0 B11R2.1 Oc1csc2c1nccn2 271570a_203496583355_100010174841 [0,0,0,0,0,0|2,0,2]=4 1 B11R2.1 Oc1n[nH]c2c1nccn2 271570a_203496583355_100009819591 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.1 CNC1CCc2c1cccc2 2230a_106832991635_200000721974 [0,1,0,0,0,0|2,0,0]=3 3 B12R2.1 CNC1CCc2c1cccc2 269862a_106832991636_100000212051 [0,1,0,0,0,0|2,0,0]=3 4 B12R2.1 CNC1COc2c1cccc2 2230a_100000747519_200000210301 [0,1,0,0,0,0|3,0,0]=4 5 B12R2.1 CN[C@H]1CCc2c1cccc2 2230a_100016989578_200000210301 [0,1,0,0,0,0|2,0,0]=3 6 B12R2.1 CN[C@H]1CCc2c1cccc2 34a_100016989578_200000210301 [0,1,0,0,0,0|2,0,0]=3 7 B12R2.1 CNc1csc2c1nccn2 27a_100102657272_100010174841 [0,1,0,0,0,0|1,0,2]=4 8 B12R2.1 CNc1n[nH]c2c1nccn2 27a_100102657272_100009819591 [0,1,0,0,0,0|2,0,1]=4 9 B12R2.1 COC1CCc2c1cccc2 34a_100000212247_200000210301 [0,1,0,0,0,0|2,0,0]=3 10 B12R2.1 COC1CCc2c1cccc2 7a_100000212247_200000210301 [0,1,0,0,0,0|2,0,0]=3 11 B12R2.1 CSC1CCc2c1cccc2 62a_200000210301_200000721974 [0,1,0,0,0,0|2,0,0]=3 12 B12R2.1 CSc1c[nH]c2c1nccn2 62a_200000210301_100009819587 [0,1,0,0,0,0|1,0,2]=4 13 B12R2.1 CSc1csc2c1nccn2 62a_200000210301_100010174841 [0,1,0,0,0,0|1,0,2]=4 14 B12R2.1 CSc1n[nH]c2c1nccn2 62a_200000210301_100009819591 [0,1,0,0,0,0|2,0,1]=4 15 B12R2.1 [13CH3]NC1COc2c1cccc2 2230a_100000747519_200025704644 [0,1,0,0,0,0|3,0,0]=4 16 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 2230a_100016989578_200025704644 [0,1,0,0,0,0|2,0,0]=3 17 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 34a_100016989578_200025704644 [0,1,0,0,0,0|2,0,0]=3 18 B12R2.1 [13CH3]OC1CCc2c1cccc2 34a_100000212247_200025704644 [0,1,0,0,0,0|2,0,0]=3 19 B12R2.1 [13CH3]OC1CCc2c1cccc2 7a_100000212247_200025704644 [0,1,0,0,0,0|2,0,0]=3 20 B12R2.1 [13CH3]SC1CCc2c1cccc2 62a_200025704644_200000721974 [0,1,0,0,0,0|2,0,0]=3 21 B12R2.1 [13CH3]Sc1c[nH]c2c1nccn2 62a_200025704644_100009819587 [0,1,0,0,0,0|1,0,2]=4 22 B12R2.1 [13CH3]Sc1csc2c1nccn2 62a_200025704644_100010174841 [0,1,0,0,0,0|1,0,2]=4 23 B12R2.1 [13CH3]Sc1n[nH]c2c1nccn2 62a_200025704644_100009819591 [0,1,0,0,0,0|2,0,1]=4 24 B12R2.132 NC1CCc2c1cc(cc2)O 271570a_203496583355_100011435097 [0,1,0,0,0,0|3,0,0]=4 25 B12R2.132 O=C1CCc2c1cc(cn2)O 271570a_203496583355_100010174022 [0,1,0,0,0,0|2,0,1]=4 26 B12R2.132 O=C1CCc2c1nc(cc2)O 271570a_203496583355_100000701527 [0,1,0,0,0,0|2,0,1]=4 27 B12R2.132 Oc1ccc2c(c1)C(CC2)O 271570a_203496583355_100011836024 [0,1,0,0,0,0|3,0,0]=4 28 B12R2.196 NC1CCc2c1cccc2O 271570a_203496583355_100000751068 [0,1,0,0,0,0|3,0,0]=4 29 B12R2.196 Oc1cccc2c1CC[C@@H]2O 271570a_203496583355_100010080924 [0,1,0,0,0,0|3,0,0]=4 30 B12R2.196 Oc1ccnc2c1CCC2O 271570a_203496583355_100009868430 [0,1,0,0,0,0|2,0,0]=3 31 B12R2.203 NC1CCc2c1c(ccc2)O 271570a_203496583355_100103168669 [0,1,0,0,0,0|3,0,0]=4 32 B12R2.612 CN1CCc2c1ccc(c2)O 271570a_203496583355_100009815432 [0,1,0,0,0,0|3,0,0]=4 33 B12R2.612 CN1CCc2c1ncc(c2)O 271570a_203496583355_200010383199 [0,1,0,0,0,0|2,0,0]=3 34 B12R2.612 Cn1ccc2c1ncc(n2)O 271570a_203496583355_100010168881 [0,1,0,0,0,0|1,0,2]=4 35 B12R2.612 NC1CCc2c1ccc(c2)O 271570a_203496583355_100000744021 [0,1,0,0,0,0|3,0,0]=4 36 B12R2.612 Oc1ccc2c(c1)CCC2O 271570a_203496583355_100000747877 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [0,0,1,0,0,0|2,0,0]=3 38 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [0,0,1,0,0,0|2,0,0]=3 39 B10R1.15 CC(N[13CH3])c1ncccn1 2230a_100020641698_200025704644 [0,0,1,0,0,0|3,0,0]=4 40 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [0,0,1,0,0,0|3,0,0]=4 41 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [0,0,1,0,0,0|3,0,0]=4 42 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200000703233_200025704644 [0,0,1,0,0,0|1,0,0]=2 43 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200025704644_200000703233 [0,0,1,0,0,0|1,0,0]=2 44 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [0,0,1,0,0,0|3,0,0]=4 45 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [0,0,1,0,0,0|3,0,0]=4 46 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [0,0,1,0,0,0|3,0,0]=4 47 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [0,0,1,0,0,0|3,0,0]=4 48 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [0,0,1,0,0,0|3,0,0]=4 49 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [0,0,1,0,0,0|3,0,0]=4 50 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [0,0,1,0,0,0|3,0,0]=4 51 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [0,0,1,0,0,0|3,0,0]=4 52 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [0,0,1,0,0,0|3,0,0]=4 53 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [0,0,1,0,0,0|3,0,0]=4 54 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [0,0,1,0,0,0|3,0,0]=4 55 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [0,0,1,0,0,0|3,0,0]=4 56 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [0,0,1,0,0,0|3,0,0]=4 57 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [0,0,1,0,0,0|2,0,0]=3 58 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [0,0,1,0,0,0|2,0,0]=3 59 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [0,0,1,0,0,0|2,0,0]=3 60 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [0,0,1,0,0,0|2,0,0]=3 61 B10R1.15 CNC(C)c1cccnn1 269862a_106832991636_100009866853 [0,0,1,0,0,0|3,0,0]=4 62 B10R1.15 CNC(C)c1ccnnc1 269862a_106832991636_100012182992 [0,0,1,0,0,0|3,0,0]=4 63 B10R1.15 CNC(C)c1cnccn1 2230a_106832991635_200000703233 [0,0,1,0,0,0|1,0,0]=2 64 B10R1.15 CNC(C)c1cnccn1 269862a_106832991636_100000751083 [0,0,1,0,0,0|1,0,0]=2 65 B10R1.15 CNC(C)c1cnccn1 7a_106832991635_200000703233 [0,0,1,0,0,0|1,0,0]=2 66 B10R1.15 CNC(C)c1cncnc1 269862a_106832991636_100000757475 [0,0,1,0,0,0|3,0,0]=4 67 B10R1.15 CNC(C)c1ncccn1 2230a_100020641698_200000210301 [0,0,1,0,0,0|3,0,0]=4 68 B10R1.15 CNC(C)c1ncccn1 270004a_106832991635_100011350828 [0,0,1,0,0,0|3,0,0]=4 69 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [0,0,1,0,0,0|3,0,0]=4 70 B10R1.15 CN[C@H](C)c1cnccn1 2230a_100020589798_200000210301 [0,0,1,0,0,0|1,0,0]=2 71 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [0,0,1,0,0,0|3,0,0]=4 72 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [0,0,1,0,0,0|3,0,0]=4 73 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [0,0,1,0,0,0|3,0,0]=4 74 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [0,0,1,0,0,0|3,0,0]=4 75 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [0,0,1,0,0,0|3,0,0]=4 76 B10R1.15 CSC(C)c1cnccn1 62a_200000210301_200000703233 [0,0,1,0,0,0|1,0,0]=2 77 B10R1.15 CSC(C)c1cnccn1 62a_200000703233_200000210301 [0,0,1,0,0,0|1,0,0]=2 78 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [0,0,1,0,0,0|3,0,0]=4 79 B10R1.15 C[C@@H](N[13CH3])c1cnccn1 2230a_100020589798_200025704644 [0,0,1,0,0,0|1,0,0]=2 80 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [0,0,1,0,0,0|3,0,0]=4 81 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [0,0,1,0,0,0|3,0,0]=4 82 B10R1.17 C#CCNc1cnccn1 27a_100000212058_100000211759 [0,0,1,0,0,0|1,0,2]=4 83 B10R1.17 C#CCSc1cnccn1 62a_100000038162_100000211759 [0,0,1,0,0,0|1,0,2]=4 84 B10R1.17 C=CCNc1cnccn1 27a_100020586998_100000211759 [0,0,1,0,0,0|1,0,2]=4 85 B10R1.17 C=CCSc1cnccn1 62a_100000210623_100000211759 [0,0,1,0,0,0|1,0,2]=4 86 B10R1.17 C=CCSc1cnccn1 62a_100000211759_100000210623 [0,0,1,0,0,0|1,0,2]=4 87 B10R1.17 CC=NNc1cnccn1 4a_100000736894_200000210099 [0,0,1,0,0,0|2,0,1]=4 88 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [0,0,1,0,0,0|2,0,0]=3 89 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [0,0,1,0,0,0|1,0,0]=2 90 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [0,0,1,0,0,0|1,0,0]=2 91 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [0,0,1,0,0,0|2,0,0]=3 92 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [0,0,1,0,0,0|3,0,0]=4 93 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [0,0,1,0,0,0|2,0,0]=3 94 B10R1.17 CCCCc1ccnnc1 271570a_100020621405_100000732662 [0,0,1,0,0,0|2,0,0]=3 95 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [0,0,1,0,0,0|0,0,0]=1 96 B10R1.17 CCCCc1cncnc1 271570a_100020621405_100011206942 [0,0,1,0,0,0|2,0,0]=3 97 B10R1.17 CCCCc1cnnnc1 271570a_100020621405_100009846058 [0,0,1,0,0,0|3,0,0]=4 98 B10R1.17 CCCCc1ncccn1 271570a_100020621405_100000211032 [0,0,1,0,0,0|2,0,0]=3 99 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [0,0,1,0,0,0|3,0,0]=4 100 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [0,0,1,0,0,0|3,0,0]=4 101 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [0,0,1,0,0,0|3,0,0]=4 102 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [0,0,1,0,0,0|2,0,0]=3 103 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [0,0,1,0,0,0|2,0,0]=3 104 B10R1.17 CCCOc1ccnnc1 34a_100015204005_100000210303 [0,0,1,0,0,0|3,0,0]=4 105 B10R1.17 CCCOc1cncnc1 7a_100000754086_100000210303 [0,0,1,0,0,0|3,0,0]=4 106 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [0,0,1,0,0,0|3,0,0]=4 107 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [0,0,1,0,0,0|3,0,0]=4 108 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [0,0,1,0,0,0|2,0,0]=3 109 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [0,0,1,0,0,0|2,0,0]=3 110 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [0,0,1,0,0,0|2,0,0]=3 111 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [0,0,1,0,0,0|2,0,0]=3 112 B10R1.17 CCCSc1cccnn1 62a_100000210303_100016991348 [0,0,1,0,0,0|3,0,0]=4 113 B10R1.17 CCCSc1cccnn1 62a_100016991348_100000210303 [0,0,1,0,0,0|3,0,0]=4 114 B10R1.17 CCCSc1ccncn1 62a_100000210303_100000703185 [0,0,1,0,0,0|3,0,0]=4 115 B10R1.17 CCCSc1ccncn1 62a_100000703185_100000210303 [0,0,1,0,0,0|3,0,0]=4 116 B10R1.17 CCCSc1ccnnc1 62a_100000210303_100000732662 [0,0,1,0,0,0|3,0,0]=4 117 B10R1.17 CCCSc1ccnnc1 62a_100000732662_100000210303 [0,0,1,0,0,0|3,0,0]=4 118 B10R1.17 CCCSc1cnccn1 62a_100000210303_100000211759 [0,0,1,0,0,0|1,0,0]=2 119 B10R1.17 CCCSc1cnccn1 62a_100000211759_100000210303 [0,0,1,0,0,0|1,0,0]=2 120 B10R1.17 CCCSc1cncnc1 62a_100000210303_100011206942 [0,0,1,0,0,0|3,0,0]=4 121 B10R1.17 CCCSc1cncnc1 62a_100011206942_100000210303 [0,0,1,0,0,0|3,0,0]=4 122 B10R1.17 CCCSc1ncccn1 62a_100000210303_100000211032 [0,0,1,0,0,0|3,0,0]=4 123 B10R1.17 CCCSc1ncccn1 62a_100000211032_100000210303 [0,0,1,0,0,0|3,0,0]=4 124 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [0,0,1,0,0,0|3,0,0]=4 125 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [0,0,1,0,0,0|3,0,0]=4 126 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [0,0,1,0,0,0|3,0,0]=4 127 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [0,0,1,0,0,0|3,0,0]=4 128 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [0,0,1,0,0,0|3,0,0]=4 129 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [0,0,1,0,0,0|2,0,0]=3 130 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [0,0,1,0,0,0|2,0,0]=3 131 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [0,0,1,0,0,0|2,0,0]=3 132 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [0,0,1,0,0,0|2,0,0]=3 133 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [0,0,1,0,0,0|2,0,0]=3 134 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [0,0,1,0,0,0|2,0,0]=3 135 B10R1.17 CCNCc1cccnn1 2230a_100015525214_100016990269 [0,0,1,0,0,0|3,0,0]=4 136 B10R1.17 CCNCc1cccnn1 2230a_100159270163_100000210202 [0,0,1,0,0,0|3,0,0]=4 137 B10R1.17 CCNCc1ccnnc1 270004a_100015525214_100011934578 [0,0,1,0,0,0|3,0,0]=4 138 B10R1.17 CCNCc1cnccn1 2230a_100015525214_100016995436 [0,0,1,0,0,0|1,0,0]=2 139 B10R1.17 CCNCc1cnccn1 270004a_100015525214_100000749867 [0,0,1,0,0,0|1,0,0]=2 140 B10R1.17 CCNCc1cncnc1 2230a_100011243677_100000210202 [0,0,1,0,0,0|3,0,0]=4 141 B10R1.17 CCNCc1cncnc1 2230a_100015525214_100015196519 [0,0,1,0,0,0|3,0,0]=4 142 B10R1.17 CCNCc1cncnc1 270004a_100015525214_100000749868 [0,0,1,0,0,0|3,0,0]=4 143 B10R1.17 CCNCc1ncccn1 2230a_100015525214_100000703007 [0,0,1,0,0,0|3,0,0]=4 144 B10R1.17 CCNCc1ncccn1 270004a_100015525214_100011532527 [0,0,1,0,0,0|3,0,0]=4 145 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [0,0,1,0,0,0|3,0,0]=4 146 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [0,0,1,0,0,0|3,0,0]=4 147 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [0,0,1,0,0,0|3,0,0]=4 148 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [0,0,1,0,0,0|2,0,0]=3 149 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [0,0,1,0,0,0|2,0,0]=3 150 B10R1.17 CCOCc1cccnn1 34a_100121572206_100016990269 [0,0,1,0,0,0|3,0,0]=4 151 B10R1.17 CCOCc1cnccn1 34a_100121572206_100016995436 [0,0,1,0,0,0|1,0,0]=2 152 B10R1.17 CCOCc1cncnc1 34a_100121572206_100015196519 [0,0,1,0,0,0|3,0,0]=4 153 B10R1.17 CCOCc1ncccn1 34a_100121572206_100000703007 [0,0,1,0,0,0|3,0,0]=4 154 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [0,0,1,0,0,0|3,0,0]=4 155 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [0,0,1,0,0,0|3,0,0]=4 156 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [0,0,1,0,0,0|2,0,0]=3 157 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [0,0,1,0,0,0|2,0,0]=3 158 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [0,0,1,0,0,0|2,0,0]=3 159 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [0,0,1,0,0,0|2,0,0]=3 160 B10R1.17 CCSCc1cccnn1 62a_100000210202_100016990269 [0,0,1,0,0,0|3,0,0]=4 161 B10R1.17 CCSCc1cccnn1 62a_100016990269_100000210202 [0,0,1,0,0,0|3,0,0]=4 162 B10R1.17 CCSCc1cnccn1 62a_100000210202_100016995436 [0,0,1,0,0,0|1,0,0]=2 163 B10R1.17 CCSCc1cnccn1 62a_100016995436_100000210202 [0,0,1,0,0,0|1,0,0]=2 164 B10R1.17 CCSCc1cncnc1 62a_100000210202_100015196519 [0,0,1,0,0,0|3,0,0]=4 165 B10R1.17 CCSCc1cncnc1 62a_100015196519_100000210202 [0,0,1,0,0,0|3,0,0]=4 166 B10R1.17 CCSCc1ncccn1 62a_100000210202_100000703007 [0,0,1,0,0,0|3,0,0]=4 167 B10R1.17 CCSCc1ncccn1 62a_100000703007_100000210202 [0,0,1,0,0,0|3,0,0]=4 168 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [0,0,1,0,0,0|3,0,0]=4 169 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [0,0,1,0,0,0|3,0,0]=4 170 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [0,0,1,0,0,0|3,0,0]=4 171 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [0,0,1,0,0,0|3,0,0]=4 172 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [0,0,1,0,0,0|3,0,0]=4 173 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [0,0,1,0,0,0|2,0,0]=3 174 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [0,0,1,0,0,0|2,0,0]=3 175 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [0,0,1,0,0,0|2,0,0]=3 176 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [0,0,1,0,0,0|2,0,0]=3 177 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [0,0,1,0,0,0|2,0,0]=3 178 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [0,0,1,0,0,0|3,0,0]=4 179 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [0,0,1,0,0,0|3,0,0]=4 180 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [0,0,1,0,0,0|3,0,0]=4 181 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [0,0,1,0,0,0|2,0,0]=3 182 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [0,0,1,0,0,0|2,0,0]=3 183 B10R1.17 COCCc1cnccn1 34a_100011349526_200000210301 [0,0,1,0,0,0|1,0,0]=2 184 B10R1.17 COCCc1cncnc1 34a_100011709255_200000210301 [0,0,1,0,0,0|3,0,0]=4 185 B10R1.17 COCSc1ccccn1 62a_100000766300_100011216584 [0,0,1,0,0,0|3,0,0]=4 186 B10R1.17 COCSc1ccccn1 62a_100011216584_100000766300 [0,0,1,0,0,0|3,0,0]=4 187 B10R1.17 COCSc1cccnc1 62a_100000210063_100000766300 [0,0,1,0,0,0|3,0,0]=4 188 B10R1.17 COCSc1cccnc1 62a_100000766300_100000210063 [0,0,1,0,0,0|3,0,0]=4 189 B10R1.17 COCSc1cnccn1 62a_100000211759_100000766300 [0,0,1,0,0,0|2,0,0]=3 190 B10R1.17 COCSc1cnccn1 62a_100000766300_100000211759 [0,0,1,0,0,0|2,0,0]=3 191 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [0,0,1,0,0,0|3,0,0]=4 192 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [0,0,1,0,0,0|3,0,0]=4 193 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [0,0,1,0,0,0|2,0,0]=3 194 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [0,0,1,0,0,0|2,0,0]=3 195 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [0,0,1,0,0,0|2,0,0]=3 196 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [0,0,1,0,0,0|2,0,0]=3 197 B10R1.17 CSCOc1cccnc1 34a_100000210849_100011218213 [0,0,1,0,0,0|3,0,0]=4 198 B10R1.17 CSCSc1ccccn1 62a_100011216584_100011218213 [0,0,1,0,0,0|3,0,0]=4 199 B10R1.17 CSCSc1ccccn1 62a_100011218213_100011216584 [0,0,1,0,0,0|3,0,0]=4 200 B10R1.17 CSCSc1cccnc1 62a_100000210063_100011218213 [0,0,1,0,0,0|3,0,0]=4 201 B10R1.17 CSCSc1cccnc1 62a_100011218213_100000210063 [0,0,1,0,0,0|3,0,0]=4 202 B10R1.17 CSCSc1cnccn1 62a_100000211759_100011218213 [0,0,1,0,0,0|2,0,0]=3 203 B10R1.17 CSCSc1cnccn1 62a_100011218213_100000211759 [0,0,1,0,0,0|2,0,0]=3 204 B10R1.17 FCCOc1cccnc1 34a_100000210849_100011217306 [0,0,1,0,0,0|3,0,0]=4 205 B10R1.17 FCCOc1cccnc1 7a_100000210849_100011217306 [0,0,1,0,0,0|3,0,0]=4 206 B10R1.17 FCCSc1ccccn1 62a_100011216584_100011217306 [0,0,1,0,0,0|3,0,0]=4 207 B10R1.17 FCCSc1ccccn1 62a_100011217306_100011216584 [0,0,1,0,0,0|3,0,0]=4 208 B10R1.17 FCCSc1cccnc1 62a_100000210063_100011217306 [0,0,1,0,0,0|3,0,0]=4 209 B10R1.17 FCCSc1cccnc1 62a_100011217306_100000210063 [0,0,1,0,0,0|3,0,0]=4 210 B10R1.17 FCCSc1cnccn1 62a_100000211759_100011217306 [0,0,1,0,0,0|2,0,0]=3 211 B10R1.17 FCCSc1cnccn1 62a_100011217306_100000211759 [0,0,1,0,0,0|2,0,0]=3 212 B10R1.17 FCSCc1ccccn1 62a_100000721315_100015361967 [0,0,1,0,0,0|3,0,0]=4 213 B10R1.17 FCSCc1ccccn1 62a_100015361967_100000721315 [0,0,1,0,0,0|3,0,0]=4 214 B10R1.17 FCSCc1cccnc1 62a_100000741622_100015361967 [0,0,1,0,0,0|3,0,0]=4 215 B10R1.17 FCSCc1cccnc1 62a_100015361967_100000741622 [0,0,1,0,0,0|3,0,0]=4 216 B10R1.17 FCSCc1cnccn1 62a_100015361967_100016995436 [0,0,1,0,0,0|2,0,0]=3 217 B10R1.17 FCSCc1cnccn1 62a_100016995436_100015361967 [0,0,1,0,0,0|2,0,0]=3 218 B10R1.17 N#CCSc1cnccn1 62a_100000211759_100011215382 [0,0,1,0,0,0|2,0,1]=4 219 B10R1.17 N#CCSc1cnccn1 62a_100011215382_100000211759 [0,0,1,0,0,0|2,0,1]=4 220 B10R1.17 O=CCSc1cnccn1 62a_100000211759_200015260668 [0,0,1,0,0,0|2,0,1]=4 221 B10R1.17 O=CCSc1cnccn1 62a_200015260668_100000211759 [0,0,1,0,0,0|2,0,1]=4 222 B10R1.17 OCCNc1cnccn1 27a_100000210304_100000211759 [0,0,1,0,0,0|2,0,0]=3 223 B10R1.17 OCCOc1cccnc1 34a_100000210849_100000211926 [0,0,1,0,0,0|3,0,0]=4 224 B10R1.17 OCCOc1cccnc1 7a_100000210849_100000211926 [0,0,1,0,0,0|3,0,0]=4 225 B10R1.17 OCCSc1ccccn1 62a_100000211926_100011216584 [0,0,1,0,0,0|3,0,0]=4 226 B10R1.17 OCCSc1ccccn1 62a_100011216584_100000211926 [0,0,1,0,0,0|3,0,0]=4 227 B10R1.17 OCCSc1cccnc1 62a_100000210063_100000211926 [0,0,1,0,0,0|3,0,0]=4 228 B10R1.17 OCCSc1cccnc1 62a_100000211926_100000210063 [0,0,1,0,0,0|3,0,0]=4 229 B10R1.17 OCCSc1cnccn1 62a_100000211759_100000211926 [0,0,1,0,0,0|2,0,0]=3 230 B10R1.17 OCCSc1cnccn1 62a_100000211926_100000211759 [0,0,1,0,0,0|2,0,0]=3 231 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [0,0,1,0,0,0|3,0,0]=4 232 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [0,0,1,0,0,0|3,0,0]=4 233 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [0,0,1,0,0,0|2,0,0]=3 234 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [0,0,1,0,0,0|3,0,0]=4 235 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [0,0,1,0,0,0|3,0,0]=4 236 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [0,0,1,0,0,0|2,0,0]=3 237 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [0,0,1,0,0,0|2,0,0]=3 238 B10R1.17 [13CH3]OCCc1cnccn1 34a_100011349526_200025704644 [0,0,1,0,0,0|1,0,0]=2 239 B10R1.17 [13CH3]OCCc1cncnc1 34a_100011709255_200025704644 [0,0,1,0,0,0|3,0,0]=4 240 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [0,0,1,0,0,0|3,0,0]=4 241 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [0,0,1,0,0,0|3,0,0]=4 242 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [0,0,1,0,0,0|2,0,0]=3 243 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [0,0,1,0,0,0|2,0,0]=3 244 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [0,0,1,0,0,0|2,0,0]=3 245 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [0,0,1,0,0,0|2,0,0]=3 246 B10R1.20 C=Cc1cccnc1CC 271570a_100011290941_100009877225 [0,0,1,0,0,0|1,0,2]=4 247 B10R1.20 C=Cc1nccnc1CC 271570a_100011290941_100011995844 [0,0,1,0,0,0|0,0,2]=3 248 B10R1.20 C=Cc1nccnc1CN 271570a_100011290941_100000729963 [0,0,1,0,0,0|1,0,2]=4 249 B10R1.20 C=Cc1nccnc1CO 271570a_100011290941_100000057004 [0,0,1,0,0,0|1,0,2]=4 250 B10R1.20 C=Cc1nccnc1NC 271570a_100011290941_100011529439 [0,0,1,0,0,0|1,0,2]=4 251 B10R1.20 C=Cc1nccnc1OC 271570a_100011290941_100000749998 [0,0,1,0,0,0|1,0,2]=4 252 B10R1.20 CCc1ccccc1NC 2230a_100000212081_200000210301 [0,0,1,0,0,0|3,0,0]=4 253 B10R1.20 CCc1ccccc1NC 34a_100000212081_200000210301 [0,0,1,0,0,0|3,0,0]=4 254 B10R1.20 CCc1ccccc1NC 7a_100000212081_200000210301 [0,0,1,0,0,0|3,0,0]=4 255 B10R1.20 CCc1ccccc1N[13CH3] 2230a_100000212081_200025704644 [0,0,1,0,0,0|3,0,0]=4 256 B10R1.20 CCc1ccccc1N[13CH3] 34a_100000212081_200025704644 [0,0,1,0,0,0|3,0,0]=4 257 B10R1.20 CCc1ccccc1N[13CH3] 7a_100000212081_200025704644 [0,0,1,0,0,0|3,0,0]=4 258 B10R1.20 CCc1ccccc1OC 34a_100000210936_200000210301 [0,0,1,0,0,0|3,0,0]=4 259 B10R1.20 CCc1ccccc1OC 7a_100000210936_200000210301 [0,0,1,0,0,0|3,0,0]=4 260 B10R1.20 CCc1ccccc1O[13CH3] 34a_100000210936_200025704644 [0,0,1,0,0,0|3,0,0]=4 261 B10R1.20 CCc1ccccc1O[13CH3] 7a_100000210936_200025704644 [0,0,1,0,0,0|3,0,0]=4 262 B10R1.20 CCc1ccccc1SC 62a_100011215823_200000210301 [0,0,1,0,0,0|3,0,0]=4 263 B10R1.20 CCc1ccccc1SC 62a_200000210301_100011215823 [0,0,1,0,0,0|3,0,0]=4 264 B10R1.20 CCc1ccccc1S[13CH3] 62a_100011215823_200025704644 [0,0,1,0,0,0|3,0,0]=4 265 B10R1.20 CCc1ccccc1S[13CH3] 62a_200025704644_100011215823 [0,0,1,0,0,0|3,0,0]=4 266 B10R1.20 CCc1cncnc1NC 27a_100102657272_200000100055 [0,0,1,0,0,0|3,0,0]=4 267 B10R1.20 CCc1cncnc1SC 62a_200000100055_200000210301 [0,0,1,0,0,0|3,0,0]=4 268 B10R1.20 CCc1cncnc1SC 62a_200000210301_200000100055 [0,0,1,0,0,0|3,0,0]=4 269 B10R1.20 CCc1cncnc1S[13CH3] 62a_200000100055_200025704644 [0,0,1,0,0,0|3,0,0]=4 270 B10R1.20 CCc1cncnc1S[13CH3] 62a_200025704644_200000100055 [0,0,1,0,0,0|3,0,0]=4 271 B10R1.20 CCc1ncccc1SC 62a_100009877225_200000210301 [0,0,1,0,0,0|2,0,0]=3 272 B10R1.20 CCc1ncccc1SC 62a_200000210301_100009877225 [0,0,1,0,0,0|2,0,0]=3 273 B10R1.20 CCc1ncccc1S[13CH3] 62a_100009877225_200025704644 [0,0,1,0,0,0|2,0,0]=3 274 B10R1.20 CCc1ncccc1S[13CH3] 62a_200025704644_100009877225 [0,0,1,0,0,0|2,0,0]=3 275 B10R1.20 CCc1nccnc1NC 27a_100102657272_100011995844 [0,0,1,0,0,0|1,0,0]=2 276 B10R1.20 CCc1nccnc1SC 62a_100011995844_200000210301 [0,0,1,0,0,0|1,0,0]=2 277 B10R1.20 CCc1nccnc1SC 62a_200000210301_100011995844 [0,0,1,0,0,0|1,0,0]=2 278 B10R1.20 CCc1nccnc1S[13CH3] 62a_100011995844_200025704644 [0,0,1,0,0,0|1,0,0]=2 279 B10R1.20 CCc1nccnc1S[13CH3] 62a_200025704644_100011995844 [0,0,1,0,0,0|1,0,0]=2 280 B10R1.20 CCc1ncncc1NC 27a_100102657272_100009816992 [0,0,1,0,0,0|3,0,0]=4 281 B10R1.20 CCc1ncncc1SC 62a_100009816992_200000210301 [0,0,1,0,0,0|3,0,0]=4 282 B10R1.20 CCc1ncncc1SC 62a_200000210301_100009816992 [0,0,1,0,0,0|3,0,0]=4 283 B10R1.20 CCc1ncncc1S[13CH3] 62a_100009816992_200025704644 [0,0,1,0,0,0|3,0,0]=4 284 B10R1.20 CCc1ncncc1S[13CH3] 62a_200025704644_100009816992 [0,0,1,0,0,0|3,0,0]=4 285 B10R1.20 CNc1cccnc1SC 62a_200000210301_200011806188 [0,0,1,0,0,0|3,0,0]=4 286 B10R1.20 CNc1cccnc1S[13CH3] 62a_200025704644_200011806188 [0,0,1,0,0,0|3,0,0]=4 287 B10R1.20 CNc1ncccc1SC 62a_100000700899_200000210301 [0,0,1,0,0,0|3,0,0]=4 288 B10R1.20 CNc1ncccc1SC 62a_200000210301_100000700899 [0,0,1,0,0,0|3,0,0]=4 289 B10R1.20 CNc1ncccc1S[13CH3] 62a_100000700899_200025704644 [0,0,1,0,0,0|3,0,0]=4 290 B10R1.20 CNc1ncccc1S[13CH3] 62a_200025704644_100000700899 [0,0,1,0,0,0|3,0,0]=4 291 B10R1.20 CNc1nccnc1C#N 27a_100102657272_100000040484 [0,0,1,0,0,0|2,0,1]=4 292 B10R1.20 CNc1nccnc1OC 27a_100102657272_100009858322 [0,0,1,0,0,0|2,0,0]=3 293 B10R1.20 CNc1nccnc1SC 62a_200000210301_100011529439 [0,0,1,0,0,0|2,0,0]=3 294 B10R1.20 CNc1nccnc1S[13CH3] 62a_200025704644_100011529439 [0,0,1,0,0,0|2,0,0]=3 295 B10R1.20 COc1cccnc1CBr 34a_200020655725_200000210301 [0,0,1,0,0,0|3,0,0]=4 296 B10R1.20 COc1cccnc1CBr 7a_200020655725_200000210301 [0,0,1,0,0,0|3,0,0]=4 297 B10R1.20 COc1cccnc1CO 34a_100000731849_200000210301 [0,0,1,0,0,0|3,0,0]=4 298 B10R1.20 COc1cccnc1OC 34a_100000698397_200000210301 [0,0,1,0,0,0|3,0,0]=4 299 B10R1.20 COc1cccnc1OC 34a_100025773188_200000210301 [0,0,1,0,0,0|3,0,0]=4 300 B10R1.20 COc1cccnc1OC 7a_100000698397_200000210301 [0,0,1,0,0,0|3,0,0]=4 301 B10R1.20 COc1cccnc1O[13CH3] 34a_100025773188_200025704644 [0,0,1,0,0,0|3,0,0]=4 302 B10R1.20 COc1cccnc1SC 62a_100000767102_200000210301 [0,0,1,0,0,0|3,0,0]=4 303 B10R1.20 COc1cccnc1SC 62a_200000210301_100000690851 [0,0,1,0,0,0|3,0,0]=4 304 B10R1.20 COc1cccnc1S[13CH3] 62a_100000767102_200025704644 [0,0,1,0,0,0|3,0,0]=4 305 B10R1.20 COc1cccnc1S[13CH3] 62a_200025704644_100000690851 [0,0,1,0,0,0|3,0,0]=4 306 B10R1.20 COc1ncccc1O[13CH3] 34a_100000698397_200025704644 [0,0,1,0,0,0|3,0,0]=4 307 B10R1.20 COc1ncccc1O[13CH3] 7a_100000698397_200025704644 [0,0,1,0,0,0|3,0,0]=4 308 B10R1.20 COc1ncccc1SC 62a_100000047025_200000210301 [0,0,1,0,0,0|3,0,0]=4 309 B10R1.20 COc1ncccc1SC 62a_200000210301_100000047025 [0,0,1,0,0,0|3,0,0]=4 310 B10R1.20 COc1ncccc1S[13CH3] 62a_100000047025_200025704644 [0,0,1,0,0,0|3,0,0]=4 311 B10R1.20 COc1ncccc1S[13CH3] 62a_200025704644_100000047025 [0,0,1,0,0,0|3,0,0]=4 312 B10R1.20 COc1nccnc1SC 62a_100009858322_200000210301 [0,0,1,0,0,0|2,0,0]=3 313 B10R1.20 COc1nccnc1SC 62a_200000210301_100000749998 [0,0,1,0,0,0|2,0,0]=3 314 B10R1.20 COc1nccnc1S[13CH3] 62a_100009858322_200025704644 [0,0,1,0,0,0|2,0,0]=3 315 B10R1.20 COc1nccnc1S[13CH3] 62a_200025704644_100000749998 [0,0,1,0,0,0|2,0,0]=3 316 B10R1.20 CSc1cccnc1CN 62a_100020591323_200000210301 [0,0,1,0,0,0|3,0,0]=4 317 B10R1.20 CSc1cccnc1CN 62a_200000210301_100020591323 [0,0,1,0,0,0|3,0,0]=4 318 B10R1.20 CSc1cccnc1CO 62a_100011996772_200000210301 [0,0,1,0,0,0|3,0,0]=4 319 B10R1.20 CSc1cccnc1CO 62a_200000210301_100011996772 [0,0,1,0,0,0|3,0,0]=4 320 B10R1.20 CSc1cccnc1SC 62a_100011465278_200000210301 [0,0,1,0,0,0|3,0,0]=4 321 B10R1.20 CSc1cccnc1SC 62a_200000210301_100011465278 [0,0,1,0,0,0|3,0,0]=4 322 B10R1.20 CSc1ncccc1CN 62a_100015189234_200000210301 [0,0,1,0,0,0|3,0,0]=4 323 B10R1.20 CSc1ncccc1CN 62a_200000210301_100015189234 [0,0,1,0,0,0|3,0,0]=4 324 B10R1.20 CSc1ncccc1CO 62a_100000748726_200000210301 [0,0,1,0,0,0|3,0,0]=4 325 B10R1.20 CSc1ncccc1CO 62a_200000210301_100000748726 [0,0,1,0,0,0|3,0,0]=4 326 B10R1.20 CSc1ncccc1S[13CH3] 62a_100011465278_200025704644 [0,0,1,0,0,0|3,0,0]=4 327 B10R1.20 CSc1ncccc1S[13CH3] 62a_200025704644_100011465278 [0,0,1,0,0,0|3,0,0]=4 328 B10R1.20 CSc1nccnc1C#N 62a_200000210301_100000040484 [0,0,1,0,0,0|2,0,1]=4 329 B10R1.20 CSc1nccnc1C=O 62a_100000051000_200000210301 [0,0,1,0,0,0|2,0,1]=4 330 B10R1.20 CSc1nccnc1C=O 