4 10888 B12R1.382 CCCCc1cc(ncn1)CO 271570a_100020621405_100000731546 [0,2,0,0,0,0|2,0,0]=4 10889 B12R1.382 CCCCc1cc(ncn1)NC 271570a_100020621405_100000756605 [0,2,0,0,0,0|2,0,0]=4 10890 B12R1.382 CCCCc1cc(ncn1)NN 271570a_100020621405_100000242035 [0,2,0,0,0,0|2,0,0]=4 10891 B12R1.382 CCCCc1cc(ncn1)OC 271570a_100020621405_100012187182 [0,2,0,0,0,0|2,0,0]=4 10892 B12R1.382 CCCCc1cc(ncn1)SC 271570a_100020621405_100011443430 [0,2,0,0,0,0|2,0,0]=4 10893 B12R1.382 CCCCc1cccc(c1)C#N 271570a_100020621405_100000189340 [0,2,0,0,0,0|2,0,0]=4 10894 B12R1.382 CCCCc1cccc(c1)C=O 271570a_100020621405_100000014684 [0,2,0,0,0,0|2,0,0]=4 10895 B12R1.382 CCCCc1cccc(c1)CC 271570a_100020621405_100000684523 [0,2,0,0,0,0|2,0,0]=4 10896 B12R1.382 CCCCc1cccc(c1)CF 271570a_100020621405_100010878472 [0,2,0,0,0,0|2,0,0]=4 10897 B12R1.382 CCCCc1cccc(c1)CN 271570a_100020621405_100000106179 [0,2,0,0,0,0|2,0,0]=4 10898 B12R1.382 CCCCc1cccc(c1)CO 271570a_100020621405_100000687537 [0,2,0,0,0,0|2,0,0]=4 10899 B12R1.382 CCCCc1cccc(c1)NC 2230a_200012017287_200000210301 [0,2,0,0,0,0|2,0,0]=4 10900 B12R1.382 CCCCc1cccc(c1)NC 271570a_100020621405_100000219648 [0,2,0,0,0,0|2,0,0]=4 10901 B12R1.382 CCCCc1cccc(c1)NC 34a_200012017287_200000210301 [0,2,0,0,0,0|2,0,0]=4 10902 B12R1.382 CCCCc1cccc(c1)NC 7a_200012017287_200000210301 [0,2,0,0,0,0|2,0,0]=4 10903 B12R1.382 CCCCc1cccc(c1)NN 271570a_100020621405_100000217339 [0,2,0,0,0,0|2,0,0]=4 10904 B12R1.382 CCCCc1cccc(c1)N[13CH3] 2230a_200012017287_200025704644 [0,2,0,0,0,0|2,0,0]=4 10905 B12R1.382 CCCCc1cccc(c1)N[13CH3] 34a_200012017287_200025704644 [0,2,0,0,0,0|2,0,0]=4 10906 B12R1.382 CCCCc1cccc(c1)N[13CH3] 7a_200012017287_200025704644 [0,2,0,0,0,0|2,0,0]=4 10907 B12R1.382 CCCCc1cccc(c1)OC 271570a_100020621405_100000170001 [0,2,0,0,0,0|2,0,0]=4 10908 B12R1.382 CCCCc1cccc(c1)SC 271570a_100020621405_100011215954 [0,2,0,0,0,0|2,0,0]=4 10909 B12R1.382 CCCCc1cccc(c1)SC 62a_200000210301_200010244551 [0,2,0,0,0,0|2,0,0]=4 10910 B12R1.382 CCCCc1cccc(c1)SC 62a_200010244551_200000210301 [0,2,0,0,0,0|2,0,0]=4 10911 B12R1.382 CCCCc1cccc(c1)S[13CH3] 62a_200010244551_200025704644 [0,2,0,0,0,0|2,0,0]=4 10912 B12R1.382 CCCCc1cccc(c1)S[13CH3] 62a_200025704644_200010244551 [0,2,0,0,0,0|2,0,0]=4 10913 B12R1.382 CCCCc1cccc(n1)C#N 271570a_100020621405_100011934037 [0,2,0,0,0,0|1,0,0]=3 10914 B12R1.382 CCCCc1cccc(n1)C=O 271570a_100020621405_100000688028 [0,2,0,0,0,0|1,0,0]=3 10915 B12R1.382 CCCCc1cccc(n1)CC 271570a_100020621405_100009856026 [0,2,0,0,0,0|1,0,0]=3 10916 B12R1.382 CCCCc1cccc(n1)CN 271570a_100020621405_100016990191 [0,2,0,0,0,0|1,0,0]=3 10917 B12R1.382 CCCCc1cccc(n1)CO 271570a_100020621405_100000694195 [0,2,0,0,0,0|1,0,0]=3 10918 B12R1.382 CCCCc1cccc(n1)NC 271570a_100020621405_100000703281 [0,2,0,0,0,0|1,0,0]=3 10919 B12R1.382 CCCCc1cccc(n1)NN 271570a_100020621405_100009817029 [0,2,0,0,0,0|1,0,0]=3 10920 B12R1.382 CCCCc1cccc(n1)OC 271570a_100020621405_100000760917 [0,2,0,0,0,0|1,0,0]=3 10921 B12R1.382 CCCCc1cccc(n1)SC 271570a_100020621405_100011960944 [0,2,0,0,0,0|1,0,0]=3 10922 B12R1.382 CCCCc1ccnc(n1)C#N 271570a_100020621405_100000092507 [0,2,0,0,0,0|2,0,0]=4 10923 B12R1.382 CCCCc1ccnc(n1)NC 271570a_100020621405_100012000420 [0,2,0,0,0,0|2,0,0]=4 10924 B12R1.382 CCCCc1ccnc(n1)OC 271570a_100020621405_100000069072 [0,2,0,0,0,0|2,0,0]=4 10925 B12R1.382 CCCCc1ccnc(n1)SC 271570a_100020621405_100000032126 [0,2,0,0,0,0|2,0,0]=4 10926 B12R1.382 CCCCc1cncc(n1)C#N 271570a_100020621405_100009817212 [0,2,0,0,0,0|2,0,0]=4 10927 B12R1.382 CCCCc1cncc(n1)CO 271570a_100020621405_100009853123 [0,2,0,0,0,0|2,0,0]=4 10928 B12R1.382 CCCCc1cncc(n1)NC 271570a_100020621405_100011529438 [0,2,0,0,0,0|2,0,0]=4 10929 B12R1.382 CCCCc1cncc(n1)NN 271570a_100020621405_100102525095 [0,2,0,0,0,0|2,0,0]=4 10930 B12R1.382 CCCCc1cncc(n1)OC 271570a_100020621405_100000756030 [0,2,0,0,0,0|2,0,0]=4 10931 B12R1.382 CCCCc1nccc(n1)C#N 271570a_100020621405_100000066186 [0,2,0,0,0,0|2,0,0]=4 10932 B12R1.382 CCCCc1nccc(n1)CC 271570a_100020621405_100000100215 [0,2,0,0,0,0|2,0,0]=4 10933 B12R1.382 CCCCc1nccc(n1)NC 271570a_100020621405_100011649947 [0,2,0,0,0,0|2,0,0]=4 10934 B12R1.382 CCCCc1nccc(n1)OC 271570a_100020621405_100000182009 [0,2,0,0,0,0|2,0,0]=4 10935 B12R1.382 CCCCc1nccc(n1)SC 271570a_100020621405_100011650323 [0,2,0,0,0,0|2,0,0]=4 10936 B12R1.382 CCCNc1cccc(n1)SC 62a_200000210301_200025756634 [0,2,0,0,0,0|2,0,0]=4 10937 B12R1.382 CCCNc1cccc(n1)SC 62a_200025756634_200000210301 [0,2,0,0,0,0|2,0,0]=4 10938 B12R1.382 CCCNc1cccc(n1)S[13CH3] 62a_200025704644_200025756634 [0,2,0,0,0,0|2,0,0]=4 10939 B12R1.382 CCCNc1cccc(n1)S[13CH3] 62a_200025756634_200025704644 [0,2,0,0,0,0|2,0,0]=4 10940 B12R1.382 CCCOc1cc(ccn1)CN 34a_100000748557_100000210303 [0,2,0,0,0,0|2,0,0]=4 10941 B12R1.382 CCCOc1cccc(n1)NC 27a_100102657272_200011960250 [0,2,0,0,0,0|2,0,0]=4 10942 B12R1.382 CCCOc1cccc(n1)SC 62a_200000210301_200011960250 [0,2,0,0,0,0|2,0,0]=4 10943 B12R1.382 CCCOc1cccc(n1)SC 62a_200011960250_200000210301 [0,2,0,0,0,0|2,0,0]=4 10944 B12R1.382 CCCOc1cccc(n1)S[13CH3] 62a_200011960250_200025704644 [0,2,0,0,0,0|2,0,0]=4 10945 B12R1.382 CCCOc1cccc(n1)S[13CH3] 62a_200025704644_200011960250 [0,2,0,0,0,0|2,0,0]=4 10946 B12R1.382 CCCSc1cc(ccn1)C#N 62a_100000210303_100011291639 [0,2,0,0,0,0|2,0,0]=4 10947 B12R1.382 CCCSc1cc(ccn1)C=O 62a_100000210303_100011290808 [0,2,0,0,0,0|2,0,0]=4 10948 B12R1.382 CCCSc1cc(ccn1)C=O 62a_100011290808_100000210303 [0,2,0,0,0,0|2,0,0]=4 10949 B12R1.382 CCCSc1cc(ccn1)CC 62a_100000210303_100009817561 [0,2,0,0,0,0|2,0,0]=4 10950 B12R1.382 CCCSc1cc(ccn1)CC 62a_100009817561_100000210303 [0,2,0,0,0,0|2,0,0]=4 10951 B12R1.382 CCCSc1cc(ccn1)CN 62a_100000210303_100025757509 [0,2,0,0,0,0|2,0,0]=4 10952 B12R1.382 CCCSc1cc(ccn1)CN 62a_100025757509_100000210303 [0,2,0,0,0,0|2,0,0]=4 10953 B12R1.382 CCCSc1cc(ccn1)CO 62a_100000210303_100009814636 [0,2,0,0,0,0|2,0,0]=4 10954 B12R1.382 CCCSc1cc(ccn1)CO 62a_100009814636_100000210303 [0,2,0,0,0,0|2,0,0]=4 10955 B12R1.382 CCCSc1cc(ccn1)NC 62a_100000210303_100009869472 [0,2,0,0,0,0|2,0,0]=4 10956 B12R1.382 CCCSc1cc(ccn1)NC 62a_100009869472_100000210303 [0,2,0,0,0,0|2,0,0]=4 10957 B12R1.382 CCCSc1cc(ccn1)NN 62a_100000089018_100000210303 [0,2,0,0,0,0|2,0,0]=4 10958 B12R1.382 CCCSc1cc(ccn1)NN 62a_100000210303_100000089018 [0,2,0,0,0,0|2,0,0]=4 10959 B12R1.382 CCCSc1cc(ccn1)OC 62a_100000210303_100011216251 [0,2,0,0,0,0|2,0,0]=4 10960 B12R1.382 CCCSc1cc(ccn1)OC 62a_100009817693_100000210303 [0,2,0,0,0,0|2,0,0]=4 10961 B12R1.382 CCCSc1cc(ccn1)SC 62a_100000210303_100010883326 [0,2,0,0,0,0|2,0,0]=4 10962 B12R1.382 CCCSc1cc(ccn1)SC 62a_100010883326_100000210303 [0,2,0,0,0,0|2,0,0]=4 10963 B12R1.382 CCCSc1cccc(n1)C#N 62a_100000210303_100011934037 [0,2,0,0,0,0|2,0,0]=4 10964 B12R1.382 CCCSc1cccc(n1)C=O 62a_100000210303_100000688028 [0,2,0,0,0,0|2,0,0]=4 10965 B12R1.382 CCCSc1cccc(n1)C=O 62a_100000688028_100000210303 [0,2,0,0,0,0|2,0,0]=4 10966 B12R1.382 CCCSc1cccc(n1)CC 62a_100000210303_100009856026 [0,2,0,0,0,0|2,0,0]=4 10967 B12R1.382 CCCSc1cccc(n1)CC 62a_100009856026_100000210303 [0,2,0,0,0,0|2,0,0]=4 10968 B12R1.382 CCCSc1cccc(n1)CN 62a_100000210303_100016990191 [0,2,0,0,0,0|2,0,0]=4 10969 B12R1.382 CCCSc1cccc(n1)CN 62a_100016990191_100000210303 [0,2,0,0,0,0|2,0,0]=4 10970 B12R1.382 CCCSc1cccc(n1)CO 62a_100000210303_100000694195 [0,2,0,0,0,0|2,0,0]=4 10971 B12R1.382 CCCSc1cccc(n1)CO 62a_100000694195_100000210303 [0,2,0,0,0,0|2,0,0]=4 10972 B12R1.382 CCCSc1cccc(n1)NC 62a_100000210303_100000703281 [0,2,0,0,0,0|2,0,0]=4 10973 B12R1.382 CCCSc1cccc(n1)NC 62a_100000703281_100000210303 [0,2,0,0,0,0|2,0,0]=4 10974 B12R1.382 CCCSc1cccc(n1)NN 62a_100000210303_100009817029 [0,2,0,0,0,0|2,0,0]=4 10975 B12R1.382 CCCSc1cccc(n1)NN 62a_100009817029_100000210303 [0,2,0,0,0,0|2,0,0]=4 10976 B12R1.382 CCCSc1cccc(n1)OC 62a_100000210303_100000760917 [0,2,0,0,0,0|2,0,0]=4 10977 B12R1.382 CCCSc1cccc(n1)OC 62a_100000760917_100000210303 [0,2,0,0,0,0|2,0,0]=4 10978 B12R1.382 CCCSc1cccc(n1)SC 62a_100000210303_100011960944 [0,2,0,0,0,0|2,0,0]=4 10979 B12R1.382 CCCSc1cccc(n1)SC 62a_100011960944_100000210303 [0,2,0,0,0,0|2,0,0]=4 10980 B12R1.382 CCNCc1cc(ccn1)C#N 270004a_100015525214_100009883299 [0,2,0,0,0,0|2,0,0]=4 10981 B12R1.382 CCNCc1cc(ccn1)OC 207a_100015525214_100000087537 [0,2,0,0,0,0|2,0,0]=4 10982 B12R1.382 CCNCc1cc(ccn1)OC 2230a_100015525214_100000752681 [0,2,0,0,0,0|2,0,0]=4 10983 B12R1.382 CCNCc1cc(ccn1)OC 270004a_100015525214_100000087537 [0,2,0,0,0,0|2,0,0]=4 10984 B12R1.382 CCNCc1cccc(n1)C#N 2230a_100015525214_100000097530 [0,2,0,0,0,0|2,0,0]=4 10985 B12R1.382 CCNCc1cccc(n1)CF 207a_100015525214_100016121940 [0,2,0,0,0,0|2,0,0]=4 10986 B12R1.382 CCNCc1cccc(n1)CF 270004a_100015525214_100016121940 [0,2,0,0,0,0|2,0,0]=4 10987 B12R1.382 CCNCc1cccc(n1)CO 207a_100015525214_200000070131 [0,2,0,0,0,0|2,0,0]=4 10988 B12R1.382 CCNCc1cccc(n1)CO 2230a_100015525214_100009813551 [0,2,0,0,0,0|2,0,0]=4 10989 B12R1.382 CCNCc1cccc(n1)CO 270004a_100015525214_200000070131 [0,2,0,0,0,0|2,0,0]=4 10990 B12R1.382 CCNCc1cccc(n1)OC 207a_100015525214_100000694346 [0,2,0,0,0,0|2,0,0]=4 10991 B12R1.382 CCNCc1cccc(n1)OC 2230a_100000746380_100000210202 [0,2,0,0,0,0|2,0,0]=4 10992 B12R1.382 CCNCc1cccc(n1)OC 2230a_100015525214_100000755263 [0,2,0,0,0,0|2,0,0]=4 10993 B12R1.382 CCNCc1cccc(n1)OC 270004a_100015525214_100000694346 [0,2,0,0,0,0|2,0,0]=4 10994 B12R1.382 CCOCc1cc(ccn1)CN 34a_100020589248_100000210202 [0,2,0,0,0,0|2,0,0]=4 10995 B12R1.382 CCOCc1cc(ccn1)OC 34a_100000749536_100000210202 [0,2,0,0,0,0|2,0,0]=4 10996 B12R1.382 CCOCc1cc(ccn1)OC 34a_100121572206_100000752681 [0,2,0,0,0,0|2,0,0]=4 10997 B12R1.382 CCOCc1cccc(n1)C#N 34a_100121572206_100000097530 [0,2,0,0,0,0|2,0,0]=4 10998 B12R1.382 CCOCc1cccc(n1)C#N 7a_200000085287_100000210202 [0,2,0,0,0,0|2,0,0]=4 10999 B12R1.382 CCOCc1cccc(n1)CO 34a_100121572206_100009813551 [0,2,0,0,0,0|2,0,0]=4 11000 B12R1.382 CCOCc1cccc(n1)OC 34a_100121572206_100000755263 [0,2,0,0,0,0|2,0,0]=4 11001 B12R1.382 CCSCc1cc(ccn1)OC 62a_100000210202_100000752681 [0,2,0,0,0,0|2,0,0]=4 11002 B12R1.382 CCSCc1cc(ccn1)OC 62a_100000752681_100000210202 [0,2,0,0,0,0|2,0,0]=4 11003 B12R1.382 CCSCc1cccc(n1)C#N 62a_100000210202_100000097530 [0,2,0,0,0,0|2,0,0]=4 11004 B12R1.382 CCSCc1cccc(n1)CO 62a_100000210202_100009813551 [0,2,0,0,0,0|2,0,0]=4 11005 B12R1.382 CCSCc1cccc(n1)CO 62a_100009813551_100000210202 [0,2,0,0,0,0|2,0,0]=4 11006 B12R1.382 CCSCc1cccc(n1)OC 62a_100000210202_100000755263 [0,2,0,0,0,0|2,0,0]=4 11007 B12R1.382 CCSCc1cccc(n1)OC 62a_100000755263_100000210202 [0,2,0,0,0,0|2,0,0]=4 11008 B12R1.382 CCc1cccc(n1)SCOC 62a_100000766300_100009856026 [0,2,0,0,0,0|2,0,0]=4 11009 B12R1.382 CCc1cccc(n1)SCOC 62a_100009856026_100000766300 [0,2,0,0,0,0|2,0,0]=4 11010 B12R1.382 CCc1cccc(n1)SCSC 62a_100009856026_100011218213 [0,2,0,0,0,0|2,0,0]=4 11011 B12R1.382 CCc1cccc(n1)SCSC 62a_100011218213_100009856026 [0,2,0,0,0,0|2,0,0]=4 11012 B12R1.382 CCc1ccnc(c1)SCOC 62a_100000766300_100009817561 [0,2,0,0,0,0|2,0,0]=4 11013 B12R1.382 CCc1ccnc(c1)SCOC 62a_100009817561_100000766300 [0,2,0,0,0,0|2,0,0]=4 11014 B12R1.382 CCc1ccnc(c1)SCSC 62a_100009817561_100011218213 [0,2,0,0,0,0|2,0,0]=4 11015 B12R1.382 CCc1ccnc(c1)SCSC 62a_100011218213_100009817561 [0,2,0,0,0,0|2,0,0]=4 11016 B12R1.382 CNCCc1cccc(c1)OC 2230a_100000740386_200000210301 [0,2,0,0,0,0|1,0,0]=3 11017 B12R1.382 CNCCc1cccc(c1)OC 2230a_106832991635_100011713679 [0,2,0,0,0,0|1,0,0]=3 11018 B12R1.382 CNCCc1cccc(c1)OC 34a_100000740386_200000210301 [0,2,0,0,0,0|1,0,0]=3 11019 B12R1.382 CNCCc1cccc(c1)OC 34a_100102657272_100011713679 [0,2,0,0,0,0|1,0,0]=3 11020 B12R1.382 CNCCc1cccc(c1)OC 7a_106832991635_100011713679 [0,2,0,0,0,0|1,0,0]=3 11021 B12R1.382 CNc1cccc(n1)SCOC 62a_100000703281_100000766300 [0,2,0,0,0,0|2,0,0]=4 11022 B12R1.382 CNc1cccc(n1)SCOC 62a_100000766300_100000703281 [0,2,0,0,0,0|2,0,0]=4 11023 B12R1.382 CNc1cccc(n1)SCSC 62a_100000703281_100011218213 [0,2,0,0,0,0|2,0,0]=4 11024 B12R1.382 CNc1cccc(n1)SCSC 62a_100011218213_100000703281 [0,2,0,0,0,0|2,0,0]=4 11025 B12R1.382 CNc1ccnc(c1)SCOC 62a_100000766300_100009869472 [0,2,0,0,0,0|2,0,0]=4 11026 B12R1.382 CNc1ccnc(c1)SCOC 62a_100009869472_100000766300 [0,2,0,0,0,0|2,0,0]=4 11027 B12R1.382 CNc1ccnc(c1)SCSC 62a_100009869472_100011218213 [0,2,0,0,0,0|2,0,0]=4 11028 B12R1.382 CNc1ccnc(c1)SCSC 62a_100011218213_100009869472 [0,2,0,0,0,0|2,0,0]=4 11029 B12R1.382 COCCc1cccc(c1)C#N 34a_100012001419_200000210301 [0,2,0,0,0,0|2,0,0]=4 11030 B12R1.382 COCCc1cccc(c1)C#N 7a_100012001419_200000210301 [0,2,0,0,0,0|2,0,0]=4 11031 B12R1.382 COCCc1cccc(c1)OC 34a_100011215300_200000210301 [0,2,0,0,0,0|2,0,0]=4 11032 B12R1.382 COCCc1cccc(c1)OC 34a_100138415774_100011713679 [0,2,0,0,0,0|2,0,0]=4 11033 B12R1.382 COCCc1cccc(c1)OC 7a_100011215300_200000210301 [0,2,0,0,0,0|2,0,0]=4 11034 B12R1.382 COCSc1cc(ccn1)C#N 62a_100000766300_100011291639 [0,2,0,0,0,0|2,0,0]=4 11035 B12R1.382 COCSc1cc(ccn1)C=O 62a_100000766300_100011290808 [0,2,0,0,0,0|2,0,0]=4 11036 B12R1.382 COCSc1cc(ccn1)C=O 62a_100011290808_100000766300 [0,2,0,0,0,0|2,0,0]=4 11037 B12R1.382 COCSc1cc(ccn1)CN 62a_100000766300_100025757509 [0,2,0,0,0,0|2,0,0]=4 11038 B12R1.382 COCSc1cc(ccn1)CN 62a_100025757509_100000766300 [0,2,0,0,0,0|2,0,0]=4 11039 B12R1.382 COCSc1cc(ccn1)CO 62a_100000766300_100009814636 [0,2,0,0,0,0|2,0,0]=4 11040 B12R1.382 COCSc1cc(ccn1)CO 62a_100009814636_100000766300 [0,2,0,0,0,0|2,0,0]=4 11041 B12R1.382 COCSc1cc(ccn1)NN 62a_100000089018_100000766300 [0,2,0,0,0,0|2,0,0]=4 11042 B12R1.382 COCSc1cc(ccn1)NN 62a_100000766300_100000089018 [0,2,0,0,0,0|2,0,0]=4 11043 B12R1.382 COCSc1cc(ccn1)OC 62a_100000766300_100011216251 [0,2,0,0,0,0|2,0,0]=4 11044 B12R1.382 COCSc1cc(ccn1)OC 62a_100009817693_100000766300 [0,2,0,0,0,0|2,0,0]=4 11045 B12R1.382 COCSc1cc(ccn1)SC 62a_100000766300_100010883326 [0,2,0,0,0,0|2,0,0]=4 11046 B12R1.382 COCSc1cc(ccn1)SC 62a_100010883326_100000766300 [0,2,0,0,0,0|2,0,0]=4 11047 B12R1.382 COCSc1cccc(n1)C#N 62a_100000766300_100011934037 [0,2,0,0,0,0|2,0,0]=4 11048 B12R1.382 COCSc1cccc(n1)C=O 62a_100000688028_100000766300 [0,2,0,0,0,0|2,0,0]=4 11049 B12R1.382 COCSc1cccc(n1)C=O 62a_100000766300_100000688028 [0,2,0,0,0,0|2,0,0]=4 11050 B12R1.382 COCSc1cccc(n1)CN 62a_100000766300_100016990191 [0,2,0,0,0,0|2,0,0]=4 11051 B12R1.382 COCSc1cccc(n1)CN 62a_100016990191_100000766300 [0,2,0,0,0,0|2,0,0]=4 11052 B12R1.382 COCSc1cccc(n1)CO 62a_100000694195_100000766300 [0,2,0,0,0,0|2,0,0]=4 11053 B12R1.382 COCSc1cccc(n1)CO 62a_100000766300_100000694195 [0,2,0,0,0,0|2,0,0]=4 11054 B12R1.382 COCSc1cccc(n1)NN 62a_100000766300_100009817029 [0,2,0,0,0,0|2,0,0]=4 11055 B12R1.382 COCSc1cccc(n1)NN 62a_100009817029_100000766300 [0,2,0,0,0,0|2,0,0]=4 11056 B12R1.382 COCSc1cccc(n1)OC 62a_100000760917_100000766300 [0,2,0,0,0,0|2,0,0]=4 11057 B12R1.382 COCSc1cccc(n1)OC 62a_100000766300_100000760917 [0,2,0,0,0,0|2,0,0]=4 11058 B12R1.382 COCSc1cccc(n1)SC 62a_100000766300_100011960944 [0,2,0,0,0,0|2,0,0]=4 11059 B12R1.382 COCSc1cccc(n1)SC 62a_100011960944_100000766300 [0,2,0,0,0,0|2,0,0]=4 11060 B12R1.382 COc1cccc(c1)CCN[13CH3] 2230a_100000740386_200025704644 [0,2,0,0,0,0|1,0,0]=3 11061 B12R1.382 COc1cccc(c1)CCN[13CH3] 34a_100000740386_200025704644 [0,2,0,0,0,0|1,0,0]=3 11062 B12R1.382 COc1cccc(c1)CCO[13CH3] 34a_100011215300_200025704644 [0,2,0,0,0,0|2,0,0]=4 11063 B12R1.382 COc1cccc(c1)CCO[13CH3] 7a_100011215300_200025704644 [0,2,0,0,0,0|2,0,0]=4 11064 B12R1.382 COc1cccc(c1)CCSC 62a_100011713679_200000210301 [0,2,0,0,0,0|2,0,0]=4 11065 B12R1.382 COc1cccc(c1)CCSC 62a_200000210301_100011713679 [0,2,0,0,0,0|2,0,0]=4 11066 B12R1.382 COc1cccc(c1)CCS[13CH3] 62a_100011713679_200025704644 [0,2,0,0,0,0|2,0,0]=4 11067 B12R1.382 COc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713679 [0,2,0,0,0,0|2,0,0]=4 11068 B12R1.382 COc1cccc(n1)SCSC 62a_100000760917_100011218213 [0,2,0,0,0,0|2,0,0]=4 11069 B12R1.382 COc1cccc(n1)SCSC 62a_100011218213_100000760917 [0,2,0,0,0,0|2,0,0]=4 11070 B12R1.382 COc1ccnc(c1)SCSC 62a_100009817693_100011218213 [0,2,0,0,0,0|2,0,0]=4 11071 B12R1.382 COc1ccnc(c1)SCSC 62a_100011218213_100011216251 [0,2,0,0,0,0|2,0,0]=4 11072 B12R1.382 CSCOc1cc(ccn1)CN 34a_100000748557_100011218213 [0,2,0,0,0,0|2,0,0]=4 11073 B12R1.382 CSCSc1cc(ccn1)C#N 62a_100011218213_100011291639 [0,2,0,0,0,0|2,0,0]=4 11074 B12R1.382 CSCSc1cc(ccn1)C=O 62a_100011218213_100011290808 [0,2,0,0,0,0|2,0,0]=4 11075 B12R1.382 CSCSc1cc(ccn1)C=O 62a_100011290808_100011218213 [0,2,0,0,0,0|2,0,0]=4 11076 B12R1.382 CSCSc1cc(ccn1)CN 62a_100011218213_100025757509 [0,2,0,0,0,0|2,0,0]=4 11077 B12R1.382 CSCSc1cc(ccn1)CN 62a_100025757509_100011218213 [0,2,0,0,0,0|2,0,0]=4 11078 B12R1.382 CSCSc1cc(ccn1)CO 62a_100009814636_100011218213 [0,2,0,0,0,0|2,0,0]=4 11079 B12R1.382 CSCSc1cc(ccn1)CO 62a_100011218213_100009814636 [0,2,0,0,0,0|2,0,0]=4 11080 B12R1.382 CSCSc1cc(ccn1)NN 62a_100000089018_100011218213 [0,2,0,0,0,0|2,0,0]=4 11081 B12R1.382 CSCSc1cc(ccn1)NN 62a_100011218213_100000089018 [0,2,0,0,0,0|2,0,0]=4 11082 B12R1.382 CSCSc1cc(ccn1)SC 62a_100010883326_100011218213 [0,2,0,0,0,0|2,0,0]=4 11083 B12R1.382 CSCSc1cc(ccn1)SC 62a_100011218213_100010883326 [0,2,0,0,0,0|2,0,0]=4 11084 B12R1.382 CSCSc1cccc(n1)C#N 62a_100011218213_100011934037 [0,2,0,0,0,0|2,0,0]=4 11085 B12R1.382 CSCSc1cccc(n1)C=O 62a_100000688028_100011218213 [0,2,0,0,0,0|2,0,0]=4 11086 B12R1.382 CSCSc1cccc(n1)C=O 62a_100011218213_100000688028 [0,2,0,0,0,0|2,0,0]=4 11087 B12R1.382 CSCSc1cccc(n1)CN 62a_100011218213_100016990191 [0,2,0,0,0,0|2,0,0]=4 11088 B12R1.382 CSCSc1cccc(n1)CN 62a_100016990191_100011218213 [0,2,0,0,0,0|2,0,0]=4 11089 B12R1.382 CSCSc1cccc(n1)CO 62a_100000694195_100011218213 [0,2,0,0,0,0|2,0,0]=4 11090 B12R1.382 CSCSc1cccc(n1)CO 62a_100011218213_100000694195 [0,2,0,0,0,0|2,0,0]=4 11091 B12R1.382 CSCSc1cccc(n1)NN 62a_100009817029_100011218213 [0,2,0,0,0,0|2,0,0]=4 11092 B12R1.382 CSCSc1cccc(n1)NN 62a_100011218213_100009817029 [0,2,0,0,0,0|2,0,0]=4 11093 B12R1.382 CSCSc1cccc(n1)SC 62a_100011218213_100011960944 [0,2,0,0,0,0|2,0,0]=4 11094 B12R1.382 CSCSc1cccc(n1)SC 62a_100011960944_100011218213 [0,2,0,0,0,0|2,0,0]=4 11095 B12R1.382 [13CH3]OCCc1cccc(c1)C#N 34a_100012001419_200025704644 [0,2,0,0,0,0|2,0,0]=4 11096 B12R1.382 [13CH3]OCCc1cccc(c1)C#N 7a_100012001419_200025704644 [0,2,0,0,0,0|2,0,0]=4 11097 B12R1.8 BrCCCOCc1ccccc1 34a_100011217188_100015291786 [0,2,0,0,0,0|2,0,0]=4 11098 B12R1.8 BrCCCOCc1ccccn1 34a_100011217188_100000721315 [0,2,0,0,0,0|1,0,0]=3 11099 B12R1.8 BrCCCOCc1cccnn1 34a_100011217188_100016990269 [0,2,0,0,0,0|2,0,0]=4 11100 B12R1.8 BrCCCOCc1cnccn1 34a_100011217188_100016995436 [0,2,0,0,0,0|2,0,0]=4 11101 B12R1.8 BrCCCOCc1ncccn1 34a_100011217188_100000703007 [0,2,0,0,0,0|2,0,0]=4 11102 B12R1.8 BrCCOCCc1ccccc1 34a_100000211926_100000765856 [0,2,0,0,0,0|2,0,0]=4 11103 B12R1.8 C#CCCCSc1ccccn1 62a_100011215417_100011216584 [0,2,0,0,0,0|1,0,1]=4 11104 B12R1.8 C#CCCCSc1ccccn1 62a_100011216584_100011215417 [0,2,0,0,0,0|1,0,1]=4 11105 B12R1.8 C#CCCNCc1ccccn1 34a_100000755551_100000721315 [0,2,0,0,0,0|1,0,1]=4 11106 B12R1.8 C#CCCOCc1ccccn1 34a_100011215631_100000721315 [0,2,0,0,0,0|1,0,1]=4 11107 B12R1.8 C#CCCSCc1ccccn1 62a_100000688953_100000721315 [0,2,0,0,0,0|1,0,1]=4 11108 B12R1.8 C#CCCSCc1ccccn1 62a_100000721315_100000688953 [0,2,0,0,0,0|1,0,1]=4 11109 B12R1.8 C#CCNCCc1ccccc1 2230a_100000106460_100000038162 [0,2,0,0,0,0|1,0,0]=3 11110 B12R1.8 C#CCNCCc1ccccc1 34a_100000106460_100000184674 [0,2,0,0,0,0|1,0,0]=3 11111 B12R1.8 C#CCNCCc1ccccc1 34a_100000212058_100000765856 [0,2,0,0,0,0|1,0,0]=3 11112 B12R1.8 C#CCNCCc1cccnc1 2230a_100000736294_100000038162 [0,2,0,0,0,0|2,0,0]=4 11113 B12R1.8 C#CCOCCc1ccccc1 34a_100000210247_100000765856 [0,2,0,0,0,0|2,0,0]=4 11114 B12R1.8 C#CCOCCc1ccccc1 34a_100000210268_100000184674 [0,2,0,0,0,0|2,0,0]=4 11115 B12R1.8 C#CCOCCc1ccccc1 7a_100000210268_100000038162 [0,2,0,0,0,0|2,0,0]=4 11116 B12R1.8 C#CCOCCc1ccccn1 34a_100000210271_100000184674 [0,2,0,0,0,0|1,0,0]=3 11117 B12R1.8 C#CCOCCc1cnccn1 34a_100011349526_100000184674 [0,2,0,0,0,0|2,0,0]=4 11118 B12R1.8 C#CCSCCc1ccccc1 62a_100000038162_100011218657 [0,2,0,0,0,0|2,0,0]=4 11119 B12R1.8 C#CCSCCc1ccccn1 62a_100000038162_100015183660 [0,2,0,0,0,0|1,0,0]=3 11120 B12R1.8 C/C=C/CNCc1ccccc1 34a_100015324214_100102629194 [0,2,0,0,0,0|2,0,0]=4 11121 B12R1.8 C/C=C/COCc1ccccc1 34a_100000210790_100102629194 [0,2,0,0,0,0|2,0,0]=4 11122 B12R1.8 C/C=C/COCc1ccccc1 34a_100016270725_100015291786 [0,2,0,0,0,0|2,0,0]=4 11123 B12R1.8 C/C=C/COCc1ccccc1 7a_100000210790_100102629194 [0,2,0,0,0,0|2,0,0]=4 11124 B12R1.8 C/C=C/COCc1ccccn1 34a_100016270725_100000721315 [0,2,0,0,0,0|1,0,0]=3 11125 B12R1.8 C/C=C/COCc1cccnn1 34a_100016270725_100016990269 [0,2,0,0,0,0|2,0,0]=4 11126 B12R1.8 C/C=C/COCc1cnccn1 34a_100016270725_100016995436 [0,2,0,0,0,0|2,0,0]=4 11127 B12R1.8 C/C=C/COCc1ncccn1 34a_100016270725_100000703007 [0,2,0,0,0,0|2,0,0]=4 11128 B12R1.8 C/C=C/CSCc1ccccc1 62a_100000211182_100102629194 [0,2,0,0,0,0|2,0,0]=4 11129 B12R1.8 C/C=C/CSCc1ccccc1 62a_100102629194_100015291786 [0,2,0,0,0,0|2,0,0]=4 11130 B12R1.8 C/C=C/CSCc1ccccn1 62a_100000721315_100102629194 [0,2,0,0,0,0|1,0,0]=3 11131 B12R1.8 C/C=C/CSCc1ccccn1 62a_100102629194_100000721315 [0,2,0,0,0,0|1,0,0]=3 11132 B12R1.8 C/C=C/CSCc1cccnn1 62a_100016990269_100102629194 [0,2,0,0,0,0|2,0,0]=4 11133 B12R1.8 C/C=C/CSCc1cccnn1 62a_100102629194_100016990269 [0,2,0,0,0,0|2,0,0]=4 11134 B12R1.8 C/C=C/CSCc1cnccn1 62a_100016995436_100102629194 [0,2,0,0,0,0|2,0,0]=4 11135 B12R1.8 C/C=C/CSCc1cnccn1 62a_100102629194_100016995436 [0,2,0,0,0,0|2,0,0]=4 11136 B12R1.8 C/C=C/CSCc1ncccn1 62a_100000703007_100102629194 [0,2,0,0,0,0|2,0,0]=4 11137 B12R1.8 C/C=C/CSCc1ncccn1 62a_100102629194_100000703007 [0,2,0,0,0,0|2,0,0]=4 11138 B12R1.8 C=CCCCSc1ccccn1 62a_100011216584_100000757094 [0,2,0,0,0,0|1,0,1]=4 11139 B12R1.8 C=CCCCSc1ccccn1 62a_100011713584_100011216584 [0,2,0,0,0,0|1,0,1]=4 11140 B12R1.8 C=CCCNCc1ccccn1 207a_100015191253_100000209966 [0,2,0,0,0,0|1,0,1]=4 11141 B12R1.8 C=CCCNCc1ccccn1 2230a_100015191253_100000721315 [0,2,0,0,0,0|1,0,1]=4 11142 B12R1.8 C=CCCNCc1ccccn1 270004a_100015191253_100000209966 [0,2,0,0,0,0|1,0,1]=4 11143 B12R1.8 C=CCCOCc1ccccn1 34a_100011205117_100000721315 [0,2,0,0,0,0|1,0,1]=4 11144 B12R1.8 C=CCCSCc1ccccn1 62a_100000721315_100000754431 [0,2,0,0,0,0|1,0,1]=4 11145 B12R1.8 C=CCCSCc1ccccn1 62a_100000754431_100000721315 [0,2,0,0,0,0|1,0,1]=4 11146 B12R1.8 C=CCNCCc1ccccc1 2230a_100000106460_100000210623 [0,2,0,0,0,0|1,0,0]=3 11147 B12R1.8 C=CCNCCc1ccccc1 2230a_100020586998_100000765856 [0,2,0,0,0,0|1,0,0]=3 11148 B12R1.8 C=CCNCCc1ccccc1 34a_100000106460_100015514636 [0,2,0,0,0,0|1,0,0]=3 11149 B12R1.8 C=CCNCCc1ccccn1 2230a_100020586998_100015183660 [0,2,0,0,0,0|0,0,0]=2 11150 B12R1.8 C=CCNCCc1cccnc1 2230a_100000736294_100000210623 [0,2,0,0,0,0|2,0,0]=4 11151 B12R1.8 C=CCNCCc1cccnc1 2230a_100020586998_200011713674 [0,2,0,0,0,0|2,0,0]=4 11152 B12R1.8 C=CCNCCc1ccncc1 2230a_100020586998_100000723409 [0,2,0,0,0,0|2,0,0]=4 11153 B12R1.8 C=CCNCSc1ccccc1 2230a_100020586998_100011218342 [0,2,0,0,0,0|2,0,0]=4 11154 B12R1.8 C=CCOCCc1ccccc1 34a_100000210268_100015514636 [0,2,0,0,0,0|2,0,0]=4 11155 B12R1.8 C=CCOCCc1ccccc1 34a_200000210373_100000765856 [0,2,0,0,0,0|2,0,0]=4 11156 B12R1.8 C=CCOCCc1ccccc1 7a_100000210268_100015514636 [0,2,0,0,0,0|2,0,0]=4 11157 B12R1.8 C=CCOCCc1ccccn1 34a_100000210271_100015514636 [0,2,0,0,0,0|1,0,0]=3 11158 B12R1.8 C=CCOCCc1cnccn1 34a_100011349526_100015514636 [0,2,0,0,0,0|2,0,0]=4 11159 B12R1.8 C=CCSCCc1ccccc1 62a_100000210623_100011218657 [0,2,0,0,0,0|2,0,0]=4 11160 B12R1.8 C=CCSCCc1ccccc1 62a_100000765856_100000210623 [0,2,0,0,0,0|2,0,0]=4 11161 B12R1.8 C=CCSCCc1ccccn1 62a_100000210623_100015183660 [0,2,0,0,0,0|1,0,0]=3 11162 B12R1.8 C=CCSCCc1ccccn1 62a_100015183660_100000210623 [0,2,0,0,0,0|1,0,0]=3 11163 B12R1.8 C=COCCSc1ccccn1 62a_100000039644_100011216584 [0,2,0,0,0,0|1,0,1]=4 11164 B12R1.8 C=COCCSc1ccccn1 62a_100011216584_100000039644 [0,2,0,0,0,0|1,0,1]=4 11165 B12R1.8 CC#CCNCc1ccccc1 2230a_100000685387_100015291786 [0,2,0,0,0,0|2,0,0]=4 11166 B12R1.8 CC#CCNCc1ccccc1 2230a_100015324214_100000748600 [0,2,0,0,0,0|2,0,0]=4 11167 B12R1.8 CC#CCNCc1ccccc1 34a_100000685387_100015291786 [0,2,0,0,0,0|2,0,0]=4 11168 B12R1.8 