62a_200000210301_100000051000 [0,0,1,0,0,0|2,0,1]=4 331 B10R1.20 CSc1nccnc1CN 62a_100000729963_200000210301 [0,0,1,0,0,0|2,0,0]=3 332 B10R1.20 CSc1nccnc1CN 62a_200000210301_100000729963 [0,0,1,0,0,0|2,0,0]=3 333 B10R1.20 CSc1nccnc1CO 62a_100000057004_200000210301 [0,0,1,0,0,0|2,0,0]=3 334 B10R1.20 CSc1nccnc1CO 62a_200000210301_100000057004 [0,0,1,0,0,0|2,0,0]=3 335 B10R1.20 CSc1nccnc1NN 62a_200000210301_100000755098 [0,0,1,0,0,0|3,0,0]=4 336 B10R1.20 [13CH3]Oc1cccnc1CBr 34a_200020655725_200025704644 [0,0,1,0,0,0|3,0,0]=4 337 B10R1.20 [13CH3]Oc1cccnc1CBr 7a_200020655725_200025704644 [0,0,1,0,0,0|3,0,0]=4 338 B10R1.20 [13CH3]Oc1cccnc1CO 34a_100000731849_200025704644 [0,0,1,0,0,0|3,0,0]=4 339 B10R1.20 [13CH3]Sc1cccnc1CN 62a_100020591323_200025704644 [0,0,1,0,0,0|3,0,0]=4 340 B10R1.20 [13CH3]Sc1cccnc1CN 62a_200025704644_100020591323 [0,0,1,0,0,0|3,0,0]=4 341 B10R1.20 [13CH3]Sc1cccnc1CO 62a_100011996772_200025704644 [0,0,1,0,0,0|3,0,0]=4 342 B10R1.20 [13CH3]Sc1cccnc1CO 62a_200025704644_100011996772 [0,0,1,0,0,0|3,0,0]=4 343 B10R1.20 [13CH3]Sc1ncccc1CN 62a_100015189234_200025704644 [0,0,1,0,0,0|3,0,0]=4 344 B10R1.20 [13CH3]Sc1ncccc1CN 62a_200025704644_100015189234 [0,0,1,0,0,0|3,0,0]=4 345 B10R1.20 [13CH3]Sc1ncccc1CO 62a_100000748726_200025704644 [0,0,1,0,0,0|3,0,0]=4 346 B10R1.20 [13CH3]Sc1ncccc1CO 62a_200025704644_100000748726 [0,0,1,0,0,0|3,0,0]=4 347 B10R1.20 [13CH3]Sc1nccnc1C#N 62a_200025704644_100000040484 [0,0,1,0,0,0|2,0,1]=4 348 B10R1.20 [13CH3]Sc1nccnc1C=O 62a_100000051000_200025704644 [0,0,1,0,0,0|2,0,1]=4 349 B10R1.20 [13CH3]Sc1nccnc1C=O 62a_200025704644_100000051000 [0,0,1,0,0,0|2,0,1]=4 350 B10R1.20 [13CH3]Sc1nccnc1CN 62a_100000729963_200025704644 [0,0,1,0,0,0|2,0,0]=3 351 B10R1.20 [13CH3]Sc1nccnc1CN 62a_200025704644_100000729963 [0,0,1,0,0,0|2,0,0]=3 352 B10R1.20 [13CH3]Sc1nccnc1CO 62a_100000057004_200025704644 [0,0,1,0,0,0|2,0,0]=3 353 B10R1.20 [13CH3]Sc1nccnc1CO 62a_200025704644_100000057004 [0,0,1,0,0,0|2,0,0]=3 354 B10R1.20 [13CH3]Sc1nccnc1NN 62a_200025704644_100000755098 [0,0,1,0,0,0|3,0,0]=4 355 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [0,0,1,0,0,0|1,0,2]=4 356 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [0,0,1,0,0,0|1,0,2]=4 357 B10R1.61 C=C(C)c1nccnc1C 271570a_100000694244_100011999405 [0,0,1,0,0,0|0,0,2]=3 358 B10R1.61 C=C(C)c1nccnc1F 271570a_100000694244_200010125657 [0,0,1,0,0,0|1,0,2]=4 359 B10R1.61 C=C(C)c1nccnc1N 271570a_100000694244_100000747729 [0,0,1,0,0,0|1,0,2]=4 360 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [0,0,1,0,0,0|2,0,1]=4 361 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [0,0,1,0,0,0|3,0,0]=4 362 B10R1.61 CC(C)c1cccnc1O 271570a_203496583355_200010382935 [0,0,1,0,0,0|2,0,0]=3 363 B10R1.61 CC(C)c1ncncc1O 271570a_203496583355_100009816988 [0,0,1,0,0,0|3,0,0]=4 364 B10R1.61 CC(N)c1ncccc1O 271570a_203496583355_100159271932 [0,0,1,0,0,0|3,0,0]=4 365 B10R1.61 CC(O)c1cccnc1O 271570a_203496583355_100009865335 [0,0,1,0,0,0|3,0,0]=4 366 B10R1.61 CN(C)c1ncccc1Br 27a_100102631434_100000696092 [0,0,1,0,0,0|3,0,0]=4 367 B10R1.61 CN(C)c1ncccc1O 271570a_203496583355_100011465059 [0,0,1,0,0,0|3,0,0]=4 368 B10R1.61 CN(C)c1nccnc1F 27a_100102631434_200010125657 [0,0,1,0,0,0|2,0,0]=3 369 B10R1.61 CN(C)c1nccnc1O 271570a_203496583355_100000703087 [0,0,1,0,0,0|2,0,0]=3 370 B10R1.61 C[C@H](O)c1ncccc1O 271570a_203496583355_100013325542 [0,0,1,0,0,0|3,0,0]=4 371 B10R1.61 Cc1ccccc1N(C)C 2230a_100000219699_200000210301 [0,0,1,0,0,0|3,0,0]=4 372 B10R1.61 Cc1ccccc1N(C)C 269982a_100000219699_200000210301 [0,0,1,0,0,0|3,0,0]=4 373 B10R1.61 Cc1ccccc1N(C)C 34a_100000219699_200000210301 [0,0,1,0,0,0|3,0,0]=4 374 B10R1.61 Cc1ccccc1N(C)[13CH3] 2230a_100000219699_200025704644 [0,0,1,0,0,0|3,0,0]=4 375 B10R1.61 Cc1ccccc1N(C)[13CH3] 269982a_100000219699_200025704644 [0,0,1,0,0,0|3,0,0]=4 376 B10R1.61 Cc1ccccc1N(C)[13CH3] 34a_100000219699_200025704644 [0,0,1,0,0,0|3,0,0]=4 377 B10R1.61 Cc1ccnnc1N(C)C 27a_100102631434_100000089043 [0,0,1,0,0,0|3,0,0]=4 378 B10R1.61 Cc1cncnc1N(C)C 27a_100102631434_100011998708 [0,0,1,0,0,0|3,0,0]=4 379 B10R1.61 Cc1nccnc1N(C)C 27a_100102631434_100011999405 [0,0,1,0,0,0|1,0,0]=2 380 B12R2.24 CN1CCc2ccccc2C1 2230a_100000188457_200000210301 [0,0,0,0,0,1|3,0,0]=4 381 B12R2.24 CN1CCc2ccccc2C1 269982a_100000188457_200000210301 [0,0,0,0,0,1|3,0,0]=4 382 B12R2.24 CN1CCc2ccccc2C1 34a_100000188457_200000210301 [0,0,0,0,0,1|3,0,0]=4 383 B12R2.24 CN1CCc2cccnc2C1 2230a_100015206102_200000210301 [0,0,0,0,0,1|2,0,0]=3 384 B12R2.24 CN1CCc2cccnc2C1 269982a_100015206102_200000210301 [0,0,0,0,0,1|2,0,0]=3 385 B12R2.24 CN1CCc2ncccc2C1 2230a_100000699647_200000210301 [0,0,0,0,0,1|2,0,0]=3 386 B12R2.24 CN1CCc2ncccc2C1 269982a_100000699647_200000210301 [0,0,0,0,0,1|2,0,0]=3 387 B12R2.24 CN1CCc2ncncc2C1 2230a_100012000121_200000210301 [0,0,0,0,0,1|3,0,0]=4 388 B12R2.24 CN1CCc2ncncc2C1 269982a_100012000121_200000210301 [0,0,0,0,0,1|3,0,0]=4 389 B12R2.24 [13CH3]N1CCc2ccccc2C1 2230a_100000188457_200025704644 [0,0,0,0,0,1|3,0,0]=4 390 B12R2.24 [13CH3]N1CCc2ccccc2C1 269982a_100000188457_200025704644 [0,0,0,0,0,1|3,0,0]=4 391 B12R2.24 [13CH3]N1CCc2ccccc2C1 34a_100000188457_200025704644 [0,0,0,0,0,1|3,0,0]=4 392 B12R2.24 [13CH3]N1CCc2cccnc2C1 2230a_100015206102_200025704644 [0,0,0,0,0,1|2,0,0]=3 393 B12R2.24 [13CH3]N1CCc2cccnc2C1 269982a_100015206102_200025704644 [0,0,0,0,0,1|2,0,0]=3 394 B12R2.24 [13CH3]N1CCc2ncccc2C1 2230a_100000699647_200025704644 [0,0,0,0,0,1|2,0,0]=3 395 B12R2.24 [13CH3]N1CCc2ncccc2C1 269982a_100000699647_200025704644 [0,0,0,0,0,1|2,0,0]=3 396 B12R2.24 [13CH3]N1CCc2ncncc2C1 2230a_100012000121_200025704644 [0,0,0,0,0,1|3,0,0]=4 397 B12R2.24 [13CH3]N1CCc2ncncc2C1 269982a_100012000121_200025704644 [0,0,0,0,0,1|3,0,0]=4 398 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [1,0,1,0,0,0|0,0,2]=4 399 B9R1.6 CN(C)c1cnccn1 27a_100102631434_100000211759 [1,0,1,0,0,0|1,0,0]=3 400 B9R1.8 CC=Cc1cnccn1 271570a_100016259895_100000758340 [1,0,1,0,0,0|0,0,2]=4 401 B9R1.8 CCNc1cnccn1 27a_100015525214_100000211759 [1,0,1,0,0,0|1,0,0]=3 402 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [1,0,1,0,0,0|2,0,0]=4 403 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [1,0,1,0,0,0|2,0,0]=4 404 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [1,0,1,0,0,0|2,0,0]=4 405 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [1,0,1,0,0,0|2,0,0]=4 406 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [1,0,1,0,0,0|2,0,0]=4 407 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [1,0,1,0,0,0|2,0,0]=4 408 B9R1.8 CCSc1cnccn1 62a_100000210202_100000211759 [1,0,1,0,0,0|1,0,0]=3 409 B9R1.8 CCSc1cnccn1 62a_100000211759_100000210202 [1,0,1,0,0,0|1,0,0]=3 410 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [1,0,1,0,0,0|2,0,0]=4 411 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [1,0,1,0,0,0|2,0,0]=4 412 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [1,0,1,0,0,0|2,0,0]=4 413 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [1,0,1,0,0,0|2,0,0]=4 414 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [1,0,1,0,0,0|2,0,0]=4 415 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [1,0,1,0,0,0|2,0,0]=4 416 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [1,0,1,0,0,0|2,0,0]=4 417 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [1,0,1,0,0,0|2,0,0]=4 418 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [1,0,1,0,0,0|2,0,0]=4 419 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [1,0,1,0,0,0|2,0,0]=4 420 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [1,0,1,0,0,0|1,0,0]=3 421 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [1,0,1,0,0,0|1,0,0]=3 422 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [1,0,1,0,0,0|1,0,0]=3 423 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [1,0,1,0,0,0|1,0,0]=3 424 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,0,1,0,0,0|2,0,0]=4 425 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [1,0,1,0,0,0|2,0,0]=4 426 B9R1.8 COCc1cnccn1 34a_100138415774_100016995436 [1,0,1,0,0,0|1,0,0]=3 427 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [1,0,1,0,0,0|2,0,0]=4 428 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [1,0,1,0,0,0|2,0,0]=4 429 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [1,0,1,0,0,0|2,0,0]=4 430 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [1,0,1,0,0,0|2,0,0]=4 431 B9R1.8 CSCc1cnccn1 62a_100016995436_200000210301 [1,0,1,0,0,0|1,0,0]=3 432 B9R1.8 CSCc1cnccn1 62a_200000210301_100016995436 [1,0,1,0,0,0|1,0,0]=3 433 B9R1.8 FCSc1cnccn1 62a_100000211759_100015361967 [1,0,1,0,0,0|2,0,0]=4 434 B9R1.8 FCSc1cnccn1 62a_100015361967_100000211759 [1,0,1,0,0,0|2,0,0]=4 435 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [1,0,1,0,0,0|2,0,0]=4 436 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [1,0,1,0,0,0|2,0,0]=4 437 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [1,0,1,0,0,0|2,0,0]=4 438 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [1,0,1,0,0,0|2,0,0]=4 439 B9R1.8 [13CH3]SCc1cnccn1 62a_100016995436_200025704644 [1,0,1,0,0,0|1,0,0]=3 440 B9R1.8 [13CH3]SCc1cnccn1 62a_200025704644_100016995436 [1,0,1,0,0,0|1,0,0]=3 441 B9R1.15 C=Cc1nccnc1C 271570a_100011290941_100011999405 [1,0,1,0,0,0|0,0,2]=4 442 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [1,0,1,0,0,0|2,0,0]=4 443 B9R1.15 CCc1nccnc1O 271570a_203496583355_100011995844 [1,0,1,0,0,0|1,0,0]=3 444 B9R1.15 CNc1nccnc1C 27a_100102657272_100011999405 [1,0,1,0,0,0|1,0,0]=3 445 B9R1.15 CNc1nccnc1F 27a_100102657272_200010125657 [1,0,1,0,0,0|2,0,0]=4 446 B9R1.15 CNc1nccnc1O 271570a_203496583355_100011529439 [1,0,1,0,0,0|2,0,0]=4 447 B9R1.15 COc1cccnc1C 34a_100000745507_200000210301 [1,0,1,0,0,0|2,0,0]=4 448 B9R1.15 COc1cccnc1C 7a_100000745507_200000210301 [1,0,1,0,0,0|2,0,0]=4 449 B9R1.15 COc1nccnc1C 34a_100000766352_200000210301 [1,0,1,0,0,0|1,0,0]=3 450 B9R1.15 COc1nccnc1O 271570a_203496583355_100000749998 [1,0,1,0,0,0|2,0,0]=4 451 B9R1.15 CSc1cccnc1C 62a_100000751574_200000210301 [1,0,1,0,0,0|2,0,0]=4 452 B9R1.15 CSc1cccnc1C 62a_200000210301_100000751574 [1,0,1,0,0,0|2,0,0]=4 453 B9R1.15 CSc1ncccc1C 62a_100000751373_200000210301 [1,0,1,0,0,0|2,0,0]=4 454 B9R1.15 CSc1ncccc1C 62a_200000210301_100000751373 [1,0,1,0,0,0|2,0,0]=4 455 B9R1.15 CSc1nccnc1C 62a_100011999405_200000210301 [1,0,1,0,0,0|1,0,0]=3 456 B9R1.15 CSc1nccnc1C 62a_200000210301_100011999405 [1,0,1,0,0,0|1,0,0]=3 457 B9R1.15 CSc1nccnc1Cl 62a_100010886584_200000210301 [1,0,1,0,0,0|2,0,0]=4 458 B9R1.15 CSc1nccnc1Cl 62a_200000210301_100010886584 [1,0,1,0,0,0|2,0,0]=4 459 B9R1.15 CSc1nccnc1F 62a_200000210301_200010125657 [1,0,1,0,0,0|2,0,0]=4 460 B9R1.15 CSc1nccnc1F 62a_200010125657_200000210301 [1,0,1,0,0,0|2,0,0]=4 461 B9R1.15 CSc1nccnc1N 62a_100000747729_200000210301 [1,0,1,0,0,0|2,0,0]=4 462 B9R1.15 CSc1nccnc1N 62a_200000210301_100000747729 [1,0,1,0,0,0|2,0,0]=4 463 B9R1.15 Cc1cccnc1S[13CH3] 62a_100000751373_200025704644 [1,0,1,0,0,0|2,0,0]=4 464 B9R1.15 Cc1cccnc1S[13CH3] 62a_200025704644_100000751373 [1,0,1,0,0,0|2,0,0]=4 465 B9R1.15 Cc1ncccc1O[13CH3] 34a_100000745507_200025704644 [1,0,1,0,0,0|2,0,0]=4 466 B9R1.15 Cc1ncccc1O[13CH3] 7a_100000745507_200025704644 [1,0,1,0,0,0|2,0,0]=4 467 B9R1.15 Cc1ncccc1S[13CH3] 62a_100000751574_200025704644 [1,0,1,0,0,0|2,0,0]=4 468 B9R1.15 Cc1ncccc1S[13CH3] 62a_200025704644_100000751574 [1,0,1,0,0,0|2,0,0]=4 469 B9R1.15 Cc1nccnc1O[13CH3] 34a_100000766352_200025704644 [1,0,1,0,0,0|1,0,0]=3 470 B9R1.15 Cc1nccnc1S[13CH3] 62a_100011999405_200025704644 [1,0,1,0,0,0|1,0,0]=3 471 B9R1.15 Cc1nccnc1S[13CH3] 62a_200025704644_100011999405 [1,0,1,0,0,0|1,0,0]=3 472 B9R1.15 NCc1nccnc1O 271570a_203496583355_100000729963 [1,0,1,0,0,0|2,0,0]=4 473 B9R1.15 OCc1nccnc1O 271570a_203496583355_100000057004 [1,0,1,0,0,0|2,0,0]=4 474 B9R1.15 [13CH3]Sc1nccnc1Cl 62a_100010886584_200025704644 [1,0,1,0,0,0|2,0,0]=4 475 B9R1.15 [13CH3]Sc1nccnc1Cl 62a_200025704644_100010886584 [1,0,1,0,0,0|2,0,0]=4 476 B9R1.15 [13CH3]Sc1nccnc1F 62a_200010125657_200025704644 [1,0,1,0,0,0|2,0,0]=4 477 B9R1.15 [13CH3]Sc1nccnc1F 62a_200025704644_200010125657 [1,0,1,0,0,0|2,0,0]=4 478 B9R1.15 [13CH3]Sc1nccnc1N 62a_100000747729_200025704644 [1,0,1,0,0,0|2,0,0]=4 479 B9R1.15 [13CH3]Sc1nccnc1N 62a_200025704644_100000747729 [1,0,1,0,0,0|2,0,0]=4 480 B11R1.7 CC(C)(N[13CH3])c1ccccn1 2230a_100011999416_200025704644 [0,1,1,0,0,0|2,0,0]=4 481 B11R1.7 CC(C)(N[13CH3])c1cccnc1 2230a_100011376175_200025704644 [0,1,1,0,0,0|2,0,0]=4 482 B11R1.7 CC(C)(O[13CH3])c1ccccn1 7a_100000041474_200025704644 [0,1,1,0,0,0|2,0,0]=4 483 B11R1.7 CNC(C)(C)c1ccccn1 2230a_100011999416_200000210301 [0,1,1,0,0,0|2,0,0]=4 484 B11R1.7 CNC(C)(C)c1cccnc1 2230a_100011376175_200000210301 [0,1,1,0,0,0|2,0,0]=4 485 B11R1.7 COC(C)(C)c1ccccn1 7a_100000041474_200000210301 [0,1,1,0,0,0|2,0,0]=4 486 B11R1.12 CCC(NC)c1ccccc1 2230a_100000737752_200000210301 [0,1,1,0,0,0|2,0,0]=4 487 B11R1.12 CCC(NC)c1ccccc1 269862a_106832991636_100000210124 [0,1,1,0,0,0|2,0,0]=4 488 B11R1.12 CCC(NC)c1ccccn1 2230a_100015186561_200000210301 [0,1,1,0,0,0|1,0,0]=3 489 B11R1.12 CCC(NC)c1ccccn1 269862a_106832991636_100000748178 [0,1,1,0,0,0|1,0,0]=3 490 B11R1.12 CCC(NC)c1cccnc1 2230a_100000246009_200000210301 [0,1,1,0,0,0|1,0,0]=3 491 B11R1.12 CCC(NC)c1cccnc1 269862a_106832991636_100011218761 [0,1,1,0,0,0|1,0,0]=3 492 B11R1.12 CCC(NC)c1cnccn1 2230a_200016994365_200000210301 [0,1,1,0,0,0|0,0,0]=2 493 B11R1.12 CCC(NC)c1ncccn1 269862a_106832991636_200011350823 [0,1,1,0,0,0|2,0,0]=4 494 B11R1.12 CCC(NC)c1ncccn1 270004a_106832991635_200011350823 [0,1,1,0,0,0|2,0,0]=4 495 B11R1.12 CCC(N[13CH3])c1ccccc1 2230a_100000737752_200025704644 [0,1,1,0,0,0|2,0,0]=4 496 B11R1.12 CCC(N[13CH3])c1ccccn1 2230a_100015186561_200025704644 [0,1,1,0,0,0|1,0,0]=3 497 B11R1.12 CCC(N[13CH3])c1cccnc1 2230a_100000246009_200025704644 [0,1,1,0,0,0|1,0,0]=3 498 B11R1.12 CCC(N[13CH3])c1cnccn1 2230a_200016994365_200025704644 [0,1,1,0,0,0|0,0,0]=2 499 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [0,1,1,0,0,0|2,0,0]=4 500 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [0,1,1,0,0,0|2,0,0]=4 501 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [0,1,1,0,0,0|2,0,0]=4 502 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [0,1,1,0,0,0|2,0,0]=4 503 B11R1.12 CCN(CC)c1cnccn1 27a_100000724800_100000211759 [0,1,1,0,0,0|1,0,0]=3 504 B11R1.12 CNC(CO)c1ccccn1 2230a_100015196888_200000210301 [0,1,1,0,0,0|2,0,0]=4 505 B11R1.12 [13CH3]NC(CO)c1ccccn1 2230a_100015196888_200025704644 [0,1,1,0,0,0|2,0,0]=4 506 B11R1.16 C#CCN(C)c1cnccn1 27a_100000225692_100000211759 [0,1,1,0,0,0|1,0,1]=4 507 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [0,1,1,0,0,0|2,0,0]=4 508 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [0,1,1,0,0,0|2,0,0]=4 509 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [0,1,1,0,0,0|2,0,0]=4 510 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [0,1,1,0,0,0|2,0,0]=4 511 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [0,1,1,0,0,0|2,0,0]=4 512 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [0,1,1,0,0,0|2,0,0]=4 513 B11R1.16 CC(SCF)c1cnccn1 62a_100015361967_200000703233 [0,1,1,0,0,0|1,0,0]=3 514 B11R1.16 CC(SCF)c1cnccn1 62a_200000703233_100015361967 [0,1,1,0,0,0|1,0,0]=3 515 B11R1.16 CCCN(C)c1cnccn1 27a_100000747261_100000211759 [0,1,1,0,0,0|1,0,0]=3 516 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [0,1,1,0,0,0|2,0,0]=4 517 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [0,1,1,0,0,0|2,0,0]=4 518 B11R1.16 CCNC(C)c1ccccn1 2230a_100000181244_100000210202 [0,1,1,0,0,0|1,0,0]=3 519 B11R1.16 CCNC(C)c1ccccn1 269862a_100015525214_100000210467 [0,1,1,0,0,0|1,0,0]=3 520 B11R1.16 CCNC(C)c1cccnc1 2230a_100000195435_100000210202 [0,1,1,0,0,0|1,0,0]=3 521 B11R1.16 CCNC(C)c1cccnc1 269862a_100015525214_100000210468 [0,1,1,0,0,0|1,0,0]=3 522 B11R1.16 CCNC(C)c1cccnn1 269862a_100015525214_100009866853 [0,1,1,0,0,0|2,0,0]=4 523 B11R1.16 CCNC(C)c1ccnnc1 269862a_100015525214_100012182992 [0,1,1,0,0,0|2,0,0]=4 524 B11R1.16 CCNC(C)c1cnccn1 2230a_100015525214_200000703233 [0,1,1,0,0,0|0,0,0]=2 525 B11R1.16 CCNC(C)c1cnccn1 269862a_100015525214_100000751083 [0,1,1,0,0,0|0,0,0]=2 526 B11R1.16 CCNC(C)c1cncnc1 269862a_100015525214_100000757475 [0,1,1,0,0,0|2,0,0]=4 527 B11R1.16 CCNC(C)c1ncccn1 2230a_100020641698_100000210202 [0,1,1,0,0,0|2,0,0]=4 528 B11R1.16 CCNC(C)c1ncccn1 270004a_100015525214_100011350828 [0,1,1,0,0,0|2,0,0]=4 529 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [0,1,1,0,0,0|2,0,0]=4 530 B11R1.16 CCN[C@H](C)c1cnccn1 2230a_100020589798_100000210202 [0,1,1,0,0,0|0,0,0]=2 531 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [0,1,1,0,0,0|2,0,0]=4 532 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [0,1,1,0,0,0|2,0,0]=4 533 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [0,1,1,0,0,0|2,0,0]=4 534 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [0,1,1,0,0,0|2,0,0]=4 535 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [0,1,1,0,0,0|2,0,0]=4 536 B11R1.16 CCSC(C)c1cnccn1 62a_100000210202_200000703233 [0,1,1,0,0,0|0,0,0]=2 537 B11R1.16 CCSC(C)c1cnccn1 62a_200000703233_100000210202 [0,1,1,0,0,0|0,0,0]=2 538 B11R1.16 CN(CCO)c1cnccn1 27a_100000210263_100000211759 [0,1,1,0,0,0|1,0,0]=3 539 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [0,1,1,0,0,0|2,0,0]=4 540 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [0,1,1,0,0,0|2,0,0]=4 541 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [0,1,1,0,0,0|2,0,0]=4 542 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [0,1,1,0,0,0|2,0,0]=4 543 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [0,1,1,0,0,0|2,0,0]=4 544 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [0,1,1,0,0,0|2,0,0]=4 545 B11R1.16 CNCC(O)c1ccccn1 2230a_100000691469_200000210301 [0,1,1,0,0,0|2,0,0]=4 546 B11R1.16 CNCC(O)c1cccnc1 2230a_100020605170_200000210301 [0,1,1,0,0,0|2,0,0]=4 547 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [0,1,1,0,0,0|2,0,0]=4 548 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [0,1,1,0,0,0|2,0,0]=4 549 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [0,1,1,0,0,0|2,0,0]=4 550 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [0,1,1,0,0,0|2,0,0]=4 551 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [0,1,1,0,0,0|2,0,0]=4 552 B11R1.16 [13CH3]NCC(O)c1ccccn1 2230a_100000691469_200025704644 [0,1,1,0,0,0|2,0,0]=4 553 B11R1.16 [13CH3]NCC(O)c1cccnc1 2230a_100020605170_200025704644 [0,1,1,0,0,0|2,0,0]=4 554 B11R1.22 CC(N[13CH3])c1ccc(cn1)Br 2230a_100000723930_200025704644 [0,1,1,0,0,0|2,0,0]=4 555 B11R1.22 CC(O[13CH3])c1ccc(cn1)Br 34a_100012353650_200025704644 [0,1,1,0,0,0|2,0,0]=4 556 B11R1.22 CC(O[13CH3])c1ccc(cn1)Br 7a_100012353650_200025704644 [0,1,1,0,0,0|2,0,0]=4 557 B11R1.22 CC(O[13CH3])c1ccc(nc1)Br 34a_200010274204_200025704644 [0,1,1,0,0,0|2,0,0]=4 558 B11R1.22 CC(O[13CH3])c1ccc(nc1)Br 7a_200010274204_200025704644 [0,1,1,0,0,0|2,0,0]=4 559 B11R1.22 CC(O[13CH3])c1ccc(nc1)Cl 34a_200012017543_200025704644 [0,1,1,0,0,0|2,0,0]=4 560 B11R1.22 CC(O[13CH3])c1ccc(nc1)Cl 7a_200012017543_200025704644 [0,1,1,0,0,0|2,0,0]=4 561 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [0,1,1,0,0,0|2,0,0]=4 562 B11R1.22 CNC(C)c1ccc(cn1)Br 2230a_100000723930_200000210301 [0,1,1,0,0,0|2,0,0]=4 563 B11R1.22 CNC(C)c1ccc(cn1)Br 269862a_106832991636_100000686046 [0,1,1,0,0,0|2,0,0]=4 564 B11R1.22 CNC(C)c1ccc(cn1)Br 270004a_106832991635_100000686046 [0,1,1,0,0,0|2,0,0]=4 565 B11R1.22 CNC(C)c1ccc(cn1)C 269862a_106832991636_100000084104 [0,1,1,0,0,0|2,0,0]=4 566 B11R1.22 CNC(C)c1ccc(cn1)C 270004a_106832991635_100000084104 [0,1,1,0,0,0|2,0,0]=4 567 B11R1.22 CNC(C)c1ccc(cn1)Cl 269862a_106832991636_100000692432 [0,1,1,0,0,0|2,0,0]=4 568 B11R1.22 CNC(C)c1ccc(cn1)Cl 270004a_106832991635_100000692432 [0,1,1,0,0,0|2,0,0]=4 569 B11R1.22 CNC(C)c1ccc(cn1)F 269862a_106832991636_100102946652 [0,1,1,0,0,0|2,0,0]=4 570 B11R1.22 CNC(C)c1ccc(cn1)F 270004a_106832991635_100102946652 [0,1,1,0,0,0|2,0,0]=4 571 B11R1.22 CNC(C)c1ccc(nc1)Br 269862a_106832991636_100000684857 [0,1,1,0,0,0|2,0,0]=4 572 B11R1.22 CNC(C)c1ccc(nc1)C 2230a_100011815741_200000210301 [0,1,1,0,0,0|2,0,0]=4 573 B11R1.22 CNC(C)c1ccc(nc1)C 269862a_106832991636_100011280547 [0,1,1,0,0,0|2,0,0]=4 574 B11R1.22 CNC(C)c1ccc(nc1)C 34a_100011815741_200000210301 [0,1,1,0,0,0|2,0,0]=4 575 B11R1.22 CNC(C)c1ccc(nc1)Cl 269862a_106832991636_100000690552 [0,1,1,0,0,0|2,0,0]=4 576 B11R1.22 CNC(C)c1ccc(nc1)F 269862a_106832991636_100000085738 [0,1,1,0,0,0|2,0,0]=4 577 B11R1.22 CNC(C)c1cnc(cn1)Cl 269862a_106832991636_100009883172 [0,1,1,0,0,0|1,0,0]=3 578 B11R1.22 CNC(C)c1cnc(cn1)Cl 270004a_106832991635_100009883172 [0,1,1,0,0,0|1,0,0]=3 579 B11R1.22 CN[C@@H](C)c1ccc(nc1)Br 2230a_100015387476_200000210301 [0,1,1,0,0,0|2,0,0]=4 580 B11R1.22 COC(C)c1ccc(cn1)Br 34a_100012353650_200000210301 [0,1,1,0,0,0|2,0,0]=4 581 B11R1.22 COC(C)c1ccc(cn1)Br 7a_100012353650_200000210301 [0,1,1,0,0,0|2,0,0]=4 582 B11R1.22 COC(C)c1ccc(nc1)Br 34a_200010274204_200000210301 [0,1,1,0,0,0|2,0,0]=4 583 B11R1.22 COC(C)c1ccc(nc1)Br 7a_200010274204_200000210301 [0,1,1,0,0,0|2,0,0]=4 584 B11R1.22 COC(C)c1ccc(nc1)C 34a_200011815720_200000210301 [0,1,1,0,0,0|2,0,0]=4 585 B11R1.22 COC(C)c1ccc(nc1)C 7a_200011815720_200000210301 [0,1,1,0,0,0|2,0,0]=4 586 B11R1.22 COC(C)c1ccc(nc1)Cl 34a_200012017543_200000210301 [0,1,1,0,0,0|2,0,0]=4 587 B11R1.22 COC(C)c1ccc(nc1)Cl 7a_200012017543_200000210301 [0,1,1,0,0,0|2,0,0]=4 588 B11R1.22 C[C@H](N[13CH3])c1ccc(nc1)Br 2230a_100015387476_200025704644 [0,1,1,0,0,0|2,0,0]=4 589 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 2230a_100011815741_200025704644 [0,1,1,0,0,0|2,0,0]=4 590 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 34a_100011815741_200025704644 [0,1,1,0,0,0|2,0,0]=4 591 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 34a_200011815720_200025704644 [0,1,1,0,0,0|2,0,0]=4 592 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 7a_200011815720_200025704644 [0,1,1,0,0,0|2,0,0]=4 593 B11R1.23 CC(N[13CH3])c1cccc(n1)Br 2230a_200010173468_200025704644 [0,1,1,0,0,0|2,0,0]=4 594 B11R1.23 CC(O[13CH3])c1cc(ccn1)Cl 7a_100000144657_200025704644 [0,1,1,0,0,0|2,0,0]=4 595 B11R1.23 CC(O[13CH3])c1cccc(n1)Br 7a_100009820884_200025704644 [0,1,1,0,0,0|2,0,0]=4 596 B11R1.23 CC(O[13CH3])c1cncc(c1)Br 34a_100012351597_200025704644 [0,1,1,0,0,0|2,0,0]=4 597 B11R1.23 CC(O[13CH3])c1cncc(c1)Br 7a_100012351597_200025704644 [0,1,1,0,0,0|2,0,0]=4 598 B11R1.23 CNC(C)c1cc(ccn1)Br 269862a_106832991636_100000709912 [0,1,1,0,0,0|2,0,0]=4 599 B11R1.23 CNC(C)c1cc(ccn1)Br 270004a_106832991635_100000709912 [0,1,1,0,0,0|2,0,0]=4 600 B11R1.23 CNC(C)c1cc(ccn1)C 2230a_100011933787_200000210301 [0,1,1,0,0,0|2,0,0]=4 601 B11R1.23 CNC(C)c1cc(ccn1)C 269862a_106832991636_100000728896 [0,1,1,0,0,0|2,0,0]=4 602 B11R1.23 CNC(C)c1cc(ccn1)C 270004a_106832991635_100000728896 [0,1,1,0,0,0|2,0,0]=4 603 B11R1.23 CNC(C)c1cc(ccn1)Cl 269862a_106832991636_100000099826 [0,1,1,0,0,0|2,0,0]=4 604 B11R1.23 CNC(C)c1cc(ccn1)Cl 270004a_106832991635_100000099826 [0,1,1,0,0,0|2,0,0]=4 605 B11R1.23 CNC(C)c1cccc(n1)Br 2230a_200010173468_200000210301 [0,1,1,0,0,0|2,0,0]=4 606 B11R1.23 CNC(C)c1cccc(n1)Br 269862a_106832991636_100009816502 [0,1,1,0,0,0|2,0,0]=4 607 B11R1.23 CNC(C)c1cccc(n1)C 2230a_100011877385_200000210301 [0,1,1,0,0,0|2,0,0]=4 608 B11R1.23 CNC(C)c1cccc(n1)C 269862a_106832991636_100011877301 [0,1,1,0,0,0|2,0,0]=4 609 B11R1.23 CNC(C)c1cccc(n1)Cl 269862a_106832991636_100000085735 [0,1,1,0,0,0|2,0,0]=4 610 B11R1.23 CNC(C)c1cccc(n1)F 269862a_106832991636_100000092306 [0,1,1,0,0,0|2,0,0]=4 611 B11R1.23 CNC(C)c1cncc(c1)Br 269862a_106832991636_100011216243 [0,1,1,0,0,0|2,0,0]=4 612 B11R1.23 CNC(C)c1cncc(c1)C 269862a_106832991636_100000702010 [0,1,1,0,0,0|2,0,0]=4 613 B11R1.23 CNC(C)c1cncc(c1)F 269862a_106832991636_100000758212 [0,1,1,0,0,0|2,0,0]=4 614 B11R1.23 CN[C@@H](C)c1cccc(n1)F 2230a_100025709760_200000210301 [0,1,1,0,0,0|2,0,0]=4 615 B11R1.23 CN[C@@H](C)c1cccc(n1)F 34a_100025709760_200000210301 [0,1,1,0,0,0|2,0,0]=4 616 B11R1.23 CN[C@H](C)c1cncc(c1)Br 2230a_100012350620_200000210301 [0,1,1,0,0,0|2,0,0]=4 617 B11R1.23 COC(C)c1cc(ccn1)Cl 7a_100000144657_200000210301 [0,1,1,0,0,0|2,0,0]=4 618 B11R1.23 COC(C)c1cccc(n1)Br 7a_100009820884_200000210301 [0,1,1,0,0,0|2,0,0]=4 619 B11R1.23 COC(C)c1cccc(n1)C 34a_200011877368_200000210301 [0,1,1,0,0,0|2,0,0]=4 620 B11R1.23 COC(C)c1cccc(n1)C 7a_200011877368_200000210301 [0,1,1,0,0,0|2,0,0]=4 621 B11R1.23 COC(C)c1cncc(c1)Br 34a_100012351597_200000210301 [0,1,1,0,0,0|2,0,0]=4 622 B11R1.23 COC(C)c1cncc(c1)Br 7a_100012351597_200000210301 [0,1,1,0,0,0|2,0,0]=4 623 B11R1.23 C[C@@H](N[13CH3])c1cncc(c1)Br 2230a_100012350620_200025704644 [0,1,1,0,0,0|2,0,0]=4 624 B11R1.23 C[C@H](N[13CH3])c1cccc(n1)F 2230a_100025709760_200025704644 [0,1,1,0,0,0|2,0,0]=4 625 B11R1.23 C[C@H](N[13CH3])c1cccc(n1)F 34a_100025709760_200025704644 [0,1,1,0,0,0|2,0,0]=4 626 B11R1.23 Cc1cccc(n1)C(C)N[13CH3] 2230a_100011877385_200025704644 [0,1,1,0,0,0|2,0,0]=4 627 B11R1.23 Cc1cccc(n1)C(C)O[13CH3] 34a_200011877368_200025704644 [0,1,1,0,0,0|2,0,0]=4 628 B11R1.23 Cc1cccc(n1)C(C)O[13CH3] 7a_200011877368_200025704644 [0,1,1,0,0,0|2,0,0]=4 629 B11R1.23 Cc1ccnc(c1)C(C)N[13CH3] 2230a_100011933787_200025704644 [0,1,1,0,0,0|2,0,0]=4 630 B11R1.36 CC(=C(C)c1cnccn1)C 271570a_200000049429_100000758340 [0,1,1,0,0,0|0,0,2]=4 631 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [0,1,1,0,0,0|1,0,1]=4 632 B11R1.36 CC(=O)C(C)c1cnccn1 1458a_100000070787_200000703233 [0,1,1,0,0,0|0,0,1]=3 633 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [0,1,1,0,0,0|1,0,1]=4 634 B11R1.36 CC(C)N(C)c1cnccn1 27a_200000211004_100000211759 [0,1,1,0,0,0|1,0,0]=3 635 B11R1.36 CC(c1ccccn1)N(C)C 2230a_100000231138_200000210301 [0,1,1,0,0,0|2,0,0]=4 636 B11R1.36 CC(c1ccccn1)N(C)C 269982a_100000231138_200000210301 [0,1,1,0,0,0|2,0,0]=4 637 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 2230a_100000231138_200025704644 [0,1,1,0,0,0|2,0,0]=4 638 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 269982a_100000231138_200025704644 [0,1,1,0,0,0|2,0,0]=4 639 B11R1.36 CC(c1cccnc1)N(C)C 2230a_100000232774_200000210301 [0,1,1,0,0,0|2,0,0]=4 640 B11R1.36 CC(c1cccnc1)N(C)C 269982a_100000232774_200000210301 [0,1,1,0,0,0|2,0,0]=4 641 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 2230a_100000232774_200025704644 [0,1,1,0,0,0|2,0,0]=4 642 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 269982a_100000232774_200025704644 [0,1,1,0,0,0|2,0,0]=4 643 B11R1.36 CC(c1cnccn1)N(C)C 2230a_100102631434_200000703233 [0,1,1,0,0,0|1,0,0]=3 644 B11R1.36 CC(c1cnccn1)N(C)C 269982a_100102631434_200000703233 [0,1,1,0,0,0|1,0,0]=3 645 B11R1.222 CC(N[13CH3])c1cccnc1O 2230a_100159269580_200025704644 [0,1,1,0,0,0|2,0,0]=4 646 B11R1.222 CC(N[13CH3])c1ncccc1Br 