CC#CCNCc1ccccc1 34a_100015324214_100000748600 [0,2,0,0,0,0|2,0,0]=4 11169 B12R1.8 CC#CCNCc1ccccn1 2230a_100000685387_100000721315 [0,2,0,0,0,0|1,0,0]=3 11170 B12R1.8 CC#CCNCc1ccccn1 34a_100000685387_100000721315 [0,2,0,0,0,0|1,0,0]=3 11171 B12R1.8 CC#CCNCc1cccnn1 2230a_100000685387_100016990269 [0,2,0,0,0,0|2,0,0]=4 11172 B12R1.8 CC#CCNCc1cccnn1 2230a_100159270163_100000748600 [0,2,0,0,0,0|2,0,0]=4 11173 B12R1.8 CC#CCNCc1cccnn1 34a_100000685387_100016990269 [0,2,0,0,0,0|2,0,0]=4 11174 B12R1.8 CC#CCNCc1cnccn1 2230a_100000685387_100016995436 [0,2,0,0,0,0|2,0,0]=4 11175 B12R1.8 CC#CCNCc1cnccn1 34a_100000685387_100016995436 [0,2,0,0,0,0|2,0,0]=4 11176 B12R1.8 CC#CCNCc1ncccn1 2230a_100000685387_100000703007 [0,2,0,0,0,0|2,0,0]=4 11177 B12R1.8 CC#CCNCc1ncccn1 34a_100000685387_100000703007 [0,2,0,0,0,0|2,0,0]=4 11178 B12R1.8 CC#CCOCc1ccccc1 34a_100000210790_100000748600 [0,2,0,0,0,0|2,0,0]=4 11179 B12R1.8 CC#CCOCc1ccccc1 34a_100000761923_100015291786 [0,2,0,0,0,0|2,0,0]=4 11180 B12R1.8 CC#CCOCc1ccccc1 7a_100000210790_100000748600 [0,2,0,0,0,0|2,0,0]=4 11181 B12R1.8 CC#CCOCc1ccccn1 34a_100000761923_100000721315 [0,2,0,0,0,0|1,0,0]=3 11182 B12R1.8 CC#CCOCc1cccnn1 34a_100000761923_100016990269 [0,2,0,0,0,0|2,0,0]=4 11183 B12R1.8 CC#CCOCc1cnccn1 34a_100000761923_100016995436 [0,2,0,0,0,0|2,0,0]=4 11184 B12R1.8 CC#CCOCc1ncccn1 34a_100000761923_100000703007 [0,2,0,0,0,0|2,0,0]=4 11185 B12R1.8 CC#CCSCc1ccccc1 62a_100000211182_100000748600 [0,2,0,0,0,0|2,0,0]=4 11186 B12R1.8 CC#CCSCc1ccccc1 62a_100000748600_100015291786 [0,2,0,0,0,0|2,0,0]=4 11187 B12R1.8 CC#CCSCc1ccccn1 62a_100000721315_100000748600 [0,2,0,0,0,0|1,0,0]=3 11188 B12R1.8 CC#CCSCc1ccccn1 62a_100000748600_100000721315 [0,2,0,0,0,0|1,0,0]=3 11189 B12R1.8 CC#CCSCc1cccnn1 62a_100000748600_100016990269 [0,2,0,0,0,0|2,0,0]=4 11190 B12R1.8 CC#CCSCc1cccnn1 62a_100016990269_100000748600 [0,2,0,0,0,0|2,0,0]=4 11191 B12R1.8 CC#CCSCc1cnccn1 62a_100000748600_100016995436 [0,2,0,0,0,0|2,0,0]=4 11192 B12R1.8 CC#CCSCc1cnccn1 62a_100016995436_100000748600 [0,2,0,0,0,0|2,0,0]=4 11193 B12R1.8 CC#CCSCc1ncccn1 62a_100000703007_100000748600 [0,2,0,0,0,0|2,0,0]=4 11194 B12R1.8 CC#CCSCc1ncccn1 62a_100000748600_100000703007 [0,2,0,0,0,0|2,0,0]=4 11195 B12R1.8 CC/C=C\CSc1ccccn1 62a_100011216584_100103147603 [0,2,0,0,0,0|1,0,1]=4 11196 B12R1.8 CC/C=C\CSc1ccccn1 62a_100103147603_100011216584 [0,2,0,0,0,0|1,0,1]=4 11197 B12R1.8 CC=CCNCc1ccccc1 2230a_100015324214_100000070051 [0,2,0,0,0,0|2,0,0]=4 11198 B12R1.8 CC=CCNCc1ccccc1 34a_100015324214_100000070051 [0,2,0,0,0,0|2,0,0]=4 11199 B12R1.8 CC=CCNCc1cccnn1 2230a_100159270163_100000070051 [0,2,0,0,0,0|2,0,0]=4 11200 B12R1.8 CC=CCOCc1ccccc1 34a_100000210790_100000070051 [0,2,0,0,0,0|2,0,0]=4 11201 B12R1.8 CC=CCOCc1ccccc1 7a_100000210790_100000070051 [0,2,0,0,0,0|2,0,0]=4 11202 B12R1.8 CC=CCSCc1ccccc1 62a_100000070051_100015291786 [0,2,0,0,0,0|2,0,0]=4 11203 B12R1.8 CC=CCSCc1ccccc1 62a_100000211182_100000070051 [0,2,0,0,0,0|2,0,0]=4 11204 B12R1.8 CC=CCSCc1ccccn1 62a_100000070051_100000721315 [0,2,0,0,0,0|1,0,0]=3 11205 B12R1.8 CC=CCSCc1ccccn1 62a_100000721315_100000070051 [0,2,0,0,0,0|1,0,0]=3 11206 B12R1.8 CC=CCSCc1cccnn1 62a_100000070051_100016990269 [0,2,0,0,0,0|2,0,0]=4 11207 B12R1.8 CC=CCSCc1cccnn1 62a_100016990269_100000070051 [0,2,0,0,0,0|2,0,0]=4 11208 B12R1.8 CC=CCSCc1cnccn1 62a_100000070051_100016995436 [0,2,0,0,0,0|2,0,0]=4 11209 B12R1.8 CC=CCSCc1cnccn1 62a_100016995436_100000070051 [0,2,0,0,0,0|2,0,0]=4 11210 B12R1.8 CC=CCSCc1ncccn1 62a_100000070051_100000703007 [0,2,0,0,0,0|2,0,0]=4 11211 B12R1.8 CC=CCSCc1ncccn1 62a_100000703007_100000070051 [0,2,0,0,0,0|2,0,0]=4 11212 B12R1.8 CC=NNCCc1ccccc1 4a_100000740470_200000210099 [0,2,0,0,0,0|1,0,0]=3 11213 B12R1.8 CCC#CCSc1ccccn1 62a_100009813939_100011216584 [0,2,0,0,0,0|1,0,1]=4 11214 B12R1.8 CCC#CCSc1ccccn1 62a_100011216584_100009813939 [0,2,0,0,0,0|1,0,1]=4 11215 B12R1.8 CCC=NNCc1ccccn1 4a_100000736832_100000210100 [0,2,0,0,0,0|1,0,1]=4 11216 B12R1.8 CCCC=NNc1ccccn1 4a_100000183288_100000185831 [0,2,0,0,0,0|1,0,1]=4 11217 B12R1.8 CCCCC=Cc1ccccc1 271570a_100016275911_100000210277 [0,2,0,0,0,0|2,0,0]=4 11218 B12R1.8 CCCCC=Cc1ccccn1 271570a_100016275911_100011216584 [0,2,0,0,0,0|1,0,0]=3 11219 B12R1.8 CCCCC=Cc1cccnn1 271570a_100016275911_100016991348 [0,2,0,0,0,0|2,0,0]=4 11220 B12R1.8 CCCCC=Cc1ccncn1 271570a_100016275911_100000703185 [0,2,0,0,0,0|2,0,0]=4 11221 B12R1.8 CCCCC=Cc1cnccn1 271570a_100016275911_100000758340 [0,2,0,0,0,0|2,0,0]=4 11222 B12R1.8 CCCCC=Cc1ncccn1 271570a_100016275911_100000211032 [0,2,0,0,0,0|2,0,0]=4 11223 B12R1.8 CCCCCNc1ccccc1 34a_100000106764_100000718602 [0,2,0,0,0,0|2,0,0]=4 11224 B12R1.8 CCCCCNc1cccnn1 27a_100000209983_100016991348 [0,2,0,0,0,0|2,0,0]=4 11225 B12R1.8 CCCCCNc1ccncn1 27a_100000209983_100000703185 [0,2,0,0,0,0|2,0,0]=4 11226 B12R1.8 CCCCCNc1cnccn1 27a_100000209983_100000211759 [0,2,0,0,0,0|2,0,0]=4 11227 B12R1.8 CCCCCNc1ncccn1 27a_100000209983_100000211032 [0,2,0,0,0,0|2,0,0]=4 11228 B12R1.8 CCCCCOc1ccccc1 34a_100000210340_100000718602 [0,2,0,0,0,0|2,0,0]=4 11229 B12R1.8 CCCCCOc1ccccc1 7a_100000210340_100000210326 [0,2,0,0,0,0|2,0,0]=4 11230 B12R1.8 CCCCCSc1ccccc1 62a_100000210326_100000041952 [0,2,0,0,0,0|2,0,0]=4 11231 B12R1.8 CCCCCSc1ccccc1 62a_100000719477_100000210326 [0,2,0,0,0,0|2,0,0]=4 11232 B12R1.8 CCCCCSc1ccccn1 62a_100000210326_100011216584 [0,2,0,0,0,0|1,0,0]=3 11233 B12R1.8 CCCCCSc1ccccn1 62a_100011216584_100000210326 [0,2,0,0,0,0|1,0,0]=3 11234 B12R1.8 CCCCCSc1cccnn1 62a_100000210326_100016991348 [0,2,0,0,0,0|2,0,0]=4 11235 B12R1.8 CCCCCSc1cccnn1 62a_100016991348_100000210326 [0,2,0,0,0,0|2,0,0]=4 11236 B12R1.8 CCCCCSc1ccncn1 62a_100000210326_100000703185 [0,2,0,0,0,0|2,0,0]=4 11237 B12R1.8 CCCCCSc1ccncn1 62a_100000703185_100000210326 [0,2,0,0,0,0|2,0,0]=4 11238 B12R1.8 CCCCCSc1cnccn1 62a_100000210326_100000211759 [0,2,0,0,0,0|2,0,0]=4 11239 B12R1.8 CCCCCSc1cnccn1 62a_100000211759_100000210326 [0,2,0,0,0,0|2,0,0]=4 11240 B12R1.8 CCCCCSc1ncccn1 62a_100000210326_100000211032 [0,2,0,0,0,0|2,0,0]=4 11241 B12R1.8 CCCCCSc1ncccn1 62a_100000211032_100000210326 [0,2,0,0,0,0|2,0,0]=4 11242 B12R1.8 CCCCNCc1ccccc1 207a_100000102301_100015611070 [0,2,0,0,0,0|2,0,0]=4 11243 B12R1.8 CCCCNCc1ccccc1 2230a_100000102301_100015291786 [0,2,0,0,0,0|2,0,0]=4 11244 B12R1.8 CCCCNCc1ccccc1 2230a_100015324214_100000210211 [0,2,0,0,0,0|2,0,0]=4 11245 B12R1.8 CCCCNCc1ccccc1 270004a_100000102301_100015611070 [0,2,0,0,0,0|2,0,0]=4 11246 B12R1.8 CCCCNCc1ccccc1 34a_100015324214_100000210210 [0,2,0,0,0,0|2,0,0]=4 11247 B12R1.8 CCCCNCc1ccccc1 7a_106832991798_100000211182 [0,2,0,0,0,0|2,0,0]=4 11248 B12R1.8 CCCCNCc1ccccn1 207a_100000102301_100000209966 [0,2,0,0,0,0|1,0,0]=3 11249 B12R1.8 CCCCNCc1ccccn1 2230a_100000102301_100000721315 [0,2,0,0,0,0|1,0,0]=3 11250 B12R1.8 CCCCNCc1ccccn1 270004a_100000102301_100000209966 [0,2,0,0,0,0|1,0,0]=3 11251 B12R1.8 CCCCNCc1ccccn1 7a_106832991798_100000721315 [0,2,0,0,0,0|1,0,0]=3 11252 B12R1.8 CCCCNCc1cccnn1 2230a_100000102301_100016990269 [0,2,0,0,0,0|2,0,0]=4 11253 B12R1.8 CCCCNCc1cccnn1 2230a_100159270163_100000210211 [0,2,0,0,0,0|2,0,0]=4 11254 B12R1.8 CCCCNCc1cccnn1 7a_106832991798_100016990269 [0,2,0,0,0,0|2,0,0]=4 11255 B12R1.8 CCCCNCc1cnccn1 2230a_100000102301_100016995436 [0,2,0,0,0,0|2,0,0]=4 11256 B12R1.8 CCCCNCc1cnccn1 270004a_100000102301_100000749867 [0,2,0,0,0,0|2,0,0]=4 11257 B12R1.8 CCCCNCc1cnccn1 7a_106832991798_100016995436 [0,2,0,0,0,0|2,0,0]=4 11258 B12R1.8 CCCCNCc1ncccn1 2230a_100000102301_100000703007 [0,2,0,0,0,0|2,0,0]=4 11259 B12R1.8 CCCCNCc1ncccn1 270004a_100000102301_100011532527 [0,2,0,0,0,0|2,0,0]=4 11260 B12R1.8 CCCCNCc1ncccn1 7a_106832991798_100000703007 [0,2,0,0,0,0|2,0,0]=4 11261 B12R1.8 CCCCOCc1ccccc1 34a_100000210227_100015291786 [0,2,0,0,0,0|2,0,0]=4 11262 B12R1.8 CCCCOCc1ccccc1 34a_100000210790_100000210210 [0,2,0,0,0,0|2,0,0]=4 11263 B12R1.8 CCCCOCc1ccccc1 7a_100000210227_100000211182 [0,2,0,0,0,0|2,0,0]=4 11264 B12R1.8 CCCCOCc1ccccc1 7a_100000210790_100000210211 [0,2,0,0,0,0|2,0,0]=4 11265 B12R1.8 CCCCOCc1ccccn1 34a_100000210227_100000721315 [0,2,0,0,0,0|1,0,0]=3 11266 B12R1.8 CCCCOCc1ccccn1 7a_100000210227_100000721315 [0,2,0,0,0,0|1,0,0]=3 11267 B12R1.8 CCCCOCc1cccnn1 34a_100000210227_100016990269 [0,2,0,0,0,0|2,0,0]=4 11268 B12R1.8 CCCCOCc1cccnn1 7a_100000210227_100016990269 [0,2,0,0,0,0|2,0,0]=4 11269 B12R1.8 CCCCOCc1cnccn1 34a_100000210227_100016995436 [0,2,0,0,0,0|2,0,0]=4 11270 B12R1.8 CCCCOCc1cnccn1 7a_100000210227_100016995436 [0,2,0,0,0,0|2,0,0]=4 11271 B12R1.8 CCCCOCc1ncccn1 34a_100000210227_100000703007 [0,2,0,0,0,0|2,0,0]=4 11272 B12R1.8 CCCCOCc1ncccn1 7a_100000210227_100000703007 [0,2,0,0,0,0|2,0,0]=4 11273 B12R1.8 CCCCSCc1ccccc1 62a_100000210211_100015291786 [0,2,0,0,0,0|2,0,0]=4 11274 B12R1.8 CCCCSCc1ccccc1 62a_100000211182_100000210210 [0,2,0,0,0,0|2,0,0]=4 11275 B12R1.8 CCCCSCc1ccccn1 62a_100000210211_100000721315 [0,2,0,0,0,0|1,0,0]=3 11276 B12R1.8 CCCCSCc1ccccn1 62a_100000721315_100000210210 [0,2,0,0,0,0|1,0,0]=3 11277 B12R1.8 CCCCSCc1cccnn1 62a_100000210211_100016990269 [0,2,0,0,0,0|2,0,0]=4 11278 B12R1.8 CCCCSCc1cccnn1 62a_100016990269_100000210210 [0,2,0,0,0,0|2,0,0]=4 11279 B12R1.8 CCCCSCc1cnccn1 62a_100000210211_100016995436 [0,2,0,0,0,0|2,0,0]=4 11280 B12R1.8 CCCCSCc1cnccn1 62a_100016995436_100000210210 [0,2,0,0,0,0|2,0,0]=4 11281 B12R1.8 CCCCSCc1ncccn1 62a_100000210211_100000703007 [0,2,0,0,0,0|2,0,0]=4 11282 B12R1.8 CCCCSCc1ncccn1 62a_100000703007_100000210210 [0,2,0,0,0,0|2,0,0]=4 11283 B12R1.8 CCCNCCc1ccccc1 2230a_100000106460_100000210303 [0,2,0,0,0,0|1,0,0]=3 11284 B12R1.8 CCCNCCc1ccccc1 34a_100000106460_100000210303 [0,2,0,0,0,0|1,0,0]=3 11285 B12R1.8 CCCNCCc1cccnc1 2230a_100000736294_100000210303 [0,2,0,0,0,0|2,0,0]=4 11286 B12R1.8 CCCNN=Cc1ccccn1 4a_100000740057_100000209966 [0,2,0,0,0,0|1,0,1]=4 11287 B12R1.8 CCCOCCc1ccccc1 34a_100000210258_100000765856 [0,2,0,0,0,0|2,0,0]=4 11288 B12R1.8 CCCOCCc1ccccc1 34a_100000210268_100000210303 [0,2,0,0,0,0|2,0,0]=4 11289 B12R1.8 CCCOCCc1ccccc1 7a_100000210268_100000210303 [0,2,0,0,0,0|2,0,0]=4 11290 B12R1.8 CCCOCCc1ccccn1 34a_100000210271_100000210303 [0,2,0,0,0,0|1,0,0]=3 11291 B12R1.8 CCCOCCc1cnccn1 34a_100011349526_100000210303 [0,2,0,0,0,0|2,0,0]=4 11292 B12R1.8 CCCSCCc1ccccc1 62a_100000210303_100011218657 [0,2,0,0,0,0|2,0,0]=4 11293 B12R1.8 CCCSCCc1ccccc1 62a_100000765856_100000210303 [0,2,0,0,0,0|2,0,0]=4 11294 B12R1.8 CCCSCCc1ccccn1 62a_100000210303_100015183660 [0,2,0,0,0,0|1,0,0]=3 11295 B12R1.8 CCCSCCc1ccccn1 62a_100015183660_100000210303 [0,2,0,0,0,0|1,0,0]=3 11296 B12R1.8 CCCSCSc1ccccc1 62a_100000210303_100011218342 [0,2,0,0,0,0|2,0,0]=4 11297 B12R1.8 CCCSCSc1ccccc1 62a_100011218342_100000210303 [0,2,0,0,0,0|2,0,0]=4 11298 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100015525214_100016265936 [0,2,0,0,0,0|1,0,1]=4 11299 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100020603302_100000210202 [0,2,0,0,0,0|1,0,1]=4 11300 B12R1.8 CCNC/C=C/c1ccccc1 34a_100020603302_100000210202 [0,2,0,0,0,0|1,0,1]=4 11301 B12R1.8 CCNCC#Cc1ccccc1 2230a_100015525214_100011352542 [0,2,0,0,0,0|1,0,1]=4 11302 B12R1.8 CCNCC#Cc1ccccc1 34a_100000735379_100000210202 [0,2,0,0,0,0|1,0,1]=4 11303 B12R1.8 CCNCC=Cc1ccccc1 270004a_100015525214_100000210105 [0,2,0,0,0,0|1,0,1]=4 11304 B12R1.8 CCNCCCc1ccccc1 2230a_100000211184_100000210202 [0,2,0,0,0,0|1,0,0]=3 11305 B12R1.8 CCNCCCc1ccccc1 2230a_100015525214_100000211621 [0,2,0,0,0,0|1,0,0]=3 11306 B12R1.8 CCNCCCc1ccccc1 34a_100000211184_100000210202 [0,2,0,0,0,0|1,0,0]=3 11307 B12R1.8 CCNCCCc1cccnc1 2230a_100011532358_100000210202 [0,2,0,0,0,0|2,0,0]=4 11308 B12R1.8 CCNCCCc1cccnc1 34a_100011532358_100000210202 [0,2,0,0,0,0|2,0,0]=4 11309 B12R1.8 CCNCCCc1ccncc1 2230a_100011275580_100000210202 [0,2,0,0,0,0|2,0,0]=4 11310 B12R1.8 CCNCCOc1ccccc1 2230a_100000174943_100000210202 [0,2,0,0,0,0|1,0,0]=3 11311 B12R1.8 CCNCCOc1ccccc1 2230a_100015525214_100000184471 [0,2,0,0,0,0|1,0,0]=3 11312 B12R1.8 CCNCCOc1ccccc1 270004a_100015525214_100000758736 [0,2,0,0,0,0|1,0,0]=3 11313 B12R1.8 CCNCCOc1ccccc1 34a_100000174943_100000210202 [0,2,0,0,0,0|1,0,0]=3 11314 B12R1.8 CCNCCOc1ccccn1 2230a_106741647558_100000210202 [0,2,0,0,0,0|0,0,0]=2 11315 B12R1.8 CCNCCOc1cccnc1 2230a_100000754688_100000210202 [0,2,0,0,0,0|2,0,0]=4 11316 B12R1.8 CCNCCSc1ccccc1 2230a_100000189519_100000210202 [0,2,0,0,0,0|1,0,0]=3 11317 B12R1.8 CCNCCSc1ccccc1 2230a_100015525214_100000246102 [0,2,0,0,0,0|1,0,0]=3 11318 B12R1.8 CCNCOCc1ccccc1 2230a_100015525214_100000763385 [0,2,0,0,0,0|1,0,0]=3 11319 B12R1.8 CCNCSCc1ccccc1 2230a_100015525214_200011217039 [0,2,0,0,0,0|1,0,0]=3 11320 B12R1.8 CCNN=CCc1ccccc1 4a_100000756455_100000209964 [0,2,0,0,0,0|1,0,1]=4 11321 B12R1.8 CCOCC#Cc1ccccn1 34a_100011894333_100000210202 [0,2,0,0,0,0|1,0,1]=4 11322 B12R1.8 CCOCCCc1ccccc1 34a_100000210828_100000210202 [0,2,0,0,0,0|2,0,0]=4 11323 B12R1.8 CCOCCCc1ccccc1 34a_100121572206_100000211621 [0,2,0,0,0,0|2,0,0]=4 11324 B12R1.8 CCOCCCc1ccccc1 7a_100000210828_100000210202 [0,2,0,0,0,0|2,0,0]=4 11325 B12R1.8 CCOCCCc1ccccn1 34a_100011215068_100000210202 [0,2,0,0,0,0|1,0,0]=3 11326 B12R1.8 CCOCCNc1ccccc1 34a_100000106764_100000210147 [0,2,0,0,0,0|2,0,0]=4 11327 B12R1.8 CCOCCNc1ccccc1 34a_100000211345_100000210202 [0,2,0,0,0,0|2,0,0]=4 11328 B12R1.8 CCOCCNc1cccnn1 27a_100011200944_100016991348 [0,2,0,0,0,0|2,0,0]=4 11329 B12R1.8 CCOCCNc1ccncn1 27a_100011200944_100000703185 [0,2,0,0,0,0|2,0,0]=4 11330 B12R1.8 CCOCCNc1cnccn1 27a_100011200944_100000211759 [0,2,0,0,0,0|2,0,0]=4 11331 B12R1.8 CCOCCNc1ncccn1 27a_100011200944_100000211032 [0,2,0,0,0,0|2,0,0]=4 11332 B12R1.8 CCOCCOc1ccccc1 34a_100000210260_100000210202 [0,2,0,0,0,0|2,0,0]=4 11333 B12R1.8 CCOCCOc1ccccc1 34a_100000210340_100000210147 [0,2,0,0,0,0|2,0,0]=4 11334 B12R1.8 CCOCCOc1ccccc1 34a_100121572206_100000184471 [0,2,0,0,0,0|2,0,0]=4 11335 B12R1.8 CCOCCOc1ccccc1 7a_100000210260_100000210202 [0,2,0,0,0,0|2,0,0]=4 11336 B12R1.8 CCOCCOc1ccccc1 7a_100000210340_100011215890 [0,2,0,0,0,0|2,0,0]=4 11337 B12R1.8 CCOCCSc1ccccc1 34a_100121572206_100000246102 [0,2,0,0,0,0|2,0,0]=4 11338 B12R1.8 CCOCCSc1ccccc1 62a_100000210147_100000041952 [0,2,0,0,0,0|2,0,0]=4 11339 B12R1.8 CCOCCSc1ccccc1 62a_100000719477_100011215890 [0,2,0,0,0,0|2,0,0]=4 11340 B12R1.8 CCOCCSc1ccccc1 7a_100000230494_100000210202 [0,2,0,0,0,0|2,0,0]=4 11341 B12R1.8 CCOCCSc1ccccn1 62a_100000210147_100011216584 [0,2,0,0,0,0|1,0,0]=3 11342 B12R1.8 CCOCCSc1ccccn1 62a_100011216584_100011215890 [0,2,0,0,0,0|1,0,0]=3 11343 B12R1.8 CCOCCSc1ccccn1 7a_100000156319_100000210202 [0,2,0,0,0,0|1,0,0]=3 11344 B12R1.8 CCOCCSc1cccnn1 62a_100000210147_100016991348 [0,2,0,0,0,0|2,0,0]=4 11345 B12R1.8 CCOCCSc1cccnn1 62a_100016991348_100011215890 [0,2,0,0,0,0|2,0,0]=4 11346 B12R1.8 CCOCCSc1ccncn1 62a_100000210147_100000703185 [0,2,0,0,0,0|2,0,0]=4 11347 B12R1.8 CCOCCSc1ccncn1 62a_100000703185_100011215890 [0,2,0,0,0,0|2,0,0]=4 11348 B12R1.8 CCOCCSc1cnccn1 62a_100000210147_100000211759 [0,2,0,0,0,0|2,0,0]=4 11349 B12R1.8 CCOCCSc1cnccn1 62a_100000211759_100011215890 [0,2,0,0,0,0|2,0,0]=4 11350 B12R1.8 CCOCCSc1ncccn1 62a_100000210147_100000211032 [0,2,0,0,0,0|2,0,0]=4 11351 B12R1.8 CCOCCSc1ncccn1 62a_100000211032_100011215890 [0,2,0,0,0,0|2,0,0]=4 11352 B12R1.8 CCOCOCc1ccccc1 34a_100121572206_100000763385 [0,2,0,0,0,0|2,0,0]=4 11353 B12R1.8 CCOCSCc1ccccc1 34a_100121572206_200011217039 [0,2,0,0,0,0|2,0,0]=4 11354 B12R1.8 CCOCSCc1ccccc1 62a_100000211182_100000739092 [0,2,0,0,0,0|2,0,0]=4 11355 B12R1.8 CCOCSCc1ccccc1 62a_100000739092_100015291786 [0,2,0,0,0,0|2,0,0]=4 11356 B12R1.8 CCOCSCc1ccccn1 62a_100000721315_100000739092 [0,2,0,0,0,0|1,0,0]=3 11357 B12R1.8 CCOCSCc1ccccn1 62a_100000739092_100000721315 [0,2,0,0,0,0|1,0,0]=3 11358 B12R1.8 CCOCSCc1cccnn1 62a_100000739092_100016990269 [0,2,0,0,0,0|2,0,0]=4 11359 B12R1.8 CCOCSCc1cccnn1 62a_100016990269_100000739092 [0,2,0,0,0,0|2,0,0]=4 11360 B12R1.8 CCOCSCc1cnccn1 62a_100000739092_100016995436 [0,2,0,0,0,0|2,0,0]=4 11361 B12R1.8 CCOCSCc1cnccn1 62a_100016995436_100000739092 [0,2,0,0,0,0|2,0,0]=4 11362 B12R1.8 CCOCSCc1ncccn1 62a_100000703007_100000739092 [0,2,0,0,0,0|2,0,0]=4 11363 B12R1.8 CCOCSCc1ncccn1 62a_100000739092_100000703007 [0,2,0,0,0,0|2,0,0]=4 11364 B12R1.8 CCSCCCc1ccccc1 62a_100000210202_100000211621 [0,2,0,0,0,0|2,0,0]=4 11365 B12R1.8 CCSCCCc1ccccc1 62a_100000211621_100000210202 [0,2,0,0,0,0|2,0,0]=4 11366 B12R1.8 CCSCCNc1ccccc1 34a_100000106764_100000757381 [0,2,0,0,0,0|2,0,0]=4 11367 B12R1.8 CCSCCNc1cccnn1 27a_100000106463_100016991348 [0,2,0,0,0,0|2,0,0]=4 11368 B12R1.8 CCSCCNc1ccncn1 27a_100000106463_100000703185 [0,2,0,0,0,0|2,0,0]=4 11369 B12R1.8 CCSCCNc1cnccn1 27a_100000106463_100000211759 [0,2,0,0,0,0|2,0,0]=4 11370 B12R1.8 CCSCCNc1ncccn1 27a_100000106463_100000211032 [0,2,0,0,0,0|2,0,0]=4 11371 B12R1.8 CCSCCOc1ccccc1 34a_100000210340_100000757381 [0,2,0,0,0,0|2,0,0]=4 11372 B12R1.8 CCSCCOc1ccccc1 62a_100000184471_100000210202 [0,2,0,0,0,0|2,0,0]=4 11373 B12R1.8 CCSCCOc1ccccc1 62a_100000210202_100000184471 [0,2,0,0,0,0|2,0,0]=4 11374 B12R1.8 CCSCCOc1ccccc1 7a_100000210340_100000757381 [0,2,0,0,0,0|2,0,0]=4 11375 B12R1.8 CCSCCSc1ccccc1 62a_100000210202_100000246102 [0,2,0,0,0,0|2,0,0]=4 11376 B12R1.8 CCSCCSc1ccccc1 62a_100000246102_100000210202 [0,2,0,0,0,0|2,0,0]=4 11377 B12R1.8 CCSCCSc1ccccc1 62a_100000719477_100000757381 [0,2,0,0,0,0|2,0,0]=4 11378 B12R1.8 CCSCCSc1ccccc1 62a_100000757381_100000041952 [0,2,0,0,0,0|2,0,0]=4 11379 B12R1.8 CCSCCSc1ccccn1 62a_100000757381_100011216584 [0,2,0,0,0,0|1,0,0]=3 11380 B12R1.8 CCSCCSc1ccccn1 62a_100011216584_100000757381 [0,2,0,0,0,0|1,0,0]=3 11381 B12R1.8 CCSCCSc1cccnn1 62a_100000757381_100016991348 [0,2,0,0,0,0|2,0,0]=4 11382 B12R1.8 CCSCCSc1cccnn1 62a_100016991348_100000757381 [0,2,0,0,0,0|2,0,0]=4 11383 B12R1.8 CCSCCSc1ccncn1 62a_100000703185_100000757381 [0,2,0,0,0,0|2,0,0]=4 11384 B12R1.8 CCSCCSc1ccncn1 62a_100000757381_100000703185 [0,2,0,0,0,0|2,0,0]=4 11385 B12R1.8 CCSCCSc1cnccn1 62a_100000211759_100000757381 [0,2,0,0,0,0|2,0,0]=4 11386 B12R1.8 CCSCCSc1cnccn1 62a_100000757381_100000211759 [0,2,0,0,0,0|2,0,0]=4 11387 B12R1.8 CCSCCSc1ncccn1 62a_100000211032_100000757381 [0,2,0,0,0,0|2,0,0]=4 11388 B12R1.8 CCSCCSc1ncccn1 62a_100000757381_100000211032 [0,2,0,0,0,0|2,0,0]=4 11389 B12R1.8 CCSCOCc1ccccc1 62a_100000210202_100000763385 [0,2,0,0,0,0|2,0,0]=4 11390 B12R1.8 CCSCOCc1ccccc1 62a_100000763385_100000210202 [0,2,0,0,0,0|2,0,0]=4 11391 B12R1.8 CCSCSCc1ccccc1 62a_100000210202_200011217039 [0,2,0,0,0,0|2,0,0]=4 11392 B12R1.8 CCSCSCc1ccccc1 62a_200011217039_100000210202 [0,2,0,0,0,0|2,0,0]=4 11393 B12R1.8 CNCCCCc1ccccc1 2230a_100015280158_200000210301 [0,2,0,0,0,0|1,0,0]=3 11394 B12R1.8 CNCCCCc1ccccc1 2230a_106832991635_100000701786 [0,2,0,0,0,0|1,0,0]=3 11395 B12R1.8 CNCCCCc1ccccc1 34a_100015280158_200000210301 [0,2,0,0,0,0|1,0,0]=3 11396 B12R1.8 CNCCCCc1ccccc1 34a_100102657272_100000701786 [0,2,0,0,0,0|1,0,0]=3 11397 B12R1.8 CNCCCCc1ccccc1 7a_106832991635_100000701786 [0,2,0,0,0,0|1,0,0]=3 11398 B12R1.8 CNCCCCc1ccncc1 2230a_106832991635_100020630000 [0,2,0,0,0,0|2,0,0]=4 11399 B12R1.8 CNCCCCc1ccncc1 7a_106832991635_100020630000 [0,2,0,0,0,0|2,0,0]=4 11400 B12R1.8 CNCCCOc1ccccc1 2230a_100000216521_200000210301 [0,2,0,0,0,0|1,0,0]=3 11401 B12R1.8 CNCCCOc1ccccc1 2230a_106832991635_100000199009 [0,2,0,0,0,0|1,0,0]=3 11402 B12R1.8 CNCCCOc1ccccc1 34a_100000216521_200000210301 [0,2,0,0,0,0|1,0,0]=3 11403 B12R1.8 CNCCCOc1ccccc1 34a_100102657272_100000199009 [0,2,0,0,0,0|1,0,0]=3 11404 B12R1.8 CNCCCOc1ccccc1 7a_106832991635_100000199009 [0,2,0,0,0,0|1,0,0]=3 11405 B12R1.8 CNCCCSc1ccccc1 2230a_100000184639_200000210301 [0,2,0,0,0,0|1,0,0]=3 11406 B12R1.8 CNCCCSc1ccccc1 2230a_106832991635_200011203293 [0,2,0,0,0,0|1,0,0]=3 11407 B12R1.8 CNCCCSc1ccccc1 34a_100102657272_200011203293 [0,2,0,0,0,0|1,0,0]=3 11408 B12R1.8 CNCCCSc1ccccc1 7a_106832991635_200011203293 [0,2,0,0,0,0|1,0,0]=3 11409 B12R1.8 CNCCOCc1ccccc1 2230a_100000753106_200000210301 [0,2,0,0,0,0|1,0,0]=3 11410 B12R1.8 CNCCOCc1ccccc1 2230a_106832991635_100000234347 [0,2,0,0,0,0|1,0,0]=3 11411 B12R1.8 CNCCOCc1ccccc1 34a_100000753106_200000210301 [0,2,0,0,0,0|1,0,0]=3 11412 B12R1.8 CNCCOCc1ccccc1 34a_100102657272_100000234347 [0,2,0,0,0,0|1,0,0]=3 11413 B12R1.8 CNCCOCc1ccccc1 7a_106832991635_100000234347 [0,2,0,0,0,0|1,0,0]=3 11414 B12R1.8 CNCCSCc1ccccc1 2230a_100000189534_200000210301 [0,2,0,0,0,0|1,0,0]=3 11415 B12R1.8 CNCCSCc1ccccc1 2230a_106832991635_200011297719 [0,2,0,0,0,0|1,0,0]=3 11416 B12R1.8 CNCCSCc1ccccc1 34a_100000189534_200000210301 [0,2,0,0,0,0|1,0,0]=3 11417 B12R1.8 CNCCSCc1ccccc1 34a_100102657272_200011297719 [0,2,0,0,0,0|1,0,0]=3 11418 B12R1.8 CNCCSCc1ccccc1 7a_100000189534_200000210301 [0,2,0,0,0,0|1,0,0]=3 11419 B12R1.8 CNCCSSc1ccccn1 2230a_100016995281_200000210301 [0,2,0,0,0,0|0,0,0]=2 11420 B12R1.8 CNCCSSc1ccccn1 7a_100016995281_200000210301 [0,2,0,0,0,0|0,0,0]=2 11421 B12R1.8 COCCC#Cc1ccccc1 34a_100000760064_200000210301 [0,2,0,0,0,0|2,0,0]=4 11422 B12R1.8 COCCC#Cc1ccccc1 7a_100000760064_200000210301 [0,2,0,0,0,0|2,0,0]=4 11423 B12R1.8 COCCC#Cc1ccccn1 34a_200011894334_200000210301 [0,2,0,0,0,0|1,0,0]=3 11424 B12R1.8 COCCCCc1ccccc1 34a_100000703073_200000210301 [0,2,0,0,0,0|2,0,0]=4 11425 B12R1.8 COCCCCc1ccccc1 34a_100138415774_100000701786 [0,2,0,0,0,0|2,0,0]=4 11426 B12R1.8 COCCCCc1ccccc1 7a_100000703073_200000210301 [0,2,0,0,0,0|2,0,0]=4 11427 B12R1.8 COCCCCc1ccccn1 34a_100012186994_200000210301 [0,2,0,0,0,0|1,0,0]=3 11428 B12R1.8 COCCCNc1ccccc1 34a_100000106764_100000740836 [0,2,0,0,0,0|2,0,0]=4 11429 B12R1.8 COCCCNc1ccccc1 34a_100000212590_200000210301 [0,2,0,0,0,0|2,0,0]=4 11430 B12R1.8 COCCCNc1cccnn1 27a_100150723488_100016991348 [0,2,0,0,0,0|2,0,0]=4 11431 B12R1.8 COCCCNc1ccncn1 27a_100150723488_100000703185 [0,2,0,0,0,0|2,0,0]=4 11432 B12R1.8 COCCCNc1cnccn1 27a_100150723488_100000211759 [0,2,0,0,0,0|2,0,0]=4 11433 B12R1.8 COCCCNc1ncccn1 27a_100150723488_100000211032 [0,2,0,0,0,0|2,0,0]=4 11434 B12R1.8 COCCCOc1ccccc1 34a_100000210340_100000740836 [0,2,0,0,0,0|2,0,0]=4 11435 B12R1.8 COCCCOc1ccccc1 34a_100011215863_200000210301 [0,2,0,0,0,0|2,0,0]=4 11436 B12R1.8 COCCCOc1ccccc1 34a_100138415774_100000199009 [0,2,0,0,0,0|2,0,0]=4 11437 B12R1.8 COCCCOc1ccccc1 7a_100000210340_100000740836 [0,2,0,0,0,0|2,0,0]=4 11438 B12R1.8 COCCCOc1ccccc1 7a_100011215863_200000210301 [0,2,0,0,0,0|2,0,0]=4 11439 B12R1.8 COCCCSc1ccccc1 34a_100138415774_200011203293 [0,2,0,0,0,0|2,0,0]=4 11440 B12R1.8 COCCCSc1ccccc1 62a_100000709357_100000041952 [0,2,0,0,0,0|2,0,0]=4 11441 B12R1.8 COCCCSc1ccccc1 62a_100000719477_100000709357 [0,2,0,0,0,0|2,0,0]=4 11442 B12R1.8 COCCCSc1ccccn1 62a_100000709357_100011216584 [0,2,0,0,0,0|1,0,0]=3 11443 B12R1.8 COCCCSc1ccccn1 62a_100011216584_100000709357 [0,2,0,0,0,0|1,0,0]=3 11444 B12R1.8 COCCCSc1cccnn1 62a_100000709357_100016991348 [0,2,0,0,0,0|2,0,0]=4 11445 B12R1.8 COCCCSc1cccnn1 62a_100016991348_100000709357 [0,2,0,0,0,0|2,0,0]=4 11446 B12R1.8 COCCCSc1ccncn1 62a_100000703185_100000709357 [0,2,0,0,0,0|2,0,0]=4 11447 B12R1.8 COCCCSc1ccncn1 62a_100000709357_100000703185 [0,2,0,0,0,0|2,0,0]=4 11448 B12R1.8 COCCCSc1cnccn1 62a_100000211759_100000709357 [0,2,0,0,0,0|2,0,0]=4 11449 B12R1.8 COCCCSc1cnccn1 62a_100000709357_100000211759 [0,2,0,0,0,0|2,0,0]=4 11450 B12R1.8 COCCCSc1ncccn1 62a_100000211032_100000709357 [0,2,0,0,0,0|2,0,0]=4 11451 B12R1.8 COCCCSc1ncccn1 62a_100000709357_100000211032 [0,2,0,0,0,0|2,0,0]=4 11452 B12R1.8 COCCNCc1ccccc1 207a_100000209980_100015611070 [0,2,0,0,0,0|2,0,0]=4 11453 B12R1.8 COCCNCc1ccccc1 2230a_100000209980_100015291786 [0,2,0,0,0,0|2,0,0]=4 11454 B12R1.8 COCCNCc1ccccc1 2230a_100015324214_100011201679 [0,2,0,0,0,0|2,0,0]=4 11455 B12R1.8 COCCNCc1ccccc1 270004a_100000209980_100015611070 [0,2,0,0,0,0|2,0,0]=4 11456 B12R1.8 COCCNCc1ccccc1 34a_100000180844_200000210301 [0,2,0,0,0,0|2,0,0]=4 11457 B12R1.8 COCCNCc1ccccc1 34a_100015324214_100011201679 [0,2,0,0,0,0|2,0,0]=4 11458 B12R1.8 COCCNCc1ccccn1 207a_100000209980_100000209966 [0,2,0,0,0,0|1,0,0]=3 11459 B12R1.8 COCCNCc1ccccn1 2230a_100000209980_100000721315 [0,2,0,0,0,0|1,0,0]=3 11460 B12R1.8 COCCNCc1ccccn1 270004a_100000209980_100000209966 [0,2,0,0,0,0|1,0,0]=3 11461 B12R1.8 COCCNCc1cccnn1 2230a_100000209980_100016990269 [0,2,0,0,0,0|2,0,0]=4 11462 B12R1.8 COCCNCc1cccnn1 2230a_100159270163_100011201679 [0,2,0,0,0,0|2,0,0]=4 11463 B12R1.8 COCCNCc1cnccn1 2230a_100000209980_100016995436 [0,2,0,0,0,0|2,0,0]=4 11464 B12R1.8 COCCNCc1cnccn1 270004a_100000209980_100000749867 [0,2,0,0,0,0|2,0,0]=4 11465 B12R1.8 COCCNCc1ncccn1 2230a_100000209980_100000703007 [0,2,0,0,0,0|2,0,0]=4 11466 B12R1.8 COCCNCc1ncccn1 270004a_100000209980_100011532527 [0,2,0,0,0,0|2,0,0]=4 11467 B12R1.8 COCCOCc1ccccc1 34a_100000210237_100015291786 [0,2,0,0,0,0|2,0,0]=4 11468 B12R1.8 COCCOCc1ccccc1 34a_100000210790_100011201679 [0,2,0,0,0,0|2,0,0]=4 11469 B12R1.8 COCCOCc1ccccc1 34a_100000759325_200000210301 [0,2,0,0,0,0|2,0,0]=4 11470 B12R1.8 COCCOCc1ccccc1 34a_100138415774_100000234347 [0,2,0,0,0,0|2,0,0]=4 11471 B12R1.8 COCCOCc1ccccc1 7a_100000210790_100000233755 [0,2,0,0,0,0|2,0,0]=4 11472 B12R1.8 COCCOCc1ccccc1 7a_100000759325_200000210301 [0,2,0,0,0,0|2,0,0]=4 11473 B12R1.8 COCCOCc1ccccn1 34a_100000210237_100000721315 [0,2,0,0,0,0|1,0,0]=3 11474 B12R1.8 COCCOCc1cccnn1 34a_100000210237_100016990269 [0,2,0,0,0,0|2,0,0]=4 11475 B12R1.8 COCCOCc1cnccn1 34a_100000210237_100016995436 [0,2,0,0,0,0|2,0,0]=4 11476 B12R1.8 COCCOCc1ncccn1 34a_100000210237_100000703007 [0,2,0,0,0,0|2,0,0]=4 11477 B12R1.8 COCCSCc1ccccc1 34a_100011205989_200000210301 [0,2,0,0,0,0|2,0,0]=4 11478 B12R1.8 COCCSCc1ccccc1 34a_100138415774_200011297719 [0,2,0,0,0,0|2,0,0]=4 11479 B12R1.8 COCCSCc1ccccc1 62a_100000211182_100000233755 [0,2,0,0,0,0|2,0,0]=4 11480 B12R1.8 COCCSCc1ccccc1 62a_100000233755_100015291786 [0,2,0,0,0,0|2,0,0]=4 11481 B12R1.8 COCCSCc1ccccc1 7a_100011205989_200000210301 [0,2,0,0,0,0|2,0,0]=4 11482 B12R1.8 COCCSCc1ccccn1 62a_100000233755_100000721315 [0,2,0,0,0,0|1,0,0]=3 11483 B12R1.8 COCCSCc1ccccn1 62a_100000721315_100000233755 [0,2,0,0,0,0|1,0,0]=3 11484 B12R1.8 COCCSCc1cccnn1 62a_100000233755_100016990269 [0,2,0,0,0,0|2,0,0]=4 11485 B12R1.8 COCCSCc1cccnn1 62a_100016990269_100000233755 [0,2,0,0,0,0|2,0,0]=4 11486 B12R1.8 COCCSCc1cnccn1 62a_100000233755_100016995436 [0,2,0,0,0,0|2,0,0]=4 11487 B12R1.8 COCCSCc1cnccn1 62a_100016995436_100000233755 [0,2,0,0,0,0|2,0,0]=4 11488 B12R1.8 COCCSCc1ncccn1 62a_100000233755_100000703007 [0,2,0,0,0,0|2,0,0]=4 11489 B12R1.8 COCCSCc1ncccn1 62a_100000703007_100000233755 [0,2,0,0,0,0|2,0,0]=4 11490 B12R1.8 COCCSSc1ccccn1 7a_100009993218_200000210301 [0,2,0,0,0,0|1,0,0]=3 11491 B12R1.8 COCNCCc1ccccc1 2230a_100000106460_100000766300 [0,2,0,0,0,0|1,0,0]=3 11492 B12R1.8 COCNCCc1cccnc1 2230a_100000736294_100000766300 [0,2,0,0,0,0|2,0,0]=4 11493 B12R1.8 COCSCCc1ccccc1 62a_100000765856_100000766300 [0,2,0,0,0,0|2,0,0]=4 11494 B12R1.8 COCSCCc1ccccc1 62a_100000766300_100011218657 [0,2,0,0,0,0|2,0,0]=4 11495 B12R1.8 COCSCCc1ccccn1 62a_100000766300_100015183660 [0,2,0,0,0,0|1,0,0]=3 11496 B12R1.8 COCSCCc1ccccn1 62a_100015183660_100000766300 [0,2,0,0,0,0|1,0,0]=3 11497 B12R1.8 COCSCSc1ccccc1 62a_100000766300_100011218342 [0,2,0,0,0,0|2,0,0]=4 11498 B12R1.8 COCSCSc1ccccc1 62a_100011218342_100000766300 [0,2,0,0,0,0|2,0,0]=4 11499 B12R1.8 CSCCCCc1ccccc1 62a_100000701786_200000210301 [0,2,0,0,0,0|2,0,0]=4 11500 B12R1.8 CSCCCCc1ccccc1 62a_200000210301_100000701786 [0,2,0,0,0,0|2,0,0]=4 11501 B12R1.8 CSCCCNc1cccnn1 27a_100000749238_100016991348 [0,2,0,0,0,0|2,0,0]=4 11502 B12R1.8 CSCCCNc1ccncn1 27a_100000749238_100000703185 [0,2,0,0,0,0|2,0,0]=4 11503 B12R1.8 CSCCCNc1cnccn1 27a_100000749238_100000211759 [0,2,0,0,0,0|2,0,0]=4 11504 B12R1.8 CSCCCNc1ncccn1 27a_100000749238_100000211032 [0,2,0,0,0,0|2,0,0]=4 11505 B12R1.8 CSCCCOc1ccccc1 62a_100000199009_200000210301 [0,2,0,0,0,0|2,0,0]=4 11506 B12R1.8 CSCCCOc1ccccc1 62a_200000210301_100000199009 [0,2,0,0,0,0|2,0,0]=4 11507 B12R1.8 CSCCCSc1ccccc1 62a_200000210301_200011203293 [0,2,0,0,0,0|2,0,0]=4 11508 B12R1.8 CSCCCSc1ccccc1 62a_200011203293_200000210301 [0,2,0,0,0,0|2,0,0]=4 11509 B12R1.8 CSCCNCc1ccccc1 207a_100020590264_100015611070 [0,2,0,0,0,0|2,0,0]=4 11510 B12R1.8 CSCCNCc1ccccc1 2230a_100015324214_100000751147 [0,2,0,0,0,0|2,0,0]=4 11511 B12R1.8 CSCCNCc1ccccc1 2230a_100020590264_100015291786 [0,2,0,0,0,0|2,0,0]=4 11512 B12R1.8 CSCCNCc1ccccc1 270004a_100020590264_100015611070 [0,2,0,0,0,0|2,0,0]=4 11513 B12R1.8 CSCCNCc1ccccc1 34a_100015324214_100000212216 [0,2,0,0,0,0|2,0,0]=4 11514 B12R1.8 CSCCNCc1ccccn1 207a_100020590264_100000209966 [0,2,0,0,0,0|1,0,0]=3 11515 B12R1.8 CSCCNCc1ccccn1 2230a_100020590264_100000721315 [0,2,0,0,0,0|1,0,0]=3 11516 B12R1.8 CSCCNCc1ccccn1 270004a_100020590264_100000209966 [0,2,0,0,0,0|1,0,0]=3 11517 B12R1.8 CSCCNCc1cccnn1 2230a_100020590264_100016990269 [0,2,0,0,0,0|2,0,0]=4 11518 B12R1.8 CSCCNCc1cccnn1 2230a_100159270163_100000751147 [0,2,0,0,0,0|2,0,0]=4 11519 B12R1.8 CSCCNCc1cnccn1 2230a_100020590264_100016995436 [0,2,0,0,0,0|2,0,0]=4 11520 B12R1.8 CSCCNCc1cnccn1 270004a_100020590264_100000749867 [0,2,0,0,0,0|2,0,0]=4 11521 B12R1.8 CSCCNCc1ncccn1 2230a_100020590264_100000703007 [0,2,0,0,0,0|2,0,0]=4 11522 B12R1.8 CSCCNCc1ncccn1 270004a_100020590264_100011532527 [0,2,0,0,0,0|2,0,0]=4 11523 B12R1.8 CSCCOCc1ccccc1 34a_100000210790_100000212216 [0,2,0,0,0,0|2,0,0]=4 11524 B12R1.8 CSCCOCc1ccccc1 34a_100000230434_100015291786 [0,2,0,0,0,0|2,0,0]=4 11525 B12R1.8 CSCCOCc1ccccc1 62a_100000234347_200000210301 [0,2,0,0,0,0|2,0,0]=4 11526 B12R1.8 CSCCOCc1ccccc1 62a_200000210301_100000234347 [0,2,0,0,0,0|2,0,0]=4 11527 B12R1.8 CSCCOCc1ccccc1 7a_100000210790_100000212216 [0,2,0,0,0,0|2,0,0]=4 11528 B12R1.8 CSCCOCc1ccccc1 7a_100000230434_100000211182 [0,2,0,0,0,0|2,0,0]=4 11529 B12R1.8 CSCCOCc1ccccn1 34a_100000230434_100000721315 [0,2,0,0,0,0|1,0,0]=3 11530 B12R1.8 CSCCOCc1ccccn1 7a_100000230434_100000721315 [0,2,0,0,0,0|1,0,0]=3 11531 B12R1.8 CSCCOCc1cccnn1 34a_100000230434_100016990269 [0,2,0,0,0,0|2,0,0]=4 11532 B12R1.8 CSCCOCc1cccnn1 7a_100000230434_100016990269 [0,2,0,0,0,0|2,0,0]=4 11533 B12R1.8 CSCCOCc1cnccn1 34a_100000230434_100016995436 [0,2,0,0,0,0|2,0,0]=4 11534 B12R1.8 CSCCOCc1cnccn1 7a_100000230434_100016995436 [0,2,0,0,0,0|2,0,0]=4 11535 B12R1.8 CSCCOCc1ncccn1 34a_100000230434_100000703007 [0,2,0,0,0,0|2,0,0]=4 11536 B12R1.8 CSCCOCc1ncccn1 7a_100000230434_100000703007 [0,2,0,0,0,0|2,0,0]=4 11537 B12R1.8 CSCCSCc1ccccc1 62a_100000211182_100000751147 [0,2,0,0,0,0|2,0,0]=4 11538 B12R1.8 CSCCSCc1ccccc1 62a_100000212216_100015291786 [0,2,0,0,0,0|2,0,0]=4 11539 B12R1.8 CSCCSCc1ccccc1 62a_200000210301_200011297719 [0,2,0,0,0,0|2,0,0]=4 11540 B12R1.8 CSCCSCc1ccccc1 62a_200011297719_200000210301 [0,2,0,0,0,0|2,0,0]=4 11541 B12R1.8 CSCCSCc1ccccn1 62a_100000212216_100000721315 [0,2,0,0,0,0|1,0,0]=3 11542 B12R1.8 CSCCSCc1ccccn1 62a_100000721315_100000751147 [0,2,0,0,0,0|1,0,0]=3 11543 B12R1.8 CSCCSCc1cccnn1 62a_100000212216_100016990269 [0,2,0,0,0,0|2,0,0]=4 11544 B12R1.8 CSCCSCc1cccnn1 62a_100016990269_100000751147 [0,2,0,0,0,0|2,0,0]=4 11545 B12R1.8 CSCCSCc1cnccn1 62a_100000212216_100016995436 [0,2,0,0,0,0|2,0,0]=4 11546 B12R1.8 CSCCSCc1cnccn1 62a_100016995436_100000751147 [0,2,0,0,0,0|2,0,0]=4 11547 B12R1.8 CSCCSCc1ncccn1 62a_100000212216_100000703007 [0,2,0,0,0,0|2,0,0]=4 11548 B12R1.8 CSCCSCc1ncccn1 62a_100000703007_100000751147 [0,2,0,0,0,0|2,0,0]=4 11549 B12R1.8 CSCNCCc1ccccc1 2230a_100000106460_100011218213 [0,2,0,0,0,0|1,0,0]=3 11550 B12R1.8 CSCNCCc1ccccc1 34a_100000106460_100011218213 [0,2,0,0,0,0|1,0,0]=3 11551 B12R1.8 CSCNCCc1cccnc1 2230a_100000736294_100011218213 [0,2,0,0,0,0|2,0,0]=4 11552 B12R1.8 CSCOCCc1ccccc1 34a_100000210268_100011218213 [0,2,0,0,0,0|2,0,0]=4 11553 B12R1.8 CSCOCCc1ccccn1 34a_100000210271_100011218213 [0,2,0,0,0,0|1,0,0]=3 11554 B12R1.8 CSCOCCc1cnccn1 34a_100011349526_100011218213 [0,2,0,0,0,0|2,0,0]=4 11555 B12R1.8 CSCSCCc1ccccc1 62a_100000765856_100011218213 [0,2,0,0,0,0|2,0,0]=4 11556 B12R1.8 CSCSCCc1ccccc1 62a_100011218213_100011218657 [0,2,0,0,0,0|2,0,0]=4 11557 B12R1.8 CSCSCCc1ccccn1 62a_100011218213_100015183660 [0,2,0,0,0,0|1,0,0]=3 11558 B12R1.8 CSCSCCc1ccccn1 62a_100015183660_100011218213 [0,2,0,0,0,0|1,0,0]=3 11559 B12R1.8 CSCSCSc1ccccc1 62a_100011218213_100011218342 [0,2,0,0,0,0|2,0,0]=4 11560 B12R1.8 CSCSCSc1ccccc1 62a_100011218342_100011218213 [0,2,0,0,0,0|2,0,0]=4 11561 B12R1.8 ClCCCOCc1ccccc1 34a_100000230001_100015291786 [0,2,0,0,0,0|2,0,0]=4 11562 B12R1.8 ClCCCOCc1ccccn1 34a_100000230001_100000721315 [0,2,0,0,0,0|1,0,0]=3 11563 B12R1.8 ClCCCOCc1cccnn1 34a_100000230001_100016990269 [0,2,0,0,0,0|2,0,0]=4 11564 B12R1.8 ClCCCOCc1cnccn1 34a_100000230001_100016995436 [0,2,0,0,0,0|2,0,0]=4 11565 B12R1.8 ClCCCOCc1ncccn1 34a_100000230001_100000703007 [0,2,0,0,0,0|2,0,0]=4 11566 B12R1.8 FCCCCNc1ccccc1 34a_100000106764_100000729493 [0,2,0,0,0,0|2,0,0]=4 11567 B12R1.8 FCCCCOc1ccccc1 34a_100000210340_100000729493 [0,2,0,0,0,0|2,0,0]=4 11568 B12R1.8 FCCCCOc1ccccc1 7a_100000210340_100000729493 [0,2,0,0,0,0|2,0,0]=4 11569 B12R1.8 FCCCCSc1ccccc1 62a_100000719477_100000729493 [0,2,0,0,0,0|2,0,0]=4 11570 B12R1.8 FCCCCSc1ccccc1 62a_100000729493_100000041952 [0,2,0,0,0,0|2,0,0]=4 11571 B12R1.8 FCCCCSc1ccccn1 62a_100000729493_100011216584 [0,2,0,0,0,0|1,0,0]=3 11572 B12R1.8 FCCCCSc1ccccn1 62a_100011216584_100000729493 [0,2,0,0,0,0|1,0,0]=3 11573 B12R1.8 FCCCCSc1cccnn1 62a_100000729493_100016991348 [0,2,0,0,0,0|2,0,0]=4 11574 B12R1.8 FCCCCSc1cccnn1 62a_100016991348_100000729493 [0,2,0,0,0,0|2,0,0]=4 11575 B12R1.8 FCCCCSc1ccncn1 62a_100000703185_100000729493 [0,2,0,0,0,0|2,0,0]=4 11576 B12R1.8 FCCCCSc1ccncn1 62a_100000729493_100000703185 [0,2,0,0,0,0|2,0,0]=4 11577 B12R1.8 FCCCCSc1cnccn1 62a_100000211759_100000729493 [0,2,0,0,0,0|2,0,0]=4 11578 B12R1.8 FCCCCSc1cnccn1 62a_100000729493_100000211759 [0,2,0,0,0,0|2,0,0]=4 11579 B12R1.8 FCCCCSc1ncccn1 62a_100000211032_100000729493 [0,2,0,0,0,0|2,0,0]=4 11580 B12R1.8 FCCCCSc1ncccn1 62a_100000729493_100000211032 [0,2,0,0,0,0|2,0,0]=4 11581 B12R1.8 FCCCNCc1ccccc1 207a_100015189416_100015611070 [0,2,0,0,0,0|2,0,0]=4 11582 B12R1.8 FCCCNCc1ccccc1 2230a_100015189416_100015291786 [0,2,0,0,0,0|2,0,0]=4 11583 B12R1.8 FCCCNCc1ccccc1 2230a_100015324214_100011934791 [0,2,0,0,0,0|2,0,0]=4 11584 B12R1.8 FCCCNCc1ccccc1 270004a_100015189416_100015611070 [0,2,0,0,0,0|2,0,0]=4 11585 B12R1.8 FCCCNCc1ccccc1 34a_100015189416_100015291786 [0,2,0,0,0,0|2,0,0]=4 11586 B12R1.8 FCCCNCc1ccccc1 34a_100015324214_100011934791 [0,2,0,0,0,0|2,0,0]=4 11587 B12R1.8 FCCCNCc1ccccn1 207a_100015189416_100000209966 [0,2,0,0,0,0|1,0,0]=3 11588 B12R1.8 FCCCNCc1ccccn1 2230a_100015189416_100000721315 [0,2,0,0,0,0|1,0,0]=3 11589 B12R1.8 FCCCNCc1ccccn1 270004a_100015189416_100000209966 [0,2,0,0,0,0|1,0,0]=3 11590 B12R1.8 FCCCNCc1ccccn1 34a_100015189416_100000721315 [0,2,0,0,0,0|1,0,0]=3 11591 B12R1.8 FCCCNCc1cccnn1 2230a_100015189416_100016990269 [0,2,0,0,0,0|2,0,0]=4 11592 B12R1.8 FCCCNCc1cccnn1 2230a_100159270163_100011934791 [0,2,0,0,0,0|2,0,0]=4 11593 B12R1.8 FCCCNCc1cccnn1 34a_100015189416_100016990269 [0,2,0,0,0,0|2,0,0]=4 11594 B12R1.8 FCCCNCc1cnccn1 2230a_100015189416_100016995436 [0,2,0,0,0,0|2,0,0]=4 11595 B12R1.8 FCCCNCc1cnccn1 270004a_100015189416_100000749867 [0,2,0,0,0,0|2,0,0]=4 11596 B12R1.8 FCCCNCc1cnccn1 34a_100015189416_100016995436 [0,2,0,0,0,0|2,0,0]=4 11597 B12R1.8 FCCCNCc1ncccn1 2230a_100015189416_100000703007 [0,2,0,0,0,0|2,0,0]=4 11598 B12R1.8 FCCCNCc1ncccn1 270004a_100015189416_100011532527 [0,2,0,0,0,0|2,0,0]=4 11599 B12R1.8 FCCCNCc1ncccn1 34a_100015189416_100000703007 [0,2,0,0,0,0|2,0,0]=4 11600 B12R1.8 FCCCOCc1ccccc1 34a_100000210790_100011934791 [0,2,0,0,0,0|2,0,0]=4 11601 B12R1.8 FCCCOCc1ccccc1 34a_100000759539_100015291786 [0,2,0,0,0,0|2,0,0]=4 11602 B12R1.8 FCCCOCc1ccccc1 7a_100000210790_100011934791 [0,2,0,0,0,0|2,0,0]=4 11603 B12R1.8 FCCCOCc1ccccn1 34a_100000759539_100000721315 [0,2,0,0,0,0|1,0,0]=3 11604 B12R1.8 FCCCOCc1cccnn1 34a_100000759539_100016990269 [0,2,0,0,0,0|2,0,0]=4 11605 B12R1.8 FCCCOCc1cnccn1 34a_100000759539_100016995436 [0,2,0,0,0,0|2,0,0]=4 11606 B12R1.8 FCCCOCc1ncccn1 34a_100000759539_100000703007 [0,2,0,0,0,0|2,0,0]=4 11607 B12R1.8 FCCCSCc1ccccc1 62a_100000211182_100011934791 [0,2,0,0,0,0|2,0,0]=4 11608 B12R1.8 FCCCSCc1ccccc1 62a_100011934791_100015291786 [0,2,0,0,0,0|2,0,0]=4 11609 B12R1.8 FCCCSCc1ccccn1 62a_100000721315_100011934791 [0,2,0,0,0,0|1,0,0]=3 11610 B12R1.8 FCCCSCc1ccccn1 62a_100011934791_100000721315 [0,2,0,0,0,0|1,0,0]=3 11611 B12R1.8 FCCCSCc1cccnn1 62a_100011934791_100016990269 [0,2,0,0,0,0|2,0,0]=4 11612 B12R1.8 FCCCSCc1cccnn1 62a_100016990269_100011934791 [0,2,0,0,0,0|2,0,0]=4 11613 B12R1.8 FCCCSCc1cnccn1 62a_100011934791_100016995436 [0,2,0,0,0,0|2,0,0]=4 11614 B12R1.8 FCCCSCc1cnccn1 62a_100016995436_100011934791 [0,2,0,0,0,0|2,0,0]=4 11615 B12R1.8 FCCCSCc1ncccn1 62a_100000703007_100011934791 [0,2,0,0,0,0|2,0,0]=4 11616 B12R1.8 FCCCSCc1ncccn1 62a_100011934791_100000703007 [0,2,0,0,0,0|2,0,0]=4 11617 B12R1.8 FCCNCCc1ccccc1 2230a_100000106460_100011217306 [0,2,0,0,0,0|1,0,0]=3 11618 B12R1.8 FCCNCCc1ccccc1 34a_100000106460_100011217306 [0,2,0,0,0,0|1,0,0]=3 11619 B12R1.8 FCCNCCc1ccccc1 34a_100000724931_100000765856 [0,2,0,0,0,0|1,0,0]=3 11620 B12R1.8 FCCNCCc1cccnc1 2230a_100000736294_100011217306 [0,2,0,0,0,0|2,0,0]=4 11621 B12R1.8 FCCOCCc1ccccc1 34a_100000210268_100011217306 [0,2,0,0,0,0|2,0,0]=4 11622 B12R1.8 FCCOCCc1ccccc1 7a_100000210268_100011217306 [0,2,0,0,0,0|2,0,0]=4 11623 B12R1.8 FCCOCCc1ccccn1 34a_100000210271_100011217306 [0,2,0,0,0,0|1,0,0]=3 11624 B12R1.8 FCCOCCc1cnccn1 34a_100011349526_100011217306 [0,2,0,0,0,0|2,0,0]=4 11625 B12R1.8 FCCSCCc1ccccc1 62a_100000765856_100011217306 [0,2,0,0,0,0|2,0,0]=4 11626 B12R1.8 FCCSCCc1ccccc1 62a_100011217306_100011218657 [0,2,0,0,0,0|2,0,0]=4 11627 B12R1.8 FCCSCCc1ccccn1 62a_100011217306_100015183660 [0,2,0,0,0,0|1,0,0]=3 11628 B12R1.8 FCCSCCc1ccccn1 62a_100015183660_100011217306 [0,2,0,0,0,0|1,0,0]=3 11629 B12R1.8 FCNC/C=C/c1ccccc1 34a_100020603302_100015361967 [0,2,0,0,0,0|1,0,1]=4 11630 B12R1.8 FCNCC#Cc1ccccc1 34a_100000735379_100015361967 [0,2,0,0,0,0|1,0,1]=4 11631 B12R1.8 FCNCCCc1ccccc1 34a_100000211184_100015361967 [0,2,0,0,0,0|1,0,0]=3 11632 B12R1.8 FCNCCCc1cccnc1 34a_100011532358_100015361967 [0,2,0,0,0,0|2,0,0]=4 11633 B12R1.8 FCNCCOc1ccccc1 34a_100000174943_100015361967 [0,2,0,0,0,0|1,0,0]=3 11634 B12R1.8 FCOCC#Cc1ccccn1 34a_100011894333_100015361967 [0,2,0,0,0,0|1,0,1]=4 11635 B12R1.8 FCOCCCc1ccccc1 34a_100000210828_100015361967 [0,2,0,0,0,0|2,0,0]=4 11636 B12R1.8 FCOCCCc1ccccc1 7a_100000210828_100015361967 [0,2,0,0,0,0|2,0,0]=4 11637 B12R1.8 FCOCCCc1ccccn1 34a_100011215068_100015361967 [0,2,0,0,0,0|1,0,0]=3 11638 B12R1.8 FCOCCNc1ccccc1 34a_100000211345_100015361967 [0,2,0,0,0,0|2,0,0]=4 11639 B12R1.8 FCOCCOc1ccccc1 34a_100000210260_100015361967 [0,2,0,0,0,0|2,0,0]=4 11640 B12R1.8 FCOCCOc1ccccc1 7a_100000210260_100015361967 [0,2,0,0,0,0|2,0,0]=4 11641 B12R1.8 FCOCCSc1ccccc1 7a_100000230494_100015361967 [0,2,0,0,0,0|2,0,0]=4 11642 B12R1.8 FCOCCSc1ccccn1 7a_100000156319_100015361967 [0,2,0,0,0,0|1,0,0]=3 11643 B12R1.8 FCSCCCc1ccccc1 62a_100000211621_100015361967 [0,2,0,0,0,0|2,0,0]=4 11644 B12R1.8 FCSCCCc1ccccc1 62a_100015361967_100000211621 [0,2,0,0,0,0|2,0,0]=4 11645 B12R1.8 FCSCCOc1ccccc1 62a_100000184471_100015361967 [0,2,0,0,0,0|2,0,0]=4 11646 B12R1.8 FCSCCOc1ccccc1 62a_100015361967_100000184471 [0,2,0,0,0,0|2,0,0]=4 11647 B12R1.8 FCSCCSc1ccccc1 62a_100000246102_100015361967 [0,2,0,0,0,0|2,0,0]=4 11648 B12R1.8 FCSCCSc1ccccc1 62a_100015361967_100000246102 [0,2,0,0,0,0|2,0,0]=4 11649 B12R1.8 FCSCOCc1ccccc1 62a_100000763385_100015361967 [0,2,0,0,0,0|2,0,0]=4 11650 B12R1.8 FCSCOCc1ccccc1 62a_100015361967_100000763385 [0,2,0,0,0,0|2,0,0]=4 11651 B12R1.8 FCSCSCc1ccccc1 62a_100015361967_200011217039 [0,2,0,0,0,0|2,0,0]=4 11652 B12R1.8 FCSCSCc1ccccc1 62a_200011217039_100015361967 [0,2,0,0,0,0|2,0,0]=4 11653 B12R1.8 N#CCCCSc1ccccn1 62a_100000687738_100011216584 [0,2,0,0,0,0|1,0,1]=4 11654 B12R1.8 N#CCCCSc1ccccn1 62a_100011216584_100000687738 [0,2,0,0,0,0|1,0,1]=4 11655 B12R1.8 N#CCCNCc1ccccn1 270004a_100000720768_100000209966 [0,2,0,0,0,0|1,0,1]=4 11656 B12R1.8 N#CCCSCc1ccccn1 62a_100000721315_100011215226 [0,2,0,0,0,0|1,0,1]=4 11657 B12R1.8 N#CCCSCc1ccccn1 62a_100011215226_100000721315 [0,2,0,0,0,0|1,0,1]=4 11658 B12R1.8 N#CCNCCc1ccccc1 2230a_100000106460_100011215382 [0,2,0,0,0,0|1,0,0]=3 11659 B12R1.8 N#CCNCCc1cccnc1 2230a_100000736294_100011215382 [0,2,0,0,0,0|2,0,0]=4 11660 B12R1.8 N#CCOCCc1ccccc1 7a_100000210268_100011215382 [0,2,0,0,0,0|2,0,0]=4 11661 B12R1.8 N#CCSCCc1ccccc1 62a_100000765856_100011215382 [0,2,0,0,0,0|2,0,0]=4 11662 B12R1.8 N#CCSCCc1ccccc1 62a_100011215382_100011218657 [0,2,0,0,0,0|2,0,0]=4 11663 B12R1.8 N#CCSCCc1ccccn1 62a_100011215382_100015183660 [0,2,0,0,0,0|1,0,0]=3 11664 B12R1.8 N#CCSCCc1ccccn1 62a_100015183660_100011215382 [0,2,0,0,0,0|1,0,0]=3 11665 B12R1.8 N#CSCCSc1ccccn1 62a_100000034367_100011216584 [0,2,0,0,0,0|1,0,1]=4 11666 B12R1.8 N#CSCCSc1ccccn1 62a_100011216584_100000034367 [0,2,0,0,0,0|1,0,1]=4 11667 B12R1.8 N#CSCSCc1ccccn1 62a_100000211825_100000721315 [0,2,0,0,0,0|1,0,1]=4 11668 B12R1.8 N#CSCSCc1ccccn1 62a_100000721315_100000211825 [0,2,0,0,0,0|1,0,1]=4 11669 B12R1.8 NCCCOCc1ccccc1 34a_100000182051_100015291786 [0,2,0,0,0,0|2,0,0]=4 11670 B12R1.8 NCCCOCc1ccccn1 34a_100000182051_100000721315 [0,2,0,0,0,0|1,0,0]=3 11671 B12R1.8 NCCCOCc1cccnn1 34a_100000182051_100016990269 [0,2,0,0,0,0|2,0,0]=4 11672 B12R1.8 NCCCOCc1cnccn1 34a_100000182051_100016995436 [0,2,0,0,0,0|2,0,0]=4 11673 B12R1.8 NCCCOCc1ncccn1 34a_100000182051_100000703007 [0,2,0,0,0,0|2,0,0]=4 11674 B12R1.8 NCCOCCc1ccccc1 34a_100000210304_100000765856 [0,2,0,0,0,0|2,0,0]=4 11675 B12R1.8 NOCCOCc1ccccn1 34a_100000700252_100000721315 [0,2,0,0,0,0|2,0,0]=4 11676 B12R1.8 O=CCCCSc1ccccn1 62a_100011216584_200011292268 [0,2,0,0,0,0|1,0,1]=4 11677 B12R1.8 O=CCCCSc1ccccn1 62a_200011292268_100011216584 [0,2,0,0,0,0|1,0,1]=4 11678 B12R1.8 O=CCNCCc1ccccc1 2230a_100000106460_200015260668 [0,2,0,0,0,0|1,0,0]=3 11679 B12R1.8 O=CCNCCc1ccccc1 34a_100000106460_200009817547 [0,2,0,0,0,0|1,0,0]=3 11680 B12R1.8 O=CCNCCc1cccnc1 2230a_100000736294_200015260668 [0,2,0,0,0,0|2,0,0]=4 11681 B12R1.8 O=CCOCCc1ccccc1 34a_100000210268_200009817547 [0,2,0,0,0,0|2,0,0]=4 11682 B12R1.8 O=CCOCCc1ccccc1 7a_100000210268_200015260668 [0,2,0,0,0,0|2,0,0]=4 11683 B12R1.8 O=CCOCCc1ccccn1 34a_100000210271_200009817547 [0,2,0,0,0,0|1,0,0]=3 11684 B12R1.8 O=CCOCCc1cnccn1 34a_100011349526_200009817547 [0,2,0,0,0,0|2,0,0]=4 11685 B12R1.8 O=CCSCCc1ccccc1 62a_100000765856_200015260668 [0,2,0,0,0,0|2,0,0]=4 11686 B12R1.8 O=CCSCCc1ccccc1 62a_200015260668_100011218657 [0,2,0,0,0,0|2,0,0]=4 11687 B12R1.8 O=CCSCCc1ccccn1 62a_100015183660_200015260668 [0,2,0,0,0,0|1,0,0]=3 11688 B12R1.8 O=CCSCCc1ccccn1 62a_200015260668_100015183660 [0,2,0,0,0,0|1,0,0]=3 11689 B12R1.8 OCC#CCSc1ccccn1 62a_100011216584_200000047223 [0,2,0,0,0,0|1,0,1]=4 11690 B12R1.8 OCC#CCSc1ccccn1 62a_200000047223_100011216584 [0,2,0,0,0,0|1,0,1]=4 11691 B12R1.8 OCCCCNc1ccccc1 34a_100000106764_100011216708 [0,2,0,0,0,0|2,0,0]=4 11692 B12R1.8 OCCCCNc1cccnn1 27a_100000750430_100016991348 [0,2,0,0,0,0|2,0,0]=4 11693 B12R1.8 OCCCCNc1ccncn1 27a_100000750430_100000703185 [0,2,0,0,0,0|2,0,0]=4 11694 B12R1.8 OCCCCNc1cnccn1 27a_100000750430_100000211759 [0,2,0,0,0,0|2,0,0]=4 11695 B12R1.8 OCCCCNc1ncccn1 27a_100000750430_100000211032 [0,2,0,0,0,0|2,0,0]=4 11696 B12R1.8 OCCCCOc1ccccc1 34a_100000210340_100011216708 [0,2,0,0,0,0|2,0,0]=4 11697 B12R1.8 OCCCCOc1ccccc1 7a_100000210340_100000210776 [0,2,0,0,0,0|2,0,0]=4 11698 B12R1.8 OCCCCSc1ccccc1 62a_100000210776_100000041952 [0,2,0,0,0,0|2,0,0]=4 11699 B12R1.8 OCCCCSc1ccccc1 62a_100000719477_100000210776 [0,2,0,0,0,0|2,0,0]=4 11700 B12R1.8 OCCCCSc1ccccn1 62a_100000210776_100011216584 [0,2,0,0,0,0|1,0,0]=3 11701 B12R1.8 OCCCCSc1ccccn1 62a_100011216584_100000210776 [0,2,0,0,0,0|1,0,0]=3 11702 B12R1.8 OCCCCSc1cccnn1 62a_100000210776_100016991348 [0,2,0,0,0,0|2,0,0]=4 11703 B12R1.8 OCCCCSc1cccnn1 62a_100016991348_100000210776 [0,2,0,0,0,0|2,0,0]=4 11704 B12R1.8 OCCCCSc1ccncn1 62a_100000210776_100000703185 [0,2,0,0,0,0|2,0,0]=4 11705 B12R1.8 OCCCCSc1ccncn1 62a_100000703185_100000210776 [0,2,0,0,0,0|2,0,0]=4 11706 B12R1.8 OCCCCSc1cnccn1 62a_100000210776_100000211759 [0,2,0,0,0,0|2,0,0]=4 11707 B12R1.8 OCCCCSc1cnccn1 62a_100000211759_100000210776 [0,2,0,0,0,0|2,0,0]=4 11708 B12R1.8 OCCCCSc1ncccn1 62a_100000210776_100000211032 [0,2,0,0,0,0|2,0,0]=4 11709 B12R1.8 OCCCCSc1ncccn1 62a_100000211032_100000210776 [0,2,0,0,0,0|2,0,0]=4 11710 B12R1.8 OCCCNCc1ccccc1 207a_100000182051_100015611070 [0,2,0,0,0,0|2,0,0]=4 11711 B12R1.8 OCCCNCc1ccccc1 2230a_100015324214_100000230001 [0,2,0,0,0,0|2,0,0]=4 11712 B12R1.8 OCCCNCc1ccccc1 270004a_100000182051_100015611070 [0,2,0,0,0,0|2,0,0]=4 11713 B12R1.8 OCCCNCc1ccccc1 34a_100015324214_100000230001 [0,2,0,0,0,0|2,0,0]=4 11714 B12R1.8 OCCCNCc1ccccn1 207a_100000182051_100000209966 [0,2,0,0,0,0|1,0,0]=3 11715 B12R1.8 OCCCNCc1ccccn1 270004a_100000182051_100000209966 [0,2,0,0,0,0|1,0,0]=3 11716 B12R1.8 OCCCNCc1cccnn1 2230a_100159270163_100000230001 [0,2,0,0,0,0|2,0,0]=4 11717 B12R1.8 OCCCNCc1cnccn1 270004a_100000182051_100000749867 [0,2,0,0,0,0|2,0,0]=4 11718 B12R1.8 OCCCNCc1ncccn1 270004a_100000182051_100011532527 [0,2,0,0,0,0|2,0,0]=4 11719 B12R1.8 OCCCOCc1ccccc1 34a_100000210790_100000230001 [0,2,0,0,0,0|2,0,0]=4 11720 B12R1.8 OCCCOCc1ccccc1 7a_100000210790_100011215043 [0,2,0,0,0,0|2,0,0]=4 11721 B12R1.8 OCCCSCc1ccccc1 62a_100000211182_100011215043 [0,2,0,0,0,0|2,0,0]=4 11722 B12R1.8 OCCCSCc1ccccc1 62a_100011215043_100015291786 [0,2,0,0,0,0|2,0,0]=4 11723 B12R1.8 OCCCSCc1ccccn1 62a_100000721315_100011215043 [0,2,0,0,0,0|1,0,0]=3 11724 B12R1.8 OCCCSCc1ccccn1 62a_100011215043_100000721315 [0,2,0,0,0,0|1,0,0]=3 11725 B12R1.8 OCCCSCc1cccnn1 62a_100011215043_100016990269 [0,2,0,0,0,0|2,0,0]=4 11726 B12R1.8 OCCCSCc1cccnn1 62a_100016990269_100011215043 [0,2,0,0,0,0|2,0,0]=4 11727 B12R1.8 OCCCSCc1cnccn1 62a_100011215043_100016995436 [0,2,0,0,0,0|2,0,0]=4 11728 B12R1.8 OCCCSCc1cnccn1 62a_100016995436_100011215043 [0,2,0,0,0,0|2,0,0]=4 11729 B12R1.8 OCCCSCc1ncccn1 62a_100000703007_100011215043 [0,2,0,0,0,0|2,0,0]=4 11730 B12R1.8 OCCCSCc1ncccn1 62a_100011215043_100000703007 [0,2,0,0,0,0|2,0,0]=4 11731 B12R1.8 OCCNCCc1ccccc1 2230a_100000106460_100000211926 [0,2,0,0,0,0|1,0,0]=3 11732 B12R1.8 OCCNCCc1ccccc1 2230a_100016997473_100000765856 [0,2,0,0,0,0|1,0,0]=3 11733 B12R1.8 OCCNCCc1ccccc1 34a_100000106460_100000211926 [0,2,0,0,0,0|1,0,0]=3 11734 B12R1.8 OCCNCCc1ccccc1 34a_100016990907_100000765856 [0,2,0,0,0,0|1,0,0]=3 11735 B12R1.8 OCCNCCc1ccccn1 2230a_100016997473_100015183660 [0,2,0,0,0,0|0,0,0]=2 11736 B12R1.8 OCCNCCc1cccnc1 2230a_100000736294_100000211926 [0,2,0,0,0,0|2,0,0]=4 11737 B12R1.8 OCCNCCc1cccnc1 2230a_100016997473_200011713674 [0,2,0,0,0,0|2,0,0]=4 11738 B12R1.8 OCCNCCc1ccncc1 2230a_100016997473_100000723409 [0,2,0,0,0,0|2,0,0]=4 11739 B12R1.8 OCCNCSc1ccccc1 2230a_100016997473_100011218342 [0,2,0,0,0,0|2,0,0]=4 11740 B12R1.8 OCCNN=Cc1ccccn1 4a_100000210001_100000209966 [0,2,0,0,0,0|1,0,1]=4 11741 B12R1.8 OCCOCCc1ccccc1 34a_100000210268_100000211926 [0,2,0,0,0,0|2,0,0]=4 11742 B12R1.8 OCCOCCc1ccccc1 7a_100000210268_100000211926 [0,2,0,0,0,0|2,0,0]=4 11743 B12R1.8 OCCOCCc1ccccn1 34a_100000210271_100000211926 [0,2,0,0,0,0|1,0,0]=3 11744 B12R1.8 OCCOCCc1cnccn1 34a_100011349526_100000211926 [0,2,0,0,0,0|2,0,0]=4 11745 B12R1.8 OCCSCCc1ccccc1 62a_100000211926_100011218657 [0,2,0,0,0,0|2,0,0]=4 11746 B12R1.8 OCCSCCc1ccccc1 62a_100000765856_100000211926 [0,2,0,0,0,0|2,0,0]=4 11747 B12R1.8 OCCSCCc1ccccn1 62a_100000211926_100015183660 [0,2,0,0,0,0|1,0,0]=3 11748 B12R1.8 OCCSCCc1ccccn1 62a_100015183660_100000211926 [0,2,0,0,0,0|1,0,0]=3 11749 B12R1.8 [13CH3]NCCCCc1ccccc1 2230a_100015280158_200025704644 [0,2,0,0,0,0|1,0,0]=3 11750 B12R1.8 [13CH3]NCCCCc1ccccc1 34a_100015280158_200025704644 [0,2,0,0,0,0|1,0,0]=3 11751 B12R1.8 [13CH3]NCCCOc1ccccc1 2230a_100000216521_200025704644 [0,2,0,0,0,0|1,0,0]=3 11752 B12R1.8 [13CH3]NCCCOc1ccccc1 34a_100000216521_200025704644 [0,2,0,0,0,0|1,0,0]=3 11753 B12R1.8 [13CH3]NCCCSc1ccccc1 2230a_100000184639_200025704644 [0,2,0,0,0,0|1,0,0]=3 11754 B12R1.8 [13CH3]NCCOCc1ccccc1 2230a_100000753106_200025704644 [0,2,0,0,0,0|1,0,0]=3 11755 B12R1.8 [13CH3]NCCOCc1ccccc1 