2230a_100159271932_200025704644 [0,1,1,0,0,0|2,0,0]=4 647 B11R1.222 CC(O[13CH3])c1cccnc1Cl 34a_100009865335_200025704644 [0,1,1,0,0,0|2,0,0]=4 648 B11R1.222 CC(O[13CH3])c1cccnc1Cl 7a_100009865335_200025704644 [0,1,1,0,0,0|2,0,0]=4 649 B11R1.222 CNC(C)c1cccnc1C 269862a_106832991636_100011995960 [0,1,1,0,0,0|2,0,0]=4 650 B11R1.222 CNC(C)c1cccnc1O 2230a_100159269580_200000210301 [0,1,1,0,0,0|2,0,0]=4 651 B11R1.222 CNC(C)c1cnccc1C 269862a_106832991636_100000693228 [0,1,1,0,0,0|2,0,0]=4 652 B11R1.222 CNC(C)c1cnccc1Cl 269862a_106832991636_100160469449 [0,1,1,0,0,0|2,0,0]=4 653 B11R1.222 CNC(C)c1ncccc1Br 2230a_100159271932_200000210301 [0,1,1,0,0,0|2,0,0]=4 654 B11R1.222 CNC(C)c1ncccc1Br 269862a_106832991636_100012348690 [0,1,1,0,0,0|2,0,0]=4 655 B11R1.222 CNC(C)c1ncccc1C 2230a_100011536111_200000210301 [0,1,1,0,0,0|2,0,0]=4 656 B11R1.222 CNC(C)c1ncccc1C 269862a_106832991636_100011536074 [0,1,1,0,0,0|2,0,0]=4 657 B11R1.222 CNC(C)c1ncccc1Cl 269862a_106832991636_100015267551 [0,1,1,0,0,0|2,0,0]=4 658 B11R1.222 CNC(C)c1ncccc1F 269862a_106832991636_100011997767 [0,1,1,0,0,0|2,0,0]=4 659 B11R1.222 CNC(C)c1ncccc1I 269862a_106832991636_200015599370 [0,1,1,0,0,0|2,0,0]=4 660 B11R1.222 CNC(C)c1nccnc1C 269862a_106832991636_100000702048 [0,1,1,0,0,0|1,0,0]=3 661 B11R1.222 CNC(C)c1nccnc1Cl 269862a_106832991636_100000099859 [0,1,1,0,0,0|1,0,0]=3 662 B11R1.222 COC(C)c1cccnc1Cl 34a_100009865335_200000210301 [0,1,1,0,0,0|2,0,0]=4 663 B11R1.222 COC(C)c1cccnc1Cl 7a_100009865335_200000210301 [0,1,1,0,0,0|2,0,0]=4 664 B11R1.222 CO[C@@H](C)c1ncccc1Br 7a_100013325542_200000210301 [0,1,1,0,0,0|2,0,0]=4 665 B11R1.222 CO[C@@H](C)c1ncccc1O 271570a_203496583355_106256553109 [0,1,1,0,0,0|2,0,0]=4 666 B11R1.222 C[C@H](O[13CH3])c1ncccc1Br 7a_100013325542_200025704644 [0,1,1,0,0,0|2,0,0]=4 667 B11R1.222 Cc1cccnc1C(C)N[13CH3] 2230a_100011536111_200025704644 [0,1,1,0,0,0|2,0,0]=4 668 B11R1.1 CCCCc1ccc(=O)[nH]c1 271570a_100020621405_100000212171 [0,1,1,0,0,0|1,0,1]=4 669 B11R1.1 CCCCc1ccc(=O)[nH]n1 271570a_100020621405_100009820020 [0,1,1,0,0,0|2,0,0]=4 670 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [0,1,1,0,0,0|2,0,0]=4 671 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [0,1,1,0,0,0|2,0,0]=4 672 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [0,1,1,0,0,0|2,0,0]=4 673 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [0,1,1,0,0,0|2,0,0]=4 674 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [0,1,1,0,0,0|2,0,0]=4 675 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [0,1,1,0,0,0|2,0,0]=4 676 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [0,1,1,0,0,0|2,0,0]=4 677 B11R1.1 CCCCc1ccc(cn1)Br 271570a_100020621405_100000686858 [0,1,1,0,0,0|1,0,0]=3 678 B11R1.1 CCCCc1ccc(cn1)C 271570a_100020621405_100000754016 [0,1,1,0,0,0|1,0,0]=3 679 B11R1.1 CCCCc1ccc(cn1)Cl 271570a_100020621405_100011356976 [0,1,1,0,0,0|1,0,0]=3 680 B11R1.1 CCCCc1ccc(cn1)F 271570a_100020621405_100000744514 [0,1,1,0,0,0|1,0,0]=3 681 B11R1.1 CCCCc1ccc(cn1)N 271570a_100020621405_100000744251 [0,1,1,0,0,0|1,0,0]=3 682 B11R1.1 CCCCc1ccc(cn1)O 271570a_100020621405_100000685995 [0,1,1,0,0,0|1,0,0]=3 683 B11R1.1 CCCCc1ccc(nc1)Br 271570a_100020621405_100009814638 [0,1,1,0,0,0|1,0,0]=3 684 B11R1.1 CCCCc1ccc(nc1)C 271570a_100020621405_100000751577 [0,1,1,0,0,0|1,0,0]=3 685 B11R1.1 CCCCc1ccc(nc1)Cl 271570a_100020621405_100000034144 [0,1,1,0,0,0|1,0,0]=3 686 B11R1.1 CCCCc1ccc(nc1)F 271570a_100020621405_100000748661 [0,1,1,0,0,0|1,0,0]=3 687 B11R1.1 CCCCc1ccc(nc1)N 271570a_100020621405_100000187370 [0,1,1,0,0,0|1,0,0]=3 688 B11R1.1 CCCCc1ccc(nn1)C 271570a_100020621405_100011450037 [0,1,1,0,0,0|2,0,0]=4 689 B11R1.1 CCCCc1ccc(nn1)N 271570a_100020621405_100009816609 [0,1,1,0,0,0|2,0,0]=4 690 B11R1.1 CCCCc1cnc(=O)[nH]c1 271570a_100020621405_102495366499 [0,1,1,0,0,0|2,0,0]=4 691 B11R1.1 CCCCc1cnc(cn1)C 271570a_100020621405_100011999403 [0,1,1,0,0,0|0,0,0]=2 692 B11R1.1 CCCCc1cnc(cn1)F 271570a_100020621405_100009856528 [0,1,1,0,0,0|0,0,0]=2 693 B11R1.1 CCCCc1cnc(cn1)N 271570a_100020621405_100000761932 [0,1,1,0,0,0|0,0,0]=2 694 B11R1.1 CCCCc1cnc(nc1)Br 271570a_100020621405_200012349914 [0,1,1,0,0,0|2,0,0]=4 695 B11R1.1 CCCCc1cnc(nc1)C 271570a_100020621405_100000686985 [0,1,1,0,0,0|2,0,0]=4 696 B11R1.1 CCCCc1cnc(nc1)F 271570a_100020621405_100000685262 [0,1,1,0,0,0|2,0,0]=4 697 B11R1.1 CCCCc1cnc(nc1)N 271570a_100020621405_100000760574 [0,1,1,0,0,0|2,0,0]=4 698 B11R1.1 CCCCc1cnc(nn1)N 271570a_100020621405_100000691435 [0,1,1,0,0,0|1,0,0]=3 699 B11R1.1 CCCCc1ncc(cn1)Br 271570a_100020621405_100000690281 [0,1,1,0,0,0|2,0,0]=4 700 B11R1.1 CCCCc1ncc(cn1)C 271570a_100020621405_100011825175 [0,1,1,0,0,0|2,0,0]=4 701 B11R1.1 CCCCc1ncc(cn1)Cl 271570a_100020621405_100011356929 [0,1,1,0,0,0|2,0,0]=4 702 B11R1.1 CCCCc1ncc(cn1)F 271570a_100020621405_100000685220 [0,1,1,0,0,0|2,0,0]=4 703 B11R1.1 CCCCc1ncc(cn1)N 271570a_100020621405_100000068403 [0,1,1,0,0,0|2,0,0]=4 704 B11R1.1 CCCCc1ncc(cn1)O 271570a_100020621405_100000730009 [0,1,1,0,0,0|2,0,0]=4 705 B11R1.1 CCCOc1ccc(cn1)C 34a_100000759353_100000210303 [0,1,1,0,0,0|2,0,0]=4 706 B11R1.1 CCCOc1ccc(cn1)Cl 34a_100011215309_100000210303 [0,1,1,0,0,0|2,0,0]=4 707 B11R1.1 CCCOc1ccc(cn1)F 34a_100000742473_100000210303 [0,1,1,0,0,0|2,0,0]=4 708 B11R1.1 CCCOc1ccc(cn1)N 34a_100000729260_100000210303 [0,1,1,0,0,0|2,0,0]=4 709 B11R1.1 CCCOc1ccc(cn1)O 271570a_203496583355_100011465619 [0,1,1,0,0,0|2,0,0]=4 710 B11R1.1 CCCOc1ccc(nc1)Br 34a_100000685995_100000210303 [0,1,1,0,0,0|2,0,0]=4 711 B11R1.1 CCCOc1ccc(nc1)Br 7a_100000685995_100000210303 [0,1,1,0,0,0|2,0,0]=4 712 B11R1.1 CCCOc1ccc(nc1)C 34a_100000745506_100000210303 [0,1,1,0,0,0|2,0,0]=4 713 B11R1.1 CCCOc1ccc(nc1)C 7a_100000745506_100000210303 [0,1,1,0,0,0|2,0,0]=4 714 B11R1.1 CCCOc1ccc(nc1)Cl 34a_100000744096_100000210303 [0,1,1,0,0,0|2,0,0]=4 715 B11R1.1 CCCOc1ccc(nc1)Cl 7a_100000744096_100000210303 [0,1,1,0,0,0|2,0,0]=4 716 B11R1.1 CCCOc1ccc(nc1)F 34a_100000688820_100000210303 [0,1,1,0,0,0|2,0,0]=4 717 B11R1.1 CCCOc1ccc(nc1)F 7a_100000688820_100000210303 [0,1,1,0,0,0|2,0,0]=4 718 B11R1.1 CCCOc1ccc(nc1)I 34a_100000687607_100000210303 [0,1,1,0,0,0|2,0,0]=4 719 B11R1.1 CCCOc1ccc(nc1)I 7a_100000687607_100000210303 [0,1,1,0,0,0|2,0,0]=4 720 B11R1.1 CCCOc1ccc(nc1)N 34a_100015188713_100000210303 [0,1,1,0,0,0|2,0,0]=4 721 B11R1.1 CCCOc1ccc(nc1)N 7a_100015188713_100000210303 [0,1,1,0,0,0|2,0,0]=4 722 B11R1.1 CCCOc1ccc(nc1)O 271570a_203496583355_100000719977 [0,1,1,0,0,0|2,0,0]=4 723 B11R1.1 CCCOc1cnc(cn1)Br 34a_100011934580_100000210303 [0,1,1,0,0,0|1,0,0]=3 724 B11R1.1 CCCOc1cnc(cn1)Cl 34a_100015839800_100000210303 [0,1,1,0,0,0|1,0,0]=3 725 B11R1.1 CCCSc1ccc(cn1)Br 62a_100000210303_100000686858 [0,1,1,0,0,0|2,0,0]=4 726 B11R1.1 CCCSc1ccc(cn1)Br 62a_100000686858_100000210303 [0,1,1,0,0,0|2,0,0]=4 727 B11R1.1 CCCSc1ccc(cn1)C 62a_100000210303_100000754016 [0,1,1,0,0,0|2,0,0]=4 728 B11R1.1 CCCSc1ccc(cn1)C 62a_100011192072_100000210303 [0,1,1,0,0,0|2,0,0]=4 729 B11R1.1 CCCSc1ccc(cn1)Cl 62a_100000210303_100011356976 [0,1,1,0,0,0|2,0,0]=4 730 B11R1.1 CCCSc1ccc(cn1)Cl 62a_100011356976_100000210303 [0,1,1,0,0,0|2,0,0]=4 731 B11R1.1 CCCSc1ccc(cn1)F 62a_100000210303_100000744514 [0,1,1,0,0,0|2,0,0]=4 732 B11R1.1 CCCSc1ccc(cn1)F 62a_100000744514_100000210303 [0,1,1,0,0,0|2,0,0]=4 733 B11R1.1 CCCSc1ccc(cn1)N 62a_100000210303_100000737798 [0,1,1,0,0,0|2,0,0]=4 734 B11R1.1 CCCSc1ccc(cn1)N 62a_100000737798_100000210303 [0,1,1,0,0,0|2,0,0]=4 735 B11R1.1 CCCSc1ccc(cn1)O 62a_100000210303_100000744096 [0,1,1,0,0,0|2,0,0]=4 736 B11R1.1 CCCSc1ccc(cn1)O 62a_100000685995_100000210303 [0,1,1,0,0,0|2,0,0]=4 737 B11R1.1 CCCSc1ccc(nc1)Br 62a_100000210303_100009814638 [0,1,1,0,0,0|2,0,0]=4 738 B11R1.1 CCCSc1ccc(nc1)Br 62a_100009814638_100000210303 [0,1,1,0,0,0|2,0,0]=4 739 B11R1.1 CCCSc1ccc(nc1)C 62a_100000210303_100000751577 [0,1,1,0,0,0|2,0,0]=4 740 B11R1.1 CCCSc1ccc(nc1)C 62a_100000751577_100000210303 [0,1,1,0,0,0|2,0,0]=4 741 B11R1.1 CCCSc1ccc(nc1)Cl 62a_100000034144_100000210303 [0,1,1,0,0,0|2,0,0]=4 742 B11R1.1 CCCSc1ccc(nc1)Cl 62a_100000210303_100000034144 [0,1,1,0,0,0|2,0,0]=4 743 B11R1.1 CCCSc1ccc(nc1)F 62a_100000042367_100000210303 [0,1,1,0,0,0|2,0,0]=4 744 B11R1.1 CCCSc1ccc(nc1)F 62a_100000210303_100000042367 [0,1,1,0,0,0|2,0,0]=4 745 B11R1.1 CCCSc1ccc(nc1)N 62a_100000187370_100000210303 [0,1,1,0,0,0|2,0,0]=4 746 B11R1.1 CCCSc1ccc(nc1)N 62a_100000210303_100000187370 [0,1,1,0,0,0|2,0,0]=4 747 B11R1.1 CCCSc1cnc(cn1)Br 62a_100000210303_100010187541 [0,1,1,0,0,0|1,0,0]=3 748 B11R1.1 CCCSc1cnc(cn1)Br 62a_100010187541_100000210303 [0,1,1,0,0,0|1,0,0]=3 749 B11R1.1 CCCSc1cnc(cn1)C 62a_100000210303_100011999403 [0,1,1,0,0,0|1,0,0]=3 750 B11R1.1 CCCSc1cnc(cn1)C 62a_100011999403_100000210303 [0,1,1,0,0,0|1,0,0]=3 751 B11R1.1 CCCSc1cnc(cn1)Cl 62a_100000210303_100010214907 [0,1,1,0,0,0|1,0,0]=3 752 B11R1.1 CCCSc1cnc(cn1)Cl 62a_100010214907_100000210303 [0,1,1,0,0,0|1,0,0]=3 753 B11R1.1 CCCSc1cnc(cn1)F 62a_100000210303_100009856528 [0,1,1,0,0,0|1,0,0]=3 754 B11R1.1 CCCSc1cnc(cn1)F 62a_100009856528_100000210303 [0,1,1,0,0,0|1,0,0]=3 755 B11R1.1 CCCSc1cnc(cn1)N 62a_100000210303_100000744751 [0,1,1,0,0,0|1,0,0]=3 756 B11R1.1 CCCSc1cnc(cn1)N 62a_100000744751_100000210303 [0,1,1,0,0,0|1,0,0]=3 757 B11R1.1 CCCSc1cnc(cn1)O 62a_100000210303_100015839800 [0,1,1,0,0,0|1,0,0]=3 758 B11R1.1 CCCSc1cnc(cn1)O 62a_100011934580_100000210303 [0,1,1,0,0,0|1,0,0]=3 759 B11R1.1 CCCSc1cnc(nn1)N 62a_100000210303_100000691435 [0,1,1,0,0,0|2,0,0]=4 760 B11R1.1 CCCSc1cnc(nn1)N 62a_100000691435_100000210303 [0,1,1,0,0,0|2,0,0]=4 761 B11R1.1 CCNCc1ccc(cn1)Br 207a_100015525214_100000754260 [0,1,1,0,0,0|2,0,0]=4 762 B11R1.1 CCNCc1ccc(cn1)Br 2230a_100015525214_100000702658 [0,1,1,0,0,0|2,0,0]=4 763 B11R1.1 CCNCc1ccc(cn1)Br 270004a_100015525214_100000754260 [0,1,1,0,0,0|2,0,0]=4 764 B11R1.1 CCNCc1ccc(cn1)Br 34a_100015188789_100000210202 [0,1,1,0,0,0|2,0,0]=4 765 B11R1.1 CCNCc1ccc(cn1)C 207a_100015525214_100000050478 [0,1,1,0,0,0|2,0,0]=4 766 B11R1.1 CCNCc1ccc(cn1)C 2230a_100015525214_100000691093 [0,1,1,0,0,0|2,0,0]=4 767 B11R1.1 CCNCc1ccc(cn1)C 270004a_100015525214_100000050478 [0,1,1,0,0,0|2,0,0]=4 768 B11R1.1 CCNCc1ccc(cn1)C 34a_100015187455_100000210202 [0,1,1,0,0,0|2,0,0]=4 769 B11R1.1 CCNCc1ccc(cn1)Cl 207a_100015525214_100011361569 [0,1,1,0,0,0|2,0,0]=4 770 B11R1.1 CCNCc1ccc(cn1)Cl 2230a_100015525214_100012066911 [0,1,1,0,0,0|2,0,0]=4 771 B11R1.1 CCNCc1ccc(cn1)Cl 270004a_100015525214_100011361569 [0,1,1,0,0,0|2,0,0]=4 772 B11R1.1 CCNCc1ccc(cn1)Cl 34a_100000697193_100000210202 [0,1,1,0,0,0|2,0,0]=4 773 B11R1.1 CCNCc1ccc(cn1)F 207a_100015525214_100011934744 [0,1,1,0,0,0|2,0,0]=4 774 B11R1.1 CCNCc1ccc(cn1)F 2230a_100015525214_100000703193 [0,1,1,0,0,0|2,0,0]=4 775 B11R1.1 CCNCc1ccc(cn1)F 270004a_100015525214_100011934744 [0,1,1,0,0,0|2,0,0]=4 776 B11R1.1 CCNCc1ccc(cn1)F 34a_100020620131_100000210202 [0,1,1,0,0,0|2,0,0]=4 777 B11R1.1 CCNCc1ccc(nc1)Br 2230a_100009817727_100000210202 [0,1,1,0,0,0|2,0,0]=4 778 B11R1.1 CCNCc1ccc(nc1)Br 2230a_100015525214_100009831999 [0,1,1,0,0,0|2,0,0]=4 779 B11R1.1 CCNCc1ccc(nc1)Br 34a_100009817727_100000210202 [0,1,1,0,0,0|2,0,0]=4 780 B11R1.1 CCNCc1ccc(nc1)C 2230a_100015525214_100016987292 [0,1,1,0,0,0|2,0,0]=4 781 B11R1.1 CCNCc1ccc(nc1)C 270004a_100015525214_100000743784 [0,1,1,0,0,0|2,0,0]=4 782 B11R1.1 CCNCc1ccc(nc1)C 34a_100000740942_100000210202 [0,1,1,0,0,0|2,0,0]=4 783 B11R1.1 CCNCc1ccc(nc1)Cl 2230a_100000735879_100000210202 [0,1,1,0,0,0|2,0,0]=4 784 B11R1.1 CCNCc1ccc(nc1)Cl 2230a_100015525214_100000735431 [0,1,1,0,0,0|2,0,0]=4 785 B11R1.1 CCNCc1ccc(nc1)Cl 34a_100000735879_100000210202 [0,1,1,0,0,0|2,0,0]=4 786 B11R1.1 CCNCc1ccc(nc1)F 2230a_100000101913_100000210202 [0,1,1,0,0,0|2,0,0]=4 787 B11R1.1 CCNCc1ccc(nc1)F 2230a_100015525214_100009820150 [0,1,1,0,0,0|2,0,0]=4 788 B11R1.1 CCNCc1ccc(nc1)F 34a_100000101913_100000210202 [0,1,1,0,0,0|2,0,0]=4 789 B11R1.1 CCNCc1ccc(nc1)O 207a_100015525214_100011361521 [0,1,1,0,0,0|2,0,0]=4 790 B11R1.1 CCNCc1ccc(nc1)O 2230a_100000757128_100000210202 [0,1,1,0,0,0|2,0,0]=4 791 B11R1.1 CCNCc1cnc(cn1)C 2230a_100015525214_100000752025 [0,1,1,0,0,0|1,0,0]=3 792 B11R1.1 CCNCc1cnc(cn1)C 270004a_100015525214_100000685221 [0,1,1,0,0,0|1,0,0]=3 793 B11R1.1 CCNCc1cnc(cn1)C 34a_100132314150_100000210202 [0,1,1,0,0,0|1,0,0]=3 794 B11R1.1 CCNCc1cnc(cn1)Cl 270004a_100015525214_100012001714 [0,1,1,0,0,0|1,0,0]=3 795 B11R1.1 CCOCc1ccc(cn1)Br 34a_100000754261_100000210202 [0,1,1,0,0,0|2,0,0]=4 796 B11R1.1 CCOCc1ccc(cn1)Br 34a_100121572206_100000702658 [0,1,1,0,0,0|2,0,0]=4 797 B11R1.1 CCOCc1ccc(cn1)C 34a_100012001401_100000210202 [0,1,1,0,0,0|2,0,0]=4 798 B11R1.1 CCOCc1ccc(cn1)C 34a_100121572206_100000691093 [0,1,1,0,0,0|2,0,0]=4 799 B11R1.1 CCOCc1ccc(cn1)Cl 34a_100000703999_100000210202 [0,1,1,0,0,0|2,0,0]=4 800 B11R1.1 CCOCc1ccc(cn1)Cl 34a_100121572206_100012066911 [0,1,1,0,0,0|2,0,0]=4 801 B11R1.1 CCOCc1ccc(cn1)F 34a_100011999454_100000210202 [0,1,1,0,0,0|2,0,0]=4 802 B11R1.1 CCOCc1ccc(cn1)F 34a_100121572206_100000703193 [0,1,1,0,0,0|2,0,0]=4 803 B11R1.1 CCOCc1ccc(cn1)N 34a_100011998161_100000210202 [0,1,1,0,0,0|2,0,0]=4 804 B11R1.1 CCOCc1ccc(nc1)Br 34a_100009816760_100000210202 [0,1,1,0,0,0|2,0,0]=4 805 B11R1.1 CCOCc1ccc(nc1)Br 34a_100121572206_100009831999 [0,1,1,0,0,0|2,0,0]=4 806 B11R1.1 CCOCc1ccc(nc1)Br 7a_100009816760_100000210202 [0,1,1,0,0,0|2,0,0]=4 807 B11R1.1 CCOCc1ccc(nc1)C 