34a_100000753106_200025704644 [0,2,0,0,0,0|1,0,0]=3 11756 B12R1.8 [13CH3]NCCSCc1ccccc1 2230a_100000189534_200025704644 [0,2,0,0,0,0|1,0,0]=3 11757 B12R1.8 [13CH3]NCCSCc1ccccc1 34a_100000189534_200025704644 [0,2,0,0,0,0|1,0,0]=3 11758 B12R1.8 [13CH3]NCCSCc1ccccc1 7a_100000189534_200025704644 [0,2,0,0,0,0|1,0,0]=3 11759 B12R1.8 [13CH3]NCCSSc1ccccn1 2230a_100016995281_200025704644 [0,2,0,0,0,0|0,0,0]=2 11760 B12R1.8 [13CH3]NCCSSc1ccccn1 7a_100016995281_200025704644 [0,2,0,0,0,0|0,0,0]=2 11761 B12R1.8 [13CH3]OCCC#Cc1ccccc1 34a_100000760064_200025704644 [0,2,0,0,0,0|2,0,0]=4 11762 B12R1.8 [13CH3]OCCC#Cc1ccccc1 7a_100000760064_200025704644 [0,2,0,0,0,0|2,0,0]=4 11763 B12R1.8 [13CH3]OCCC#Cc1ccccn1 34a_200011894334_200025704644 [0,2,0,0,0,0|1,0,0]=3 11764 B12R1.8 [13CH3]OCCCCc1ccccc1 34a_100000703073_200025704644 [0,2,0,0,0,0|2,0,0]=4 11765 B12R1.8 [13CH3]OCCCCc1ccccc1 7a_100000703073_200025704644 [0,2,0,0,0,0|2,0,0]=4 11766 B12R1.8 [13CH3]OCCCCc1ccccn1 34a_100012186994_200025704644 [0,2,0,0,0,0|1,0,0]=3 11767 B12R1.8 [13CH3]OCCCNc1ccccc1 34a_100000212590_200025704644 [0,2,0,0,0,0|2,0,0]=4 11768 B12R1.8 [13CH3]OCCCOc1ccccc1 34a_100011215863_200025704644 [0,2,0,0,0,0|2,0,0]=4 11769 B12R1.8 [13CH3]OCCCOc1ccccc1 7a_100011215863_200025704644 [0,2,0,0,0,0|2,0,0]=4 11770 B12R1.8 [13CH3]OCCNCc1ccccc1 34a_100000180844_200025704644 [0,2,0,0,0,0|2,0,0]=4 11771 B12R1.8 [13CH3]OCCOCc1ccccc1 34a_100000759325_200025704644 [0,2,0,0,0,0|2,0,0]=4 11772 B12R1.8 [13CH3]OCCOCc1ccccc1 7a_100000759325_200025704644 [0,2,0,0,0,0|2,0,0]=4 11773 B12R1.8 [13CH3]OCCSCc1ccccc1 34a_100011205989_200025704644 [0,2,0,0,0,0|2,0,0]=4 11774 B12R1.8 [13CH3]OCCSCc1ccccc1 7a_100011205989_200025704644 [0,2,0,0,0,0|2,0,0]=4 11775 B12R1.8 [13CH3]OCCSSc1ccccn1 7a_100009993218_200025704644 [0,2,0,0,0,0|1,0,0]=3 11776 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_100000701786_200025704644 [0,2,0,0,0,0|2,0,0]=4 11777 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_200025704644_100000701786 [0,2,0,0,0,0|2,0,0]=4 11778 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_100000199009_200025704644 [0,2,0,0,0,0|2,0,0]=4 11779 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_200025704644_100000199009 [0,2,0,0,0,0|2,0,0]=4 11780 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200011203293_200025704644 [0,2,0,0,0,0|2,0,0]=4 11781 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200025704644_200011203293 [0,2,0,0,0,0|2,0,0]=4 11782 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_100000234347_200025704644 [0,2,0,0,0,0|2,0,0]=4 11783 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_200025704644_100000234347 [0,2,0,0,0,0|2,0,0]=4 11784 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200011297719_200025704644 [0,2,0,0,0,0|2,0,0]=4 11785 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200025704644_200011297719 [0,2,0,0,0,0|2,0,0]=4 11786 B12R1.27 C#CC(=O)CCc1ccccn1 1458a_100000211873_100015183660 [0,2,0,0,0,0|1,0,1]=4 11787 B12R1.27 C#CC(C)NCc1ccccn1 2230a_100000707721_100000721315 [0,2,0,0,0,0|1,0,1]=4 11788 B12R1.27 C#CC(C)NCc1ccccn1 270004a_100000707721_100000209966 [0,2,0,0,0,0|1,0,1]=4 11789 B12R1.27 C#CC(C)NCc1ccccn1 34a_100000707721_100000721315 [0,2,0,0,0,0|1,0,1]=4 11790 B12R1.27 C#CC(C)SCc1ccccn1 62a_200000035995_100000721315 [0,2,0,0,0,0|1,0,1]=4 11791 B12R1.27 C#C[C@@H](C)OCc1ccccn1 34a_100009815206_100000721315 [0,2,0,0,0,0|1,0,1]=4 11792 B12R1.27 C#C[C@@H](C)OCc1ccccn1 7a_100009815206_100000721315 [0,2,0,0,0,0|1,0,1]=4 11793 B12R1.27 C=CC(=O)CCc1ccccn1 1458a_100000185746_100015183660 [0,2,0,0,0,0|1,0,1]=4 11794 B12R1.27 C=CC(C)OCc1ccccn1 34a_100000695699_100000721315 [0,2,0,0,0,0|1,0,1]=4 11795 B12R1.27 C=CC(C)SCc1ccccn1 62a_100011215867_100000721315 [0,2,0,0,0,0|1,0,1]=4 11796 B12R1.27 C=CC(O)CSc1ccccn1 62a_100000730141_100011216584 [0,2,0,0,0,0|1,0,1]=4 11797 B12R1.27 C=CC(O)CSc1ccccn1 62a_100011216584_100000730141 [0,2,0,0,0,0|1,0,1]=4 11798 B12R1.27 CC(C#N)NCc1ccccn1 2230a_100000737613_100000721315 [0,2,0,0,0,0|2,0,0]=4 11799 B12R1.27 CC(C#N)OCc1ccccn1 34a_100011218135_100000721315 [0,2,0,0,0,0|2,0,0]=4 11800 B12R1.27 CC(C#N)SCc1ccccn1 62a_100000703298_100000721315 [0,2,0,0,0,0|2,0,0]=4 11801 B12R1.27 CC(C#N)SCc1ccccn1 62a_100000721315_100000703298 [0,2,0,0,0,0|2,0,0]=4 11802 B12R1.27 CC(CCc1ccccc1)N[13CH3] 2230a_100000210798_200025704644 [0,2,0,0,0,0|1,0,0]=3 11803 B12R1.27 CC(CCc1ccccc1)N[13CH3] 34a_100000210798_200025704644 [0,2,0,0,0,0|1,0,0]=3 11804 B12R1.27 CC(CF)OCc1ccccn1 34a_100016041109_100000721315 [0,2,0,0,0,0|2,0,0]=4 11805 B12R1.27 CC(CF)OCc1ccccn1 7a_100016041109_100000721315 [0,2,0,0,0,0|2,0,0]=4 11806 B12R1.27 CC(CN)OCc1ccccn1 34a_100000210904_100000721315 [0,2,0,0,0,0|2,0,0]=4 11807 B12R1.27 CC(CO)SCc1ccccn1 62a_100012180447_100000721315 [0,2,0,0,0,0|2,0,0]=4 11808 B12R1.27 CC(COc1ccccc1)N[13CH3] 2230a_100000746794_200025704644 [0,2,0,0,0,0|1,0,0]=3 11809 B12R1.27 CC(COc1ccccc1)N[13CH3] 34a_100000746794_200025704644 [0,2,0,0,0,0|1,0,0]=3 11810 B12R1.27 CC(COc1ccccc1)O[13CH3] 34a_100000210911_200025704644 [0,2,0,0,0,0|2,0,0]=4 11811 B12R1.27 CC(COc1ccccc1)O[13CH3] 7a_100000210911_200025704644 [0,2,0,0,0,0|2,0,0]=4 11812 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,2,0,0,0,0|2,0,0]=4 11813 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,2,0,0,0,0|2,0,0]=4 11814 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100000210414_100015183660 [0,2,0,0,0,0|1,0,0]=3 11815 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100015195070_100000210202 [0,2,0,0,0,0|1,0,0]=3 11816 B12R1.27 CCC(=O)COc1ccccn1 1458a_100102699861_100000210202 [0,2,0,0,0,0|1,0,1]=4 11817 B12R1.27 CCC(=O)CSc1ccccn1 1458a_100000156281_100000210202 [0,2,0,0,0,0|1,0,1]=4 11818 B12R1.27 CCC(=O)CSc1ccccn1 62a_100000747405_100011216584 [0,2,0,0,0,0|1,0,1]=4 11819 B12R1.27 CCC(=O)CSc1ccccn1 62a_100011216584_100000747405 [0,2,0,0,0,0|1,0,1]=4 11820 B12R1.27 CCC(=O)NCc1ccccn1 11a_100000210449_100000210414 [0,2,0,0,0,0|1,0,1]=4 11821 B12R1.27 CCC(=O)NCc1ccccn1 1626a_100000210449_100000210414 [0,2,0,0,0,0|1,0,1]=4 11822 B12R1.27 CCC(=O)NCc1ccccn1 240690a_100000210449_100000210414 [0,2,0,0,0,0|1,0,1]=4 11823 B12R1.27 CCC(=O)NCc1ccccn1 527a_100000210449_100000210414 [0,2,0,0,0,0|1,0,1]=4 11824 B12R1.27 CCC(C)CNc1ccccc1 34a_100000106764_100000748023 [0,2,0,0,0,0|2,0,0]=4 11825 B12R1.27 CCC(C)CNc1cccnn1 27a_100020588543_100016991348 [0,2,0,0,0,0|2,0,0]=4 11826 B12R1.27 CCC(C)CNc1ccncn1 27a_100020588543_100000703185 [0,2,0,0,0,0|2,0,0]=4 11827 B12R1.27 CCC(C)CNc1cnccn1 27a_100020588543_100000211759 [0,2,0,0,0,0|2,0,0]=4 11828 B12R1.27 CCC(C)CNc1ncccn1 27a_100020588543_100000211032 [0,2,0,0,0,0|2,0,0]=4 11829 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [0,2,0,0,0,0|2,0,0]=4 11830 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [0,2,0,0,0,0|2,0,0]=4 11831 B12R1.27 CCC(C)CSc1ccccc1 62a_100000719477_100000748023 [0,2,0,0,0,0|2,0,0]=4 11832 B12R1.27 CCC(C)CSc1ccccc1 62a_100000748023_100000041952 [0,2,0,0,0,0|2,0,0]=4 11833 B12R1.27 CCC(C)CSc1ccccn1 62a_100000748023_100011216584 [0,2,0,0,0,0|1,0,0]=3 11834 B12R1.27 CCC(C)CSc1ccccn1 62a_100011216584_100000748023 [0,2,0,0,0,0|1,0,0]=3 11835 B12R1.27 CCC(C)CSc1cccnn1 62a_100000748023_100016991348 [0,2,0,0,0,0|2,0,0]=4 11836 B12R1.27 CCC(C)CSc1cccnn1 62a_100016991348_100000748023 [0,2,0,0,0,0|2,0,0]=4 11837 B12R1.27 CCC(C)CSc1ccncn1 62a_100000703185_100000748023 [0,2,0,0,0,0|2,0,0]=4 11838 B12R1.27 CCC(C)CSc1ccncn1 62a_100000748023_100000703185 [0,2,0,0,0,0|2,0,0]=4 11839 B12R1.27 CCC(C)CSc1cnccn1 62a_100000211759_100000748023 [0,2,0,0,0,0|2,0,0]=4 11840 B12R1.27 CCC(C)CSc1cnccn1 62a_100000748023_100000211759 [0,2,0,0,0,0|2,0,0]=4 11841 B12R1.27 CCC(C)CSc1ncccn1 62a_100000211032_100000748023 [0,2,0,0,0,0|2,0,0]=4 11842 B12R1.27 CCC(C)CSc1ncccn1 62a_100000748023_100000211032 [0,2,0,0,0,0|2,0,0]=4 11843 B12R1.27 CCC(C)NCc1ccccc1 207a_100000209981_100015611070 [0,2,0,0,0,0|2,0,0]=4 11844 B12R1.27 CCC(C)NCc1ccccc1 2230a_100000209981_100015291786 [0,2,0,0,0,0|2,0,0]=4 11845 B12R1.27 CCC(C)NCc1ccccc1 2230a_100015324214_100000758301 [0,2,0,0,0,0|2,0,0]=4 11846 B12R1.27 CCC(C)NCc1ccccc1 270004a_100000209981_100015611070 [0,2,0,0,0,0|2,0,0]=4 11847 B12R1.27 CCC(C)NCc1ccccc1 34a_100015324214_100011215416 [0,2,0,0,0,0|2,0,0]=4 11848 B12R1.27 CCC(C)NCc1ccccn1 207a_100000209981_100000209966 [0,2,0,0,0,0|1,0,0]=3 11849 B12R1.27 CCC(C)NCc1ccccn1 2230a_100000209981_100000721315 [0,2,0,0,0,0|1,0,0]=3 11850 B12R1.27 CCC(C)NCc1ccccn1 270004a_100000209981_100000209966 [0,2,0,0,0,0|1,0,0]=3 11851 B12R1.27 CCC(C)NCc1cccnn1 2230a_100000209981_100016990269 [0,2,0,0,0,0|2,0,0]=4 11852 B12R1.27 CCC(C)NCc1cccnn1 2230a_100159270163_100000758301 [0,2,0,0,0,0|2,0,0]=4 11853 B12R1.27 CCC(C)NCc1cnccn1 2230a_100000209981_100016995436 [0,2,0,0,0,0|2,0,0]=4 11854 B12R1.27 CCC(C)NCc1cnccn1 270004a_100000209981_100000749867 [0,2,0,0,0,0|2,0,0]=4 11855 B12R1.27 CCC(C)NCc1ncccn1 2230a_100000209981_100000703007 [0,2,0,0,0,0|2,0,0]=4 11856 B12R1.27 CCC(C)NCc1ncccn1 270004a_100000209981_100011532527 [0,2,0,0,0,0|2,0,0]=4 11857 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [0,2,0,0,0,0|2,0,0]=4 11858 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [0,2,0,0,0,0|2,0,0]=4 11859 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [0,2,0,0,0,0|2,0,0]=4 11860 B12R1.27 CCC(C)OCc1ccccn1 7a_100000210228_100000721315 [0,2,0,0,0,0|1,0,0]=3 11861 B12R1.27 CCC(C)OCc1cccnn1 7a_100000210228_100016990269 [0,2,0,0,0,0|2,0,0]=4 11862 B12R1.27 CCC(C)OCc1cnccn1 7a_100000210228_100016995436 [0,2,0,0,0,0|2,0,0]=4 11863 B12R1.27 CCC(C)OCc1ncccn1 7a_100000210228_100000703007 [0,2,0,0,0,0|2,0,0]=4 11864 B12R1.27 CCC(C)SCc1ccccc1 62a_100000211182_100000758301 [0,2,0,0,0,0|2,0,0]=4 11865 B12R1.27 CCC(C)SCc1ccccc1 62a_100000758301_100015291786 [0,2,0,0,0,0|2,0,0]=4 11866 B12R1.27 CCC(C)SCc1ccccn1 62a_100000721315_100000758301 [0,2,0,0,0,0|1,0,0]=3 11867 B12R1.27 CCC(C)SCc1ccccn1 62a_100000758301_100000721315 [0,2,0,0,0,0|1,0,0]=3 11868 B12R1.27 CCC(C)SCc1cccnn1 62a_100000758301_100016990269 [0,2,0,0,0,0|2,0,0]=4 11869 B12R1.27 CCC(C)SCc1cccnn1 62a_100016990269_100000758301 [0,2,0,0,0,0|2,0,0]=4 11870 B12R1.27 CCC(C)SCc1cnccn1 62a_100000758301_100016995436 [0,2,0,0,0,0|2,0,0]=4 11871 B12R1.27 CCC(C)SCc1cnccn1 62a_100016995436_100000758301 [0,2,0,0,0,0|2,0,0]=4 11872 B12R1.27 CCC(C)SCc1ncccn1 62a_100000703007_100000758301 [0,2,0,0,0,0|2,0,0]=4 11873 B12R1.27 CCC(C)SCc1ncccn1 62a_100000758301_100000703007 [0,2,0,0,0,0|2,0,0]=4 11874 B12R1.27 CCC(O)CNc1ccccc1 34a_100000106764_100011218378 [0,2,0,0,0,0|2,0,0]=4 11875 B12R1.27 CCC(O)CNc1cccnn1 27a_100011218483_100016991348 [0,2,0,0,0,0|2,0,0]=4 11876 B12R1.27 CCC(O)CNc1ccncn1 27a_100011218483_100000703185 [0,2,0,0,0,0|2,0,0]=4 11877 B12R1.27 CCC(O)CNc1cnccn1 27a_100011218483_100000211759 [0,2,0,0,0,0|2,0,0]=4 11878 B12R1.27 CCC(O)CNc1ncccn1 27a_100011218483_100000211032 [0,2,0,0,0,0|2,0,0]=4 11879 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [0,2,0,0,0,0|2,0,0]=4 11880 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [0,2,0,0,0,0|2,0,0]=4 11881 B12R1.27 CCC(O)CSc1ccccc1 62a_100000719477_100011218378 [0,2,0,0,0,0|2,0,0]=4 11882 B12R1.27 CCC(O)CSc1ccccc1 62a_100011218378_100000041952 [0,2,0,0,0,0|2,0,0]=4 11883 B12R1.27 CCC(O)CSc1ccccn1 62a_100011216584_100011218378 [0,2,0,0,0,0|1,0,0]=3 11884 B12R1.27 CCC(O)CSc1ccccn1 62a_100011218378_100011216584 [0,2,0,0,0,0|1,0,0]=3 11885 B12R1.27 CCC(O)CSc1cccnn1 62a_100011218378_100016991348 [0,2,0,0,0,0|2,0,0]=4 11886 B12R1.27 CCC(O)CSc1cccnn1 62a_100016991348_100011218378 [0,2,0,0,0,0|2,0,0]=4 11887 B12R1.27 CCC(O)CSc1ccncn1 62a_100000703185_100011218378 [0,2,0,0,0,0|2,0,0]=4 11888 B12R1.27 CCC(O)CSc1ccncn1 62a_100011218378_100000703185 [0,2,0,0,0,0|2,0,0]=4 11889 B12R1.27 CCC(O)CSc1cnccn1 62a_100000211759_100011218378 [0,2,0,0,0,0|2,0,0]=4 11890 B12R1.27 CCC(O)CSc1cnccn1 62a_100011218378_100000211759 [0,2,0,0,0,0|2,0,0]=4 11891 B12R1.27 CCC(O)CSc1ncccn1 62a_100000211032_100011218378 [0,2,0,0,0,0|2,0,0]=4 11892 B12R1.27 CCC(O)CSc1ncccn1 62a_100011218378_100000211032 [0,2,0,0,0,0|2,0,0]=4 11893 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000207497_100000210202 [0,2,0,0,0,0|1,0,0]=3 11894 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000225621_100000765856 [0,2,0,0,0,0|1,0,0]=3 11895 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000741020_200000210301 [0,2,0,0,0,0|1,0,0]=3 11896 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000207497_100000204670 [0,2,0,0,0,0|1,0,0]=3 11897 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000225621_100000765856 [0,2,0,0,0,0|1,0,0]=3 11898 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000741020_200000210301 [0,2,0,0,0,0|1,0,0]=3 11899 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000225621_100015183660 [0,2,0,0,0,0|0,0,0]=2 11900 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000227201_200000210301 [0,2,0,0,0,0|0,0,0]=2 11901 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000737206_100000210202 [0,2,0,0,0,0|0,0,0]=2 11902 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000225621_100015183660 [0,2,0,0,0,0|0,0,0]=2 11903 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000227201_200000210301 [0,2,0,0,0,0|0,0,0]=2 11904 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000737206_100000204670 [0,2,0,0,0,0|0,0,0]=2 11905 B12R1.27 CCN(C)CCc1cccnc1 2230a_100000225621_200011713674 [0,2,0,0,0,0|2,0,0]=4 11906 B12R1.27 CCN(C)CCc1cccnc1 2230a_100000763209_100000210202 [0,2,0,0,0,0|2,0,0]=4 11907 B12R1.27 CCN(C)CCc1cccnc1 269982a_100000225621_200011713674 [0,2,0,0,0,0|2,0,0]=4 11908 B12R1.27 CCN(C)CCc1cccnc1 269982a_100000763209_100000204670 [0,2,0,0,0,0|2,0,0]=4 11909 B12R1.27 CCN(C)CCc1ccncc1 2230a_100000225621_100000723409 [0,2,0,0,0,0|2,0,0]=4 11910 B12R1.27 CCN(C)CCc1ccncc1 2230a_100000742850_100000210202 [0,2,0,0,0,0|2,0,0]=4 11911 B12R1.27 CCN(C)CCc1ccncc1 269982a_100000225621_100000723409 [0,2,0,0,0,0|2,0,0]=4 11912 B12R1.27 CCN(C)CCc1ccncc1 269982a_100000742850_100000204670 [0,2,0,0,0,0|2,0,0]=4 11913 B12R1.27 CCN(C)CSc1ccccc1 2230a_100000225621_100011218342 [0,2,0,0,0,0|2,0,0]=4 11914 B12R1.27 CCN(C)CSc1ccccc1 269982a_100000225621_100011218342 [0,2,0,0,0,0|2,0,0]=4 11915 B12R1.27 CCN([13CH3])CCc1ccccc1 2230a_100000741020_200025704644 [0,2,0,0,0,0|1,0,0]=3 11916 B12R1.27 CCN([13CH3])CCc1ccccc1 269982a_100000741020_200025704644 [0,2,0,0,0,0|1,0,0]=3 11917 B12R1.27 CCN([13CH3])CCc1ccccn1 2230a_100000227201_200025704644 [0,2,0,0,0,0|0,0,0]=2 11918 B12R1.27 CCN([13CH3])CCc1ccccn1 269982a_100000227201_200025704644 [0,2,0,0,0,0|0,0,0]=2 11919 B12R1.27 CC[C@H](C)CNc1ccccc1 34a_100000106764_100009816398 [0,2,0,0,0,0|2,0,0]=4 11920 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [0,2,0,0,0,0|2,0,0]=4 11921 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [0,2,0,0,0,0|2,0,0]=4 11922 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100000719477_100009816398 [0,2,0,0,0,0|2,0,0]=4 11923 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100009816398_100000041952 [0,2,0,0,0,0|2,0,0]=4 11924 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100009816398_100011216584 [0,2,0,0,0,0|1,0,0]=3 11925 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100011216584_100009816398 [0,2,0,0,0,0|1,0,0]=3 11926 B12R1.27 CC[C@H](C)CSc1cccnn1 62a_100009816398_100016991348 [0,2,0,0,0,0|2,0,0]=4 11927 B12R1.27 CC[C@H](C)CSc1cccnn1 62a_100016991348_100009816398 [0,2,0,0,0,0|2,0,0]=4 11928 B12R1.27 CC[C@H](C)CSc1ccncn1 62a_100000703185_100009816398 [0,2,0,0,0,0|2,0,0]=4 11929 B12R1.27 CC[C@H](C)CSc1ccncn1 62a_100009816398_100000703185 [0,2,0,0,0,0|2,0,0]=4 11930 B12R1.27 CC[C@H](C)CSc1cnccn1 62a_100000211759_100009816398 [0,2,0,0,0,0|2,0,0]=4 11931 B12R1.27 CC[C@H](C)CSc1cnccn1 62a_100009816398_100000211759 [0,2,0,0,0,0|2,0,0]=4 11932 B12R1.27 CC[C@H](C)CSc1ncccn1 62a_100000211032_100009816398 [0,2,0,0,0,0|2,0,0]=4 11933 B12R1.27 CC[C@H](C)CSc1ncccn1 62a_100009816398_100000211032 [0,2,0,0,0,0|2,0,0]=4 11934 B12R1.27 CN(CF)CCc1ccccc1 269982a_100000207497_100015361967 [0,2,0,0,0,0|1,0,0]=3 11935 B12R1.27 CN(CF)CCc1ccccn1 269982a_100000737206_100015361967 [0,2,0,0,0,0|0,0,0]=2 11936 B12R1.27 CN(CF)CCc1cccnc1 269982a_100000763209_100015361967 [0,2,0,0,0,0|2,0,0]=4 11937 B12R1.27 CN(CF)CCc1ccncc1 269982a_100000742850_100015361967 [0,2,0,0,0,0|2,0,0]=4 11938 B12R1.27 CNC(=O)C=Cc1ccccn1 11a_106832991635_100000740811 [0,2,0,0,0,0|0,0,2]=4 11939 B12R1.27 CNC(=O)C=Cc1ccccn1 240690a_100102657272_100000740811 [0,2,0,0,0,0|0,0,2]=4 11940 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,2,0,0,0,0|1,0,0]=3 11941 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,2,0,0,0,0|1,0,0]=3 11942 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,2,0,0,0,0|1,0,0]=3 11943 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,2,0,0,0,0|1,0,0]=3 11944 B12R1.27 CNC(=O)CCc1ccccn1 11a_106832991635_100015195070 [0,2,0,0,0,0|0,0,0]=2 11945 B12R1.27 CNC(=O)CCc1ccccn1 240690a_100102657272_100015195070 [0,2,0,0,0,0|0,0,0]=2 11946 B12R1.27 CNC(=O)CCc1ccccn1 527a_100102657272_100015195070 [0,2,0,0,0,0|0,0,0]=2 11947 B12R1.27 CNC(=O)CCc1cccnc1 11a_106832991635_100000198484 [0,2,0,0,0,0|2,0,0]=4 11948 B12R1.27 CNC(=O)CCc1cccnc1 1626a_100102657272_100000198484 [0,2,0,0,0,0|2,0,0]=4 11949 B12R1.27 CNC(=O)CCc1cccnc1 240690a_100102657272_100000198484 [0,2,0,0,0,0|2,0,0]=4 11950 B12R1.27 CNC(=O)CCc1cccnc1 527a_100102657272_100000198484 [0,2,0,0,0,0|2,0,0]=4 11951 B12R1.27 CNC(=O)CCc1ccncc1 11a_106832991635_100011225043 [0,2,0,0,0,0|2,0,0]=4 11952 B12R1.27 CNC(=O)CCc1ccncc1 240690a_100102657272_100011225043 [0,2,0,0,0,0|2,0,0]=4 11953 B12R1.27 CNC(=O)CCc1ccncc1 527a_100102657272_100011225043 [0,2,0,0,0,0|2,0,0]=4 11954 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [0,2,0,0,0,0|1,0,1]=4 11955 B12R1.27 CNC(=O)CNc1cccnn1 27a_100000693194_100016991348 [0,2,0,0,0,0|1,0,1]=4 11956 B12R1.27 CNC(=O)CNc1ccncn1 27a_100000693194_100000703185 [0,2,0,0,0,0|1,0,1]=4 11957 B12R1.27 CNC(=O)CNc1cnccn1 27a_100000693194_100000211759 [0,2,0,0,0,0|1,0,1]=4 11958 B12R1.27 CNC(=O)CNc1ncccn1 27a_100000693194_100000211032 [0,2,0,0,0,0|1,0,1]=4 11959 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [0,2,0,0,0,0|1,0,1]=4 11960 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [0,2,0,0,0,0|1,0,1]=4 11961 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [0,2,0,0,0,0|1,0,1]=4 11962 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [0,2,0,0,0,0|1,0,1]=4 11963 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [0,2,0,0,0,0|1,0,1]=4 11964 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [0,2,0,0,0,0|1,0,1]=4 11965 B12R1.27 CNC(=O)COc1ccccn1 1626a_100102657272_100102699861 [0,2,0,0,0,0|0,0,1]=3 11966 B12R1.27 CNC(=O)COc1ccccn1 240690a_100102657272_100102699861 [0,2,0,0,0,0|0,0,1]=3 11967 B12R1.27 CNC(=O)COc1ccccn1 527a_100102657272_100102699861 [0,2,0,0,0,0|0,0,1]=3 11968 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [0,2,0,0,0,0|1,0,1]=4 11969 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [0,2,0,0,0,0|1,0,1]=4 11970 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [0,2,0,0,0,0|1,0,1]=4 11971 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [0,2,0,0,0,0|1,0,1]=4 11972 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [0,2,0,0,0,0|1,0,1]=4 11973 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [0,2,0,0,0,0|1,0,1]=4 11974 B12R1.27 CNC(=O)CSc1ccccn1 11a_106832991635_100000156281 [0,2,0,0,0,0|0,0,1]=3 11975 B12R1.27 CNC(=O)CSc1ccccn1 240690a_100102657272_100000156281 [0,2,0,0,0,0|0,0,1]=3 11976 B12R1.27 CNC(=O)CSc1ccccn1 527a_100102657272_100000156281 [0,2,0,0,0,0|0,0,1]=3 11977 B12R1.27 CNC(=O)CSc1ccccn1 62a_100000183359_100011216584 [0,2,0,0,0,0|0,0,1]=3 11978 B12R1.27 CNC(=O)CSc1ccccn1 62a_100011216584_100000183359 [0,2,0,0,0,0|0,0,1]=3 11979 B12R1.27 CNC(=O)CSc1cccnn1 62a_100000183359_100016991348 [0,2,0,0,0,0|1,0,1]=4 11980 B12R1.27 CNC(=O)CSc1cccnn1 62a_100016991348_100000183359 [0,2,0,0,0,0|1,0,1]=4 11981 B12R1.27 CNC(=O)CSc1ccncn1 62a_100000183359_100000703185 [0,2,0,0,0,0|1,0,1]=4 11982 B12R1.27 CNC(=O)CSc1ccncn1 62a_100000703185_100000183359 [0,2,0,0,0,0|1,0,1]=4 11983 B12R1.27 CNC(=O)CSc1cnccn1 62a_100000183359_100000211759 [0,2,0,0,0,0|1,0,1]=4 11984 B12R1.27 CNC(=O)CSc1cnccn1 62a_100000211759_100000183359 [0,2,0,0,0,0|1,0,1]=4 11985 B12R1.27 CNC(=O)CSc1ncccn1 240690a_100102657272_200000156282 [0,2,0,0,0,0|1,0,1]=4 11986 B12R1.27 CNC(=O)CSc1ncccn1 62a_100000183359_100000211032 [0,2,0,0,0,0|1,0,1]=4 11987 B12R1.27 CNC(=O)CSc1ncccn1 62a_100000211032_100000183359 [0,2,0,0,0,0|1,0,1]=4 11988 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,2,0,0,0,0|1,0,1]=4 11989 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,2,0,0,0,0|1,0,1]=4 11990 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,2,0,0,0,0|1,0,1]=4 11991 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,2,0,0,0,0|1,0,1]=4 11992 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,2,0,0,0,0|1,0,1]=4 11993 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,2,0,0,0,0|1,0,1]=4 11994 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100000210449_106832991635 [0,2,0,0,0,0|0,0,1]=3 11995 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100102657272_100000210449 [0,2,0,0,0,0|0,0,1]=3 11996 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100000210449_100102657272 [0,2,0,0,0,0|0,0,1]=3 11997 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100102657272_100000210449 [0,2,0,0,0,0|0,0,1]=3 11998 B12R1.27 CNC(=O)NCc1ccccn1 512a_106832991638_100000210449 [0,2,0,0,0,0|0,0,1]=3 11999 B12R1.27 CNC(=O)NCc1cccnn1 2708a_100102657272_100159270163 [0,2,0,0,0,0|1,0,1]=4 12000 B12R1.27 CNC(=O)NCc1cccnn1 2708a_100159270163_106832991635 [0,2,0,0,0,0|1,0,1]=4 12001 B12R1.27 CNC(=O)NCc1cccnn1 273464a_100102657272_100159270163 [0,2,0,0,0,0|1,0,1]=4 12002 B12R1.27 CNC(=O)NCc1cccnn1 273464a_100159270163_100102657272 [0,2,0,0,0,0|1,0,1]=4 12003 B12R1.27 CNC(=O)NCc1cccnn1 512a_100159270163_100102657272 [0,2,0,0,0,0|1,0,1]=4 12004 B12R1.27 CNC(=O)NCc1cccnn1 512a_106832991638_100159270163 [0,2,0,0,0,0|1,0,1]=4 12005 B12R1.27 CNC(=O)NCc1ccncn1 2708a_100102657272_100000736019 [0,2,0,0,0,0|1,0,1]=4 12006 B12R1.27 CNC(=O)NCc1ccncn1 273464a_100102657272_100000736019 [0,2,0,0,0,0|1,0,1]=4 12007 B12R1.27 CNC(=O)NCc1ccncn1 512a_100000736019_100102657272 [0,2,0,0,0,0|1,0,1]=4 12008 B12R1.27 CNC(=O)NCc1ccncn1 512a_106832991638_100000736019 [0,2,0,0,0,0|1,0,1]=4 12009 B12R1.27 CNC(=O)NCc1cnccn1 2708a_100000737960_106832991635 [0,2,0,0,0,0|1,0,1]=4 12010 B12R1.27 CNC(=O)NCc1cnccn1 2708a_100102657272_100000737960 [0,2,0,0,0,0|1,0,1]=4 12011 B12R1.27 CNC(=O)NCc1cnccn1 273464a_100000737960_100102657272 [0,2,0,0,0,0|1,0,1]=4 12012 B12R1.27 CNC(=O)NCc1cnccn1 273464a_100102657272_100000737960 [0,2,0,0,0,0|1,0,1]=4 12013 B12R1.27 CNC(=O)NCc1cnccn1 512a_100000737960_100102657272 [0,2,0,0,0,0|1,0,1]=4 12014 B12R1.27 CNC(=O)NCc1cnccn1 512a_106832991638_100000737960 [0,2,0,0,0,0|1,0,1]=4 12015 B12R1.27 CNC(=O)NCc1ncccn1 2708a_100015189908_106832991635 [0,2,0,0,0,0|1,0,1]=4 12016 B12R1.27 CNC(=O)NCc1ncccn1 2708a_100102657272_100015189908 [0,2,0,0,0,0|1,0,1]=4 12017 B12R1.27 CNC(=O)NCc1ncccn1 273464a_100015189908_100102657272 [0,2,0,0,0,0|1,0,1]=4 12018 B12R1.27 CNC(=O)NCc1ncccn1 273464a_100102657272_100015189908 [0,2,0,0,0,0|1,0,1]=4 12019 B12R1.27 CNC(=O)NCc1ncccn1 512a_100015189908_100102657272 [0,2,0,0,0,0|1,0,1]=4 12020 B12R1.27 CNC(=O)NCc1ncccn1 512a_106832991638_100015189908 [0,2,0,0,0,0|1,0,1]=4 12021 B12R1.27 CNC(=O)NNc1ccccn1 273464a_100102657272_100000183288 [0,2,0,0,0,0|1,0,1]=4 12022 B12R1.27 CNC(=O)NNc1ccccn1 512a_106832991638_100000183288 [0,2,0,0,0,0|1,0,1]=4 12023 B12R1.27 CNC(C)CCc1ccccc1 2230a_100000210798_200000210301 [0,2,0,0,0,0|1,0,0]=3 12024 B12R1.27 CNC(C)CCc1ccccc1 270004a_106832991635_100000210092 [0,2,0,0,0,0|1,0,0]=3 12025 B12R1.27 CNC(C)CCc1ccccc1 34a_100000210798_200000210301 [0,2,0,0,0,0|1,0,0]=3 12026 B12R1.27 CNC(C)COc1ccccc1 2230a_100000746794_200000210301 [0,2,0,0,0,0|1,0,0]=3 12027 B12R1.27 CNC(C)COc1ccccc1 270004a_106832991635_100000150576 [0,2,0,0,0,0|1,0,0]=3 12028 B12R1.27 CNC(C)COc1ccccc1 34a_100000746794_200000210301 [0,2,0,0,0,0|1,0,0]=3 12029 B12R1.27 CNC(C)CSc1ccccc1 270004a_106832991635_100000150717 [0,2,0,0,0,0|1,0,0]=3 12030 B12R1.27 COC(=O)CSc1ccccn1 62a_100000747449_100011216584 [0,2,0,0,0,0|1,0,1]=4 12031 B12R1.27 COC(=O)CSc1ccccn1 62a_100011216584_100000747449 [0,2,0,0,0,0|1,0,1]=4 12032 B12R1.27 COC(C)COc1ccccc1 34a_100000210911_200000210301 [0,2,0,0,0,0|2,0,0]=4 12033 B12R1.27 COC(C)COc1ccccc1 7a_100000210911_200000210301 [0,2,0,0,0,0|2,0,0]=4 12034 B12R1.27 COC(C)SCc1ccccc1 62a_100000211182_100009879195 [0,2,0,0,0,0|2,0,0]=4 12035 B12R1.27 COC(C)SCc1ccccc1 62a_100009879195_100015291786 [0,2,0,0,0,0|2,0,0]=4 12036 B12R1.27 COC(C)SCc1ccccn1 62a_100000721315_100009879195 [0,2,0,0,0,0|1,0,0]=3 12037 B12R1.27 COC(C)SCc1ccccn1 62a_100009879195_100000721315 [0,2,0,0,0,0|1,0,0]=3 12038 B12R1.27 COC(C)SCc1cccnn1 62a_100009879195_100016990269 [0,2,0,0,0,0|2,0,0]=4 12039 B12R1.27 COC(C)SCc1cccnn1 62a_100016990269_100009879195 [0,2,0,0,0,0|2,0,0]=4 12040 B12R1.27 COC(C)SCc1cnccn1 62a_100009879195_100016995436 [0,2,0,0,0,0|2,0,0]=4 12041 B12R1.27 COC(C)SCc1cnccn1 62a_100016995436_100009879195 [0,2,0,0,0,0|2,0,0]=4 12042 B12R1.27 COC(C)SCc1ncccn1 62a_100000703007_100009879195 [0,2,0,0,0,0|2,0,0]=4 12043 B12R1.27 COC(C)SCc1ncccn1 62a_100009879195_100000703007 [0,2,0,0,0,0|2,0,0]=4 12044 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [0,2,0,0,0,0|2,0,0]=4 12045 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [0,2,0,0,0,0|2,0,0]=4 12046 B12R1.27 CO[C@H](C)CNc1cccnn1 27a_100020591295_100016991348 [0,2,0,0,0,0|2,0,0]=4 12047 B12R1.27 CO[C@H](C)CNc1ccncn1 27a_100020591295_100000703185 [0,2,0,0,0,0|2,0,0]=4 12048 B12R1.27 CO[C@H](C)CNc1cnccn1 27a_100020591295_100000211759 [0,2,0,0,0,0|2,0,0]=4 12049 B12R1.27 CO[C@H](C)CNc1ncccn1 27a_100020591295_100000211032 [0,2,0,0,0,0|2,0,0]=4 12050 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [0,2,0,0,0,0|2,0,0]=4 12051 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [0,2,0,0,0,0|2,0,0]=4 12052 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100000059175_100011216584 [0,2,0,0,0,0|2,0,0]=4 12053 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100011216584_100000059175 [0,2,0,0,0,0|2,0,0]=4 12054 B12R1.27 C[C@H](CF)NCc1ccccn1 207a_100102880703_100000209966 [0,2,0,0,0,0|2,0,0]=4 12055 B12R1.27 C[C@H](CF)NCc1ccccn1 270004a_100102880703_100000209966 [0,2,0,0,0,0|2,0,0]=4 12056 B12R1.27 C[C@H](CO)NCc1ccccn1 207a_100000737577_100000209966 [0,2,0,0,0,0|2,0,0]=4 12057 B12R1.27 C[C@H](CO)NCc1ccccn1 2230a_100000737577_100000721315 [0,2,0,0,0,0|2,0,0]=4 12058 B12R1.27 C[C@H](CO)NCc1ccccn1 270004a_100000737577_100000209966 [0,2,0,0,0,0|2,0,0]=4 12059 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100000721315_100016084084 [0,2,0,0,0,0|2,0,0]=4 12060 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100016084084_100000721315 [0,2,0,0,0,0|2,0,0]=4 12061 B12R1.27 N#CC(F)SCc1ccccn1 62a_100000721315_200000117898 [0,2,0,0,0,0|2,0,0]=4 12062 B12R1.27 N#CC(F)SCc1ccccn1 62a_200000117898_100000721315 [0,2,0,0,0,0|2,0,0]=4 12063 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,2,0,0,0,0|2,0,0]=4 12064 B12R1.27 O=C(CF)CCc1ccccn1 1458a_100015195070_100015361967 [0,2,0,0,0,0|1,0,0]=3 12065 B12R1.27 O=C(CF)COc1ccccn1 1458a_100102699861_100015361967 [0,2,0,0,0,0|2,0,0]=4 12066 B12R1.27 O=C(CF)CSc1ccccn1 1458a_100000156281_100015361967 [0,2,0,0,0,0|2,0,0]=4 12067 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,2,0,0,0,0|2,0,0]=4 12068 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [0,2,0,0,0,0|1,0,0]=3 12069 B12R1.27 O=C(CO)NCc1ccccn1 240690a_100000210449_100000210174 [0,2,0,0,0,0|2,0,0]=4 12070 B12R1.27 O=C(CO)NCc1ccccn1 527a_100000210449_100000210174 [0,2,0,0,0,0|2,0,0]=4 12071 B12R1.27 OCC(O)CSc1ccccn1 62a_100011216584_100011219619 [0,2,0,0,0,0|2,0,0]=4 12072 B12R1.27 OCC(O)CSc1ccccn1 62a_100011219619_100011216584 [0,2,0,0,0,0|2,0,0]=4 12073 B12R1.27 OC[C@H](O)CSc1ccccn1 62a_100009815848_100011216584 [0,2,0,0,0,0|2,0,0]=4 12074 B12R1.27 OC[C@H](O)CSc1ccccn1 62a_100011216584_100009815848 [0,2,0,0,0,0|2,0,0]=4 12075 B12R1.27 O[C@@H](CF)CSc1ccccn1 62a_100011216584_100015614560 [0,2,0,0,0,0|2,0,0]=4 12076 B12R1.27 O[C@@H](CF)CSc1ccccn1 62a_100015614560_100011216584 [0,2,0,0,0,0|2,0,0]=4 12077 B12R1.32 C#CCC(=O)Cc1ccccn1 1458a_100000233486_100000184674 [0,2,0,0,0,0|1,0,1]=4 12078 B12R1.32 C#CCC(=O)Cc1ccccn1 1458a_100011220946_100000721315 [0,2,0,0,0,0|1,0,1]=4 12079 B12R1.32 C#CCN(C)Cc1ccccn1 2230a_100000207498_100000038162 [0,2,0,0,0,0|1,0,1]=4 12080 B12R1.32 C#CCN(C)Cc1ccccn1 2230a_100000225692_100000721315 [0,2,0,0,0,0|1,0,1]=4 12081 B12R1.32 C#CCN(C)Cc1ccccn1 270004a_100000225692_100000209966 [0,2,0,0,0,0|1,0,1]=4 12082 B12R1.32 C#CCN(C)Cc1ccccn1 34a_100000225692_100000721315 [0,2,0,0,0,0|1,0,1]=4 12083 B12R1.32 C=CCC(=O)Cc1ccccn1 1458a_100000210193_100000721315 [0,2,0,0,0,0|1,0,1]=4 12084 B12R1.32 C=CCC(=O)Cc1ccccn1 1458a_100000233486_100000210623 [0,2,0,0,0,0|1,0,1]=4 12085 B12R1.32 C=CCN(C)Cc1ccccn1 2230a_100000207498_100000210623 [0,2,0,0,0,0|1,0,1]=4 12086 B12R1.32 C=CCN(C)Cc1ccccn1 2230a_100000225617_100000721315 [0,2,0,0,0,0|1,0,1]=4 12087 B12R1.32 C=CCN(C)Cc1ccccn1 269982a_100000207498_100000210623 [0,2,0,0,0,0|1,0,1]=4 12088 B12R1.32 C=CCN(C)Cc1ccccn1 269982a_100000225617_100000721315 [0,2,0,0,0,0|1,0,1]=4 12089 B12R1.32 C=CCN(C)Cc1ccccn1 270004a_100000225617_100000209966 [0,2,0,0,0,0|1,0,1]=4 12090 B12R1.32 CC#CC(=O)Cc1ccccn1 1458a_100000763181_100000721315 [0,2,0,0,0,0|1,0,1]=4 12091 B12R1.32 CC(CC#N)Sc1ccccn1 62a_100009813641_100011216584 [0,2,0,0,0,0|2,0,0]=4 12092 B12R1.32 CC(CC#N)Sc1ccccn1 62a_100011216584_100009813641 [0,2,0,0,0,0|2,0,0]=4 12093 B12R1.32 CC(CCO)Sc1ccccn1 62a_100009893172_100011216584 [0,2,0,0,0,0|2,0,0]=4 12094 B12R1.32 CC(CCO)Sc1ccccn1 62a_100011216584_100009893172 [0,2,0,0,0,0|2,0,0]=4 12095 B12R1.32 CC(CN[13CH3])Oc1ccccc1 2230a_100000755676_200025704644 [0,2,0,0,0,0|1,0,0]=3 12096 B12R1.32 CC(CN[13CH3])Oc1ccccc1 34a_100000755676_200025704644 [0,2,0,0,0,0|1,0,0]=3 12097 B12R1.32 CC(CN[13CH3])Oc1cccnc1 2230a_200011219418_200025704644 [0,2,0,0,0,0|2,0,0]=4 12098 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [0,2,0,0,0,0|2,0,0]=4 12099 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [0,2,0,0,0,0|2,0,0]=4 12100 B12R1.32 CC(CO[13CH3])Oc1ccccc1 34a_200000036796_200025704644 [0,2,0,0,0,0|2,0,0]=4 12101 B12R1.32 CC(CO[13CH3])Oc1ccccc1 7a_200000036796_200025704644 [0,2,0,0,0,0|2,0,0]=4 12102 B12R1.32 CC(Cc1ccccc1)OCF 34a_100000748627_100015361967 [0,2,0,0,0,0|2,0,0]=4 12103 B12R1.32 CC(Cc1ccccc1)OCF 7a_100000748627_100015361967 [0,2,0,0,0,0|2,0,0]=4 12104 B12R1.32 CC(Cc1ccccc1)SCF 62a_100015361967_200011218536 [0,2,0,0,0,0|2,0,0]=4 12105 B12R1.32 CC(Cc1ccccc1)SCF 62a_200011218536_100015361967 [0,2,0,0,0,0|2,0,0]=4 12106 B12R1.32 CC=CC(=O)Cc1ccccn1 1458a_100000210699_100000721315 [0,2,0,0,0,0|1,0,1]=4 12107 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [0,2,0,0,0,0|2,0,0]=4 12108 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000211992_100000721315 [0,2,0,0,0,0|1,0,0]=3 12109 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000233486_100000210303 [0,2,0,0,0,0|1,0,0]=3 12110 B12R1.32 CCCC(=O)Cc1cccnn1 1458a_100000211992_100016990269 [0,2,0,0,0,0|2,0,0]=4 12111 B12R1.32 CCCC(=O)Cc1cnccn1 1458a_100000211992_100016995436 [0,2,0,0,0,0|2,0,0]=4 12112 B12R1.32 CCCC(=O)Cc1ncccn1 1458a_100000211992_100000703007 [0,2,0,0,0,0|2,0,0]=4 12113 B12R1.32 CCCC(C)Nc1ccccc1 34a_100000106764_100000766640 [0,2,0,0,0,0|2,0,0]=4 12114 B12R1.32 CCCC(C)Nc1cccnn1 27a_100000741246_100016991348 [0,2,0,0,0,0|2,0,0]=4 12115 B12R1.32 CCCC(C)Nc1ccncn1 27a_100000741246_100000703185 [0,2,0,0,0,0|2,0,0]=4 12116 B12R1.32 CCCC(C)Nc1cnccn1 27a_100000741246_100000211759 [0,2,0,0,0,0|2,0,0]=4 12117 B12R1.32 CCCC(C)Nc1ncccn1 27a_100000741246_100000211032 [0,2,0,0,0,0|2,0,0]=4 12118 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [0,2,0,0,0,0|2,0,0]=4 12119 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [0,2,0,0,0,0|2,0,0]=4 12120 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000719477_100000766640 [0,2,0,0,0,0|2,0,0]=4 12121 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000766640_100000041952 [0,2,0,0,0,0|2,0,0]=4 12122 B12R1.32 CCCC(C)Sc1ccccn1 62a_100000766640_100011216584 [0,2,0,0,0,0|1,0,0]=3 12123 B12R1.32 CCCC(C)Sc1ccccn1 62a_100011216584_100000766640 [0,2,0,0,0,0|1,0,0]=3 12124 B12R1.32 CCCC(C)Sc1cccnn1 62a_100000766640_100016991348 [0,2,0,0,0,0|2,0,0]=4 12125 B12R1.32 CCCC(C)Sc1cccnn1 62a_100016991348_100000766640 [0,2,0,0,0,0|2,0,0]=4 12126 B12R1.32 CCCC(C)Sc1ccncn1 62a_100000703185_100000766640 [0,2,0,0,0,0|2,0,0]=4 12127 B12R1.32 CCCC(C)Sc1ccncn1 62a_100000766640_100000703185 [0,2,0,0,0,0|2,0,0]=4 12128 B12R1.32 CCCC(C)Sc1cnccn1 62a_100000211759_100000766640 [0,2,0,0,0,0|2,0,0]=4 12129 B12R1.32 CCCC(C)Sc1cnccn1 62a_100000766640_100000211759 [0,2,0,0,0,0|2,0,0]=4 12130 B12R1.32 CCCC(C)Sc1ncccn1 62a_100000211032_100000766640 [0,2,0,0,0,0|2,0,0]=4 12131 B12R1.32 CCCC(C)Sc1ncccn1 62a_100000766640_100000211032 [0,2,0,0,0,0|2,0,0]=4 12132 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000184400_200000210301 [0,2,0,0,0,0|2,0,0]=4 12133 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000186898_100000210303 [0,2,0,0,0,0|2,0,0]=4 12134 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000747261_100015291786 [0,2,0,0,0,0|2,0,0]=4 12135 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000184400_200000210301 [0,2,0,0,0,0|2,0,0]=4 12136 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000186898_100000210303 [0,2,0,0,0,0|2,0,0]=4 12137 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000747261_100000211182 [0,2,0,0,0,0|2,0,0]=4 12138 B12R1.32 CCCN(C)Cc1ccccc1 270004a_100000747261_100015611070 [0,2,0,0,0,0|2,0,0]=4 12139 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100000207498_100000210303 [0,2,0,0,0,0|1,0,0]=3 12140 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100000747261_100000721315 [0,2,0,0,0,0|1,0,0]=3 12141 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100160999930_200000210301 [0,2,0,0,0,0|1,0,0]=3 12142 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100000207498_100000210303 [0,2,0,0,0,0|1,0,0]=3 12143 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100000747261_100000721315 [0,2,0,0,0,0|1,0,0]=3 12144 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100160999930_200000210301 [0,2,0,0,0,0|1,0,0]=3 12145 B12R1.32 CCCN(C)Cc1ccccn1 270004a_100000747261_100000209966 [0,2,0,0,0,0|1,0,0]=3 12146 B12R1.32 CCCN(C)Cc1cccnn1 2230a_100000747261_100016990269 [0,2,0,0,0,0|2,0,0]=4 12147 B12R1.32 CCCN(C)Cc1cnccn1 2230a_100000747261_100016995436 [0,2,0,0,0,0|2,0,0]=4 12148 B12R1.32 CCCN(C)Cc1cnccn1 2230a_100011269079_100000210303 [0,2,0,0,0,0|2,0,0]=4 12149 B12R1.32 CCCN(C)Cc1cnccn1 269982a_100000747261_100016995436 [0,2,0,0,0,0|2,0,0]=4 12150 B12R1.32 CCCN(C)Cc1cnccn1 269982a_100011269079_100000210303 [0,2,0,0,0,0|2,0,0]=4 12151 B12R1.32 CCCN(C)Cc1cnccn1 270004a_100000747261_100000749867 [0,2,0,0,0,0|2,0,0]=4 12152 B12R1.32 CCCN(C)Cc1ncccn1 2230a_100000747261_100000703007 [0,2,0,0,0,0|2,0,0]=4 12153 B12R1.32 CCCN(C)Cc1ncccn1 2230a_100025716638_100000210303 [0,2,0,0,0,0|2,0,0]=4 12154 B12R1.32 CCCN(C)Cc1ncccn1 269982a_100000747261_100000703007 [0,2,0,0,0,0|2,0,0]=4 12155 B12R1.32 CCCN(C)Cc1ncccn1 269982a_100025716638_100000210303 [0,2,0,0,0,0|2,0,0]=4 12156 B12R1.32 CCCN(C)Cc1ncccn1 270004a_100000747261_100011532527 [0,2,0,0,0,0|2,0,0]=4 12157 B12R1.32 CCCN([13CH3])Cc1ccccc1 2230a_100000184400_200025704644 [0,2,0,0,0,0|2,0,0]=4 12158 B12R1.32 CCCN([13CH3])Cc1ccccc1 269982a_100000184400_200025704644 [0,2,0,0,0,0|2,0,0]=4 12159 B12R1.32 CCCN([13CH3])Cc1ccccn1 2230a_100160999930_200025704644 [0,2,0,0,0,0|1,0,0]=3 12160 B12R1.32 CCCN([13CH3])Cc1ccccn1 269982a_100160999930_200025704644 [0,2,0,0,0,0|1,0,0]=3 12161 B12R1.32 CCNC(=O)Cc1ccccn1 11a_100015525214_100000233486 [0,2,0,0,0,0|0,0,1]=3 12162 B12R1.32 CCNC(=O)Cc1cnccn1 11a_100015525214_100000726051 [0,2,0,0,0,0|1,0,1]=4 12163 B12R1.32 CCNC(=O)Cc1cnccn1 240690a_100015525214_100000726051 [0,2,0,0,0,0|1,0,1]=4 12164 B12R1.32 CCNC(=O)Cc1cnccn1 527a_100015525214_100000726051 [0,2,0,0,0,0|1,0,1]=4 12165 B12R1.32 CCNC(C)C[n+]1ccccc1 270004a_100015525214_100000034229 [0,2,0,0,0,0|2,0,0]=4 12166 B12R1.32 CCNC(C)Cc1ccccn1 2230a_100000238496_100000210202 [0,2,0,0,0,0|0,0,0]=2 12167 B12R1.32 CCNC(C)Cc1cccnc1 2230a_100011207255_100000210202 [0,2,0,0,0,0|2,0,0]=4 12168 B12R1.32 CCNC(C)Cc1cccnc1 270004a_100015525214_100015187140 [0,2,0,0,0,0|2,0,0]=4 12169 B12R1.32 CCNC(C)Cc1ccncc1 270004a_100015525214_100000238508 [0,2,0,0,0,0|2,0,0]=4 12170 B12R1.32 CCNC(C)Cc1cnccn1 2230a_100011277835_100000210202 [0,2,0,0,0,0|1,0,0]=3 12171 B12R1.32 CCNC(C)Cc1cnccn1 270004a_100015525214_100015184882 [0,2,0,0,0,0|1,0,0]=3 12172 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [0,2,0,0,0,0|2,0,0]=4 12173 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [0,2,0,0,0,0|2,0,0]=4 12174 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [0,2,0,0,0,0|2,0,0]=4 12175 B12R1.32 CCSC(C)Cc1ccccc1 62a_100000210202_200011218536 [0,2,0,0,0,0|2,0,0]=4 12176 B12R1.32 CCSC(C)Cc1ccccc1 62a_200011218536_100000210202 [0,2,0,0,0,0|2,0,0]=4 12177 B12R1.32 CN(CC#N)Cc1ccccn1 2230a_100000207498_100011215382 [0,2,0,0,0,0|2,0,0]=4 12178 B12R1.32 CN(CC#N)Cc1ccccn1 2230a_100000748184_100000721315 [0,2,0,0,0,0|2,0,0]=4 12179 B12R1.32 CN(CC#N)Cc1ccccn1 269982a_100000207498_100011214920 [0,2,0,0,0,0|2,0,0]=4 12180 B12R1.32 CN(CC=O)Cc1ccccn1 2230a_100000207498_200015260668 [0,2,0,0,0,0|2,0,0]=4 12181 B12R1.32 CN(CC=O)Cc1ccccn1 269982a_100000207498_200015260668 [0,2,0,0,0,0|2,0,0]=4 12182 B12R1.32 CN(CCF)Cc1ccccn1 2230a_100000207498_100011217306 [0,2,0,0,0,0|2,0,0]=4 12183 B12R1.32 CN(CCF)Cc1ccccn1 269982a_100000207498_100011217306 [0,2,0,0,0,0|2,0,0]=4 12184 B12R1.32 CN(CCO)Cc1ccccn1 2230a_100000207498_100000211926 [0,2,0,0,0,0|2,0,0]=4 12185 B12R1.32 CN(CCO)Cc1ccccn1 2230a_100000210263_100000721315 [0,2,0,0,0,0|2,0,0]=4 12186 B12R1.32 CN(CCO)Cc1ccccn1 269982a_100000207498_100000211926 [0,2,0,0,0,0|2,0,0]=4 12187 B12R1.32 CN(CCO)Cc1ccccn1 269982a_100000210263_100000721315 [0,2,0,0,0,0|2,0,0]=4 12188 B12R1.32 CN(CCO)Cc1ccccn1 270004a_100000210263_100000209966 [0,2,0,0,0,0|2,0,0]=4 12189 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [0,2,0,0,0,0|1,0,0]=3 12190 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [0,2,0,0,0,0|1,0,0]=3 12191 B12R1.32 CNCC(=O)Nc1ccccc1 2230a_106832991635_100000182850 [0,2,0,0,0,0|1,0,1]=4 12192 B12R1.32 CNCC(=O)Nc1ccccc1 34a_100102657272_100000182850 [0,2,0,0,0,0|1,0,1]=4 12193 B12R1.32 CNCC(=O)Nc1ccccc1 7a_106832991635_100000182850 [0,2,0,0,0,0|1,0,1]=4 12194 B12R1.32 CNCC(=O)Nc1ccccn1 2230a_106832991635_100020662008 [0,2,0,0,0,0|0,0,1]=3 12195 B12R1.32 CNCC(=O)Nc1ccccn1 7a_106832991635_100020662008 [0,2,0,0,0,0|0,0,1]=3 12196 B12R1.32 CNCC(=O)Nc1ncccn1 7a_106832991635_100000183248 [0,2,0,0,0,0|1,0,1]=4 12197 B12R1.32 CNCC(=O)Oc1ccccc1 2230a_106832991635_100009813826 [0,2,0,0,0,0|1,0,1]=4 12198 B12R1.32 CNCC(=O)Oc1ccccc1 34a_100102657272_100009813826 [0,2,0,0,0,0|1,0,1]=4 12199 B12R1.32 CNCC(=O)Oc1ccccc1 7a_106832991635_100009813826 [0,2,0,0,0,0|1,0,1]=4 12200 B12R1.32 CNCC(C)Oc1ccccc1 2230a_100000755676_200000210301 [0,2,0,0,0,0|1,0,0]=3 12201 B12R1.32 CNCC(C)Oc1ccccc1 34a_100000755676_200000210301 [0,2,0,0,0,0|1,0,0]=3 12202 B12R1.32 CNCC(C)Oc1cccnc1 2230a_200011219418_200000210301 [0,2,0,0,0,0|2,0,0]=4 12203 B12R1.32 CNCC(O)Cc1ccccc1 2230a_100000752270_200000210301 [0,2,0,0,0,0|1,0,0]=3 12204 B12R1.32 CNC[C@@H](O)Cc1ccccc1 2230a_106832991635_100000729385 [0,2,0,0,0,0|1,0,0]=3 12205 B12R1.32 CNC[C@@H](O)Cc1ccccc1 34a_100102657272_100000729385 [0,2,0,0,0,0|1,0,0]=3 12206 B12R1.32 CNC[C@@H](O)Cc1ccccc1 7a_106832991635_100000729385 [0,2,0,0,0,0|1,0,0]=3 12207 B12R1.32 CNNC(=O)Cc1ccccn1 22a_100016993582_100000233486 [0,2,0,0,0,0|0,0,1]=3 12208 B12R1.32 CNNC(=O)Cc1cnccn1 22a_100016993582_100000726051 [0,2,0,0,0,0|1,0,1]=4 12209 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [0,2,0,0,0,0|2,0,0]=4 12210 B12R1.32 COCC(=O)Cc1ccccn1 1458a_100000210968_100000721315 [0,2,0,0,0,0|1,0,0]=3 12211 B12R1.32 COCC(=O)Cc1cccnn1 1458a_100000210968_100016990269 [0,2,0,0,0,0|2,0,0]=4 12212 B12R1.32 COCC(=O)Cc1cnccn1 1458a_100000210968_100016995436 [0,2,0,0,0,0|2,0,0]=4 12213 B12R1.32 COCC(=O)Cc1ncccn1 1458a_100000210968_100000703007 [0,2,0,0,0,0|2,0,0]=4 12214 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [0,2,0,0,0,0|2,0,0]=4 12215 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [0,2,0,0,0,0|2,0,0]=4 12216 B12R1.32 COCC(C)Nc1ccccc1 34a_100000106764_100000765312 [0,2,0,0,0,0|2,0,0]=4 12217 B12R1.32 COCC(C)Oc1ccccc1 34a_100000210340_100000765312 [0,2,0,0,0,0|2,0,0]=4 12218 B12R1.32 COCC(C)Oc1ccccc1 34a_200000036796_200000210301 [0,2,0,0,0,0|2,0,0]=4 12219 B12R1.32 COCC(C)Oc1ccccc1 7a_100000210340_100000765312 [0,2,0,0,0,0|2,0,0]=4 12220 B12R1.32 COCC(C)Oc1ccccc1 7a_200000036796_200000210301 [0,2,0,0,0,0|2,0,0]=4 12221 B12R1.32 COCC(C)Sc1ccccc1 62a_100000719477_100000765312 [0,2,0,0,0,0|2,0,0]=4 12222 B12R1.32 COCC(C)Sc1ccccc1 62a_100000765312_100000041952 [0,2,0,0,0,0|2,0,0]=4 12223 B12R1.32 COCC(C)Sc1ccccn1 62a_100000765312_100011216584 [0,2,0,0,0,0|1,0,0]=3 12224 B12R1.32 COCC(C)Sc1ccccn1 62a_100011216584_100000765312 [0,2,0,0,0,0|1,0,0]=3 12225 B12R1.32 COCC(C)Sc1cccnn1 62a_100000765312_100016991348 [0,2,0,0,0,0|2,0,0]=4 12226 B12R1.32 COCC(C)Sc1cccnn1 62a_100016991348_100000765312 [0,2,0,0,0,0|2,0,0]=4 12227 B12R1.32 COCC(C)Sc1ccncn1 62a_100000703185_100000765312 [0,2,0,0,0,0|2,0,0]=4 12228 B12R1.32 COCC(C)Sc1ccncn1 62a_100000765312_100000703185 [0,2,0,0,0,0|2,0,0]=4 12229 B12R1.32 COCC(C)Sc1cnccn1 62a_100000211759_100000765312 [0,2,0,0,0,0|2,0,0]=4 12230 B12R1.32 COCC(C)Sc1cnccn1 62a_100000765312_100000211759 [0,2,0,0,0,0|2,0,0]=4 12231 B12R1.32 COCC(C)Sc1ncccn1 62a_100000211032_100000765312 [0,2,0,0,0,0|2,0,0]=4 12232 B12R1.32 COCC(C)Sc1ncccn1 62a_100000765312_100000211032 [0,2,0,0,0,0|2,0,0]=4 12233 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [0,2,0,0,0,0|2,0,0]=4 12234 B12R1.32 COCN(C)Cc1ccccc1 2230a_100000186898_100000766300 [0,2,0,0,0,0|2,0,0]=4 12235 B12R1.32 COCN(C)Cc1ccccc1 269982a_100000186898_100000766300 [0,2,0,0,0,0|2,0,0]=4 12236 B12R1.32 COCN(C)Cc1ccccn1 2230a_100000207498_100000766300 [0,2,0,0,0,0|1,0,0]=3 12237 B12R1.32 COCN(C)Cc1ccccn1 269982a_100000207498_100000766300 [0,2,0,0,0,0|1,0,0]=3 12238 B12R1.32 COCN(C)Cc1cnccn1 2230a_100011269079_100000766300 [0,2,0,0,0,0|2,0,0]=4 12239 B12R1.32 COCN(C)Cc1cnccn1 269982a_100011269079_100000766300 [0,2,0,0,0,0|2,0,0]=4 12240 B12R1.32 COCN(C)Cc1ncccn1 2230a_100025716638_100000766300 [0,2,0,0,0,0|2,0,0]=4 12241 B12R1.32 COCN(C)Cc1ncccn1 269982a_100025716638_100000766300 [0,2,0,0,0,0|2,0,0]=4 12242 B12R1.32 COC[C@@H](C)Nc1cccnn1 27a_100000764878_100016991348 [0,2,0,0,0,0|2,0,0]=4 12243 B12R1.32 COC[C@@H](C)Nc1ccncn1 27a_100000764878_100000703185 [0,2,0,0,0,0|2,0,0]=4 12244 B12R1.32 COC[C@@H](C)Nc1cnccn1 27a_100000764878_100000211759 [0,2,0,0,0,0|2,0,0]=4 12245 B12R1.32 COC[C@@H](C)Nc1ncccn1 27a_100000764878_100000211032 [0,2,0,0,0,0|2,0,0]=4 12246 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [0,2,0,0,0,0|2,0,0]=4 12247 B12R1.32 CSCC(=O)Cc1ccccc1 1458a_100000184570_100015291786 [0,2,0,0,0,0|2,0,0]=4 12248 B12R1.32 CSCC(=O)Cc1ccccc1 62a_100000233483_200000210301 [0,2,0,0,0,0|2,0,0]=4 12249 B12R1.32 CSCC(=O)Cc1ccccc1 62a_200000210301_100000233483 [0,2,0,0,0,0|2,0,0]=4 12250 B12R1.32 CSCC(=O)Cc1ccccn1 1458a_100000184570_100000721315 [0,2,0,0,0,0|1,0,0]=3 12251 B12R1.32 CSCC(=O)Cc1cccnn1 1458a_100000184570_100016990269 [0,2,0,0,0,0|2,0,0]=4 12252 B12R1.32 CSCC(=O)Cc1cnccn1 1458a_100000184570_100016995436 [0,2,0,0,0,0|2,0,0]=4 12253 B12R1.32 CSCC(=O)Cc1ncccn1 1458a_100000184570_100000703007 [0,2,0,0,0,0|2,0,0]=4 12254 B12R1.32 CSCC(=O)Nc1ccccn1 62a_100020662008_200000210301 [0,2,0,0,0,0|1,0,1]=4 12255 B12R1.32 CSCC(=O)Nc1ccccn1 62a_200000210301_100020662008 [0,2,0,0,0,0|1,0,1]=4 12256 B12R1.32 CSCN(C)Cc1ccccc1 2230a_100000186898_100011218213 [0,2,0,0,0,0|2,0,0]=4 12257 B12R1.32 CSCN(C)Cc1ccccc1 269982a_100000186898_100011218213 [0,2,0,0,0,0|2,0,0]=4 12258 B12R1.32 CSCN(C)Cc1ccccn1 2230a_100000207498_100011218213 [0,2,0,0,0,0|1,0,0]=3 12259 B12R1.32 CSCN(C)Cc1ccccn1 269982a_100000207498_100011218213 [0,2,0,0,0,0|1,0,0]=3 12260 B12R1.32 CSCN(C)Cc1cnccn1 2230a_100011269079_100011218213 [0,2,0,0,0,0|2,0,0]=4 12261 B12R1.32 CSCN(C)Cc1cnccn1 269982a_100011269079_100011218213 [0,2,0,0,0,0|2,0,0]=4 12262 B12R1.32 CSCN(C)Cc1ncccn1 2230a_100025716638_100011218213 [0,2,0,0,0,0|2,0,0]=4 12263 B12R1.32 CSCN(C)Cc1ncccn1 269982a_100025716638_100011218213 [0,2,0,0,0,0|2,0,0]=4 12264 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_100000729385_200000210301 [0,2,0,0,0,0|2,0,0]=4 12265 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_200000210301_100000729385 [0,2,0,0,0,0|2,0,0]=4 12266 B12R1.32 N#CCC(=O)Cc1ccccn1 1458a_100000233486_100011214920 [0,2,0,0,0,0|2,0,0]=4 12267 B12R1.32 N#CCC(=O)Cc1ccccn1 1458a_100051588842_100000721315 [0,2,0,0,0,0|2,0,0]=4 12268 B12R1.32 O=C(CCF)Cc1ccccn1 1458a_100000233486_100011217306 [0,2,0,0,0,0|1,0,1]=4 12269 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100000233486_100000211926 [0,2,0,0,0,0|1,0,1]=4 12270 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100011216618_100000721315 [0,2,0,0,0,0|1,0,1]=4 12271 B12R1.32 [13CH3]NCC(O)Cc1ccccc1 2230a_100000752270_200025704644 [0,2,0,0,0,0|1,0,0]=3 12272 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [0,2,0,0,0,0|2,0,0]=4 12273 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_100000233483_200025704644 [0,2,0,0,0,0|2,0,0]=4 12274 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_200025704644_100000233483 [0,2,0,0,0,0|2,0,0]=4 12275 B12R1.32 [13CH3]SCC(=O)Nc1ccccn1 62a_100020662008_200025704644 [0,2,0,0,0,0|1,0,1]=4 12276 B12R1.32 [13CH3]SCC(=O)Nc1ccccn1 62a_200025704644_100020662008 [0,2,0,0,0,0|1,0,1]=4 12277 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_100000729385_200025704644 [0,2,0,0,0,0|2,0,0]=4 12278 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_200025704644_100000729385 [0,2,0,0,0,0|2,0,0]=4 12279 B12R1.252 C=C(C)CCNc1ccccc1 34a_100000106764_100000730704 [0,2,0,0,0,0|2,0,0]=4 12280 B12R1.252 C=C(C)CCOc1ccccc1 34a_100000210340_100000730704 [0,2,0,0,0,0|2,0,0]=4 12281 B12R1.252 C=C(C)CCOc1ccccc1 7a_100000210340_100000730704 [0,2,0,0,0,0|2,0,0]=4 12282 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000719477_100000730704 [0,2,0,0,0,0|2,0,0]=4 12283 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000730704_100000041952 [0,2,0,0,0,0|2,0,0]=4 12284 B12R1.252 C=C(C)CCSc1ccccn1 62a_100000730704_100011216584 [0,2,0,0,0,0|1,0,0]=3 12285 B12R1.252 C=C(C)CCSc1ccccn1 62a_100011216584_100000730704 [0,2,0,0,0,0|1,0,0]=3 12286 B12R1.252 C=C(C)CCSc1cccnn1 62a_100000730704_100016991348 [0,2,0,0,0,0|2,0,0]=4 12287 B12R1.252 C=C(C)CCSc1cccnn1 62a_100016991348_100000730704 [0,2,0,0,0,0|2,0,0]=4 12288 B12R1.252 C=C(C)CCSc1ccncn1 62a_100000703185_100000730704 [0,2,0,0,0,0|2,0,0]=4 12289 B12R1.252 C=C(C)CCSc1ccncn1 62a_100000730704_100000703185 [0,2,0,0,0,0|2,0,0]=4 12290 B12R1.252 C=C(C)CCSc1cnccn1 62a_100000211759_100000730704 [0,2,0,0,0,0|2,0,0]=4 12291 B12R1.252 C=C(C)CCSc1cnccn1 62a_100000730704_100000211759 [0,2,0,0,0,0|2,0,0]=4 12292 B12R1.252 C=C(C)CCSc1ncccn1 62a_100000211032_100000730704 [0,2,0,0,0,0|2,0,0]=4 12293 B12R1.252 C=C(C)CCSc1ncccn1 62a_100000730704_100000211032 [0,2,0,0,0,0|2,0,0]=4 12294 B12R1.252 C=C(C)CNCc1ccccc1 2230a_100015324214_100000748629 [0,2,0,0,0,0|2,0,0]=4 12295 B12R1.252 C=C(C)CNCc1ccccc1 34a_100015324214_100000748629 [0,2,0,0,0,0|2,0,0]=4 12296 B12R1.252 C=C(C)CNCc1cccnn1 2230a_100159270163_100000748629 [0,2,0,0,0,0|2,0,0]=4 12297 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210245_100015291786 [0,2,0,0,0,0|2,0,0]=4 12298 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210790_100000748629 [0,2,0,0,0,0|2,0,0]=4 12299 B12R1.252 C=C(C)COCc1ccccc1 7a_100000210790_100000748629 [0,2,0,0,0,0|2,0,0]=4 12300 B12R1.252 C=C(C)COCc1ccccn1 