34a_100011248133_100000210202 [0,1,1,0,0,0|2,0,0]=4 808 B11R1.1 CCOCc1ccc(nc1)C 34a_100121572206_100016987292 [0,1,1,0,0,0|2,0,0]=4 809 B11R1.1 CCOCc1ccc(nc1)Cl 34a_100000755211_100000210202 [0,1,1,0,0,0|2,0,0]=4 810 B11R1.1 CCOCc1ccc(nc1)Cl 34a_100121572206_100000735431 [0,1,1,0,0,0|2,0,0]=4 811 B11R1.1 CCOCc1ccc(nc1)Cl 7a_100000755211_100000210202 [0,1,1,0,0,0|2,0,0]=4 812 B11R1.1 CCOCc1ccc(nc1)F 34a_100000079959_100000210202 [0,1,1,0,0,0|2,0,0]=4 813 B11R1.1 CCOCc1ccc(nc1)F 34a_100121572206_100000099788 [0,1,1,0,0,0|2,0,0]=4 814 B11R1.1 CCOCc1ccc(nc1)N 34a_100000704267_100000210202 [0,1,1,0,0,0|2,0,0]=4 815 B11R1.1 CCOCc1ccc(nc1)O 271570a_203496583355_100011206209 [0,1,1,0,0,0|2,0,0]=4 816 B11R1.1 CCOCc1cnc(cn1)C 34a_100011273949_100000210202 [0,1,1,0,0,0|1,0,0]=3 817 B11R1.1 CCOCc1cnc(cn1)Cl 34a_100012002382_100000210202 [0,1,1,0,0,0|1,0,0]=3 818 B11R1.1 CCSCc1ccc(cn1)Br 62a_100000210202_100000702658 [0,1,1,0,0,0|2,0,0]=4 819 B11R1.1 CCSCc1ccc(cn1)Br 62a_100000702658_100000210202 [0,1,1,0,0,0|2,0,0]=4 820 B11R1.1 CCSCc1ccc(cn1)C 62a_100000210202_100000691093 [0,1,1,0,0,0|2,0,0]=4 821 B11R1.1 CCSCc1ccc(cn1)C 62a_100000691093_100000210202 [0,1,1,0,0,0|2,0,0]=4 822 B11R1.1 CCSCc1ccc(cn1)Cl 62a_100000210202_100000697101 [0,1,1,0,0,0|2,0,0]=4 823 B11R1.1 CCSCc1ccc(cn1)Cl 62a_100012066911_100000210202 [0,1,1,0,0,0|2,0,0]=4 824 B11R1.1 CCSCc1ccc(cn1)F 62a_100000210202_100000703193 [0,1,1,0,0,0|2,0,0]=4 825 B11R1.1 CCSCc1ccc(cn1)F 62a_100000703193_100000210202 [0,1,1,0,0,0|2,0,0]=4 826 B11R1.1 CCSCc1ccc(nc1)Br 62a_100000210202_100009831999 [0,1,1,0,0,0|2,0,0]=4 827 B11R1.1 CCSCc1ccc(nc1)Br 62a_100009831999_100000210202 [0,1,1,0,0,0|2,0,0]=4 828 B11R1.1 CCSCc1ccc(nc1)C 62a_100000210202_100016987292 [0,1,1,0,0,0|2,0,0]=4 829 B11R1.1 CCSCc1ccc(nc1)C 62a_100016987292_100000210202 [0,1,1,0,0,0|2,0,0]=4 830 B11R1.1 CCSCc1ccc(nc1)Cl 62a_100000210202_100000735431 [0,1,1,0,0,0|2,0,0]=4 831 B11R1.1 CCSCc1ccc(nc1)Cl 62a_100000735431_100000210202 [0,1,1,0,0,0|2,0,0]=4 832 B11R1.1 CCSCc1ccc(nc1)F 62a_100000210202_100000099788 [0,1,1,0,0,0|2,0,0]=4 833 B11R1.1 CCSCc1ccc(nc1)F 62a_100009820150_100000210202 [0,1,1,0,0,0|2,0,0]=4 834 B11R1.1 CCSCc1cnc(cn1)C 62a_100000210202_100000752025 [0,1,1,0,0,0|1,0,0]=3 835 B11R1.1 CCSCc1cnc(cn1)C 62a_100000752025_100000210202 [0,1,1,0,0,0|1,0,0]=3 836 B11R1.1 COCCc1ccc(cn1)Br 34a_100012357577_200000210301 [0,1,1,0,0,0|2,0,0]=4 837 B11R1.1 COCCc1ccc(nc1)C 34a_100011815783_200000210301 [0,1,1,0,0,0|2,0,0]=4 838 B11R1.1 COCCc1ccc(nc1)Cl 34a_100009880866_200000210301 [0,1,1,0,0,0|2,0,0]=4 839 B11R1.1 COCCc1ccc(nc1)Cl 7a_100009880866_200000210301 [0,1,1,0,0,0|2,0,0]=4 840 B11R1.1 COCSc1cnc(cn1)Br 62a_100000766300_100010187541 [0,1,1,0,0,0|2,0,0]=4 841 B11R1.1 COCSc1cnc(cn1)Br 62a_100010187541_100000766300 [0,1,1,0,0,0|2,0,0]=4 842 B11R1.1 COCSc1cnc(cn1)C 62a_100000766300_100011999403 [0,1,1,0,0,0|2,0,0]=4 843 B11R1.1 COCSc1cnc(cn1)C 62a_100011999403_100000766300 [0,1,1,0,0,0|2,0,0]=4 844 B11R1.1 COCSc1cnc(cn1)Cl 62a_100000766300_100010214907 [0,1,1,0,0,0|2,0,0]=4 845 B11R1.1 COCSc1cnc(cn1)Cl 62a_100010214907_100000766300 [0,1,1,0,0,0|2,0,0]=4 846 B11R1.1 COCSc1cnc(cn1)F 62a_100000766300_100009856528 [0,1,1,0,0,0|2,0,0]=4 847 B11R1.1 COCSc1cnc(cn1)F 62a_100009856528_100000766300 [0,1,1,0,0,0|2,0,0]=4 848 B11R1.1 COCSc1cnc(cn1)N 62a_100000744751_100000766300 [0,1,1,0,0,0|2,0,0]=4 849 B11R1.1 COCSc1cnc(cn1)N 62a_100000766300_100000744751 [0,1,1,0,0,0|2,0,0]=4 850 B11R1.1 COCSc1cnc(cn1)O 62a_100000766300_100015839800 [0,1,1,0,0,0|2,0,0]=4 851 B11R1.1 COCSc1cnc(cn1)O 62a_100011934580_100000766300 [0,1,1,0,0,0|2,0,0]=4 852 B11R1.1 CSCOc1cnc(cn1)Br 34a_100011934580_100011218213 [0,1,1,0,0,0|2,0,0]=4 853 B11R1.1 CSCOc1cnc(cn1)Cl 34a_100015839800_100011218213 [0,1,1,0,0,0|2,0,0]=4 854 B11R1.1 CSCSc1cnc(cn1)Br 62a_100010187541_100011218213 [0,1,1,0,0,0|2,0,0]=4 855 B11R1.1 CSCSc1cnc(cn1)Br 62a_100011218213_100010187541 [0,1,1,0,0,0|2,0,0]=4 856 B11R1.1 CSCSc1cnc(cn1)C 62a_100011218213_100011999403 [0,1,1,0,0,0|2,0,0]=4 857 B11R1.1 CSCSc1cnc(cn1)C 62a_100011999403_100011218213 [0,1,1,0,0,0|2,0,0]=4 858 B11R1.1 CSCSc1cnc(cn1)Cl 62a_100010214907_100011218213 [0,1,1,0,0,0|2,0,0]=4 859 B11R1.1 CSCSc1cnc(cn1)Cl 62a_100011218213_100010214907 [0,1,1,0,0,0|2,0,0]=4 860 B11R1.1 CSCSc1cnc(cn1)F 62a_100009856528_100011218213 [0,1,1,0,0,0|2,0,0]=4 861 B11R1.1 CSCSc1cnc(cn1)F 62a_100011218213_100009856528 [0,1,1,0,0,0|2,0,0]=4 862 B11R1.1 CSCSc1cnc(cn1)N 62a_100000744751_100011218213 [0,1,1,0,0,0|2,0,0]=4 863 B11R1.1 CSCSc1cnc(cn1)N 62a_100011218213_100000744751 [0,1,1,0,0,0|2,0,0]=4 864 B11R1.1 CSCSc1cnc(cn1)O 62a_100011218213_100015839800 [0,1,1,0,0,0|2,0,0]=4 865 B11R1.1 CSCSc1cnc(cn1)O 62a_100011934580_100011218213 [0,1,1,0,0,0|2,0,0]=4 866 B11R1.1 Cc1ccc(cn1)CCO[13CH3] 34a_100011815783_200025704644 [0,1,1,0,0,0|2,0,0]=4 867 B11R1.1 Cc1cnc(cn1)CNCF 34a_100132314150_100015361967 [0,1,1,0,0,0|2,0,0]=4 868 B11R1.1 Cc1cnc(cn1)COCF 34a_100011273949_100015361967 [0,1,1,0,0,0|2,0,0]=4 869 B11R1.1 Cc1cnc(cn1)CSCF 62a_100000752025_100015361967 [0,1,1,0,0,0|2,0,0]=4 870 B11R1.1 Cc1cnc(cn1)CSCF 62a_100015361967_100000752025 [0,1,1,0,0,0|2,0,0]=4 871 B11R1.1 Cc1cnc(cn1)NCCO 27a_100000210304_100000074397 [0,1,1,0,0,0|2,0,0]=4 872 B11R1.1 Cc1cnc(cn1)SCCF 62a_100011217306_100011999403 [0,1,1,0,0,0|2,0,0]=4 873 B11R1.1 Cc1cnc(cn1)SCCF 62a_100011999403_100011217306 [0,1,1,0,0,0|2,0,0]=4 874 B11R1.1 Cc1cnc(cn1)SCCO 62a_100000211926_100011999403 [0,1,1,0,0,0|2,0,0]=4 875 B11R1.1 Cc1cnc(cn1)SCCO 62a_100011999403_100000211926 [0,1,1,0,0,0|2,0,0]=4 876 B11R1.1 FCCOc1cnc(cn1)Br 34a_100011934580_100011217306 [0,1,1,0,0,0|2,0,0]=4 877 B11R1.1 FCCOc1cnc(cn1)Cl 34a_100015839800_100011217306 [0,1,1,0,0,0|2,0,0]=4 878 B11R1.1 FCCSc1cnc(cn1)Br 62a_100010187541_100011217306 [0,1,1,0,0,0|2,0,0]=4 879 B11R1.1 FCCSc1cnc(cn1)Br 62a_100011217306_100010187541 [0,1,1,0,0,0|2,0,0]=4 880 B11R1.1 FCCSc1cnc(cn1)Cl 62a_100010214907_100011217306 [0,1,1,0,0,0|2,0,0]=4 881 B11R1.1 FCCSc1cnc(cn1)Cl 62a_100011217306_100010214907 [0,1,1,0,0,0|2,0,0]=4 882 B11R1.1 FCCSc1cnc(cn1)F 62a_100009856528_100011217306 [0,1,1,0,0,0|2,0,0]=4 883 B11R1.1 FCCSc1cnc(cn1)F 62a_100011217306_100009856528 [0,1,1,0,0,0|2,0,0]=4 884 B11R1.1 FCOCc1cnc(cn1)Cl 34a_100012002382_100015361967 [0,1,1,0,0,0|2,0,0]=4 885 B11R1.1 Nc1cnc(cn1)SCCF 62a_100000744751_100011217306 [0,1,1,0,0,0|2,0,0]=4 886 B11R1.1 Nc1cnc(cn1)SCCF 62a_100011217306_100000744751 [0,1,1,0,0,0|2,0,0]=4 887 B11R1.1 Nc1cnc(cn1)SCCO 62a_100000211926_100000744751 [0,1,1,0,0,0|2,0,0]=4 888 B11R1.1 Nc1cnc(cn1)SCCO 62a_100000744751_100000211926 [0,1,1,0,0,0|2,0,0]=4 889 B11R1.1 OCCNc1cnc(cn1)Br 27a_100000210304_100010187541 [0,1,1,0,0,0|2,0,0]=4 890 B11R1.1 OCCNc1cnc(cn1)F 27a_100000210304_100009856528 [0,1,1,0,0,0|2,0,0]=4 891 B11R1.1 OCCOc1cnc(cn1)Br 34a_100011934580_100000211926 [0,1,1,0,0,0|2,0,0]=4 892 B11R1.1 OCCOc1cnc(cn1)Cl 34a_100015839800_100000211926 [0,1,1,0,0,0|2,0,0]=4 893 B11R1.1 OCCSc1cnc(cn1)Br 62a_100000211926_100010187541 [0,1,1,0,0,0|2,0,0]=4 894 B11R1.1 OCCSc1cnc(cn1)Br 62a_100010187541_100000211926 [0,1,1,0,0,0|2,0,0]=4 895 B11R1.1 OCCSc1cnc(cn1)Cl 62a_100000211926_100010214907 [0,1,1,0,0,0|2,0,0]=4 896 B11R1.1 OCCSc1cnc(cn1)Cl 62a_100010214907_100000211926 [0,1,1,0,0,0|2,0,0]=4 897 B11R1.1 OCCSc1cnc(cn1)F 62a_100000211926_100009856528 [0,1,1,0,0,0|2,0,0]=4 898 B11R1.1 OCCSc1cnc(cn1)F 62a_100009856528_100000211926 [0,1,1,0,0,0|2,0,0]=4 899 B11R1.1 OCCSc1cnc(cn1)O 62a_100000211926_100015839800 [0,1,1,0,0,0|2,0,0]=4 900 B11R1.1 OCCSc1cnc(cn1)O 62a_100011934580_100000211926 [0,1,1,0,0,0|2,0,0]=4 901 B11R1.1 Oc1cnc(cn1)SCCF 62a_100011217306_100015839800 [0,1,1,0,0,0|2,0,0]=4 902 B11R1.1 Oc1cnc(cn1)SCCF 62a_100011934580_100011217306 [0,1,1,0,0,0|2,0,0]=4 903 B11R1.1 [13CH3]OCCc1ccc(cn1)Br 34a_100012357577_200025704644 [0,1,1,0,0,0|2,0,0]=4 904 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 34a_100009880866_200025704644 [0,1,1,0,0,0|2,0,0]=4 905 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 7a_100009880866_200025704644 [0,1,1,0,0,0|2,0,0]=4 906 B11R1.17 CCCCc1c[nH]ccc1=O 271570a_100020621405_100009998708 [0,1,1,0,0,0|1,0,1]=4 907 B11R1.17 CCCCc1c[nH]ccc1=S 271570a_100020621405_200012280681 [0,1,1,0,0,0|1,0,1]=4 908 B11R1.17 CCCCc1ccc[nH]c1=O 271570a_100020621405_100000050042 [0,1,1,0,0,0|1,0,1]=4 909 B11R1.17 CCCCc1cccc[n+]1C 271570a_100020621405_100000212160 [0,1,1,0,0,0|1,0,1]=4 910 B11R1.17 CCCCc1cccc[n+]1[O-] 271570a_100020621405_200000042595 [0,1,1,0,0,0|1,0,1]=4 911 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [0,1,1,0,0,0|2,0,0]=4 912 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [0,1,1,0,0,0|2,0,0]=4 913 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [0,1,1,0,0,0|2,0,0]=4 914 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [0,1,1,0,0,0|2,0,0]=4 915 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [0,1,1,0,0,0|2,0,0]=4 916 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [0,1,1,0,0,0|2,0,0]=4 917 B11R1.17 CCCCc1cccnc1Br 271570a_100020621405_100010202626 [0,1,1,0,0,0|1,0,0]=3 918 B11R1.17 CCCCc1cccnc1C 271570a_100020621405_100000751574 [0,1,1,0,0,0|1,0,0]=3 919 B11R1.17 CCCCc1cccnc1Cl 271570a_100020621405_100000036424 [0,1,1,0,0,0|1,0,0]=3 920 B11R1.17 CCCCc1cccnc1F 271570a_100020621405_100009816115 [0,1,1,0,0,0|1,0,0]=3 921 B11R1.17 CCCCc1cccnc1N 271570a_100020621405_100000045569 [0,1,1,0,0,0|1,0,0]=3 922 B11R1.17 CCCCc1cnccc1Br 271570a_100020621405_100010138639 [0,1,1,0,0,0|1,0,0]=3 923 B11R1.17 CCCCc1cnccc1C 271570a_100020621405_100000761580 [0,1,1,0,0,0|1,0,0]=3 924 B11R1.17 CCCCc1cnccc1Cl 271570a_100020621405_100009995489 [0,1,1,0,0,0|1,0,0]=3 925 B11R1.17 CCCCc1cnccc1F 271570a_100020621405_100009820683 [0,1,1,0,0,0|1,0,0]=3 926 B11R1.17 CCCCc1cnccc1N 271570a_100020621405_100000047001 [0,1,1,0,0,0|1,0,0]=3 927 B11R1.17 CCCCc1cncnc1Br 271570a_100020621405_200012461658 [0,1,1,0,0,0|2,0,0]=4 928 B11R1.17 CCCCc1cncnc1C 271570a_100020621405_100009819671 [0,1,1,0,0,0|2,0,0]=4 929 B11R1.17 CCCCc1cncnc1Cl 271570a_100020621405_100000758962 [0,1,1,0,0,0|2,0,0]=4 930 B11R1.17 CCCCc1cncnc1N 271570a_100020621405_100011996079 [0,1,1,0,0,0|2,0,0]=4 931 B11R1.17 CCCCc1cncnc1O 271570a_100020621405_100000751107 [0,1,1,0,0,0|2,0,0]=4 932 B11R1.17 CCCCc1cnncc1N 271570a_100020621405_100009829405 [0,1,1,0,0,0|2,0,0]=4 933 B11R1.17 CCCCc1ncc[nH]c1=O 271570a_100020621405_100000763361 [0,1,1,0,0,0|0,0,1]=3 934 B11R1.17 CCCCc1ncccc1Br 271570a_100020621405_100000696092 [0,1,1,0,0,0|1,0,0]=3 935 B11R1.17 CCCCc1ncccc1C 271570a_100020621405_100000751373 [0,1,1,0,0,0|1,0,0]=3 936 B11R1.17 CCCCc1ncccc1Cl 271570a_100020621405_100011356963 [0,1,1,0,0,0|1,0,0]=3 937 B11R1.17 CCCCc1ncccc1F 271570a_100020621405_100000685392 [0,1,1,0,0,0|1,0,0]=3 938 B11R1.17 CCCCc1ncccc1N 271570a_100020621405_100000688686 [0,1,1,0,0,0|1,0,0]=3 939 B11R1.17 CCCCc1ncccc1O 271570a_100020621405_100000034122 [0,1,1,0,0,0|1,0,0]=3 940 B11R1.17 CCCCc1nccnc1C 271570a_100020621405_100011999405 [0,1,1,0,0,0|0,0,0]=2 941 B11R1.17 CCCCc1nccnc1F 271570a_100020621405_200010125657 [0,1,1,0,0,0|0,0,0]=2 942 B11R1.17 CCCCc1nccnc1N 271570a_100020621405_100000747729 [0,1,1,0,0,0|0,0,0]=2 943 B11R1.17 CCCCc1ncncc1C 271570a_100020621405_100011998708 [0,1,1,0,0,0|2,0,0]=4 944 B11R1.17 CCCCc1ncncc1F 271570a_100020621405_100000069762 [0,1,1,0,0,0|2,0,0]=4 945 B11R1.17 CCCCc1ncncc1N 271570a_100020621405_100000709731 [0,1,1,0,0,0|2,0,0]=4 946 B11R1.17 CCCCc1ncncc1O 271570a_203496583355_200009816989 [0,1,1,0,0,0|2,0,0]=4 947 B11R1.17 CCCCc1nnccc1C 271570a_100020621405_100000089043 [0,1,1,0,0,0|2,0,0]=4 948 B11R1.17 CCCOc1cccnc1Br 34a_100000744436_100000210303 [0,1,1,0,0,0|2,0,0]=4 949 B11R1.17 CCCOc1cccnc1Br 7a_100000744436_100000210303 [0,1,1,0,0,0|2,0,0]=4 950 B11R1.17 CCCOc1cccnc1C 34a_100000745507_100000210303 [0,1,1,0,0,0|2,0,0]=4 951 B11R1.17 CCCOc1cccnc1C 7a_100000745507_100000210303 [0,1,1,0,0,0|2,0,0]=4 952 B11R1.17 CCCOc1cccnc1Cl 34a_100000757616_100000210303 [0,1,1,0,0,0|2,0,0]=4 953 B11R1.17 CCCOc1cccnc1Cl 7a_100000757616_100000210303 [0,1,1,0,0,0|2,0,0]=4 954 B11R1.17 CCCOc1cccnc1F 34a_100000061740_100000210303 [0,1,1,0,0,0|2,0,0]=4 955 B11R1.17 CCCOc1cccnc1F 7a_100000061740_100000210303 [0,1,1,0,0,0|2,0,0]=4 956 B11R1.17 CCCOc1cccnc1I 34a_100000034122_100000210303 [0,1,1,0,0,0|2,0,0]=4 957 B11R1.17 CCCOc1cccnc1I 7a_100000034122_100000210303 [0,1,1,0,0,0|2,0,0]=4 958 B11R1.17 CCCOc1cccnc1N 34a_100000211975_100000210303 [0,1,1,0,0,0|2,0,0]=4 959 B11R1.17 CCCOc1cccnc1N 7a_100000211975_100000210303 [0,1,1,0,0,0|2,0,0]=4 960 B11R1.17 CCCOc1cnccc1C 34a_100011997053_100000210303 [0,1,1,0,0,0|2,0,0]=4 961 B11R1.17 CCCOc1cnccc1C 7a_100011997053_100000210303 [0,1,1,0,0,0|2,0,0]=4 962 B11R1.17 CCCOc1cnccc1Cl 34a_100011996695_100000210303 [0,1,1,0,0,0|2,0,0]=4 963 B11R1.17 CCCOc1cnccc1I 34a_100000050107_100000210303 [0,1,1,0,0,0|2,0,0]=4 964 B11R1.17 CCCOc1cnccc1N 34a_100000753702_100000210303 [0,1,1,0,0,0|2,0,0]=4 965 B11R1.17 CCCOc1ncccc1Cl 34a_100011290957_100000210303 [0,1,1,0,0,0|2,0,0]=4 966 B11R1.17 CCCOc1ncccc1F 34a_100011219419_100000210303 [0,1,1,0,0,0|2,0,0]=4 967 B11R1.17 CCCOc1ncccc1N 34a_100000746358_100000210303 [0,1,1,0,0,0|2,0,0]=4 968 B11R1.17 CCCOc1ncccc1O 271570a_203496583355_200011465209 [0,1,1,0,0,0|2,0,0]=4 969 B11R1.17 CCCOc1nccnc1C 34a_100000766352_100000210303 [0,1,1,0,0,0|1,0,0]=3 