34a_100000210245_100000721315 [0,2,0,0,0,0|1,0,0]=3 12301 B12R1.252 C=C(C)COCc1cccnn1 34a_100000210245_100016990269 [0,2,0,0,0,0|2,0,0]=4 12302 B12R1.252 C=C(C)COCc1cnccn1 34a_100000210245_100016995436 [0,2,0,0,0,0|2,0,0]=4 12303 B12R1.252 C=C(C)COCc1ncccn1 34a_100000210245_100000703007 [0,2,0,0,0,0|2,0,0]=4 12304 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000211182_100000211660 [0,2,0,0,0,0|2,0,0]=4 12305 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000748629_100015291786 [0,2,0,0,0,0|2,0,0]=4 12306 B12R1.252 C=C(C)CSCc1ccccn1 62a_100000721315_100000211660 [0,2,0,0,0,0|1,0,0]=3 12307 B12R1.252 C=C(C)CSCc1ccccn1 62a_100000748629_100000721315 [0,2,0,0,0,0|1,0,0]=3 12308 B12R1.252 C=C(C)CSCc1cccnn1 62a_100000748629_100016990269 [0,2,0,0,0,0|2,0,0]=4 12309 B12R1.252 C=C(C)CSCc1cccnn1 62a_100016990269_100000211660 [0,2,0,0,0,0|2,0,0]=4 12310 B12R1.252 C=C(C)CSCc1cnccn1 62a_100000748629_100016995436 [0,2,0,0,0,0|2,0,0]=4 12311 B12R1.252 C=C(C)CSCc1cnccn1 62a_100016995436_100000211660 [0,2,0,0,0,0|2,0,0]=4 12312 B12R1.252 C=C(C)CSCc1ncccn1 62a_100000703007_100000211660 [0,2,0,0,0,0|2,0,0]=4 12313 B12R1.252 C=C(C)CSCc1ncccn1 62a_100000748629_100000703007 [0,2,0,0,0,0|2,0,0]=4 12314 B12R1.252 C=C(F)COCc1ccccn1 34a_200010262243_100000721315 [0,2,0,0,0,0|1,0,1]=4 12315 B12R1.252 C=C(F)CSCc1ccccn1 62a_100000042424_100000721315 [0,2,0,0,0,0|1,0,1]=4 12316 B12R1.252 C=C(F)CSCc1ccccn1 62a_100000721315_100000042424 [0,2,0,0,0,0|1,0,1]=4 12317 B12R1.252 CC(=CCSc1ccccn1)C 62a_100000761012_100011216584 [0,2,0,0,0,0|1,0,1]=4 12318 B12R1.252 CC(=CCSc1ccccn1)C 62a_100011216584_100000761012 [0,2,0,0,0,0|1,0,1]=4 12319 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,2,0,0,0,0|2,0,0]=4 12320 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,2,0,0,0,0|2,0,0]=4 12321 B12R1.252 CC(=O)CCCc1ccccn1 1458a_100000752327_200000210301 [0,2,0,0,0,0|1,0,0]=3 12322 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [0,2,0,0,0,0|2,0,0]=4 12323 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [0,2,0,0,0,0|2,0,0]=4 12324 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [0,2,0,0,0,0|2,0,0]=4 12325 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [0,2,0,0,0,0|2,0,0]=4 12326 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [0,2,0,0,0,0|2,0,0]=4 12327 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [0,2,0,0,0,0|2,0,0]=4 12328 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [0,2,0,0,0,0|2,0,0]=4 12329 B12R1.252 CC(=O)CCSc1ccccn1 62a_100000053229_100011216584 [0,2,0,0,0,0|1,0,0]=3 12330 B12R1.252 CC(=O)CCSc1ccccn1 62a_100011216584_100000053229 [0,2,0,0,0,0|1,0,0]=3 12331 B12R1.252 CC(=O)CCSc1cccnn1 62a_100000053229_100016991348 [0,2,0,0,0,0|2,0,0]=4 12332 B12R1.252 CC(=O)CCSc1cccnn1 62a_100016991348_100000053229 [0,2,0,0,0,0|2,0,0]=4 12333 B12R1.252 CC(=O)CCSc1ccncn1 62a_100000053229_100000703185 [0,2,0,0,0,0|2,0,0]=4 12334 B12R1.252 CC(=O)CCSc1ccncn1 62a_100000703185_100000053229 [0,2,0,0,0,0|2,0,0]=4 12335 B12R1.252 CC(=O)CCSc1cnccn1 62a_100000053229_100000211759 [0,2,0,0,0,0|2,0,0]=4 12336 B12R1.252 CC(=O)CCSc1cnccn1 62a_100000211759_100000053229 [0,2,0,0,0,0|2,0,0]=4 12337 B12R1.252 CC(=O)CCSc1ncccn1 62a_100000053229_100000211032 [0,2,0,0,0,0|2,0,0]=4 12338 B12R1.252 CC(=O)CCSc1ncccn1 62a_100000211032_100000053229 [0,2,0,0,0,0|2,0,0]=4 12339 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [0,2,0,0,0,0|2,0,0]=4 12340 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [0,2,0,0,0,0|2,0,0]=4 12341 B12R1.252 CC(=O)COCc1ccccn1 34a_100000211253_100000721315 [0,2,0,0,0,0|1,0,0]=3 12342 B12R1.252 CC(=O)COCc1cccnn1 34a_100000211253_100016990269 [0,2,0,0,0,0|2,0,0]=4 12343 B12R1.252 CC(=O)COCc1cnccn1 34a_100000211253_100016995436 [0,2,0,0,0,0|2,0,0]=4 12344 B12R1.252 CC(=O)COCc1ncccn1 34a_100000211253_100000703007 [0,2,0,0,0,0|2,0,0]=4 12345 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [0,2,0,0,0,0|2,0,0]=4 12346 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [0,2,0,0,0,0|2,0,0]=4 12347 B12R1.252 CC(=O)CSCc1ccccn1 1458a_100000742634_200000210301 [0,2,0,0,0,0|1,0,0]=3 12348 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [0,2,0,0,0,0|1,0,0]=3 12349 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [0,2,0,0,0,0|1,0,0]=3 12350 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [0,2,0,0,0,0|1,0,0]=3 12351 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [0,2,0,0,0,0|1,0,0]=3 12352 B12R1.252 CC(=O)NCCc1ccccn1 11a_100000211156_100015343762 [0,2,0,0,0,0|0,0,0]=2 12353 B12R1.252 CC(=O)NCCc1ccccn1 1626a_100000211156_100015343762 [0,2,0,0,0,0|0,0,0]=2 12354 B12R1.252 CC(=O)NCCc1ccccn1 240690a_100000211156_100015343762 [0,2,0,0,0,0|0,0,0]=2 12355 B12R1.252 CC(=O)NCCc1ccccn1 527a_100000211156_100103153847 [0,2,0,0,0,0|0,0,0]=2 12356 B12R1.252 CC(=O)NCCc1cccnc1 11a_100000736294_100015343762 [0,2,0,0,0,0|2,0,0]=4 12357 B12R1.252 CC(=O)NCCc1cccnc1 1626a_100000736294_100015343762 [0,2,0,0,0,0|2,0,0]=4 12358 B12R1.252 CC(=O)NCCc1cccnc1 240690a_100000736294_100015343762 [0,2,0,0,0,0|2,0,0]=4 12359 B12R1.252 CC(=O)NCCc1cccnc1 527a_100000736294_100103153847 [0,2,0,0,0,0|2,0,0]=4 12360 B12R1.252 CC(=O)NCCc1ccncc1 11a_100000742849_100015343762 [0,2,0,0,0,0|2,0,0]=4 12361 B12R1.252 CC(=O)NCCc1ccncc1 1626a_100000742849_100015343762 [0,2,0,0,0,0|2,0,0]=4 12362 B12R1.252 CC(=O)NCCc1ccncc1 240690a_100000742849_100015343762 [0,2,0,0,0,0|2,0,0]=4 12363 B12R1.252 CC(=O)NCCc1ccncc1 527a_100000742849_100103153847 [0,2,0,0,0,0|2,0,0]=4 12364 B12R1.252 CC(=O)NCCc1cnccn1 11a_100000723456_100015343762 [0,2,0,0,0,0|1,0,0]=3 12365 B12R1.252 CC(=O)NCCc1cnccn1 1626a_100000723456_100015343762 [0,2,0,0,0,0|1,0,0]=3 12366 B12R1.252 CC(=O)NCCc1cnccn1 240690a_100000723456_100015343762 [0,2,0,0,0,0|1,0,0]=3 12367 B12R1.252 CC(=O)NCCc1cnccn1 527a_100000723456_100103153847 [0,2,0,0,0,0|1,0,0]=3 12368 B12R1.252 CC(=O)NN=Cc1ccccn1 4a_100000189765_100000209966 [0,2,0,0,0,0|1,0,1]=4 12369 B12R1.252 CC(=O)NNCc1ccccc1 22a_100000007032_100000070787 [0,2,0,0,0,0|2,0,0]=4 12370 B12R1.252 CC(=O)NNCc1ccccn1 22a_100000736832_100000070787 [0,2,0,0,0,0|1,0,0]=3 12371 B12R1.252 CC(=O)OCSc1ccccn1 62a_100000076356_100011216584 [0,2,0,0,0,0|2,0,0]=4 12372 B12R1.252 CC(=O)OCSc1ccccn1 62a_100011216584_100000076356 [0,2,0,0,0,0|2,0,0]=4 12373 B12R1.252 CC(Br)COCc1ccccc1 34a_100012180447_100015291786 [0,2,0,0,0,0|2,0,0]=4 12374 B12R1.252 CC(Br)COCc1ccccn1 34a_100012180447_100000721315 [0,2,0,0,0,0|1,0,0]=3 12375 B12R1.252 CC(Br)COCc1cccnn1 34a_100012180447_100016990269 [0,2,0,0,0,0|2,0,0]=4 12376 B12R1.252 CC(Br)COCc1cnccn1 34a_100012180447_100016995436 [0,2,0,0,0,0|2,0,0]=4 12377 B12R1.252 CC(Br)COCc1ncccn1 34a_100012180447_100000703007 [0,2,0,0,0,0|2,0,0]=4 12378 B12R1.252 CC(C)CC=Cc1ccccn1 271570a_100016259101_100011216584 [0,2,0,0,0,0|1,0,1]=4 12379 B12R1.252 CC(C)CCNc1ccccc1 34a_100000106764_100000210312 [0,2,0,0,0,0|2,0,0]=4 12380 B12R1.252 CC(C)CCNc1cccnn1 27a_100000210545_100016991348 [0,2,0,0,0,0|2,0,0]=4 12381 B12R1.252 CC(C)CCNc1ccncn1 27a_100000210545_100000703185 [0,2,0,0,0,0|2,0,0]=4 12382 B12R1.252 CC(C)CCNc1cnccn1 27a_100000210545_100000211759 [0,2,0,0,0,0|2,0,0]=4 12383 B12R1.252 CC(C)CCNc1ncccn1 27a_100000210545_100000211032 [0,2,0,0,0,0|2,0,0]=4 12384 B12R1.252 CC(C)CCOc1ccccc1 34a_100000210340_100000210312 [0,2,0,0,0,0|2,0,0]=4 12385 B12R1.252 CC(C)CCOc1ccccc1 7a_100000210340_100000210626 [0,2,0,0,0,0|2,0,0]=4 12386 B12R1.252 CC(C)CCSc1ccccc1 62a_100000210312_100000041952 [0,2,0,0,0,0|2,0,0]=4 12387 B12R1.252 CC(C)CCSc1ccccc1 62a_100000719477_100000210312 [0,2,0,0,0,0|2,0,0]=4 12388 B12R1.252 CC(C)CCSc1ccccn1 62a_100000210312_100011216584 [0,2,0,0,0,0|1,0,0]=3 12389 B12R1.252 CC(C)CCSc1ccccn1 62a_100011216584_100000210312 [0,2,0,0,0,0|1,0,0]=3 12390 B12R1.252 CC(C)CCSc1cccnn1 62a_100000210312_100016991348 [0,2,0,0,0,0|2,0,0]=4 12391 B12R1.252 CC(C)CCSc1cccnn1 62a_100016991348_100000210312 [0,2,0,0,0,0|2,0,0]=4 12392 B12R1.252 CC(C)CCSc1ccncn1 62a_100000210312_100000703185 [0,2,0,0,0,0|2,0,0]=4 12393 B12R1.252 CC(C)CCSc1ccncn1 62a_100000703185_100000210312 [0,2,0,0,0,0|2,0,0]=4 12394 B12R1.252 CC(C)CCSc1cnccn1 62a_100000210312_100000211759 [0,2,0,0,0,0|2,0,0]=4 12395 B12R1.252 CC(C)CCSc1cnccn1 62a_100000211759_100000210312 [0,2,0,0,0,0|2,0,0]=4 12396 B12R1.252 CC(C)CCSc1ncccn1 62a_100000210312_100000211032 [0,2,0,0,0,0|2,0,0]=4 12397 B12R1.252 CC(C)CCSc1ncccn1 62a_100000211032_100000210312 [0,2,0,0,0,0|2,0,0]=4 12398 B12R1.252 CC(C)CNCc1ccccc1 207a_100000210953_100015611070 [0,2,0,0,0,0|2,0,0]=4 12399 B12R1.252 CC(C)CNCc1ccccc1 2230a_100000210953_100015291786 [0,2,0,0,0,0|2,0,0]=4 12400 B12R1.252 CC(C)CNCc1ccccc1 2230a_100015324214_100000210760 [0,2,0,0,0,0|2,0,0]=4 12401 B12R1.252 CC(C)CNCc1ccccc1 270004a_100000210953_100015611070 [0,2,0,0,0,0|2,0,0]=4 12402 B12R1.252 CC(C)CNCc1ccccc1 270004a_100015324214_100000210432 [0,2,0,0,0,0|2,0,0]=4 12403 B12R1.252 CC(C)CNCc1ccccc1 34a_100000210953_100015291786 [0,2,0,0,0,0|2,0,0]=4 12404 B12R1.252 CC(C)CNCc1ccccc1 34a_100015324214_100000210624 [0,2,0,0,0,0|2,0,0]=4 12405 B12R1.252 CC(C)CNCc1ccccn1 207a_100000210953_100000209966 [0,2,0,0,0,0|1,0,0]=3 12406 B12R1.252 CC(C)CNCc1ccccn1 2230a_100000210953_100000721315 [0,2,0,0,0,0|1,0,0]=3 12407 B12R1.252 CC(C)CNCc1ccccn1 270004a_100000210449_100000210432 [0,2,0,0,0,0|1,0,0]=3 12408 B12R1.252 CC(C)CNCc1ccccn1 270004a_100000210953_100000209966 [0,2,0,0,0,0|1,0,0]=3 12409 B12R1.252 CC(C)CNCc1ccccn1 34a_100000210953_100000721315 [0,2,0,0,0,0|1,0,0]=3 12410 B12R1.252 CC(C)CNCc1cccnn1 2230a_100000210953_100016990269 [0,2,0,0,0,0|2,0,0]=4 12411 B12R1.252 CC(C)CNCc1cccnn1 2230a_100159270163_100000210760 [0,2,0,0,0,0|2,0,0]=4 12412 B12R1.252 CC(C)CNCc1cccnn1 34a_100000210953_100016990269 [0,2,0,0,0,0|2,0,0]=4 12413 B12R1.252 CC(C)CNCc1cnccn1 2230a_100000210953_100016995436 [0,2,0,0,0,0|2,0,0]=4 12414 B12R1.252 CC(C)CNCc1cnccn1 270004a_100000210953_100000749867 [0,2,0,0,0,0|2,0,0]=4 12415 B12R1.252 CC(C)CNCc1cnccn1 34a_100000210953_100016995436 [0,2,0,0,0,0|2,0,0]=4 12416 B12R1.252 CC(C)CNCc1ncccn1 2230a_100000210953_100000703007 [0,2,0,0,0,0|2,0,0]=4 12417 B12R1.252 CC(C)CNCc1ncccn1 270004a_100000210953_100011532527 [0,2,0,0,0,0|2,0,0]=4 12418 B12R1.252 CC(C)CNCc1ncccn1 34a_100000210953_100000703007 [0,2,0,0,0,0|2,0,0]=4 12419 B12R1.252 CC(C)COCc1ccccc1 34a_100000210257_100015291786 [0,2,0,0,0,0|2,0,0]=4 12420 B12R1.252 CC(C)COCc1ccccc1 34a_100000210790_100000210624 [0,2,0,0,0,0|2,0,0]=4 12421 B12R1.252 CC(C)COCc1ccccc1 7a_100000210790_100000210760 [0,2,0,0,0,0|2,0,0]=4 12422 B12R1.252 CC(C)COCc1ccccn1 34a_100000210257_100000721315 [0,2,0,0,0,0|1,0,0]=3 12423 B12R1.252 CC(C)COCc1cccnn1 34a_100000210257_100016990269 [0,2,0,0,0,0|2,0,0]=4 12424 B12R1.252 CC(C)COCc1cnccn1 34a_100000210257_100016995436 [0,2,0,0,0,0|2,0,0]=4 12425 B12R1.252 CC(C)COCc1ncccn1 34a_100000210257_100000703007 [0,2,0,0,0,0|2,0,0]=4 12426 B12R1.252 CC(C)CSCc1ccccc1 62a_100000210624_100015291786 [0,2,0,0,0,0|2,0,0]=4 12427 B12R1.252 CC(C)CSCc1ccccc1 62a_100000211182_100000210760 [0,2,0,0,0,0|2,0,0]=4 12428 B12R1.252 CC(C)CSCc1ccccn1 62a_100000210624_100000721315 [0,2,0,0,0,0|1,0,0]=3 12429 B12R1.252 CC(C)CSCc1ccccn1 62a_100000721315_100000210760 [0,2,0,0,0,0|1,0,0]=3 12430 B12R1.252 CC(C)CSCc1cccnn1 62a_100000210624_100016990269 [0,2,0,0,0,0|2,0,0]=4 12431 B12R1.252 CC(C)CSCc1cccnn1 62a_100016990269_100000210760 [0,2,0,0,0,0|2,0,0]=4 12432 B12R1.252 CC(C)CSCc1cnccn1 62a_100000210624_100016995436 [0,2,0,0,0,0|2,0,0]=4 12433 B12R1.252 CC(C)CSCc1cnccn1 62a_100016995436_100000210760 [0,2,0,0,0,0|2,0,0]=4 12434 B12R1.252 CC(C)CSCc1ncccn1 62a_100000210624_100000703007 [0,2,0,0,0,0|2,0,0]=4 12435 B12R1.252 CC(C)CSCc1ncccn1 62a_100000703007_100000210760 [0,2,0,0,0,0|2,0,0]=4 12436 B12R1.252 CC(C)NCCc1ccccc1 2230a_100000106460_100000210206 [0,2,0,0,0,0|1,0,0]=3 12437 B12R1.252 CC(C)NCCc1ccccc1 2230a_100138425928_100000765856 [0,2,0,0,0,0|1,0,0]=3 12438 B12R1.252 CC(C)NCCc1ccccc1 34a_100000106460_100000210206 [0,2,0,0,0,0|1,0,0]=3 12439 B12R1.252 CC(C)NCCc1ccccc1 34a_100138425928_100000765856 [0,2,0,0,0,0|1,0,0]=3 12440 B12R1.252 CC(C)NCCc1ccccn1 2230a_100138425928_100015183660 [0,2,0,0,0,0|0,0,0]=2 12441 B12R1.252 CC(C)NCCc1cccnc1 2230a_100000736294_100000210206 [0,2,0,0,0,0|2,0,0]=4 12442 B12R1.252 CC(C)NCCc1cccnc1 2230a_100138425928_200011713674 [0,2,0,0,0,0|2,0,0]=4 12443 B12R1.252 CC(C)NCCc1ccncc1 2230a_100138425928_100000723409 [0,2,0,0,0,0|2,0,0]=4 12444 B12R1.252 CC(C)NCSc1ccccc1 2230a_100138425928_100011218342 [0,2,0,0,0,0|2,0,0]=4 12445 B12R1.252 CC(C)NN=Cc1ccccn1 4a_100000741168_100000209966 [0,2,0,0,0,0|1,0,1]=4 12446 B12R1.252 CC(C)OCCc1ccccc1 34a_100000210268_100000210206 [0,2,0,0,0,0|2,0,0]=4 12447 B12R1.252 CC(C)OCCc1ccccc1 34a_100000212225_100000765856 [0,2,0,0,0,0|2,0,0]=4 12448 B12R1.252 CC(C)OCCc1ccccc1 7a_100000210268_100000210206 [0,2,0,0,0,0|2,0,0]=4 12449 B12R1.252 CC(C)OCCc1ccccn1 34a_100000210271_100000210206 [0,2,0,0,0,0|1,0,0]=3 12450 B12R1.252 CC(C)OCCc1cnccn1 34a_100011349526_100000210206 [0,2,0,0,0,0|2,0,0]=4 12451 B12R1.252 CC(C)OCSc1ccccn1 62a_100000709892_100011216584 [0,2,0,0,0,0|2,0,0]=4 12452 B12R1.252 CC(C)OCSc1ccccn1 62a_100011216584_100000709892 [0,2,0,0,0,0|2,0,0]=4 12453 B12R1.252 CC(C)SCCc1ccccc1 62a_100000210206_100011218657 [0,2,0,0,0,0|2,0,0]=4 12454 B12R1.252 CC(C)SCCc1ccccc1 62a_100000765856_100000210206 [0,2,0,0,0,0|2,0,0]=4 12455 B12R1.252 CC(C)SCCc1ccccn1 62a_100000210206_100015183660 [0,2,0,0,0,0|1,0,0]=3 12456 B12R1.252 CC(C)SCCc1ccccn1 62a_100015183660_100000210206 [0,2,0,0,0,0|1,0,0]=3 12457 B12R1.252 CC(F)COCc1ccccc1 34a_100015925927_100015291786 [0,2,0,0,0,0|2,0,0]=4 12458 B12R1.252 CC(F)COCc1ccccn1 34a_100015925927_100000721315 [0,2,0,0,0,0|1,0,0]=3 12459 B12R1.252 CC(F)COCc1cccnn1 34a_100015925927_100016990269 [0,2,0,0,0,0|2,0,0]=4 12460 B12R1.252 CC(F)COCc1cnccn1 34a_100015925927_100016995436 [0,2,0,0,0,0|2,0,0]=4 12461 B12R1.252 CC(F)COCc1ncccn1 34a_100015925927_100000703007 [0,2,0,0,0,0|2,0,0]=4 12462 B12R1.252 CC(O)CCNc1ccccc1 34a_100000106764_100012276601 [0,2,0,0,0,0|2,0,0]=4 12463 B12R1.252 CC(O)CCNc1cccnn1 27a_200000755665_100016991348 [0,2,0,0,0,0|2,0,0]=4 12464 B12R1.252 CC(O)CCNc1ccncn1 27a_200000755665_100000703185 [0,2,0,0,0,0|2,0,0]=4 12465 B12R1.252 CC(O)CCNc1cnccn1 27a_200000755665_100000211759 [0,2,0,0,0,0|2,0,0]=4 12466 B12R1.252 CC(O)CCNc1ncccn1 27a_200000755665_100000211032 [0,2,0,0,0,0|2,0,0]=4 12467 B12R1.252 CC(O)CCOc1ccccc1 34a_100000210340_100012276601 [0,2,0,0,0,0|2,0,0]=4 12468 B12R1.252 CC(O)CCOc1ccccc1 7a_100000210340_100012276601 [0,2,0,0,0,0|2,0,0]=4 12469 B12R1.252 CC(O)CCSc1ccccc1 62a_100000719477_100012276601 [0,2,0,0,0,0|2,0,0]=4 12470 B12R1.252 CC(O)CCSc1ccccc1 62a_100012276601_100000041952 [0,2,0,0,0,0|2,0,0]=4 12471 B12R1.252 CC(O)CCSc1ccccn1 62a_100011216584_100012276601 [0,2,0,0,0,0|1,0,0]=3 12472 B12R1.252 CC(O)CCSc1ccccn1 62a_100012276601_100011216584 [0,2,0,0,0,0|1,0,0]=3 12473 B12R1.252 CC(O)CCSc1cccnn1 62a_100012276601_100016991348 [0,2,0,0,0,0|2,0,0]=4 12474 B12R1.252 CC(O)CCSc1cccnn1 62a_100016991348_100012276601 [0,2,0,0,0,0|2,0,0]=4 12475 B12R1.252 CC(O)CCSc1ccncn1 62a_100000703185_100012276601 [0,2,0,0,0,0|2,0,0]=4 12476 B12R1.252 CC(O)CCSc1ccncn1 62a_100012276601_100000703185 [0,2,0,0,0,0|2,0,0]=4 12477 B12R1.252 CC(O)CCSc1cnccn1 62a_100000211759_100012276601 [0,2,0,0,0,0|2,0,0]=4 12478 B12R1.252 CC(O)CCSc1cnccn1 62a_100012276601_100000211759 [0,2,0,0,0,0|2,0,0]=4 12479 B12R1.252 CC(O)CCSc1ncccn1 62a_100000211032_100012276601 [0,2,0,0,0,0|2,0,0]=4 12480 B12R1.252 CC(O)CCSc1ncccn1 62a_100012276601_100000211032 [0,2,0,0,0,0|2,0,0]=4 12481 B12R1.252 CC(O)CNCc1ccccc1 207a_100000210904_100015611070 [0,2,0,0,0,0|2,0,0]=4 12482 B12R1.252 CC(O)CNCc1ccccc1 2230a_100000210904_100015291786 [0,2,0,0,0,0|2,0,0]=4 12483 B12R1.252 CC(O)CNCc1ccccc1 2230a_100015324214_100011218427 [0,2,0,0,0,0|2,0,0]=4 12484 B12R1.252 CC(O)CNCc1ccccc1 270004a_100000210904_100015611070 [0,2,0,0,0,0|2,0,0]=4 12485 B12R1.252 CC(O)CNCc1ccccc1 34a_100000210904_100015291786 [0,2,0,0,0,0|2,0,0]=4 12486 B12R1.252 CC(O)CNCc1ccccc1 34a_100015324214_100011218427 [0,2,0,0,0,0|2,0,0]=4 12487 B12R1.252 CC(O)CNCc1ccccn1 207a_100000210904_100000209966 [0,2,0,0,0,0|1,0,0]=3 12488 B12R1.252 CC(O)CNCc1ccccn1 2230a_100000210904_100000721315 [0,2,0,0,0,0|1,0,0]=3 12489 B12R1.252 CC(O)CNCc1ccccn1 270004a_100000210904_100000209966 [0,2,0,0,0,0|1,0,0]=3 12490 B12R1.252 CC(O)CNCc1ccccn1 34a_100000210904_100000721315 [0,2,0,0,0,0|1,0,0]=3 12491 B12R1.252 CC(O)CNCc1cccnn1 2230a_100000210904_100016990269 [0,2,0,0,0,0|2,0,0]=4 12492 B12R1.252 CC(O)CNCc1cccnn1 2230a_100159270163_100011218427 [0,2,0,0,0,0|2,0,0]=4 12493 B12R1.252 CC(O)CNCc1cccnn1 34a_100000210904_100016990269 [0,2,0,0,0,0|2,0,0]=4 12494 B12R1.252 CC(O)CNCc1cnccn1 2230a_100000210904_100016995436 [0,2,0,0,0,0|2,0,0]=4 12495 B12R1.252 CC(O)CNCc1cnccn1 270004a_100000210904_100000749867 [0,2,0,0,0,0|2,0,0]=4 12496 B12R1.252 CC(O)CNCc1cnccn1 34a_100000210904_100016995436 [0,2,0,0,0,0|2,0,0]=4 12497 B12R1.252 CC(O)CNCc1ncccn1 2230a_100000210904_100000703007 [0,2,0,0,0,0|2,0,0]=4 12498 B12R1.252 CC(O)CNCc1ncccn1 270004a_100000210904_100011532527 [0,2,0,0,0,0|2,0,0]=4 12499 B12R1.252 CC(O)CNCc1ncccn1 34a_100000210904_100000703007 [0,2,0,0,0,0|2,0,0]=4 12500 B12R1.252 CC(O)COCc1ccccc1 34a_100000210790_100011218427 [0,2,0,0,0,0|2,0,0]=4 12501 B12R1.252 CC(O)COCc1ccccc1 7a_100000210790_100011218427 [0,2,0,0,0,0|2,0,0]=4 12502 B12R1.252 CC(O)CSCc1ccccc1 62a_100000211182_100011218427 [0,2,0,0,0,0|2,0,0]=4 12503 B12R1.252 CC(O)CSCc1ccccc1 62a_100011218427_100015291786 [0,2,0,0,0,0|2,0,0]=4 12504 B12R1.252 CC(O)CSCc1ccccn1 62a_100000721315_100011218427 [0,2,0,0,0,0|1,0,0]=3 12505 B12R1.252 CC(O)CSCc1ccccn1 62a_100011218427_100000721315 [0,2,0,0,0,0|1,0,0]=3 12506 B12R1.252 CC(O)CSCc1cccnn1 62a_100011218427_100016990269 [0,2,0,0,0,0|2,0,0]=4 12507 B12R1.252 CC(O)CSCc1cccnn1 62a_100016990269_100011218427 [0,2,0,0,0,0|2,0,0]=4 12508 B12R1.252 CC(O)CSCc1cnccn1 62a_100011218427_100016995436 [0,2,0,0,0,0|2,0,0]=4 12509 B12R1.252 CC(O)CSCc1cnccn1 62a_100016995436_100011218427 [0,2,0,0,0,0|2,0,0]=4 12510 B12R1.252 CC(O)CSCc1ncccn1 62a_100000703007_100011218427 [0,2,0,0,0,0|2,0,0]=4 12511 B12R1.252 CC(O)CSCc1ncccn1 62a_100011218427_100000703007 [0,2,0,0,0,0|2,0,0]=4 12512 B12R1.252 CN(C)C/C=C/c1ccccc1 2230a_100102631434_100016265936 [0,2,0,0,0,0|1,0,1]=4 12513 B12R1.252 CN(C)C/C=C/c1ccccc1 269982a_100102631434_100016265936 [0,2,0,0,0,0|1,0,1]=4 12514 B12R1.252 CN(C)CC#Cc1ccccc1 2230a_100102631434_100011352542 [0,2,0,0,0,0|1,0,1]=4 12515 B12R1.252 CN(C)CC#Cc1ccccc1 269982a_100102631434_100011352542 [0,2,0,0,0,0|1,0,1]=4 12516 B12R1.252 CN(C)CC=Cc1ccccc1 270004a_100102631434_100000210105 [0,2,0,0,0,0|1,0,1]=4 12517 B12R1.252 CN(C)CCCc1ccccc1 2230a_100000693637_200000210301 [0,2,0,0,0,0|1,0,0]=3 12518 B12R1.252 CN(C)CCCc1ccccc1 2230a_100102631434_100000211621 [0,2,0,0,0,0|1,0,0]=3 12519 B12R1.252 CN(C)CCCc1ccccc1 269982a_100000693637_200000210301 [0,2,0,0,0,0|1,0,0]=3 12520 B12R1.252 CN(C)CCCc1ccccc1 269982a_100102631434_100000211621 [0,2,0,0,0,0|1,0,0]=3 12521 B12R1.252 CN(C)CCNc1cccnn1 27a_100000210585_100016991348 [0,2,0,0,0,0|1,0,0]=3 12522 B12R1.252 CN(C)CCNc1ccncn1 27a_100000210585_100000703185 [0,2,0,0,0,0|1,0,0]=3 12523 B12R1.252 CN(C)CCNc1cnccn1 27a_100000210585_100000211759 [0,2,0,0,0,0|1,0,0]=3 12524 B12R1.252 CN(C)CCNc1ncccn1 27a_100000210585_100000211032 [0,2,0,0,0,0|1,0,0]=3 12525 B12R1.252 CN(C)CCOc1ccccc1 2230a_100000184383_200000210301 [0,2,0,0,0,0|1,0,0]=3 12526 B12R1.252 CN(C)CCOc1ccccc1 2230a_100102631434_100000184471 [0,2,0,0,0,0|1,0,0]=3 12527 B12R1.252 CN(C)CCOc1ccccc1 269982a_100000184383_200000210301 [0,2,0,0,0,0|1,0,0]=3 12528 B12R1.252 CN(C)CCOc1ccccc1 269982a_100102631434_100000184471 [0,2,0,0,0,0|1,0,0]=3 12529 B12R1.252 CN(C)CCOc1ccccc1 270004a_100102631434_100000758736 [0,2,0,0,0,0|1,0,0]=3 12530 B12R1.252 CN(C)CCOc1ccccc1 7a_100000210340_100000755713 [0,2,0,0,0,0|1,0,0]=3 12531 B12R1.252 CN(C)CCOc1cccnc1 7a_100000210849_100000755713 [0,2,0,0,0,0|2,0,0]=4 12532 B12R1.252 CN(C)CCSc1ccccc1 2230a_100102631434_100000246102 [0,2,0,0,0,0|1,0,0]=3 12533 B12R1.252 CN(C)CCSc1ccccc1 269982a_100102631434_100000246102 [0,2,0,0,0,0|1,0,0]=3 12534 B12R1.252 CN(C)CCSc1ccccc1 62a_100000719477_100000755713 [0,2,0,0,0,0|1,0,0]=3 12535 B12R1.252 CN(C)CCSc1ccccn1 62a_100011216584_100000755713 [0,2,0,0,0,0|0,0,0]=2 12536 B12R1.252 CN(C)CCSc1cccnc1 62a_100000210063_100000755713 [0,2,0,0,0,0|2,0,0]=4 12537 B12R1.252 CN(C)CCSc1cccnn1 62a_100016991348_100000755713 [0,2,0,0,0,0|1,0,0]=3 12538 B12R1.252 CN(C)CCSc1ccncc1 62a_100000728582_100000755713 [0,2,0,0,0,0|2,0,0]=4 12539 B12R1.252 CN(C)CCSc1ccncn1 62a_100000703185_100000755713 [0,2,0,0,0,0|1,0,0]=3 12540 B12R1.252 CN(C)CCSc1cnccn1 62a_100000211759_100000755713 [0,2,0,0,0,0|1,0,0]=3 12541 B12R1.252 CN(C)CCSc1ncccn1 62a_100000211032_100000755713 [0,2,0,0,0,0|1,0,0]=3 12542 B12R1.252 CN(C)COCc1ccccc1 2230a_100102631434_100000763385 [0,2,0,0,0,0|1,0,0]=3 12543 B12R1.252 CN(C)CSCc1ccccc1 2230a_100102631434_200011217039 [0,2,0,0,0,0|1,0,0]=3 12544 B12R1.252 CN(C)CSCc1ccccc1 269982a_100102631434_200011217039 [0,2,0,0,0,0|1,0,0]=3 12545 B12R1.252 CN([13CH3])CCCc1ccccc1 2230a_100000693637_200025704644 [0,2,0,0,0,0|1,0,0]=3 12546 B12R1.252 CN([13CH3])CCCc1ccccc1 269982a_100000693637_200025704644 [0,2,0,0,0,0|1,0,0]=3 12547 B12R1.252 CN([13CH3])CCOc1ccccc1 2230a_100000184383_200025704644 [0,2,0,0,0,0|1,0,0]=3 12548 B12R1.252 CN([13CH3])CCOc1ccccc1 269982a_100000184383_200025704644 [0,2,0,0,0,0|1,0,0]=3 12549 B12R1.252 C[C@@H](Cl)COCc1ccccc1 34a_100016084084_100015291786 [0,2,0,0,0,0|2,0,0]=4 12550 B12R1.252 C[C@@H](Cl)COCc1ccccn1 34a_100016084084_100000721315 [0,2,0,0,0,0|1,0,0]=3 12551 B12R1.252 C[C@@H](Cl)COCc1cccnn1 34a_100016084084_100016990269 [0,2,0,0,0,0|2,0,0]=4 12552 B12R1.252 C[C@@H](Cl)COCc1cnccn1 34a_100016084084_100016995436 [0,2,0,0,0,0|2,0,0]=4 12553 B12R1.252 C[C@@H](Cl)COCc1ncccn1 34a_100016084084_100000703007 [0,2,0,0,0,0|2,0,0]=4 12554 B12R1.252 C[C@@H](N)COCc1ccccc1 34a_100000737577_100015291786 [0,2,0,0,0,0|2,0,0]=4 12555 B12R1.252 C[C@@H](N)COCc1ccccn1 34a_100000737577_100000721315 [0,2,0,0,0,0|1,0,0]=3 12556 B12R1.252 C[C@@H](N)COCc1cccnn1 34a_100000737577_100016990269 [0,2,0,0,0,0|2,0,0]=4 12557 B12R1.252 C[C@@H](N)COCc1cnccn1 34a_100000737577_100016995436 [0,2,0,0,0,0|2,0,0]=4 12558 B12R1.252 C[C@@H](N)COCc1ncccn1 34a_100000737577_100000703007 [0,2,0,0,0,0|2,0,0]=4 12559 B12R1.252 C[C@@H](O)CNCc1ccccc1 2230a_100015324214_100009817552 [0,2,0,0,0,0|2,0,0]=4 12560 B12R1.252 C[C@@H](O)CNCc1ccccc1 34a_100015324214_100009817552 [0,2,0,0,0,0|2,0,0]=4 12561 B12R1.252 C[C@@H](O)CNCc1cccnn1 2230a_100159270163_100009817552 [0,2,0,0,0,0|2,0,0]=4 12562 B12R1.252 C[C@@H](O)COCc1ccccc1 34a_100000210790_100009817552 [0,2,0,0,0,0|2,0,0]=4 12563 B12R1.252 C[C@@H](O)COCc1ccccc1 7a_100000210790_100009817552 [0,2,0,0,0,0|2,0,0]=4 12564 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100000211182_100009817552 [0,2,0,0,0,0|2,0,0]=4 12565 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100009817552_100015291786 [0,2,0,0,0,0|2,0,0]=4 12566 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100000721315_100009817552 [0,2,0,0,0,0|1,0,0]=3 12567 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100009817552_100000721315 [0,2,0,0,0,0|1,0,0]=3 12568 B12R1.252 C[C@@H](O)CSCc1cccnn1 62a_100009817552_100016990269 [0,2,0,0,0,0|2,0,0]=4 12569 B12R1.252 C[C@@H](O)CSCc1cccnn1 62a_100016990269_100009817552 [0,2,0,0,0,0|2,0,0]=4 12570 B12R1.252 C[C@@H](O)CSCc1cnccn1 62a_100009817552_100016995436 [0,2,0,0,0,0|2,0,0]=4 12571 B12R1.252 C[C@@H](O)CSCc1cnccn1 62a_100016995436_100009817552 [0,2,0,0,0,0|2,0,0]=4 12572 B12R1.252 C[C@@H](O)CSCc1ncccn1 62a_100000703007_100009817552 [0,2,0,0,0,0|2,0,0]=4 12573 B12R1.252 C[C@@H](O)CSCc1ncccn1 62a_100009817552_100000703007 [0,2,0,0,0,0|2,0,0]=4 12574 B12R1.252 FC(F)CNCc1ccccn1 207a_100000765723_100000209966 [0,2,0,0,0,0|2,0,0]=4 12575 B12R1.252 FC(F)CNCc1ccccn1 270004a_100000765723_100000209966 [0,2,0,0,0,0|2,0,0]=4 12576 B12R1.252 FC(F)CNCc1ccccn1 34a_100000765723_100000721315 [0,2,0,0,0,0|2,0,0]=4 12577 B12R1.252 FC(F)COCc1ccccn1 34a_100000743014_100000721315 [0,2,0,0,0,0|2,0,0]=4 12578 B12R1.252 FC(F)CSCc1ccccn1 62a_100000721315_100011934356 [0,2,0,0,0,0|2,0,0]=4 12579 B12R1.252 FC(F)CSCc1ccccn1 62a_100011934356_100000721315 [0,2,0,0,0,0|2,0,0]=4 12580 B12R1.252 NC(=O)CCSc1ccccn1 62a_100000744528_100011216584 [0,2,0,0,0,0|2,0,0]=4 12581 B12R1.252 NC(=O)CCSc1ccccn1 62a_100011216584_100000744528 [0,2,0,0,0,0|2,0,0]=4 12582 B12R1.252 NC(=O)CNCc1ccccn1 2230a_100000711301_100000721315 [0,2,0,0,0,0|2,0,0]=4 12583 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000721315_100000747473 [0,2,0,0,0,0|2,0,0]=4 12584 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000747473_100000721315 [0,2,0,0,0,0|2,0,0]=4 12585 B12R1.252 O=C(O)CNCc1ccccn1 269956a_100016091260_100000721315 [0,2,0,0,0,0|2,0,0]=4 12586 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100000721315_100020667443 [0,2,0,0,0,0|2,0,0]=4 12587 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100020667443_100000721315 [0,2,0,0,0,0|2,0,0]=4 12588 B12R1.252 O=[N+]([O-])CSCc1ccccn1 62a_100000721315_100000761209 [0,2,0,0,0,0|1,0,1]=4 12589 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,2,0,0,0,0|2,0,0]=4 12590 B12R1.252 [13CH3]C(=O)CCCc1ccccn1 1458a_100000752327_200025704644 [0,2,0,0,0,0|1,0,0]=3 12591 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [0,2,0,0,0,0|2,0,0]=4 12592 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [0,2,0,0,0,0|2,0,0]=4 12593 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [0,2,0,0,0,0|2,0,0]=4 12594 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [0,2,0,0,0,0|2,0,0]=4 12595 B12R1.252 [13CH3]C(=O)CSCc1ccccn1 1458a_100000742634_200025704644 [0,2,0,0,0,0|1,0,0]=3 12596 B12R1.43 C=C(C)C(=O)Cc1ccccn1 1458a_100000185857_100000721315 [0,2,0,0,0,0|1,0,1]=4 12597 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,2,0,0,0,0|2,0,0]=4 12598 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,2,0,0,0,0|2,0,0]=4 12599 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [0,2,0,0,0,0|1,0,0]=3 12600 B12R1.43 CC(=O)C(C)Sc1ccccn1 1458a_100000156770_200000210301 [0,2,0,0,0,0|2,0,0]=4 12601 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100009814033_100011216584 [0,2,0,0,0,0|2,0,0]=4 12602 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100011216584_100009814033 [0,2,0,0,0,0|2,0,0]=4 12603 B12R1.43 CC(=O)N(C)Cc1ccccn1 11a_100000207498_100015343762 [0,2,0,0,0,0|2,0,0]=4 12604 B12R1.43 CC(=O)N(C)Cc1ccccn1 240690a_100000207498_100015343762 [0,2,0,0,0,0|2,0,0]=4 12605 B12R1.43 CC(=O)N(C)Cc1ccccn1 527a_100000207498_100103153847 [0,2,0,0,0,0|2,0,0]=4 12606 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,2,0,0,0,0|2,0,0]=4 12607 B12R1.43 CC(C)C(=O)Cc1ccccn1 1458a_100000210198_100000721315 [0,2,0,0,0,0|1,0,1]=4 12608 B12R1.43 CC(C)C(=O)Cc1ccccn1 1458a_100000233486_100000210206 [0,2,0,0,0,0|1,0,1]=4 12609 B12R1.43 CC(C)N(C)Cc1ccccn1 2230a_100000200191_200000210301 [0,2,0,0,0,0|2,0,0]=4 12610 B12R1.43 CC(C)N(C)Cc1ccccn1 2230a_100000207498_100000210206 [0,2,0,0,0,0|2,0,0]=4 12611 B12R1.43 CC(C)N(C)Cc1ccccn1 269982a_100000200191_200000210301 [0,2,0,0,0,0|2,0,0]=4 12612 B12R1.43 CC(C)N(C)Cc1ccccn1 269982a_100000207498_100000210206 [0,2,0,0,0,0|2,0,0]=4 12613 B12R1.43 CC(C)N(C)Cc1ccccn1 269982a_200000211004_100000721315 [0,2,0,0,0,0|2,0,0]=4 12614 B12R1.43 CC(C)N(C)Cc1ccccn1 270004a_200000211004_100000209966 [0,2,0,0,0,0|2,0,0]=4 12615 B12R1.43 CC(C)N([13CH3])Cc1ccccn1 2230a_100000200191_200025704644 [0,2,0,0,0,0|2,0,0]=4 12616 B12R1.43 CC(C)N([13CH3])Cc1ccccn1 269982a_100000200191_200025704644 [0,2,0,0,0,0|2,0,0]=4 12617 B12R1.43 CC(C[n+]1ccccc1)N(C)C 270004a_100102631434_100000034229 [0,2,0,0,0,0|2,0,0]=4 12618 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,2,0,0,0,0|2,0,0]=4 12619 B12R1.43 CC(Cc1ccccc1)N(C)C 269982a_100102631434_200011218536 [0,2,0,0,0,0|1,0,0]=3 12620 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [0,2,0,0,0,0|1,0,0]=3 12621 B12R1.43 CC(Cc1ccccn1)N(C)C 2230a_200011351704_200000210301 [0,2,0,0,0,0|0,0,0]=2 12622 B12R1.43 CC(Cc1ccccn1)N(C)C 269982a_200011351704_200000210301 [0,2,0,0,0,0|0,0,0]=2 12623 B12R1.43 CC(Cc1ccccn1)N(C)[13CH3] 2230a_200011351704_200025704644 [0,2,0,0,0,0|0,0,0]=2 12624 B12R1.43 CC(Cc1ccccn1)N(C)[13CH3] 269982a_200011351704_200025704644 [0,2,0,0,0,0|0,0,0]=2 12625 B12R1.43 CC(Cc1cccnc1)N(C)C 270004a_100102631434_100015187140 [0,2,0,0,0,0|2,0,0]=4 12626 B12R1.43 CC(Cc1ccncc1)N(C)C 270004a_100102631434_100000238508 [0,2,0,0,0,0|2,0,0]=4 12627 B12R1.43 CC(Cc1cnccn1)N(C)C 270004a_100102631434_100015184882 [0,2,0,0,0,0|1,0,0]=3 12628 B12R1.43 CC(F)C(=O)Cc1ccccn1 1458a_100000062450_100000721315 [0,2,0,0,0,0|1,0,1]=4 12629 B12R1.43 CC(Sc1ccccn1)C(=O)[13CH3] 1458a_100000156770_200025704644 [0,2,0,0,0,0|2,0,0]=4 12630 B12R1.43 CN(C)C(=O)Cc1ccccn1 11a_100102631434_100000233486 [0,2,0,0,0,0|0,0,1]=3 12631 B12R1.43 CN(C)C(=O)Cc1cnccn1 11a_100102631434_100000726051 [0,2,0,0,0,0|1,0,1]=4 12632 B12R1.43 CN(C)C(=O)Cc1cnccn1 240690a_100102631434_100000726051 [0,2,0,0,0,0|1,0,1]=4 12633 B12R1.43 CN(C)C(=O)Cc1cnccn1 527a_100102631434_100000726051 [0,2,0,0,0,0|1,0,1]=4 12634 B12R1.43 C[C@@H](O)C(=O)Cc1ccccn1 1458a_100000717761_100000721315 [0,2,0,0,0,0|1,0,1]=4 12635 B12R1.43 C[C@H](O)C(=O)Cc1ccccn1 1458a_217856618621_100000721315 [0,2,0,0,0,0|1,0,1]=4 12636 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,2,0,0,0,0|2,0,0]=4 12637 B12R1.118 C#CC(Cc1ccccc1)OC 34a_100000685211_200000210301 [0,2,0,0,0,0|2,0,0]=4 12638 B12R1.118 C#CC(Cc1ccccc1)OC 7a_100000685211_200000210301 [0,2,0,0,0,0|2,0,0]=4 12639 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 34a_100000685211_200025704644 [0,2,0,0,0,0|2,0,0]=4 12640 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 7a_100000685211_200025704644 [0,2,0,0,0,0|2,0,0]=4 12641 B12R1.118 CCC(CC)Sc1ccccn1 62a_100000210505_100011216584 [0,2,0,0,0,0|2,0,0]=4 12642 B12R1.118 CCC(CC)Sc1ccccn1 62a_100011216584_100000210505 [0,2,0,0,0,0|2,0,0]=4 12643 B12R1.118 CCC(Cc1ccccc1)NC 270004a_106832991635_100000212045 [0,2,0,0,0,0|1,0,0]=3 12644 B12R1.118 CCC(Cc1ccccc1)OC 7a_100000760156_200000210301 [0,2,0,0,0,0|2,0,0]=4 12645 B12R1.118 CCC(Cc1ccccc1)O[13CH3] 7a_100000760156_200025704644 [0,2,0,0,0,0|2,0,0]=4 12646 B12R1.118 CCN(CC)Cc1ccccn1 2230a_100000201164_100000210202 [0,2,0,0,0,0|2,0,0]=4 12647 B12R1.118 CCN(CC)Cc1ccccn1 2230a_100000724800_100000721315 [0,2,0,0,0,0|2,0,0]=4 12648 B12R1.118 CCN(CC)Cc1ccccn1 269956a_100000042499_100000721315 [0,2,0,0,0,0|2,0,0]=4 12649 B12R1.118 CCN(CC)Cc1ccccn1 269982a_100000201164_100000204670 [0,2,0,0,0,0|2,0,0]=4 12650 B12R1.118 CCN(CC)Cc1ccccn1 269982a_100000724800_100000721315 [0,2,0,0,0,0|2,0,0]=4 12651 B12R1.118 CCN(CC)Cc1ccccn1 270004a_100000724800_100000209966 [0,2,0,0,0,0|2,0,0]=4 12652 B12R1.118 CCN(CF)Cc1ccccn1 269982a_100000201164_100015361967 [0,2,0,0,0,0|2,0,0]=4 12653 B12R1.118 CNC(C#N)Cc1ccccc1 2230a_100000746547_200000210301 [0,2,0,0,0,0|1,0,0]=3 12654 B12R1.118 CNC(C#N)Cc1ccccc1 7a_106832991635_100000183401 [0,2,0,0,0,0|1,0,0]=3 12655 B12R1.118 CNC(CO)Cc1ccccc1 2230a_100000739027_200000210301 [0,2,0,0,0,0|1,0,0]=3 12656 B12R1.118 CNC(CO)Cc1cccnc1 2230a_100000717814_200000210301 [0,2,0,0,0,0|2,0,0]=4 12657 B12R1.118 CNC(CO)Cc1ccncc1 2230a_100000717866_200000210301 [0,2,0,0,0,0|2,0,0]=4 12658 B12R1.118 COC(CN)Cc1ccccc1 34a_100000752270_200000210301 [0,2,0,0,0,0|2,0,0]=4 12659 B12R1.118 CO[C@H](CCl)Cc1ccccc1 7a_100000729385_200000210301 [0,2,0,0,0,0|2,0,0]=4 12660 B12R1.118 CSC(C#N)Cc1ccccc1 62a_100000183401_200000210301 [0,2,0,0,0,0|2,0,0]=4 12661 B12R1.118 CSC(C#N)Cc1ccccc1 62a_200000210301_100000183401 [0,2,0,0,0,0|2,0,0]=4 12662 B12R1.118 [13CH3]NC(C#N)Cc1ccccc1 2230a_100000746547_200025704644 [0,2,0,0,0,0|1,0,0]=3 12663 B12R1.118 [13CH3]NC(CO)Cc1ccccc1 2230a_100000739027_200025704644 [0,2,0,0,0,0|1,0,0]=3 12664 B12R1.118 [13CH3]NC(CO)Cc1cccnc1 2230a_100000717814_200025704644 [0,2,0,0,0,0|2,0,0]=4 12665 B12R1.118 [13CH3]NC(CO)Cc1ccncc1 2230a_100000717866_200025704644 [0,2,0,0,0,0|2,0,0]=4 12666 B12R1.118 [13CH3]OC(CN)Cc1ccccc1 34a_100000752270_200025704644 [0,2,0,0,0,0|2,0,0]=4 12667 B12R1.118 [13CH3]O[C@H](CCl)Cc1ccccc1 7a_100000729385_200025704644 [0,2,0,0,0,0|2,0,0]=4 12668 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_100000183401_200025704644 [0,2,0,0,0,0|2,0,0]=4 12669 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_200025704644_100000183401 [0,2,0,0,0,0|2,0,0]=4 12670 B12R1.194 CC(C)(Cc1ccccc1)O[13CH3] 7a_100011215222_200025704644 [0,2,0,0,0,0|2,0,0]=4 12671 B12R1.194 CCC(C)(C)Sc1ccccn1 62a_100000032637_100011216584 [0,2,0,0,0,0|2,0,0]=4 12672 B12R1.194 CCC(C)(C)Sc1ccccn1 62a_100011216584_100000032637 [0,2,0,0,0,0|2,0,0]=4 12673 B12R1.194 CNC(F)(F)Oc1ccccc1 7a_106832991635_200000057402 [0,2,0,0,0,0|2,0,0]=4 12674 B12R1.194 CNS(=O)(=O)Cc1ccccc1 270084a_100102657272_100000211737 [0,2,0,0,0,0|2,0,0]=4 12675 B12R1.194 CNS(=O)(=O)Cc1ccccc1 274078a_100102657272_100000211737 [0,2,0,0,0,0|2,0,0]=4 12676 B12R1.194 CNS(=O)(=O)Cc1ccccc1 40a_100102657272_100000235865 [0,2,0,0,0,0|2,0,0]=4 12677 B12R1.194 COC(C)(C)Cc1ccccc1 7a_100011215222_200000210301 [0,2,0,0,0,0|2,0,0]=4 12678 B12R1.891 CC(C)(C)CSc1ccccn1 62a_100011216584_100011219605 [0,2,0,0,0,0|2,0,0]=4 12679 B12R1.891 CC(C)(C)CSc1ccccn1 62a_100011219605_100011216584 [0,2,0,0,0,0|2,0,0]=4 12680 B12R1.891 CC(C)(C)NCc1ccccn1 207a_100000715429_100000209966 [0,2,0,0,0,0|2,0,0]=4 12681 B12R1.891 CC(C)(C)NCc1ccccn1 2230a_100000715429_100000721315 [0,2,0,0,0,0|2,0,0]=4 12682 B12R1.891 CC(C)(C)OCc1ccccn1 34a_100015890283_100000721315 [0,2,0,0,0,0|2,0,0]=4 12683 B12R1.891 CC(C)(C)OCc1ccccn1 7a_100015890283_100000721315 [0,2,0,0,0,0|2,0,0]=4 12684 B12R1.891 CC(C)(C)SCc1ccccn1 62a_100000211941_100000721315 [0,2,0,0,0,0|2,0,0]=4 12685 B12R1.891 CC(C)(C)SCc1ccccn1 62a_100000721315_100000211941 [0,2,0,0,0,0|2,0,0]=4 12686 B12R1.891 CC(C)(F)CSc1ccccn1 62a_100011216584_100011997219 [0,2,0,0,0,0|2,0,0]=4 12687 B12R1.891 CC(C)(F)CSc1ccccn1 62a_100011997219_100011216584 [0,2,0,0,0,0|2,0,0]=4 12688 B12R1.891 CC(C)(O)CSc1ccccn1 62a_100000764493_100011216584 [0,2,0,0,0,0|2,0,0]=4 12689 B12R1.891 CC(C)(O)CSc1ccccn1 62a_100011216584_100000764493 [0,2,0,0,0,0|2,0,0]=4 12690 B12R1.891 CS(=O)(=O)NCc1ccccn1 40a_100000210449_100000738038 [0,2,0,0,0,0|2,0,0]=4 12691 B12R1.891 C[N+](C)(C)CSc1ccccn1 62a_100011216584_200000036245 [0,2,0,0,0,0|1,0,1]=4 12692 B12R1.891 C[N+](C)(C)CSc1ccccn1 62a_200000036245_100011216584 [0,2,0,0,0,0|1,0,1]=4 12693 B12R1.891 C[Si](C)(C)CSc1ccccn1 62a_100000037933_100011216584 [0,2,0,0,0,0|2,0,0]=4 12694 B12R1.891 C[Si](C)(C)CSc1ccccn1 62a_100011216584_100000037933 [0,2,0,0,0,0|2,0,0]=4 12695 B10R1.178 C=CC=CC(=O)C1CCC1 1458a_100016291481_100000749161 [0,0,1,1,0,0|2,0,0]=4 12696 B10R1.178 C=CC=CC(=O)C1COC1 1458a_100016291481_100000687716 [0,0,1,1,0,0|2,0,0]=4 12697 B10R1.180 C=CC=CC(=O)CC1CC1 1458a_100016291481_100000742324 [0,0,1,1,0,0|2,0,0]=4 12698 B10R1.180 C=CC=CC(=O)CC1CO1 1458a_100016291481_100011216344 [0,0,1,1,0,0|2,0,0]=4 12699 B10R1.180 C=CC=CC(=O)CC1CS1 1458a_100016291481_100000031435 [0,0,1,1,0,0|2,0,0]=4 12700 B10R1.180 C=CC=CC(=O)C[C@@H]1CO1 1458a_100016291481_100000745022 [0,0,1,1,0,0|2,0,0]=4 12701 B10R1.5 C=Cc1sccc1CNC 271570a_100011290941_100009817074 [0,0,1,1,0,0|1,0,1]=4 12702 B10R1.172 C=Cc1cc(ccn1)NC 271570a_100011290941_100009869472 [0,0,1,1,0,0|0,0,2]=4 12703 B10R1.172 C=Cc1nccc(n1)NC 271570a_100011290941_100011649947 [0,0,1,1,0,0|1,0,1]=4 12704 B10R2.6 c1cc(ccn1)C2CC2 271570a_100011220607_100000035832 [1,0,0,1,0,0|2,0,0]=4 12705 B10R2.6 c1cc(ncn1)C2CC2 271570a_100011220607_100000703185 [1,0,0,1,0,0|1,0,0]=3 12706 B10R2.6 c1ccc(cc1)C2CC2 271570a_100011220607_100000210277 [1,0,0,1,0,0|1,0,0]=3 12707 B10R2.6 c1ccc(nc1)C2CC2 271570a_100011220607_100011216584 [1,0,0,1,0,0|0,0,0]=2 12708 B10R2.6 c1cnc(cn1)C2CC2 271570a_100011220607_100000758340 [1,0,0,1,0,0|1,0,0]=3 12709 B10R2.6 c1cnc(nc1)C2CC2 271570a_100011220607_100000211032 [1,0,0,1,0,0|1,0,0]=3 12710 B10R2.6 c1cncc(c1)C2CC2 271570a_100011220607_100000752921 [1,0,0,1,0,0|2,0,0]=4 12711 B10R2.6 c1cnnc(c1)C2CC2 271570a_100011220607_100016991348 [1,0,0,1,0,0|1,0,0]=3 12712 B12R2.24 CN1CCc2ccccc2C1 2230a_100000188457_200000210301 [0,1,0,1,0,0|1,0,0]=3 12713 B12R2.24 CN1CCc2ccccc2C1 269982a_100000188457_200000210301 [0,1,0,1,0,0|1,0,0]=3 12714 B12R2.24 CN1CCc2ccccc2C1 34a_100000188457_200000210301 [0,1,0,1,0,0|1,0,0]=3 12715 B12R2.24 CN1CCc2cccnc2C1 2230a_100015206102_200000210301 [0,1,0,1,0,0|2,0,0]=4 12716 B12R2.24 CN1CCc2cccnc2C1 269982a_100015206102_200000210301 [0,1,0,1,0,0|2,0,0]=4 12717 B12R2.24 CN1CCc2ccncc2C1 2230a_100015190008_200000210301 [0,1,0,1,0,0|2,0,0]=4 12718 B12R2.24 CN1CCc2ccncc2C1 269982a_100015190008_200000210301 [0,1,0,1,0,0|2,0,0]=4 12719 B12R2.24 CN1CCc2cnccc2C1 2230a_100020645890_200000210301 [0,1,0,1,0,0|2,0,0]=4 12720 B12R2.24 CN1CCc2cnccc2C1 269982a_100020645890_200000210301 [0,1,0,1,0,0|2,0,0]=4 12721 B12R2.24 CN1CCc2ncccc2C1 2230a_100000699647_200000210301 [0,1,0,1,0,0|0,0,0]=2 12722 B12R2.24 CN1CCc2ncccc2C1 269982a_100000699647_200000210301 [0,1,0,1,0,0|0,0,0]=2 12723 B12R2.24 CN1CCc2ncncc2C1 2230a_100012000121_200000210301 [0,1,0,1,0,0|1,0,0]=3 12724 B12R2.24 CN1CCc2ncncc2C1 269982a_100012000121_200000210301 [0,1,0,1,0,0|1,0,0]=3 12725 B12R2.24 Oc1ccc2c(c1)CCCC2 271570a_203496583355_100011221367 [0,1,0,1,0,0|2,0,0]=4 12726 B12R2.24 Oc1ccc2c(c1)CCNC2 271570a_203496583355_100000686056 [0,1,0,1,0,0|1,0,0]=3 12727 B12R2.24 Oc1ccc2c(c1)CNCC2 271570a_203496583355_100015189961 [0,1,0,1,0,0|1,0,0]=3 12728 B12R2.24 Oc1ccc2c(c1)COCC2 271570a_203496583355_100010128096 [0,1,0,1,0,0|2,0,0]=4 12729 B12R2.24 Oc1ccc2c(n1)CCCC2 271570a_203496583355_100000046135 [0,1,0,1,0,0|1,0,0]=3 12730 B12R2.24 Oc1ccc2c(n1)CCCN2 271570a_203496583355_100010277722 [0,1,0,1,0,0|2,0,0]=4 12731 B12R2.24 Oc1ccc2c(n1)CCNC2 271570a_203496583355_100015190003 [0,1,0,1,0,0|0,0,0]=2 12732 B12R2.24 Oc1ccc2c(n1)NCCC2 271570a_203496583355_100009952728 [0,1,0,1,0,0|2,0,0]=4 12733 B12R2.24 Oc1cnc2c(c1)CCCC2 271570a_203496583355_100010236098 [0,1,0,1,0,0|1,0,0]=3 12734 B12R2.24 Oc1cnc2c(c1)CCCO2 271570a_203496583355_100010109689 [0,1,0,1,0,0|2,0,0]=4 12735 B12R2.24 Oc1ncc2c(n1)CCNC2 271570a_203496583355_100020629273 [0,1,0,1,0,0|1,0,0]=3 12736 B12R2.24 [13CH3]N1CCc2ccccc2C1 2230a_100000188457_200025704644 [0,1,0,1,0,0|1,0,0]=3 12737 B12R2.24 [13CH3]N1CCc2ccccc2C1 269982a_100000188457_200025704644 [0,1,0,1,0,0|1,0,0]=3 12738 B12R2.24 [13CH3]N1CCc2ccccc2C1 34a_100000188457_200025704644 [0,1,0,1,0,0|1,0,0]=3 12739 B12R2.24 [13CH3]N1CCc2cccnc2C1 2230a_100015206102_200025704644 [0,1,0,1,0,0|2,0,0]=4 12740 B12R2.24 [13CH3]N1CCc2cccnc2C1 269982a_100015206102_200025704644 [0,1,0,1,0,0|2,0,0]=4 12741 B12R2.24 [13CH3]N1CCc2ccncc2C1 2230a_100015190008_200025704644 [0,1,0,1,0,0|2,0,0]=4 12742 B12R2.24 [13CH3]N1CCc2ccncc2C1 269982a_100015190008_200025704644 [0,1,0,1,0,0|2,0,0]=4 12743 B12R2.24 [13CH3]N1CCc2cnccc2C1 2230a_100020645890_200025704644 [0,1,0,1,0,0|2,0,0]=4 12744 B12R2.24 [13CH3]N1CCc2cnccc2C1 269982a_100020645890_200025704644 [0,1,0,1,0,0|2,0,0]=4 12745 B12R2.24 [13CH3]N1CCc2ncccc2C1 2230a_100000699647_200025704644 [0,1,0,1,0,0|0,0,0]=2 12746 B12R2.24 [13CH3]N1CCc2ncccc2C1 269982a_100000699647_200025704644 [0,1,0,1,0,0|0,0,0]=2 12747 B12R2.24 [13CH3]N1CCc2ncncc2C1 2230a_100012000121_200025704644 [0,1,0,1,0,0|1,0,0]=3 12748 B12R2.24 [13CH3]N1CCc2ncncc2C1 269982a_100012000121_200025704644 [0,1,0,1,0,0|1,0,0]=3 12749 B12R2.132 Cn1ccc2c1cc(cn2)O 271570a_203496583355_100010761474 [0,1,0,1,0,0|0,0,2]=4 12750 B12R2.132 Cn1ncc2c1cc(cn2)O 271570a_203496583355_100010254267 [0,1,0,1,0,0|1,0,1]=4 12751 B12R2.132 O=C1CCc2c1cc(cn2)O 271570a_203496583355_100010174022 [0,1,0,1,0,0|2,0,0]=4 12752 B12R2.294 Brc1ccc(nc1)NC2CC2 27a_100000212008_100000686858 [0,1,0,1,0,0|2,0,0]=4 12753 B12R2.294 Brc1ccc(nc1)SC2CC2 62a_100000686858_100000211595 [0,1,0,1,0,0|2,0,0]=4 12754 B12R2.294 Cc1ccc(nc1)OC2CC2 34a_100000759353_100000211595 [0,1,0,1,0,0|2,0,0]=4 12755 B12R2.294 Cc1ccc(nc1)SC2CC2 62a_100011192072_100000211595 [0,1,0,1,0,0|2,0,0]=4 12756 B12R2.294 Clc1ccc(nc1)OC2CC2 34a_100011215309_100000211595 [0,1,0,1,0,0|2,0,0]=4 12757 B12R2.294 Clc1ccc(nc1)SC2CC2 62a_100011356976_100000211595 [0,1,0,1,0,0|2,0,0]=4 12758 B12R2.294 Fc1ccc(nc1)OC2CC2 34a_100000742473_100000211595 [0,1,0,1,0,0|2,0,0]=4 12759 B12R2.294 Fc1ccc(nc1)SC2CC2 62a_100000744514_100000211595 [0,1,0,1,0,0|2,0,0]=4 12760 B12R2.294 Nc1ccc(nc1)OC2CC2 34a_100000729260_100000211595 [0,1,0,1,0,0|2,0,0]=4 12761 B12R2.294 Nc1ccc(nc1)SC2CC2 62a_100000737798_100000211595 [0,1,0,1,0,0|2,0,0]=4 12762 B12R2.294 Oc1ccc(nc1)NC2CC2 271570a_203496583355_100011242975 [0,1,0,1,0,0|2,0,0]=4 12763 B12R2.294 Oc1ccc(nc1)SC2CC2 62a_100000685995_100000211595 [0,1,0,1,0,0|2,0,0]=4 12764 B12R2.2302 Brc1ccc(nc1)N2CCC2 27a_100000754969_100000686858 [0,1,0,1,0,0|2,0,0]=4 12765 B12R2.2302 Oc1ccc(cc1)C2CCC2 271570a_203496583355_200010114027 [0,1,0,1,0,0|2,0,0]=4 12766 B12R2.2302 Oc1ccc(cc1)C2COC2 271570a_203496583355_100010732642 [0,1,0,1,0,0|2,0,0]=4 12767 B12R2.2 C1=C(CCC1)c2ccccn2 271570a_100000089523_100011216584 [0,1,0,1,0,0|1,0,1]=4 12768 B12R2.2 C1=C(CCO1)c2ccccn2 271570a_100000118173_100011216584 [0,1,0,1,0,0|1,0,1]=4 12769 B12R2.2 C1=C(COC1)c2ccccn2 271570a_100009872500_100011216584 [0,1,0,1,0,0|1,0,1]=4 12770 B12R2.2 c1cc(ncn1)N2CCCC2 27a_100000188435_100000703185 [0,1,0,1,0,0|2,0,0]=4 12771 B12R2.2 c1cc(ncn1)N2CCSC2 27a_100011215254_100000703185 [0,1,0,1,0,0|2,0,0]=4 12772 B12R2.2 c1cnc(cn1)N2CCCC2 27a_100000188435_100000211759 [0,1,0,1,0,0|2,0,0]=4 12773 B12R2.2 c1cnc(cn1)N2CCSC2 27a_100011215254_100000211759 [0,1,0,1,0,0|2,0,0]=4 12774 B12R2.2 c1cnc(nc1)N2CCCC2 27a_100000188435_100000211032 [0,1,0,1,0,0|2,0,0]=4 12775 B12R2.2 c1cnc(nc1)N2CCSC2 27a_100011215254_100000211032 [0,1,0,1,0,0|2,0,0]=4 12776 B12R2.2 c1cnnc(c1)N2CCCC2 27a_100000188435_100016991348 [0,1,0,1,0,0|2,0,0]=4 12777 B12R2.2 c1cnnc(c1)N2CCSC2 27a_100011215254_100016991348 [0,1,0,1,0,0|2,0,0]=4 12778 B12R2.22 CN1CC(C1)c2cccnc2 269982a_100015183634_200000210301 [0,1,0,1,0,0|2,0,0]=4 12779 B12R2.22 CN1CC(C1)c2ccncc2 269982a_100015185986_200000210301 [0,1,0,1,0,0|2,0,0]=4 12780 B12R2.22 [13CH3]N1CC(C1)c2cccnc2 269982a_100015183634_200025704644 [0,1,0,1,0,0|2,0,0]=4 12781 B12R2.22 [13CH3]N1CC(C1)c2ccncc2 269982a_100015185986_200025704644 [0,1,0,1,0,0|2,0,0]=4 12782 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000210301 [0,1,0,1,0,0|1,0,0]=3 12783 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000210301 [0,1,0,1,0,0|1,0,0]=3 12784 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200025704644 [0,1,0,1,0,0|1,0,0]=3 12785 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200025704644 [0,1,0,1,0,0|1,0,0]=3 12786 B12R2.931 CCSC1Cc2c1cccc2 62a_100000210202_100009813401 [0,1,0,1,0,0|2,0,0]=4 12787 B12R2.931 CCSC1Cc2c1cccc2 62a_100009813401_100000210202 [0,1,0,1,0,0|2,0,0]=4 12788 B12R2.931 COCC1Cc2c1cccc2 34a_100012476685_200000210301 [0,1,0,1,0,0|2,0,0]=4 12789 B12R2.931 COCC1Cc2c1cccc2 7a_100012476685_200000210301 [0,1,0,1,0,0|2,0,0]=4 12790 B12R2.931 FCSC1Cc2c1cccc2 62a_100009813401_100015361967 [0,1,0,1,0,0|2,0,0]=4 12791 B12R2.931 FCSC1Cc2c1cccc2 62a_100015361967_100009813401 [0,1,0,1,0,0|2,0,0]=4 12792 B12R2.931 [13CH3]OCC1Cc2c1cccc2 34a_100012476685_200025704644 [0,1,0,1,0,0|2,0,0]=4 12793 B12R2.931 [13CH3]OCC1Cc2c1cccc2 7a_100012476685_200025704644 [0,1,0,1,0,0|2,0,0]=4 12794 B12R2.1081 Oc1cccc2c1CCCC2 271570a_203496583355_100012354034 [0,1,0,1,0,0|2,0,0]=4 12795 B12R2.1081 Oc1cccc2c1CCNC2 271570a_203496583355_100000756787 [0,1,0,1,0,0|1,0,0]=3 12796 B12R2.1081 Oc1cccc2c1CNCC2 271570a_203496583355_100000687140 [0,1,0,1,0,0|1,0,0]=3 12797 B12R2.1081 Oc1ncnc2c1CCCC2 271570a_203496583355_100011467579 [0,1,0,1,0,0|2,0,0]=4 12798 B12R2.2028 Cn1nc(c2c1cccn2)O 271570a_203496583355_100000761950 [0,1,0,1,0,0|1,0,1]=4 12799 B12R2.2075 C=C(c1ccccn1)C2CC2 271570a_100010895485_100011216584 [0,1,0,1,0,0|1,0,1]=4 12800 B12R2.32 CCN1Cc2cccnc2C1 269982a_100000726175_100000204670 [0,1,0,1,0,0|2,0,0]=4 12801 B12R2.32 CNC1Cc2ccccc2C1 2230a_100000753258_200000210301 [0,1,0,1,0,0|1,0,0]=3 12802 B12R2.32 CNC1Cc2ccccc2C1 34a_100000753258_200000210301 [0,1,0,1,0,0|1,0,0]=3 12803 B12R2.32 CNC1Cc2ccccc2C1 34a_100102657272_100000753484 [0,1,0,1,0,0|1,0,0]=3 12804 B12R2.32 CNC1Cc2ccccc2C1 7a_106832991635_100000753484 [0,1,0,1,0,0|1,0,0]=3 12805 B12R2.32 CNc1nc2cccnc2s1 27a_100102657272_100010188088 [0,1,0,1,0,0|1,0,1]=4 12806 B12R2.32 COC1Cc2ccccc2C1 34a_100011215286_200000210301 [0,1,0,1,0,0|2,0,0]=4 12807 B12R2.32 COC1Cc2ccccc2C1 34a_100138415774_100000753484 [0,1,0,1,0,0|2,0,0]=4 12808 B12R2.32 CSC1Cc2ccccc2C1 62a_200000210301_100000753484 [0,1,0,1,0,0|2,0,0]=4 12809 B12R2.32 [13CH3]NC1Cc2ccccc2C1 2230a_100000753258_200025704644 [0,1,0,1,0,0|1,0,0]=3 12810 B12R2.32 [13CH3]NC1Cc2ccccc2C1 34a_100000753258_200025704644 [0,1,0,1,0,0|1,0,0]=3 12811 B12R2.32 [13CH3]OC1Cc2ccccc2C1 34a_100011215286_200025704644 [0,1,0,1,0,0|2,0,0]=4 12812 B12R2.32 [13CH3]SC1Cc2ccccc2C1 62a_200025704644_100000753484 [0,1,0,1,0,0|2,0,0]=4 12813 B12R2.225 Brc1cccnc1NC2CC2 27a_100000212008_100000696092 [0,1,0,1,0,0|2,0,0]=4 12814 B12R2.225 Brc1cccnc1SC2CC2 62a_100000696092_100000211595 [0,1,0,1,0,0|2,0,0]=4 12815 B12R2.225 Cc1cccnc1SC2CC2 62a_100000751373_100000211595 [0,1,0,1,0,0|2,0,0]=4 12816 B12R2.225 Clc1cccnc1OC2CC2 34a_100011290957_100000211595 [0,1,0,1,0,0|2,0,0]=4 12817 B12R2.225 Clc1cccnc1SC2CC2 62a_100011356963_100000211595 [0,1,0,1,0,0|2,0,0]=4 12818 B12R2.225 Fc1cccnc1OC2CC2 34a_100011219419_100000211595 [0,1,0,1,0,0|2,0,0]=4 12819 B12R2.225 Fc1cccnc1SC2CC2 62a_100000685392_100000211595 [0,1,0,1,0,0|2,0,0]=4 12820 B12R2.225 Nc1cccnc1OC2CC2 34a_100000746358_100000211595 [0,1,0,1,0,0|2,0,0]=4 12821 B12R2.225 Nc1cccnc1SC2CC2 62a_100000688686_100000211595 [0,1,0,1,0,0|2,0,0]=4 12822 B12R2.225 Oc1cccnc1SC2CC2 62a_100000034122_100000211595 [0,1,0,1,0,0|2,0,0]=4 12823 B12R2.517 Brc1cccnc1N2CCC2 27a_100000754969_100000696092 [0,1,0,1,0,0|2,0,0]=4 12824 B12R2.612 CN1CCc2c1ccc(c2)O 271570a_203496583355_100009815432 [0,1,0,1,0,0|1,0,0]=3 12825 B12R2.612 CN1CCc2c1ncc(c2)O 271570a_203496583355_200010383199 [0,1,0,1,0,0|2,0,0]=4 12826 B12R2.612 Cn1cnc2c1ccc(n2)O 271570a_203496583355_100010385288 [0,1,0,1,0,0|1,0,1]=4 12827 B12R2.1286 Brc1cccc(n1)SC2CC2 62a_100000684672_100000211595 [0,1,0,1,0,0|2,0,0]=4 12828 B12R2.1286 Cc1cccc(n1)SC2CC2 62a_100000742759_100000211595 [0,1,0,1,0,0|2,0,0]=4 12829 B12R2.1286 Cc1ccnc(c1)SC2CC2 62a_100000750283_100000211595 [0,1,0,1,0,0|2,0,0]=4 12830 B12R2.1286 Clc1cccc(n1)SC2CC2 62a_100000051397_100000211595 [0,1,0,1,0,0|2,0,0]=4 12831 B12R2.1286 Clc1ccnc(c1)SC2CC2 62a_100010167805_100000211595 [0,1,0,1,0,0|2,0,0]=4 12832 B12R2.1286 Fc1cccc(n1)NC2CC2 27a_100000212008_100009815982 [0,1,0,1,0,0|2,0,0]=4 12833 B12R2.1286 Fc1cccc(n1)OC2CC2 34a_100011432558_100000211595 [0,1,0,1,0,0|2,0,0]=4 12834 B12R2.1286 Fc1cccc(n1)SC2CC2 62a_100009815982_100000211595 [0,1,0,1,0,0|2,0,0]=4 12835 B12R2.1286 Fc1ccnc(c1)NC2CC2 27a_100000212008_100000764206 [0,1,0,1,0,0|2,0,0]=4 12836 B12R2.1286 Fc1ccnc(c1)SC2CC2 62a_100000764206_100000211595 [0,1,0,1,0,0|2,0,0]=4 12837 B12R2.1286 Nc1cccc(n1)SC2CC2 62a_100000740741_100000211595 [0,1,0,1,0,0|2,0,0]=4 12838 B12R2.1286 Nc1ccnc(c1)SC2CC2 62a_100009814236_100000211595 [0,1,0,1,0,0|2,0,0]=4 12839 B12R2.1286 Oc1cccc(n1)NC2CC2 271570a_203496583355_200011960445 [0,1,0,1,0,0|2,0,0]=4 12840 B12R2.1286 Oc1cccc(n1)OC2CC2 271570a_203496583355_100010191207 [0,1,0,1,0,0|2,0,0]=4 12841 B12R2.1286 Oc1ccnc(c1)OC2CC2 271570a_203496583355_100010191144 [0,1,0,1,0,0|2,0,0]=4 12842 B12R2.2313 Fc1cccc(n1)N2CCC2 27a_100000754969_100009815982 [0,1,0,1,0,0|2,0,0]=4 12843 B12R2.2313 Fc1ccnc(c1)N2CCC2 27a_100000754969_100000764206 [0,1,0,1,0,0|2,0,0]=4 12844 B12R2.1 CNC1CCc2c1cccc2 2230a_106832991635_200000721974 [0,1,0,1,0,0|1,0,0]=3 12845 B12R2.1 CNC1CCc2c1cccc2 269862a_106832991636_100000212051 [0,1,0,1,0,0|1,0,0]=3 12846 B12R2.1 CNC1COc2c1cccc2 2230a_100000747519_200000210301 [0,1,0,1,0,0|1,0,0]=3 12847 B12R2.1 CN[C@H]1CCc2c1cccc2 2230a_100016989578_200000210301 [0,1,0,1,0,0|1,0,0]=3 12848 B12R2.1 CN[C@H]1CCc2c1cccc2 34a_100016989578_200000210301 [0,1,0,1,0,0|1,0,0]=3 