970 B11R1.17 CCCSc1cccnc1Br 62a_100000210303_100010202626 [0,1,1,0,0,0|2,0,0]=4 971 B11R1.17 CCCSc1cccnc1Br 62a_100010202626_100000210303 [0,1,1,0,0,0|2,0,0]=4 972 B11R1.17 CCCSc1cccnc1C 62a_100000210303_100000751574 [0,1,1,0,0,0|2,0,0]=4 973 B11R1.17 CCCSc1cccnc1C 62a_100000751574_100000210303 [0,1,1,0,0,0|2,0,0]=4 974 B11R1.17 CCCSc1cccnc1Cl 62a_100000036424_100000210303 [0,1,1,0,0,0|2,0,0]=4 975 B11R1.17 CCCSc1cccnc1Cl 62a_100000210303_100000036424 [0,1,1,0,0,0|2,0,0]=4 976 B11R1.17 CCCSc1cccnc1F 62a_100000210303_100009816115 [0,1,1,0,0,0|2,0,0]=4 977 B11R1.17 CCCSc1cccnc1F 62a_100009816115_100000210303 [0,1,1,0,0,0|2,0,0]=4 978 B11R1.17 CCCSc1cccnc1N 62a_100000045569_100000210303 [0,1,1,0,0,0|2,0,0]=4 979 B11R1.17 CCCSc1cccnc1N 62a_100000210303_100000045569 [0,1,1,0,0,0|2,0,0]=4 980 B11R1.17 CCCSc1cccnc1O 62a_100000210303_100000760158 [0,1,1,0,0,0|2,0,0]=4 981 B11R1.17 CCCSc1cccnc1O 62a_100000760158_100000210303 [0,1,1,0,0,0|2,0,0]=4 982 B11R1.17 CCCSc1cnccc1Br 62a_100000210303_100010138639 [0,1,1,0,0,0|2,0,0]=4 983 B11R1.17 CCCSc1cnccc1Br 62a_100010138639_100000210303 [0,1,1,0,0,0|2,0,0]=4 984 B11R1.17 CCCSc1cnccc1C 62a_100000210303_100000761580 [0,1,1,0,0,0|2,0,0]=4 985 B11R1.17 CCCSc1cnccc1C 62a_100000761580_100000210303 [0,1,1,0,0,0|2,0,0]=4 986 B11R1.17 CCCSc1cnccc1Cl 62a_100000210303_100009995489 [0,1,1,0,0,0|2,0,0]=4 987 B11R1.17 CCCSc1cnccc1Cl 62a_100009995489_100000210303 [0,1,1,0,0,0|2,0,0]=4 988 B11R1.17 CCCSc1cnccc1F 62a_100000210303_100009820683 [0,1,1,0,0,0|2,0,0]=4 989 B11R1.17 CCCSc1cnccc1F 62a_100009820683_100000210303 [0,1,1,0,0,0|2,0,0]=4 990 B11R1.17 CCCSc1cnccc1N 62a_100000047001_100000210303 [0,1,1,0,0,0|2,0,0]=4 991 B11R1.17 CCCSc1cnccc1N 62a_100000210303_100000047001 [0,1,1,0,0,0|2,0,0]=4 992 B11R1.17 CCCSc1ncc[nH]c1=O 62a_100000210303_100000763361 [0,1,1,0,0,0|1,0,1]=4 993 B11R1.17 CCCSc1ncccc1Br 62a_100000210303_100000696092 [0,1,1,0,0,0|2,0,0]=4 994 B11R1.17 CCCSc1ncccc1Br 62a_100000696092_100000210303 [0,1,1,0,0,0|2,0,0]=4 995 B11R1.17 CCCSc1ncccc1C 62a_100000210303_100000751373 [0,1,1,0,0,0|2,0,0]=4 996 B11R1.17 CCCSc1ncccc1C 62a_100000751373_100000210303 [0,1,1,0,0,0|2,0,0]=4 997 B11R1.17 CCCSc1ncccc1Cl 62a_100000210303_100011356963 [0,1,1,0,0,0|2,0,0]=4 998 B11R1.17 CCCSc1ncccc1Cl 62a_100011356963_100000210303 [0,1,1,0,0,0|2,0,0]=4 999 B11R1.17 CCCSc1ncccc1F 62a_100000210303_100000685392 [0,1,1,0,0,0|2,0,0]=4 1000 B11R1.17 CCCSc1ncccc1F 62a_100000685392_100000210303 [0,1,1,0,0,0|2,0,0]=4 1001 B11R1.17 CCCSc1ncccc1N 62a_100000210303_100000688686 [0,1,1,0,0,0|2,0,0]=4 1002 B11R1.17 CCCSc1ncccc1N 62a_100000688686_100000210303 [0,1,1,0,0,0|2,0,0]=4 1003 B11R1.17 CCCSc1ncccc1O 62a_100000034122_100000210303 [0,1,1,0,0,0|2,0,0]=4 1004 B11R1.17 CCCSc1ncccc1O 62a_100000210303_100000034122 [0,1,1,0,0,0|2,0,0]=4 1005 B11R1.17 CCCSc1nccnc1C 62a_100000210303_100011999405 [0,1,1,0,0,0|1,0,0]=3 1006 B11R1.17 CCCSc1nccnc1C 62a_100011999405_100000210303 [0,1,1,0,0,0|1,0,0]=3 1007 B11R1.17 CCCSc1nccnc1Cl 62a_100000210303_100010886584 [0,1,1,0,0,0|1,0,0]=3 1008 B11R1.17 CCCSc1nccnc1Cl 62a_100010886584_100000210303 [0,1,1,0,0,0|1,0,0]=3 1009 B11R1.17 CCCSc1nccnc1F 62a_100000210303_200010125657 [0,1,1,0,0,0|1,0,0]=3 1010 B11R1.17 CCCSc1nccnc1F 62a_200010125657_100000210303 [0,1,1,0,0,0|1,0,0]=3 1011 B11R1.17 CCCSc1nccnc1N 62a_100000210303_100000747729 [0,1,1,0,0,0|1,0,0]=3 1012 B11R1.17 CCCSc1nccnc1N 62a_100000747729_100000210303 [0,1,1,0,0,0|1,0,0]=3 1013 B11R1.17 CCNCc1cccnc1Br 2230a_100009818023_100000210202 [0,1,1,0,0,0|2,0,0]=4 1014 B11R1.17 CCNCc1cccnc1Br 2230a_100015525214_100010140945 [0,1,1,0,0,0|2,0,0]=4 1015 B11R1.17 CCNCc1cccnc1Br 34a_100009818023_100000210202 [0,1,1,0,0,0|2,0,0]=4 1016 B11R1.17 CCNCc1cccnc1C 207a_100015525214_100000751968 [0,1,1,0,0,0|2,0,0]=4 1017 B11R1.17 CCNCc1cccnc1C 2230a_100015525214_100000732876 [0,1,1,0,0,0|2,0,0]=4 1018 B11R1.17 CCNCc1cccnc1C 270004a_100015525214_100000751968 [0,1,1,0,0,0|2,0,0]=4 1019 B11R1.17 CCNCc1cccnc1Cl 2230a_100015189234_100000210202 [0,1,1,0,0,0|2,0,0]=4 1020 B11R1.17 CCNCc1cccnc1Cl 2230a_100015525214_100000045678 [0,1,1,0,0,0|2,0,0]=4 1021 B11R1.17 CCNCc1cccnc1Cl 34a_100015189234_100000210202 [0,1,1,0,0,0|2,0,0]=4 1022 B11R1.17 CCNCc1cccnc1F 2230a_100015525214_100000099810 [0,1,1,0,0,0|2,0,0]=4 1023 B11R1.17 CCNCc1cccnc1F 34a_100000724633_100000210202 [0,1,1,0,0,0|2,0,0]=4 1024 B11R1.17 CCNCc1cccnc1O 207a_100015525214_100011998315 [0,1,1,0,0,0|2,0,0]=4 1025 B11R1.17 CCNCc1cccnc1O 270004a_100015525214_100011998315 [0,1,1,0,0,0|2,0,0]=4 1026 B11R1.17 CCNCc1cnccc1Br 270004a_100015525214_100009816821 [0,1,1,0,0,0|2,0,0]=4 1027 B11R1.17 CCNCc1cnccc1C 207a_100015525214_100000685662 [0,1,1,0,0,0|2,0,0]=4 1028 B11R1.17 CCNCc1cnccc1C 2230a_100015525214_100000690890 [0,1,1,0,0,0|2,0,0]=4 1029 B11R1.17 CCNCc1cnccc1C 270004a_100015525214_100000685662 [0,1,1,0,0,0|2,0,0]=4 1030 B11R1.17 CCNCc1cnccc1Cl 270004a_100015525214_100000050567 [0,1,1,0,0,0|2,0,0]=4 1031 B11R1.17 CCNCc1ncccc1Br 207a_100015525214_100011934733 [0,1,1,0,0,0|2,0,0]=4 1032 B11R1.17 CCNCc1ncccc1Br 2230a_100015525214_100025702911 [0,1,1,0,0,0|2,0,0]=4 1033 B11R1.17 CCNCc1ncccc1Br 270004a_100015525214_100011934733 [0,1,1,0,0,0|2,0,0]=4 1034 B11R1.17 CCNCc1ncccc1C 207a_100015525214_100000698913 [0,1,1,0,0,0|2,0,0]=4 1035 B11R1.17 CCNCc1ncccc1C 2230a_100015525214_100000696600 [0,1,1,0,0,0|2,0,0]=4 1036 B11R1.17 CCNCc1ncccc1C 270004a_100015525214_100000698913 [0,1,1,0,0,0|2,0,0]=4 1037 B11R1.17 CCNCc1ncccc1C 34a_100011223789_100000210202 [0,1,1,0,0,0|2,0,0]=4 1038 B11R1.17 CCNCc1ncccc1Cl 207a_100015525214_100012001307 [0,1,1,0,0,0|2,0,0]=4 1039 B11R1.17 CCNCc1ncccc1Cl 2230a_100015189233_100000210202 [0,1,1,0,0,0|2,0,0]=4 1040 B11R1.17 CCNCc1ncccc1Cl 2230a_100015525214_100000099807 [0,1,1,0,0,0|2,0,0]=4 1041 B11R1.17 CCNCc1ncccc1Cl 270004a_100015525214_100012001307 [0,1,1,0,0,0|2,0,0]=4 1042 B11R1.17 CCNCc1ncccc1F 207a_100015525214_100011934734 [0,1,1,0,0,0|2,0,0]=4 1043 B11R1.17 CCNCc1ncccc1F 2230a_100015525214_100000104219 [0,1,1,0,0,0|2,0,0]=4 1044 B11R1.17 CCNCc1ncccc1F 270004a_100015525214_100011934734 [0,1,1,0,0,0|2,0,0]=4 1045 B11R1.17 CCNCc1ncccc1F 34a_100000690088_100000210202 [0,1,1,0,0,0|2,0,0]=4 1046 B11R1.17 CCNCc1nccnc1C 2230a_100020641712_100000210202 [0,1,1,0,0,0|1,0,0]=3 1047 B11R1.17 CCNCc1nccnc1C 270004a_100015525214_100000050726 [0,1,1,0,0,0|1,0,0]=3 1048 B11R1.17 CCNCc1nccnc1C 34a_100020641712_100000210202 [0,1,1,0,0,0|1,0,0]=3 1049 B11R1.17 CCNCc1nccnc1Cl 2230a_100000729963_100000210202 [0,1,1,0,0,0|1,0,0]=3 1050 B11R1.17 CCOCc1cccnc1Br 34a_100000719692_100000210202 [0,1,1,0,0,0|2,0,0]=4 1051 B11R1.17 CCOCc1cccnc1Br 34a_100121572206_100010140945 [0,1,1,0,0,0|2,0,0]=4 1052 B11R1.17 CCOCc1cccnc1Br 7a_100000719692_100000210202 [0,1,1,0,0,0|2,0,0]=4 1053 B11R1.17 CCOCc1cccnc1C 34a_100000729262_100000210202 [0,1,1,0,0,0|2,0,0]=4 1054 B11R1.17 CCOCc1cccnc1C 34a_100121572206_100000732876 [0,1,1,0,0,0|2,0,0]=4 1055 B11R1.17 CCOCc1cccnc1C 7a_100000729262_100000210202 [0,1,1,0,0,0|2,0,0]=4 1056 B11R1.17 CCOCc1cccnc1Cl 34a_100000748726_100000210202 [0,1,1,0,0,0|2,0,0]=4 1057 B11R1.17 CCOCc1cccnc1Cl 34a_100121572206_100000045678 [0,1,1,0,0,0|2,0,0]=4 1058 B11R1.17 CCOCc1cccnc1Cl 7a_100000748726_100000210202 [0,1,1,0,0,0|2,0,0]=4 1059 B11R1.17 CCOCc1cccnc1F 34a_100000079888_100000210202 [0,1,1,0,0,0|2,0,0]=4 1060 B11R1.17 CCOCc1cccnc1F 34a_100121572206_100000099810 [0,1,1,0,0,0|2,0,0]=4 1061 B11R1.17 CCOCc1cccnc1F 7a_100000079888_100000210202 [0,1,1,0,0,0|2,0,0]=4 1062 B11R1.17 CCOCc1cnccc1C 34a_100011996381_100000210202 [0,1,1,0,0,0|2,0,0]=4 1063 B11R1.17 CCOCc1cnccc1C 34a_100121572206_100000690890 [0,1,1,0,0,0|2,0,0]=4 1064 B11R1.17 CCOCc1cnccc1Cl 34a_100000117392_100000210202 [0,1,1,0,0,0|2,0,0]=4 1065 B11R1.17 CCOCc1ncccc1Br 34a_100011996772_100000210202 [0,1,1,0,0,0|2,0,0]=4 1066 B11R1.17 CCOCc1ncccc1Br 34a_100121572206_100025702911 [0,1,1,0,0,0|2,0,0]=4 1067 B11R1.17 CCOCc1ncccc1C 34a_100000698912_100000210202 [0,1,1,0,0,0|2,0,0]=4 1068 B11R1.17 CCOCc1ncccc1C 34a_100121572206_100000696600 [0,1,1,0,0,0|2,0,0]=4 1069 B11R1.17 CCOCc1ncccc1Cl 34a_100012002383_100000210202 [0,1,1,0,0,0|2,0,0]=4 1070 B11R1.17 CCOCc1ncccc1F 34a_100011934865_100000210202 [0,1,1,0,0,0|2,0,0]=4 1071 B11R1.17 CCOCc1ncccc1F 34a_100121572206_100000104219 [0,1,1,0,0,0|2,0,0]=4 1072 B11R1.17 CCOCc1ncccc1N 34a_114873767017_100000210202 [0,1,1,0,0,0|2,0,0]=4 1073 B11R1.17 CCOCc1ncccc1O 34a_100121572206_200020655725 [0,1,1,0,0,0|2,0,0]=4 1074 B11R1.17 CCOCc1nccnc1Cl 34a_100000057004_100000210202 [0,1,1,0,0,0|1,0,0]=3 1075 B11R1.17 CCSCc1cccnc1Br 62a_100000210202_100010140945 [0,1,1,0,0,0|2,0,0]=4 1076 B11R1.17 CCSCc1cccnc1Br 62a_100010140945_100000210202 [0,1,1,0,0,0|2,0,0]=4 1077 B11R1.17 CCSCc1cccnc1C 62a_100000210202_100000732876 [0,1,1,0,0,0|2,0,0]=4 1078 B11R1.17 CCSCc1cccnc1C 62a_100000732876_100000210202 [0,1,1,0,0,0|2,0,0]=4 1079 B11R1.17 CCSCc1cccnc1Cl 62a_100000045678_100000210202 [0,1,1,0,0,0|2,0,0]=4 1080 B11R1.17 CCSCc1cccnc1Cl 62a_100000210202_100000045678 [0,1,1,0,0,0|2,0,0]=4 1081 B11R1.17 CCSCc1cccnc1F 62a_100000099810_100000210202 [0,1,1,0,0,0|2,0,0]=4 1082 B11R1.17 CCSCc1cccnc1F 62a_100000210202_100000099810 [0,1,1,0,0,0|2,0,0]=4 1083 B11R1.17 CCSCc1cnccc1C 62a_100000210202_100000690890 [0,1,1,0,0,0|2,0,0]=4 1084 B11R1.17 CCSCc1cnccc1C 62a_100000690890_100000210202 [0,1,1,0,0,0|2,0,0]=4 1085 B11R1.17 CCSCc1ncccc1Br 62a_100000210202_100025702911 [0,1,1,0,0,0|2,0,0]=4 1086 B11R1.17 CCSCc1ncccc1Br 62a_100025702911_100000210202 [0,1,1,0,0,0|2,0,0]=4 1087 B11R1.17 CCSCc1ncccc1C 62a_100000210202_100000696600 [0,1,1,0,0,0|2,0,0]=4 1088 B11R1.17 CCSCc1ncccc1C 62a_100000696600_100000210202 [0,1,1,0,0,0|2,0,0]=4 1089 B11R1.17 CCSCc1ncccc1Cl 62a_100000099807_100000210202 [0,1,1,0,0,0|2,0,0]=4 1090 B11R1.17 CCSCc1ncccc1Cl 62a_100000210202_100000099807 [0,1,1,0,0,0|2,0,0]=4 1091 B11R1.17 CCSCc1ncccc1F 62a_100000104219_100000210202 [0,1,1,0,0,0|2,0,0]=4 1092 B11R1.17 CCSCc1ncccc1F 62a_100000210202_100000104219 [0,1,1,0,0,0|2,0,0]=4 1093 B11R1.17 CCSCc1ncccc1O 62a_100000210202_200020655725 [0,1,1,0,0,0|2,0,0]=4 1094 B11R1.17 CCSCc1ncccc1O 62a_200020655725_100000210202 [0,1,1,0,0,0|2,0,0]=4 1095 B11R1.17 COCCc1ncccc1C 34a_100011997706_200000210301 [0,1,1,0,0,0|2,0,0]=4 1096 B11R1.17 COCCc1ncccc1C 7a_100011997706_200000210301 [0,1,1,0,0,0|2,0,0]=4 1097 B11R1.17 COCSc1nccnc1C 62a_100000766300_100011999405 [0,1,1,0,0,0|2,0,0]=4 1098 B11R1.17 COCSc1nccnc1C 62a_100011999405_100000766300 [0,1,1,0,0,0|2,0,0]=4 1099 B11R1.17 COCSc1nccnc1Cl 62a_100000766300_100010886584 [0,1,1,0,0,0|2,0,0]=4 1100 B11R1.17 COCSc1nccnc1Cl 62a_100010886584_100000766300 [0,1,1,0,0,0|2,0,0]=4 1101 B11R1.17 COCSc1nccnc1F 62a_100000766300_200010125657 [0,1,1,0,0,0|2,0,0]=4 1102 B11R1.17 COCSc1nccnc1F 62a_200010125657_100000766300 [0,1,1,0,0,0|2,0,0]=4 1103 B11R1.17 COCSc1nccnc1N 62a_100000747729_100000766300 [0,1,1,0,0,0|2,0,0]=4 1104 B11R1.17 COCSc1nccnc1N 62a_100000766300_100000747729 [0,1,1,0,0,0|2,0,0]=4 1105 B11R1.17 CSCOc1nccnc1C 34a_100000766352_100011218213 [0,1,1,0,0,0|2,0,0]=4 1106 B11R1.17 CSCSc1nccnc1C 62a_100011218213_100011999405 [0,1,1,0,0,0|2,0,0]=4 1107 B11R1.17 CSCSc1nccnc1C 62a_100011999405_100011218213 [0,1,1,0,0,0|2,0,0]=4 1108 B11R1.17 CSCSc1nccnc1Cl 62a_100010886584_100011218213 [0,1,1,0,0,0|2,0,0]=4 1109 B11R1.17 CSCSc1nccnc1Cl 62a_100011218213_100010886584 [0,1,1,0,0,0|2,0,0]=4 1110 B11R1.17 CSCSc1nccnc1F 62a_100011218213_200010125657 [0,1,1,0,0,0|2,0,0]=4 1111 B11R1.17 CSCSc1nccnc1F 62a_200010125657_100011218213 [0,1,1,0,0,0|2,0,0]=4 1112 B11R1.17 CSCSc1nccnc1N 62a_100000747729_100011218213 [0,1,1,0,0,0|2,0,0]=4 1113 B11R1.17 CSCSc1nccnc1N 62a_100011218213_100000747729 [0,1,1,0,0,0|2,0,0]=4 1114 B11R1.17 Cc1cccnc1CCO[13CH3] 34a_100011997706_200025704644 [0,1,1,0,0,0|2,0,0]=4 1115 B11R1.17 Cc1cccnc1CCO[13CH3] 7a_100011997706_200025704644 [0,1,1,0,0,0|2,0,0]=4 1116 B11R1.17 Cc1nccnc1CNCF 34a_100020641712_100015361967 [0,1,1,0,0,0|2,0,0]=4 1117 B11R1.17 Cc1nccnc1NCCO 27a_100000210304_100011999405 [0,1,1,0,0,0|2,0,0]=4 1118 B11R1.17 Cc1nccnc1OCCF 34a_100000766352_100011217306 [0,1,1,0,0,0|2,0,0]=4 1119 B11R1.17 Cc1nccnc1OCCO 34a_100000766352_100000211926 [0,1,1,0,0,0|2,0,0]=4 1120 B11R1.17 Cc1nccnc1SCCF 62a_100011217306_100011999405 [0,1,1,0,0,0|2,0,0]=4 1121 B11R1.17 Cc1nccnc1SCCF 62a_100011999405_100011217306 [0,1,1,0,0,0|2,0,0]=4 1122 B11R1.17 Cc1nccnc1SCCO 62a_100000211926_100011999405 [0,1,1,0,0,0|2,0,0]=4 1123 B11R1.17 Cc1nccnc1SCCO 62a_100011999405_100000211926 [0,1,1,0,0,0|2,0,0]=4 1124 B11R1.17 FCCSc1nccnc1Cl 62a_100010886584_100011217306 [0,1,1,0,0,0|2,0,0]=4 1125 B11R1.17 FCCSc1nccnc1Cl 62a_100011217306_100010886584 [0,1,1,0,0,0|2,0,0]=4 1126 B11R1.17 FCCSc1nccnc1F 62a_100011217306_200010125657 [0,1,1,0,0,0|2,0,0]=4 1127 B11R1.17 FCCSc1nccnc1F 62a_200010125657_100011217306 [0,1,1,0,0,0|2,0,0]=4 1128 B11R1.17 FCOCc1nccnc1Cl 34a_100000057004_100015361967 [0,1,1,0,0,0|2,0,0]=4 1129 B11R1.17 Nc1nccnc1SCCF 62a_100000747729_100011217306 [0,1,1,0,0,0|2,0,0]=4 1130 B11R1.17 Nc1nccnc1SCCF 62a_100011217306_100000747729 [0,1,1,0,0,0|2,0,0]=4 1131 B11R1.17 Nc1nccnc1SCCO 62a_100000211926_100000747729 [0,1,1,0,0,0|2,0,0]=4 1132 B11R1.17 Nc1nccnc1SCCO 62a_100000747729_100000211926 [0,1,1,0,0,0|2,0,0]=4 1133 B11R1.17 OCCNc1nccnc1F 27a_100000210304_200010125657 [0,1,1,0,0,0|2,0,0]=4 1134 