12849 B12R2.1 CNc1n[nH]c2c1cccn2 27a_100102657272_100009818534 [0,1,0,1,0,0|1,0,1]=4 12850 B12R2.1 COC1CCc2c1cccc2 34a_100000212247_200000210301 [0,1,0,1,0,0|2,0,0]=4 12851 B12R2.1 COC1CCc2c1cccc2 7a_100000212247_200000210301 [0,1,0,1,0,0|2,0,0]=4 12852 B12R2.1 CSC1CCc2c1cccc2 62a_200000210301_200000721974 [0,1,0,1,0,0|2,0,0]=4 12853 B12R2.1 [13CH3]NC1COc2c1cccc2 2230a_100000747519_200025704644 [0,1,0,1,0,0|1,0,0]=3 12854 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 2230a_100016989578_200025704644 [0,1,0,1,0,0|1,0,0]=3 12855 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 34a_100016989578_200025704644 [0,1,0,1,0,0|1,0,0]=3 12856 B12R2.1 [13CH3]OC1CCc2c1cccc2 34a_100000212247_200025704644 [0,1,0,1,0,0|2,0,0]=4 12857 B12R2.1 [13CH3]OC1CCc2c1cccc2 7a_100000212247_200025704644 [0,1,0,1,0,0|2,0,0]=4 12858 B12R2.1 [13CH3]SC1CCc2c1cccc2 62a_200025704644_200000721974 [0,1,0,1,0,0|2,0,0]=4 12859 B12R2.11 CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_200000210301 [0,1,0,1,0,0|1,0,0]=3 12860 B12R2.11 CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_200000210301 [0,1,0,1,0,0|1,0,0]=3 12861 B12R2.11 CN1C[C@@H]1Cc2ccccc2 34a_100016998360_200000210301 [0,1,0,1,0,0|1,0,0]=3 12862 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 2230a_100016998360_200025704644 [0,1,0,1,0,0|1,0,0]=3 12863 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 269982a_100016998360_200025704644 [0,1,0,1,0,0|1,0,0]=3 12864 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 34a_100016998360_200025704644 [0,1,0,1,0,0|1,0,0]=3 12865 B12R2.23 CC1CCN1c2cccnn2 27a_100000755817_100016991348 [0,1,0,1,0,0|2,0,0]=4 12866 B12R2.23 CC1CCN1c2ccncn2 27a_100000755817_100000703185 [0,1,0,1,0,0|2,0,0]=4 12867 B12R2.23 CC1CCN1c2cnccn2 27a_100000755817_100000211759 [0,1,0,1,0,0|2,0,0]=4 12868 B12R2.23 CC1CCN1c2ncccn2 27a_100000755817_100000211032 [0,1,0,1,0,0|2,0,0]=4 12869 B12R2.23 CN1CCC1c2ccccc2 2230a_100000739605_200000210301 [0,1,0,1,0,0|1,0,0]=3 12870 B12R2.23 CN1CCC1c2ccccc2 269982a_100000739605_200000210301 [0,1,0,1,0,0|1,0,0]=3 12871 B12R2.23 [13CH3]N1CCC1c2ccccc2 2230a_100000739605_200025704644 [0,1,0,1,0,0|1,0,0]=3 12872 B12R2.23 [13CH3]N1CCC1c2ccccc2 269982a_100000739605_200025704644 [0,1,0,1,0,0|1,0,0]=3 12873 B12R2.2057 C(#CC1CC1)c2ccccn2 271570a_200009880635_100011216584 [0,1,0,1,0,0|1,0,1]=4 12874 B12R2.2057 C(=CC1CC1)c2ccccn2 271570a_100102526188_100011216584 [0,1,0,1,0,0|1,0,1]=4 12875 B12R2.2057 c1cc(ncn1)NCC2CC2 27a_100000735609_100000703185 [0,1,0,1,0,0|2,0,0]=4 12876 B12R2.2057 c1cc(ncn1)SCC2CC2 62a_100000703185_100000742324 [0,1,0,1,0,0|2,0,0]=4 12877 B12R2.2057 c1cc(ncn1)SCC2CC2 62a_100000756562_100000703185 [0,1,0,1,0,0|2,0,0]=4 12878 B12R2.2057 c1cc(ncn1)SCC2CO2 62a_100000703185_102125554688 [0,1,0,1,0,0|2,0,0]=4 12879 B12R2.2057 c1cc(ncn1)SCC2CO2 62a_102125554688_100000703185 [0,1,0,1,0,0|2,0,0]=4 12880 B12R2.2057 c1cc(ncn1)SCC2CS2 62a_100000031435_100000703185 [0,1,0,1,0,0|2,0,0]=4 12881 B12R2.2057 c1cc(ncn1)SCC2CS2 62a_100000703185_100000031435 [0,1,0,1,0,0|2,0,0]=4 12882 B12R2.2057 c1cc(ncn1)SC[C@@H]2CO2 62a_100000703185_100000745022 [0,1,0,1,0,0|2,0,0]=4 12883 B12R2.2057 c1cc(ncn1)SC[C@@H]2CO2 62a_100000745022_100000703185 [0,1,0,1,0,0|2,0,0]=4 12884 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100000212008_100015291786 [0,1,0,1,0,0|2,0,0]=4 12885 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100015324214_100000211595 [0,1,0,1,0,0|2,0,0]=4 12886 B12R2.2057 c1ccc(cc1)COC2CC2 34a_100000210790_100000211595 [0,1,0,1,0,0|2,0,0]=4 12887 B12R2.2057 c1ccc(cc1)CSC2CC2 62a_100000211182_100000211595 [0,1,0,1,0,0|2,0,0]=4 12888 B12R2.2057 c1ccc(cc1)NCC2CC2 34a_100000106764_100000742324 [0,1,0,1,0,0|2,0,0]=4 12889 B12R2.2057 c1ccc(cc1)NCC2CO2 34a_100000106764_102125554688 [0,1,0,1,0,0|2,0,0]=4 12890 B12R2.2057 c1ccc(cc1)OCC2CC2 34a_100000210340_100000742324 [0,1,0,1,0,0|2,0,0]=4 12891 B12R2.2057 c1ccc(cc1)OCC2CC2 7a_100000210340_100000742324 [0,1,0,1,0,0|2,0,0]=4 12892 B12R2.2057 c1ccc(cc1)OCC2CO2 34a_100000210340_102125554688 [0,1,0,1,0,0|2,0,0]=4 12893 B12R2.2057 c1ccc(cc1)OCC2CO2 7a_100000210340_102125554688 [0,1,0,1,0,0|2,0,0]=4 12894 B12R2.2057 c1ccc(cc1)OCC2CS2 7a_100000210340_100000031435 [0,1,0,1,0,0|2,0,0]=4 12895 B12R2.2057 c1ccc(cc1)OC[C@@H]2CO2 7a_100000210340_100000745022 [0,1,0,1,0,0|2,0,0]=4 12896 B12R2.2057 c1ccc(cc1)SCC2CC2 62a_100000719477_100000742324 [0,1,0,1,0,0|2,0,0]=4 12897 B12R2.2057 c1ccc(cc1)SCC2CC2 62a_100000756562_100000041952 [0,1,0,1,0,0|2,0,0]=4 12898 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_100000719477_102125554688 [0,1,0,1,0,0|2,0,0]=4 12899 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_102125554688_100000041952 [0,1,0,1,0,0|2,0,0]=4 12900 B12R2.2057 c1ccc(cc1)SCC2CS2 62a_100000031435_100000041952 [0,1,0,1,0,0|2,0,0]=4 12901 B12R2.2057 c1ccc(cc1)SCC2CS2 62a_100000719477_100000031435 [0,1,0,1,0,0|2,0,0]=4 12902 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000719477_100000745022 [0,1,0,1,0,0|2,0,0]=4 12903 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000041952 [0,1,0,1,0,0|2,0,0]=4 12904 B12R2.2057 c1ccc(nc1)CNC2CC2 34a_100000212008_100000721315 [0,1,0,1,0,0|1,0,0]=3 12905 B12R2.2057 c1ccc(nc1)CSC2CC2 62a_100000721315_100000211595 [0,1,0,1,0,0|1,0,0]=3 12906 B12R2.2057 c1ccc(nc1)SCC2CC2 62a_100000756562_100011216584 [0,1,0,1,0,0|1,0,0]=3 12907 B12R2.2057 c1ccc(nc1)SCC2CC2 62a_100011216584_100000742324 [0,1,0,1,0,0|1,0,0]=3 12908 B12R2.2057 c1ccc(nc1)SCC2CO2 62a_100011216584_102125554688 [0,1,0,1,0,0|1,0,0]=3 12909 B12R2.2057 c1ccc(nc1)SCC2CO2 62a_102125554688_100011216584 [0,1,0,1,0,0|1,0,0]=3 12910 B12R2.2057 c1ccc(nc1)SCC2CS2 62a_100000031435_100011216584 [0,1,0,1,0,0|1,0,0]=3 12911 B12R2.2057 c1ccc(nc1)SCC2CS2 62a_100011216584_100000031435 [0,1,0,1,0,0|1,0,0]=3 12912 B12R2.2057 c1ccc(nc1)SC[C@@H]2CO2 62a_100000745022_100011216584 [0,1,0,1,0,0|1,0,0]=3 12913 B12R2.2057 c1ccc(nc1)SC[C@@H]2CO2 62a_100011216584_100000745022 [0,1,0,1,0,0|1,0,0]=3 12914 B12R2.2057 c1cnc(cn1)CNC2CC2 34a_100000212008_100016995436 [0,1,0,1,0,0|2,0,0]=4 12915 B12R2.2057 c1cnc(cn1)CSC2CC2 62a_100016995436_100000211595 [0,1,0,1,0,0|2,0,0]=4 12916 B12R2.2057 c1cnc(cn1)NCC2CC2 27a_100000735609_100000211759 [0,1,0,1,0,0|2,0,0]=4 12917 B12R2.2057 c1cnc(cn1)SCC2CC2 62a_100000211759_100000742324 [0,1,0,1,0,0|2,0,0]=4 12918 B12R2.2057 c1cnc(cn1)SCC2CC2 62a_100000756562_100000211759 [0,1,0,1,0,0|2,0,0]=4 12919 B12R2.2057 c1cnc(cn1)SCC2CO2 62a_100000211759_102125554688 [0,1,0,1,0,0|2,0,0]=4 12920 B12R2.2057 c1cnc(cn1)SCC2CO2 62a_102125554688_100000211759 [0,1,0,1,0,0|2,0,0]=4 12921 B12R2.2057 c1cnc(cn1)SCC2CS2 62a_100000031435_100000211759 [0,1,0,1,0,0|2,0,0]=4 12922 B12R2.2057 c1cnc(cn1)SCC2CS2 62a_100000211759_100000031435 [0,1,0,1,0,0|2,0,0]=4 12923 B12R2.2057 c1cnc(cn1)SC[C@@H]2CO2 62a_100000211759_100000745022 [0,1,0,1,0,0|2,0,0]=4 12924 B12R2.2057 c1cnc(cn1)SC[C@@H]2CO2 62a_100000745022_100000211759 [0,1,0,1,0,0|2,0,0]=4 12925 B12R2.2057 c1cnc(nc1)CNC2CC2 34a_100000212008_100000703007 [0,1,0,1,0,0|2,0,0]=4 12926 B12R2.2057 c1cnc(nc1)CSC2CC2 62a_100000703007_100000211595 [0,1,0,1,0,0|2,0,0]=4 12927 B12R2.2057 c1cnc(nc1)NCC2CC2 27a_100000735609_100000211032 [0,1,0,1,0,0|2,0,0]=4 12928 B12R2.2057 c1cnc(nc1)SCC2CC2 62a_100000211032_100000742324 [0,1,0,1,0,0|2,0,0]=4 12929 B12R2.2057 c1cnc(nc1)SCC2CC2 62a_100000756562_100000211032 [0,1,0,1,0,0|2,0,0]=4 12930 B12R2.2057 c1cnc(nc1)SCC2CO2 62a_100000211032_102125554688 [0,1,0,1,0,0|2,0,0]=4 12931 B12R2.2057 c1cnc(nc1)SCC2CO2 62a_102125554688_100000211032 [0,1,0,1,0,0|2,0,0]=4 12932 B12R2.2057 c1cnc(nc1)SCC2CS2 62a_100000031435_100000211032 [0,1,0,1,0,0|2,0,0]=4 12933 B12R2.2057 c1cnc(nc1)SCC2CS2 62a_100000211032_100000031435 [0,1,0,1,0,0|2,0,0]=4 12934 B12R2.2057 c1cnc(nc1)SC[C@@H]2CO2 62a_100000211032_100000745022 [0,1,0,1,0,0|2,0,0]=4 12935 B12R2.2057 c1cnc(nc1)SC[C@@H]2CO2 62a_100000745022_100000211032 [0,1,0,1,0,0|2,0,0]=4 12936 B12R2.2057 c1cnnc(c1)CNC2CC2 34a_100000212008_100016990269 [0,1,0,1,0,0|2,0,0]=4 12937 B12R2.2057 c1cnnc(c1)CSC2CC2 62a_100016990269_100000211595 [0,1,0,1,0,0|2,0,0]=4 12938 B12R2.2057 c1cnnc(c1)NCC2CC2 27a_100000735609_100016991348 [0,1,0,1,0,0|2,0,0]=4 12939 B12R2.2057 c1cnnc(c1)SCC2CC2 62a_100000756562_100016991348 [0,1,0,1,0,0|2,0,0]=4 12940 B12R2.2057 c1cnnc(c1)SCC2CC2 62a_100016991348_100000742324 [0,1,0,1,0,0|2,0,0]=4 12941 B12R2.2057 c1cnnc(c1)SCC2CO2 62a_100016991348_102125554688 [0,1,0,1,0,0|2,0,0]=4 12942 B12R2.2057 c1cnnc(c1)SCC2CO2 62a_102125554688_100016991348 [0,1,0,1,0,0|2,0,0]=4 12943 B12R2.2057 c1cnnc(c1)SCC2CS2 62a_100000031435_100016991348 [0,1,0,1,0,0|2,0,0]=4 12944 B12R2.2057 c1cnnc(c1)SCC2CS2 62a_100016991348_100000031435 [0,1,0,1,0,0|2,0,0]=4 12945 B12R2.2057 c1cnnc(c1)SC[C@@H]2CO2 62a_100000745022_100016991348 [0,1,0,1,0,0|2,0,0]=4 12946 B12R2.2057 c1cnnc(c1)SC[C@@H]2CO2 62a_100016991348_100000745022 [0,1,0,1,0,0|2,0,0]=4 12947 B12R2.2058 c1cc(ncn1)NC2CCC2 27a_100000749019_100000703185 [0,1,0,1,0,0|2,0,0]=4 12948 B12R2.2058 c1cc(ncn1)NC2COC2 27a_100016991112_100000703185 [0,1,0,1,0,0|2,0,0]=4 12949 B12R2.2058 c1cc(ncn1)NC2CSC2 27a_100016994217_100000703185 [0,1,0,1,0,0|2,0,0]=4 12950 B12R2.2058 c1cc(ncn1)SC2CCC2 62a_100000703185_100000749161 [0,1,0,1,0,0|2,0,0]=4 12951 B12R2.2058 c1cc(ncn1)SC2COC2 62a_100000703185_100009818527 [0,1,0,1,0,0|2,0,0]=4 12952 B12R2.2058 c1ccc(cc1)CN2CCC2 269982a_100000754969_100000211182 [0,1,0,1,0,0|2,0,0]=4 12953 B12R2.2058 c1ccc(cc1)NC2CCC2 34a_100000106764_100000749161 [0,1,0,1,0,0|2,0,0]=4 12954 B12R2.2058 c1ccc(cc1)NC2COC2 34a_100000106764_100009818527 [0,1,0,1,0,0|2,0,0]=4 12955 B12R2.2058 c1ccc(cc1)OC2CCC2 34a_100000210340_100000749161 [0,1,0,1,0,0|2,0,0]=4 12956 B12R2.2058 c1ccc(cc1)OC2COC2 34a_100000210340_100009818527 [0,1,0,1,0,0|2,0,0]=4 12957 B12R2.2058 c1ccc(cc1)OC2COC2 7a_100000210340_100009818527 [0,1,0,1,0,0|2,0,0]=4 12958 B12R2.2058 c1ccc(cc1)SC2CCC2 62a_100000719477_100000749161 [0,1,0,1,0,0|2,0,0]=4 12959 B12R2.2058 c1ccc(cc1)SC2COC2 62a_100000719477_100009818527 [0,1,0,1,0,0|2,0,0]=4 12960 B12R2.2058 c1ccc(nc1)CN2CCC2 269982a_100000754969_100000721315 [0,1,0,1,0,0|1,0,0]=3 12961 B12R2.2058 c1ccc(nc1)SC2CCC2 62a_100011216584_100000749161 [0,1,0,1,0,0|1,0,0]=3 12962 B12R2.2058 c1ccc(nc1)SC2COC2 62a_100011216584_100009818527 [0,1,0,1,0,0|1,0,0]=3 12963 B12R2.2058 c1cnc(cn1)CN2CCC2 269982a_100000754969_100016995436 [0,1,0,1,0,0|2,0,0]=4 12964 B12R2.2058 c1cnc(cn1)NC2CCC2 27a_100000749019_100000211759 [0,1,0,1,0,0|2,0,0]=4 12965 B12R2.2058 c1cnc(cn1)NC2COC2 27a_100016991112_100000211759 [0,1,0,1,0,0|2,0,0]=4 12966 B12R2.2058 c1cnc(cn1)NC2CSC2 27a_100016994217_100000211759 [0,1,0,1,0,0|2,0,0]=4 12967 B12R2.2058 c1cnc(cn1)SC2CCC2 62a_100000211759_100000749161 [0,1,0,1,0,0|2,0,0]=4 12968 B12R2.2058 c1cnc(cn1)SC2COC2 62a_100000211759_100009818527 [0,1,0,1,0,0|2,0,0]=4 12969 B12R2.2058 c1cnc(nc1)CN2CCC2 269982a_100000754969_100000703007 [0,1,0,1,0,0|2,0,0]=4 12970 B12R2.2058 c1cnc(nc1)NC2CCC2 27a_100000749019_100000211032 [0,1,0,1,0,0|2,0,0]=4 12971 B12R2.2058 c1cnc(nc1)NC2COC2 27a_100016991112_100000211032 [0,1,0,1,0,0|2,0,0]=4 12972 B12R2.2058 c1cnc(nc1)NC2CSC2 27a_100016994217_100000211032 [0,1,0,1,0,0|2,0,0]=4 12973 B12R2.2058 c1cnc(nc1)SC2CCC2 62a_100000211032_100000749161 [0,1,0,1,0,0|2,0,0]=4 12974 B12R2.2058 c1cnc(nc1)SC2COC2 62a_100000211032_100009818527 [0,1,0,1,0,0|2,0,0]=4 12975 B12R2.2058 c1cnnc(c1)NC2CCC2 27a_100000749019_100016991348 [0,1,0,1,0,0|2,0,0]=4 12976 B12R2.2058 c1cnnc(c1)NC2COC2 27a_100016991112_100016991348 [0,1,0,1,0,0|2,0,0]=4 12977 B12R2.2058 c1cnnc(c1)NC2CSC2 27a_100016994217_100016991348 [0,1,0,1,0,0|2,0,0]=4 12978 B12R2.2058 c1cnnc(c1)SC2CCC2 62a_100016991348_100000749161 [0,1,0,1,0,0|2,0,0]=4 12979 B12R2.2058 c1cnnc(c1)SC2COC2 62a_100016991348_100009818527 [0,1,0,1,0,0|2,0,0]=4 12980 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,1,0,1,0,0|2,0,0]=4 12981 B12R2.3190 CN(C)C1Cc2c1cccc2 269982a_100102631434_100009813401 [0,1,0,1,0,0|1,0,0]=3 12982 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,1,0,1,0,0|2,0,0]=4 12983 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [1,0,0,0,1,0|2,0,0]=4 12984 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [1,0,0,0,1,0|2,0,0]=4 12985 B8R1.8 CCSc1c[nH]cn1 62a_100000210202_100000756875 [1,0,0,0,1,0|2,0,0]=4 12986 B8R1.8 CCSc1c[nH]cn1 62a_100000756875_100000210202 [1,0,0,0,1,0|2,0,0]=4 12987 B8R1.8 CCSc1cc[nH]n1 62a_100000062575_100000210202 [1,0,0,0,1,0|2,0,0]=4 12988 B8R1.8 CCSc1cc[nH]n1 62a_100000210202_100000062575 [1,0,0,0,1,0|2,0,0]=4 12989 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [1,0,0,0,1,0|2,0,0]=4 12990 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [1,0,0,0,1,0|2,0,0]=4 12991 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [1,0,0,0,1,0|2,0,0]=4 12992 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [1,0,0,0,1,0|2,0,0]=4 12993 B8R1.8 CCSc1ccoc1 62a_100000210202_100011215275 [1,0,0,0,1,0|2,0,0]=4 12994 B8R1.8 CCSc1ccoc1 62a_100011215275_100000210202 [1,0,0,0,1,0|2,0,0]=4 12995 B8R1.8 CCSc1ccon1 62a_100000210202_100009818083 [1,0,0,0,1,0|2,0,0]=4 12996 B8R1.8 CCSc1ccon1 62a_100009818083_100000210202 [1,0,0,0,1,0|2,0,0]=4 12997 B8R1.8 CCSc1ccsc1 62a_100000210202_100000738268 [1,0,0,0,1,0|2,0,0]=4 12998 B8R1.8 CCSc1ccsc1 62a_100000738268_100000210202 [1,0,0,0,1,0|2,0,0]=4 12999 B8R1.8 CCSc1ccsn1 62a_100000210202_100009818082 [1,0,0,0,1,0|2,0,0]=4 13000 B8R1.8 CCSc1ccsn1 62a_100009818082_100000210202 [1,0,0,0,1,0|2,0,0]=4 13001 B8R1.8 CCSc1cscn1 62a_100000210202_100000751502 [1,0,0,0,1,0|2,0,0]=4 13002 B8R1.8 CCSc1cscn1 62a_100000751502_100000210202 [1,0,0,0,1,0|2,0,0]=4 13003 B8R1.8 CCSc1ncc[nH]1 62a_100000210202_100025796157 [1,0,0,0,1,0|2,0,0]=4 13004 B8R1.8 CCSc1ncc[nH]1 62a_100025796157_100000210202 [1,0,0,0,1,0|2,0,0]=4 13005 B8R1.8 CCSc1ncco1 62a_100000210202_100011787736 [1,0,0,0,1,0|2,0,0]=4 13006 B8R1.8 CCSc1ncco1 62a_100011787736_100000210202 [1,0,0,0,1,0|2,0,0]=4 13007 B8R1.8 CCSc1nccs1 62a_100000210202_100000211983 [1,0,0,0,1,0|2,0,0]=4 13008 B8R1.8 CCSc1nccs1 62a_100000211983_100000210202 [1,0,0,0,1,0|2,0,0]=4 13009 B8R1.8 CNCc1c[nH]cn1 2230a_106832991635_100000707719 [1,0,0,0,1,0|1,0,0]=3 13010 B8R1.8 CNCc1c[nH]cn1 34a_100102657272_100000707719 [1,0,0,0,1,0|1,0,0]=3 13011 B8R1.8 CNCc1cc[nH]n1 207a_100102657272_100000738523 [1,0,0,0,1,0|1,0,0]=3 13012 B8R1.8 CNCc1cc[nH]n1 270004a_106832991635_100000738523 [1,0,0,0,1,0|1,0,0]=3 13013 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [1,0,0,0,1,0|1,0,0]=3 13014 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [1,0,0,0,1,0|1,0,0]=3 13015 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [1,0,0,0,1,0|1,0,0]=3 13016 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [1,0,0,0,1,0|1,0,0]=3 13017 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [1,0,0,0,1,0|1,0,0]=3 13018 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [1,0,0,0,1,0|1,0,0]=3 13019 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [1,0,0,0,1,0|1,0,0]=3 13020 B8R1.8 CNCc1ccn[nH]1 2230a_106832991635_100000728653 [1,0,0,0,1,0|1,0,1]=4 13021 B8R1.8 CNCc1ccn[nH]1 34a_100102657272_100000728653 [1,0,0,0,1,0|1,0,1]=4 13022 B8R1.8 CNCc1ccn[nH]1 7a_106832991635_100000728653 [1,0,0,0,1,0|1,0,1]=4 13023 B8R1.8 CNCc1ccoc1 207a_100102657272_100011215517 [1,0,0,0,1,0|1,0,0]=3 13024 B8R1.8 CNCc1ccoc1 2230a_100015206860_200000210301 [1,0,0,0,1,0|1,0,0]=3 13025 B8R1.8 CNCc1ccoc1 270004a_106832991635_100011215517 [1,0,0,0,1,0|1,0,0]=3 13026 B8R1.8 CNCc1ccoc1 34a_100015206860_200000210301 [1,0,0,0,1,0|1,0,0]=3 13027 B8R1.8 CNCc1ccon1 2230a_106832991635_100000234950 [1,0,0,0,1,0|1,0,0]=3 13028 B8R1.8 CNCc1ccon1 34a_100102657272_100000234950 [1,0,0,0,1,0|1,0,0]=3 13029 B8R1.8 CNCc1ccon1 7a_106832991635_100000234950 [1,0,0,0,1,0|1,0,0]=3 13030 B8R1.8 CNCc1ccsc1 207a_100102657272_100000188534 [1,0,0,0,1,0|1,0,0]=3 13031 B8R1.8 CNCc1ccsc1 2230a_100000186416_200000210301 [1,0,0,0,1,0|1,0,0]=3 13032 B8R1.8 CNCc1ccsc1 2230a_106832991635_100011261437 [1,0,0,0,1,0|1,0,0]=3 13033 B8R1.8 CNCc1ccsc1 270004a_106832991635_100000188534 [1,0,0,0,1,0|1,0,0]=3 13034 B8R1.8 CNCc1ccsc1 34a_100000186416_200000210301 [1,0,0,0,1,0|1,0,0]=3 13035 B8R1.8 CNCc1ccsc1 34a_100102657272_100011261437 [1,0,0,0,1,0|1,0,0]=3 13036 B8R1.8 CNCc1ccsc1 7a_106832991635_100011261437 [1,0,0,0,1,0|1,0,0]=3 13037 B8R1.8 CNCc1cn[nH]c1 207a_100102657272_100016992096 [1,0,0,0,1,0|2,0,0]=4 13038 B8R1.8 CNCc1cn[nH]c1 270004a_106832991635_100016992096 [1,0,0,0,1,0|2,0,0]=4 13039 B8R1.8 CNCc1cnc[nH]1 207a_100102657272_100000742939 [1,0,0,0,1,0|1,0,1]=4 13040 B8R1.8 CNCc1cnco1 270004a_106832991635_100000064291 [1,0,0,0,1,0|2,0,0]=4 13041 B8R1.8 CNCc1cncs1 207a_100102657272_100000749870 [1,0,0,0,1,0|2,0,0]=4 13042 B8R1.8 CNCc1cncs1 2230a_100016987365_200000210301 [1,0,0,0,1,0|2,0,0]=4 13043 B8R1.8 CNCc1cncs1 2230a_106832991635_100015185245 [1,0,0,0,1,0|2,0,0]=4 13044 B8R1.8 CNCc1cncs1 270004a_106832991635_100000749870 [1,0,0,0,1,0|2,0,0]=4 13045 B8R1.8 CNCc1cncs1 34a_100102657272_100015185245 [1,0,0,0,1,0|2,0,0]=4 13046 B8R1.8 CNCc1cncs1 7a_106832991635_100015185245 [1,0,0,0,1,0|2,0,0]=4 13047 B8R1.8 CNCc1cocn1 270004a_106832991635_100000050382 [1,0,0,0,1,0|1,0,0]=3 13048 B8R1.8 CNCc1cscn1 207a_100102657272_100000743575 [1,0,0,0,1,0|1,0,0]=3 13049 B8R1.8 CNCc1cscn1 2230a_100015185402_200000210301 [1,0,0,0,1,0|1,0,0]=3 13050 B8R1.8 CNCc1cscn1 2230a_106832991635_100000205941 [1,0,0,0,1,0|1,0,0]=3 13051 B8R1.8 CNCc1cscn1 270004a_106832991635_100000743575 [1,0,0,0,1,0|1,0,0]=3 13052 B8R1.8 CNCc1cscn1 34a_100102657272_100000205941 [1,0,0,0,1,0|1,0,0]=3 13053 B8R1.8 CNCc1cscn1 7a_106832991635_100000205941 [1,0,0,0,1,0|1,0,0]=3 13054 B8R1.8 CNCc1csnn1 270004a_106832991635_100000738508 [1,0,0,0,1,0|2,0,0]=4 13055 B8R1.8 CNCc1ncc[nH]1 207a_100102657272_100000743867 [1,0,0,0,1,0|1,0,0]=3 13056 B8R1.8 CNCc1ncc[nH]1 2230a_106832991635_100016991755 [1,0,0,0,1,0|1,0,0]=3 13057 B8R1.8 CNCc1ncc[nH]1 34a_100102657272_100016991755 [1,0,0,0,1,0|1,0,0]=3 13058 B8R1.8 CNCc1ncc[nH]1 7a_106832991635_100000753453 [1,0,0,0,1,0|1,0,0]=3 13059 B8R1.8 CNCc1ncco1 2230a_100016994969_200000210301 [1,0,0,0,1,0|1,0,0]=3 13060 B8R1.8 CNCc1ncco1 2230a_106832991635_103436540062 [1,0,0,0,1,0|1,0,0]=3 13061 B8R1.8 CNCc1ncco1 270004a_106832991635_100000064290 [1,0,0,0,1,0|1,0,0]=3 13062 B8R1.8 CNCc1ncco1 34a_100102657272_103436540062 [1,0,0,0,1,0|1,0,0]=3 13063 B8R1.8 CNCc1ncco1 7a_106832991635_103436540062 [1,0,0,0,1,0|1,0,0]=3 13064 B8R1.8 CNCc1nccs1 207a_100102657272_100000750902 [1,0,0,0,1,0|1,0,0]=3 13065 B8R1.8 CNCc1nccs1 2230a_100000740555_200000210301 [1,0,0,0,1,0|1,0,0]=3 13066 B8R1.8 CNCc1nccs1 2230a_106832991635_100015184050 [1,0,0,0,1,0|1,0,0]=3 13067 B8R1.8 CNCc1nccs1 270004a_106832991635_100000750902 [1,0,0,0,1,0|1,0,0]=3 13068 B8R1.8 CNCc1nccs1 34a_100102657272_100015184050 [1,0,0,0,1,0|1,0,0]=3 13069 B8R1.8 CNCc1nccs1 7a_106832991635_100015184050 [1,0,0,0,1,0|1,0,0]=3 13070 B8R1.8 CNCc1ncon1 34a_100102657272_100000233494 [1,0,0,0,1,0|2,0,0]=4 13071 B8R1.8 CNCc1nnc[nH]1 2230a_200015183720_200000210301 [1,0,0,0,1,0|2,0,0]=4 13072 B8R1.8 CNCn1cncn1 2230a_106832991635_200020645497 [1,0,0,0,1,0|2,0,0]=4 13073 B8R1.8 CNCn1cncn1 34a_100102657272_200020645497 [1,0,0,0,1,0|2,0,0]=4 13074 B8R1.8 CNCn1cncn1 7a_106832991635_200020645497 [1,0,0,0,1,0|2,0,0]=4 13075 B8R1.8 COCc1c[nH]cn1 34a_100138415774_100000707719 [1,0,0,0,1,0|2,0,0]=4 13076 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [1,0,0,0,1,0|2,0,0]=4 13077 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [1,0,0,0,1,0|2,0,0]=4 13078 B8R1.8 COCc1ccoc1 34a_100011215357_200000210301 [1,0,0,0,1,0|2,0,0]=4 13079 B8R1.8 COCc1ccon1 34a_100138415774_100000234950 [1,0,0,0,1,0|2,0,0]=4 13080 B8R1.8 COCc1ccsc1 34a_100011215551_200000210301 [1,0,0,0,1,0|2,0,0]=4 13081 B8R1.8 COCc1ccsc1 34a_100138415774_100011261437 [1,0,0,0,1,0|2,0,0]=4 13082 B8R1.8 COCc1cscn1 34a_100138415774_100000205941 [1,0,0,0,1,0|2,0,0]=4 13083 B8R1.8 COCc1ncc[nH]1 34a_100138415774_100016991755 [1,0,0,0,1,0|2,0,0]=4 13084 B8R1.8 COCc1ncco1 34a_100000062594_200000210301 [1,0,0,0,1,0|2,0,0]=4 13085 B8R1.8 COCc1ncco1 34a_100138415774_103436540062 [1,0,0,0,1,0|2,0,0]=4 13086 B8R1.8 COCc1nccs1 34a_100138415774_100015184050 [1,0,0,0,1,0|2,0,0]=4 13087 B8R1.8 COCn1cccn1 34a_100000731028_200000210301 [1,0,0,0,1,0|2,0,0]=4 13088 B8R1.8 CSCc1c[nH]cn1 62a_100000707719_200000210301 [1,0,0,0,1,0|2,0,0]=4 13089 B8R1.8 CSCc1c[nH]cn1 62a_200000210301_100000707719 [1,0,0,0,1,0|2,0,0]=4 13090 B8R1.8 CSCc1ccon1 62a_100000234950_200000210301 [1,0,0,0,1,0|2,0,0]=4 13091 B8R1.8 CSCc1ccon1 62a_200000210301_100000234950 [1,0,0,0,1,0|2,0,0]=4 13092 B8R1.8 CSCc1ccsc1 62a_100011261437_200000210301 [1,0,0,0,1,0|2,0,0]=4 13093 B8R1.8 CSCc1ccsc1 62a_200000210301_100011233845 [1,0,0,0,1,0|2,0,0]=4 13094 B8R1.8 CSCc1cscn1 62a_100000205941_200000210301 [1,0,0,0,1,0|2,0,0]=4 13095 B8R1.8 CSCc1cscn1 62a_200000210301_100000205941 [1,0,0,0,1,0|2,0,0]=4 13096 B8R1.8 CSCc1ncc[nH]1 62a_100016991755_200000210301 [1,0,0,0,1,0|2,0,0]=4 13097 B8R1.8 CSCc1ncc[nH]1 62a_200000210301_100016991755 [1,0,0,0,1,0|2,0,0]=4 13098 B8R1.8 CSCc1ncco1 62a_103436540062_200000210301 [1,0,0,0,1,0|2,0,0]=4 13099 B8R1.8 CSCc1ncco1 62a_200000210301_103436540062 [1,0,0,0,1,0|2,0,0]=4 13100 B8R1.8 CSCc1nccs1 62a_100015184050_200000210301 [1,0,0,0,1,0|2,0,0]=4 13101 B8R1.8 CSCc1nccs1 62a_200000210301_100015184050 [1,0,0,0,1,0|2,0,0]=4 13102 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [1,0,0,0,1,0|1,0,0]=3 13103 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [1,0,0,0,1,0|1,0,0]=3 13104 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [1,0,0,0,1,0|1,0,0]=3 13105 B8R1.8 [13CH3]NCc1ccoc1 2230a_100015206860_200025704644 [1,0,0,0,1,0|1,0,0]=3 13106 B8R1.8 [13CH3]NCc1ccoc1 34a_100015206860_200025704644 [1,0,0,0,1,0|1,0,0]=3 13107 B8R1.8 [13CH3]NCc1ccsc1 2230a_100000186416_200025704644 [1,0,0,0,1,0|1,0,0]=3 13108 B8R1.8 [13CH3]NCc1ccsc1 34a_100000186416_200025704644 [1,0,0,0,1,0|1,0,0]=3 13109 B8R1.8 [13CH3]NCc1cncs1 2230a_100016987365_200025704644 [1,0,0,0,1,0|2,0,0]=4 13110 B8R1.8 [13CH3]NCc1cscn1 2230a_100015185402_200025704644 [1,0,0,0,1,0|1,0,0]=3 13111 B8R1.8 [13CH3]NCc1ncco1 2230a_100016994969_200025704644 [1,0,0,0,1,0|1,0,0]=3 13112 B8R1.8 [13CH3]NCc1nccs1 2230a_100000740555_200025704644 [1,0,0,0,1,0|1,0,0]=3 13113 B8R1.8 [13CH3]NCc1nnc[nH]1 2230a_200015183720_200025704644 [1,0,0,0,1,0|2,0,0]=4 13114 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [1,0,0,0,1,0|2,0,0]=4 13115 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [1,0,0,0,1,0|2,0,0]=4 13116 B8R1.8 [13CH3]OCc1ccoc1 34a_100011215357_200025704644 [1,0,0,0,1,0|2,0,0]=4 13117 B8R1.8 [13CH3]OCc1ccsc1 34a_100011215551_200025704644 [1,0,0,0,1,0|2,0,0]=4 13118 B8R1.8 [13CH3]OCc1ncco1 34a_100000062594_200025704644 [1,0,0,0,1,0|2,0,0]=4 13119 B8R1.8 [13CH3]OCn1cccn1 34a_100000731028_200025704644 [1,0,0,0,1,0|2,0,0]=4 13120 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_100000707719_200025704644 [1,0,0,0,1,0|2,0,0]=4 13121 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_200025704644_100000707719 [1,0,0,0,1,0|2,0,0]=4 13122 B8R1.8 [13CH3]SCc1ccon1 62a_100000234950_200025704644 [1,0,0,0,1,0|2,0,0]=4 13123 B8R1.8 [13CH3]SCc1ccon1 62a_200025704644_100000234950 [1,0,0,0,1,0|2,0,0]=4 13124 B8R1.8 [13CH3]SCc1ccsc1 62a_100011261437_200025704644 [1,0,0,0,1,0|2,0,0]=4 13125 B8R1.8 [13CH3]SCc1ccsc1 62a_200025704644_100011233845 [1,0,0,0,1,0|2,0,0]=4 13126 B8R1.8 [13CH3]SCc1cscn1 62a_100000205941_200025704644 [1,0,0,0,1,0|2,0,0]=4 13127 B8R1.8 [13CH3]SCc1cscn1 62a_200025704644_100000205941 [1,0,0,0,1,0|2,0,0]=4 13128 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_100016991755_200025704644 [1,0,0,0,1,0|2,0,0]=4 13129 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_200025704644_100016991755 [1,0,0,0,1,0|2,0,0]=4 13130 B8R1.8 [13CH3]SCc1ncco1 62a_103436540062_200025704644 [1,0,0,0,1,0|2,0,0]=4 13131 B8R1.8 [13CH3]SCc1ncco1 62a_200025704644_103436540062 [1,0,0,0,1,0|2,0,0]=4 13132 B8R1.8 [13CH3]SCc1nccs1 62a_100015184050_200025704644 [1,0,0,0,1,0|2,0,0]=4 13133 B8R1.8 [13CH3]SCc1nccs1 62a_200025704644_100015184050 [1,0,0,0,1,0|2,0,0]=4