B11R1.17 OCCNc1nccnc1O 271570a_203496583355_200011219046 [0,1,1,0,0,0|2,0,0]=4 1135 B11R1.17 OCCSc1nccnc1Cl 62a_100000211926_100010886584 [0,1,1,0,0,0|2,0,0]=4 1136 B11R1.17 OCCSc1nccnc1Cl 62a_100010886584_100000211926 [0,1,1,0,0,0|2,0,0]=4 1137 B11R1.17 OCCSc1nccnc1F 62a_100000211926_200010125657 [0,1,1,0,0,0|2,0,0]=4 1138 B11R1.17 OCCSc1nccnc1F 62a_200010125657_100000211926 [0,1,1,0,0,0|2,0,0]=4 1139 B11R1.24 CCCCc1c[n+](ccn1)[O-] 271570a_100020621405_100009880115 [0,1,1,0,0,0|0,0,1]=3 1140 B11R1.24 CCCCc1cc(ccn1)C 271570a_100020621405_100000750283 [0,1,1,0,0,0|1,0,0]=3 1141 B11R1.24 CCCCc1cc(ccn1)Cl 271570a_100020621405_100010167805 [0,1,1,0,0,0|1,0,0]=3 1142 B11R1.24 CCCCc1cc(ccn1)F 271570a_100020621405_100009817058 [0,1,1,0,0,0|1,0,0]=3 1143 B11R1.24 CCCCc1cc(ccn1)N 271570a_100020621405_100009814236 [0,1,1,0,0,0|1,0,0]=3 1144 B11R1.24 CCCCc1cc(ccn1)O 271570a_100020621405_100000762945 [0,1,1,0,0,0|1,0,0]=3 1145 B11R1.24 CCCCc1cc(cnn1)C 271570a_100020621405_100000070100 [0,1,1,0,0,0|2,0,0]=4 1146 B11R1.24 CCCCc1cc(cnn1)O 271570a_100020621405_200010734679 [0,1,1,0,0,0|2,0,0]=4 1147 B11R1.24 CCCCc1cc(ncn1)C 271570a_100020621405_100000744208 [0,1,1,0,0,0|2,0,0]=4 1148 B11R1.24 CCCCc1cc(ncn1)F 271570a_100020621405_200009880791 [0,1,1,0,0,0|2,0,0]=4 1149 B11R1.24 CCCCc1cc(ncn1)N 271570a_100020621405_100000701291 [0,1,1,0,0,0|2,0,0]=4 1150 B11R1.24 CCCCc1cc(ncn1)O 271570a_100020621405_100000765262 [0,1,1,0,0,0|2,0,0]=4 1151 B11R1.24 CCCCc1cc[nH]c(=O)n1 271570a_100020621405_200000134032 [0,1,1,0,0,0|2,0,0]=4 1152 B11R1.24 CCCCc1ccc[n+](c1)C 271570a_100020621405_100009996589 [0,1,1,0,0,0|1,0,1]=4 1153 B11R1.24 CCCCc1ccc[n+](c1)[O-] 271570a_100020621405_100009815978 [0,1,1,0,0,0|1,0,1]=4 1154 B11R1.24 CCCCc1cccc(=O)[nH]1 271570a_100020621405_100000761760 [0,1,1,0,0,0|1,0,1]=4 1155 B11R1.24 CCCCc1cccc(c1)Br 271570a_100020621405_100000691529 [0,1,1,0,0,0|2,0,0]=4 1156 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [0,1,1,0,0,0|2,0,0]=4 1157 B11R1.24 CCCCc1cccc(c1)Cl 271570a_100020621405_100000699651 [0,1,1,0,0,0|2,0,0]=4 1158 B11R1.24 CCCCc1cccc(c1)F 271570a_100020621405_100000685547 [0,1,1,0,0,0|2,0,0]=4 1159 B11R1.24 CCCCc1cccc(c1)N 271570a_100020621405_100000210019 [0,1,1,0,0,0|2,0,0]=4 1160 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [0,1,1,0,0,0|2,0,0]=4 1161 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [0,1,1,0,0,0|2,0,0]=4 1162 B11R1.24 CCCCc1cccc(c1)[S] 271570a_100020621405_114929384022 [0,1,1,0,0,0|2,0,0]=4 1163 B11R1.24 CCCCc1cccc(n1)Br 271570a_100020621405_100000684672 [0,1,1,0,0,0|1,0,0]=3 1164 B11R1.24 CCCCc1cccc(n1)C 271570a_100020621405_100000742759 [0,1,1,0,0,0|1,0,0]=3 1165 B11R1.24 CCCCc1cccc(n1)F 271570a_100020621405_100009815982 [0,1,1,0,0,0|1,0,0]=3 1166 B11R1.24 CCCCc1cccc(n1)N 271570a_100020621405_100000740741 [0,1,1,0,0,0|1,0,0]=3 1167 B11R1.24 CCCCc1ccnc(n1)C 271570a_100020621405_100000749937 [0,1,1,0,0,0|2,0,0]=4 1168 B11R1.24 CCCCc1ccnc(n1)N 271570a_100020621405_100009820717 [0,1,1,0,0,0|2,0,0]=4 1169 B11R1.24 CCCCc1cn[nH]c(=O)c1 271570a_100020621405_100010197405 [0,1,1,0,0,0|2,0,0]=4 1170 B11R1.24 CCCCc1cncc(c1)Br 271570a_100020621405_100000728054 [0,1,1,0,0,0|1,0,0]=3 1171 B11R1.24 CCCCc1cncc(c1)C 271570a_100020621405_100000760492 [0,1,1,0,0,0|1,0,0]=3 1172 B11R1.24 CCCCc1cncc(c1)Cl 271570a_100020621405_100000049639 [0,1,1,0,0,0|1,0,0]=3 1173 B11R1.24 CCCCc1cncc(c1)F 271570a_100020621405_100000744099 [0,1,1,0,0,0|1,0,0]=3 1174 B11R1.24 CCCCc1cncc(c1)N 271570a_100020621405_100000687067 [0,1,1,0,0,0|1,0,0]=3 1175 B11R1.24 CCCCc1cncc(c1)O 271570a_100020621405_100000754920 [0,1,1,0,0,0|1,0,0]=3 1176 B11R1.24 CCCCc1cncc(n1)C 271570a_100020621405_100009842155 [0,1,1,0,0,0|0,0,0]=2 1177 B11R1.24 CCCCc1cncc(n1)F 271570a_100020621405_200009863489 [0,1,1,0,0,0|0,0,0]=2 1178 B11R1.24 CCCCc1cncc(n1)N 271570a_100020621405_100009819714 [0,1,1,0,0,0|0,0,0]=2 1179 B11R1.24 CCCCc1cncc(n1)O 271570a_100020621405_100011269956 [0,1,1,0,0,0|0,0,0]=2 1180 B11R1.24 CCCCc1cnnc(c1)N 271570a_100020621405_100000130277 [0,1,1,0,0,0|2,0,0]=4 1181 B11R1.24 CCCCc1nccc(n1)C 271570a_100020621405_100011243806 [0,1,1,0,0,0|2,0,0]=4 1182 B11R1.24 CCCCc1nccc(n1)N 271570a_100020621405_100000757536 [0,1,1,0,0,0|2,0,0]=4 1183 B11R1.24 CCCCc1nccc(n1)O 271570a_100020621405_100011649813 [0,1,1,0,0,0|2,0,0]=4 1184 B11R1.24 CCCNc1cccc(n1)O 271570a_203496583355_200025756634 [0,1,1,0,0,0|2,0,0]=4 1185 B11R1.24 CCCNc1cncc(n1)O 271570a_203496583355_200011529425 [0,1,1,0,0,0|1,0,0]=3 1186 B11R1.24 CCCOc1cccc(n1)F 34a_100011432558_100000210303 [0,1,1,0,0,0|2,0,0]=4 1187 B11R1.24 CCCOc1cccc(n1)O 271570a_203496583355_200011960250 [0,1,1,0,0,0|2,0,0]=4 1188 B11R1.24 CCCOc1cncc(c1)Br 34a_100000754920_100000210303 [0,1,1,0,0,0|2,0,0]=4 1189 B11R1.24 CCCOc1cncc(c1)Br 7a_100000754920_100000210303 [0,1,1,0,0,0|2,0,0]=4 1190 B11R1.24 CCCOc1cncc(c1)C 34a_100011830280_100000210303 [0,1,1,0,0,0|2,0,0]=4 1191 B11R1.24 CCCOc1cncc(c1)C 7a_100011830280_100000210303 [0,1,1,0,0,0|2,0,0]=4 1192 B11R1.24 CCCOc1cncc(c1)Cl 7a_100000032511_100000210303 [0,1,1,0,0,0|2,0,0]=4 1193 B11R1.24 CCCOc1cncc(c1)F 34a_100011830296_100000210303 [0,1,1,0,0,0|2,0,0]=4 1194 B11R1.24 CCCOc1cncc(c1)F 7a_100011830296_100000210303 [0,1,1,0,0,0|2,0,0]=4 1195 B11R1.24 CCCOc1cncc(c1)N 34a_100011997051_100000210303 [0,1,1,0,0,0|2,0,0]=4 1196 B11R1.24 CCCOc1cncc(c1)O 271570a_203496583355_200012029621 [0,1,1,0,0,0|2,0,0]=4 1197 B11R1.24 CCCSc1c[n+](ccn1)[O-] 62a_100000210303_100009880115 [0,1,1,0,0,0|1,0,1]=4 1198 B11R1.24 CCCSc1cc(ccn1)C 62a_100000210303_100000750283 [0,1,1,0,0,0|2,0,0]=4 1199 B11R1.24 CCCSc1cc(ccn1)C 62a_100000750283_100000210303 [0,1,1,0,0,0|2,0,0]=4 1200 B11R1.24 CCCSc1cc(ccn1)Cl 62a_100000210303_100010167805 [0,1,1,0,0,0|2,0,0]=4 1201 B11R1.24 CCCSc1cc(ccn1)Cl 62a_100010167805_100000210303 [0,1,1,0,0,0|2,0,0]=4 1202 B11R1.24 CCCSc1cc(ccn1)F 62a_100000210303_100000764206 [0,1,1,0,0,0|2,0,0]=4 1203 B11R1.24 CCCSc1cc(ccn1)F 62a_100000764206_100000210303 [0,1,1,0,0,0|2,0,0]=4 1204 B11R1.24 CCCSc1cc(ccn1)N 62a_100000210303_100009814236 [0,1,1,0,0,0|2,0,0]=4 1205 B11R1.24 CCCSc1cc(ccn1)N 62a_100009814236_100000210303 [0,1,1,0,0,0|2,0,0]=4 1206 B11R1.24 CCCSc1cc(ccn1)O 62a_100000210303_100000762945 [0,1,1,0,0,0|2,0,0]=4 1207 B11R1.24 CCCSc1cccc(n1)Br 62a_100000210303_100000684672 [0,1,1,0,0,0|2,0,0]=4 1208 B11R1.24 CCCSc1cccc(n1)Br 62a_100000684672_100000210303 [0,1,1,0,0,0|2,0,0]=4 1209 B11R1.24 CCCSc1cccc(n1)C 62a_100000210303_100000742759 [0,1,1,0,0,0|2,0,0]=4 1210 B11R1.24 CCCSc1cccc(n1)C 62a_100000742759_100000210303 [0,1,1,0,0,0|2,0,0]=4 1211 B11R1.24 CCCSc1cccc(n1)Cl 62a_100000051397_100000210303 [0,1,1,0,0,0|2,0,0]=4 1212 B11R1.24 CCCSc1cccc(n1)Cl 62a_100000210303_100000051397 [0,1,1,0,0,0|2,0,0]=4 1213 B11R1.24 CCCSc1cccc(n1)F 62a_100000210303_100009815982 [0,1,1,0,0,0|2,0,0]=4 1214 B11R1.24 CCCSc1cccc(n1)F 62a_100009815982_100000210303 [0,1,1,0,0,0|2,0,0]=4 1215 B11R1.24 CCCSc1cccc(n1)N 62a_100000210303_100000740741 [0,1,1,0,0,0|2,0,0]=4 1216 B11R1.24 CCCSc1cccc(n1)N 62a_100000740741_100000210303 [0,1,1,0,0,0|2,0,0]=4 1217 B11R1.24 CCCSc1cncc(c1)Br 62a_100000210303_100000728054 [0,1,1,0,0,0|2,0,0]=4 1218 B11R1.24 CCCSc1cncc(c1)Br 62a_100000728054_100000210303 [0,1,1,0,0,0|2,0,0]=4 1219 B11R1.24 CCCSc1cncc(c1)C 62a_100000210303_100000760492 [0,1,1,0,0,0|2,0,0]=4 1220 B11R1.24 CCCSc1cncc(c1)C 62a_100000760492_100000210303 [0,1,1,0,0,0|2,0,0]=4 1221 B11R1.24 CCCSc1cncc(c1)Cl 62a_100000049639_100000210303 [0,1,1,0,0,0|2,0,0]=4 1222 B11R1.24 CCCSc1cncc(c1)Cl 62a_100000210303_100000049639 [0,1,1,0,0,0|2,0,0]=4 1223 B11R1.24 CCCSc1cncc(c1)F 62a_100000210303_100000744099 [0,1,1,0,0,0|2,0,0]=4 1224 B11R1.24 CCCSc1cncc(c1)F 62a_100000744099_100000210303 [0,1,1,0,0,0|2,0,0]=4 1225 B11R1.24 CCCSc1cncc(c1)N 62a_100000210303_100000687067 [0,1,1,0,0,0|2,0,0]=4 1226 B11R1.24 CCCSc1cncc(c1)N 62a_100000687067_100000210303 [0,1,1,0,0,0|2,0,0]=4 1227 B11R1.24 CCCSc1cncc(c1)O 62a_100000210303_100000754920 [0,1,1,0,0,0|2,0,0]=4 1228 B11R1.24 CCCSc1cncc(c1)O 62a_100000754920_100000210303 [0,1,1,0,0,0|2,0,0]=4 1229 B11R1.24 CCCSc1cncc(n1)C 62a_100000210303_100000754123 [0,1,1,0,0,0|1,0,0]=3 1230 B11R1.24 CCCSc1cncc(n1)C 62a_100000754123_100000210303 [0,1,1,0,0,0|1,0,0]=3 1231 B11R1.24 CCCSc1cncc(n1)Cl 62a_100000210303_100010892449 [0,1,1,0,0,0|1,0,0]=3 1232 B11R1.24 CCCSc1cncc(n1)Cl 62a_100010892449_100000210303 [0,1,1,0,0,0|1,0,0]=3 1233 B11R1.24 CCCSc1cncc(n1)F 62a_100000210303_200009863489 [0,1,1,0,0,0|1,0,0]=3 1234 B11R1.24 CCCSc1cncc(n1)F 62a_200009863489_100000210303 [0,1,1,0,0,0|1,0,0]=3 1235 B11R1.24 CCCSc1cncc(n1)N 62a_100000210303_100000747728 [0,1,1,0,0,0|1,0,0]=3 1236 B11R1.24 CCCSc1cncc(n1)N 62a_100000747728_100000210303 [0,1,1,0,0,0|1,0,0]=3 1237 B11R1.24 CCCSc1cncc(n1)O 62a_100000210303_100011269956 [0,1,1,0,0,0|1,0,0]=3 1238 B11R1.24 CCNCc1cc(ccn1)Br 2230a_100015525214_100010173614 [0,1,1,0,0,0|2,0,0]=4 1239 B11R1.24 CCNCc1cc(ccn1)Br 270004a_100015525214_100009818557 [0,1,1,0,0,0|2,0,0]=4 1240 B11R1.24 CCNCc1cc(ccn1)C 207a_100015525214_100011361488 [0,1,1,0,0,0|2,0,0]=4 1241 B11R1.24 CCNCc1cc(ccn1)C 2230a_100015525214_100000718516 [0,1,1,0,0,0|2,0,0]=4 1242 B11R1.24 CCNCc1cc(ccn1)C 270004a_100015525214_100011361488 [0,1,1,0,0,0|2,0,0]=4 1243 B11R1.24 CCNCc1cc(ccn1)Cl 2230a_100015525214_100016988179 [0,1,1,0,0,0|2,0,0]=4 1244 B11R1.24 CCNCc1cc(ccn1)Cl 270004a_100015525214_100011998288 [0,1,1,0,0,0|2,0,0]=4 1245 B11R1.24 CCNCc1cccc(n1)Br 2230a_100015525214_100009889011 [0,1,1,0,0,0|2,0,0]=4 1246 B11R1.24 CCNCc1cccc(n1)Br 2230a_100016987751_100000210202 [0,1,1,0,0,0|2,0,0]=4 1247 B11R1.24 CCNCc1cccc(n1)Br 270004a_100015525214_100000688028 [0,1,1,0,0,0|2,0,0]=4 1248 B11R1.24 CCNCc1cccc(n1)C 207a_100015525214_100011215050 [0,1,1,0,0,0|2,0,0]=4 1249 B11R1.24 CCNCc1cccc(n1)C 2230a_100015525214_100000757606 [0,1,1,0,0,0|2,0,0]=4 1250 B11R1.24 CCNCc1cccc(n1)C 270004a_100015525214_100011215050 [0,1,1,0,0,0|2,0,0]=4 1251 B11R1.24 CCNCc1cccc(n1)C 34a_100000701342_100000210202 [0,1,1,0,0,0|2,0,0]=4 1252 B11R1.24 CCNCc1cccc(n1)Cl 2230a_100015525214_100000086093 [0,1,1,0,0,0|2,0,0]=4 1253 B11R1.24 CCNCc1cccc(n1)Cl 2230a_100016990191_100000210202 [0,1,1,0,0,0|2,0,0]=4 1254 B11R1.24 CCNCc1cccc(n1)Cl 270004a_100015525214_100011361687 [0,1,1,0,0,0|2,0,0]=4 1255 B11R1.24 CCNCc1cccc(n1)F 2230a_100015188798_100000210202 [0,1,1,0,0,0|2,0,0]=4 1256 B11R1.24 CCNCc1cccc(n1)F 2230a_100015525214_100009819644 [0,1,1,0,0,0|2,0,0]=4 1257 B11R1.24 CCNCc1cccc(n1)F 270004a_100015525214_100000050434 [0,1,1,0,0,0|2,0,0]=4 1258 B11R1.24 CCNCc1cccc(n1)F 34a_100015188798_100000210202 [0,1,1,0,0,0|2,0,0]=4 1259 B11R1.24 CCNCc1cncc(c1)Br 207a_100015525214_100000687066 [0,1,1,0,0,0|2,0,0]=4 1260 B11R1.24 CCNCc1cncc(c1)Br 2230a_100015525214_100000738771 [0,1,1,0,0,0|2,0,0]=4 1261 B11R1.24 CCNCc1cncc(c1)Br 270004a_100015525214_100000687066 [0,1,1,0,0,0|2,0,0]=4 1262 B11R1.24 CCNCc1cncc(c1)C 207a_100015525214_100011998712 [0,1,1,0,0,0|2,0,0]=4 1263 B11R1.24 CCNCc1cncc(c1)C 2230a_100000692839_100000210202 [0,1,1,0,0,0|2,0,0]=4 1264 B11R1.24 CCNCc1cncc(c1)C 2230a_100015525214_100000716715 [0,1,1,0,0,0|2,0,0]=4 1265 B11R1.24 CCNCc1cncc(c1)C 270004a_100015525214_100011998712 [0,1,1,0,0,0|2,0,0]=4 1266 B11R1.24 CCNCc1cncc(c1)C 34a_100000692839_100000210202 [0,1,1,0,0,0|2,0,0]=4 1267 B11R1.24 CCNCc1cncc(c1)Cl 207a_100015525214_100000088910 [0,1,1,0,0,0|2,0,0]=4 1268 B11R1.24 CCNCc1cncc(c1)Cl 2230a_100015525214_100016992070 [0,1,1,0,0,0|2,0,0]=4 1269 B11R1.24 CCNCc1cncc(c1)Cl 2230a_200020614424_100000210202 [0,1,1,0,0,0|2,0,0]=4 1270 B11R1.24 CCNCc1cncc(c1)Cl 270004a_100015525214_100000088910 [0,1,1,0,0,0|2,0,0]=4 1271 B11R1.24 CCNCc1cncc(c1)F 207a_100015525214_100011361476 [0,1,1,0,0,0|2,0,0]=4 1272 B11R1.24 CCNCc1cncc(c1)F 2230a_100011962886_100000210202 [0,1,1,0,0,0|2,0,0]=4 1273 B11R1.24 CCNCc1cncc(c1)F 2230a_100015525214_100000725299 [0,1,1,0,0,0|2,0,0]=4 1274 B11R1.24 CCNCc1cncc(c1)F 270004a_100015525214_100011361476 [0,1,1,0,0,0|2,0,0]=4 1275 B11R1.24 CCNCc1cncc(c1)F 34a_100011962886_100000210202 [0,1,1,0,0,0|2,0,0]=4 1276 B11R1.24 CCNCc1cncc(c1)O 207a_100015525214_100012187055 [0,1,1,0,0,0|2,0,0]=4 1277 B11R1.24 CCNCc1cncc(c1)O 270004a_100015525214_100012187055 [0,1,1,0,0,0|2,0,0]=4 1278 B11R1.24 CCNCc1cncc(n1)C 207a_100015525214_100000100294 [0,1,1,0,0,0|1,0,0]=3 1279 B11R1.24 CCNCc1cncc(n1)C 270004a_100015525214_100000100294 [0,1,1,0,0,0|1,0,0]=3 1280 B11R1.24 CCOCc1cc(ccn1)Br 34a_100121572206_100010173614 [0,1,1,0,0,0|2,0,0]=4 1281 B11R1.24 CCOCc1cc(ccn1)C 34a_100011998357_100000210202 [0,1,1,0,0,0|2,0,0]=4 1282 B11R1.24 CCOCc1cc(ccn1)C 34a_100121572206_100000718516 [0,1,1,0,0,0|2,0,0]=4 1283 B11R1.24 CCOCc1cc(ccn1)Cl 34a_100000748867_100000210202 [0,1,1,0,0,0|2,0,0]=4 1284 B11R1.24 CCOCc1cc(ccn1)Cl 34a_100121572206_100016988179 [0,1,1,0,0,0|2,0,0]=4 1285 B11R1.24 CCOCc1cc(ccn1)N 34a_100000692640_100000210202 [0,1,1,0,0,0|2,0,0]=4 1286 B11R1.24 CCOCc1cccc(n1)Br 34a_100000694195_100000210202 [0,1,1,0,0,0|2,0,0]=4 1287 B11R1.24 CCOCc1cccc(n1)Br 34a_100121572206_100009889011 [0,1,1,0,0,0|2,0,0]=4 1288 B11R1.24 CCOCc1cccc(n1)C 34a_100000690600_100000210202 [0,1,1,0,0,0|2,0,0]=4 1289 B11R1.24 CCOCc1cccc(n1)C 34a_100121572206_100000757606 [0,1,1,0,0,0|2,0,0]=4 1290 B11R1.24 CCOCc1cccc(n1)Cl 34a_100011998359_100000210202 [0,1,1,0,0,0|2,0,0]=4 1291 B11R1.24 CCOCc1cccc(n1)Cl 34a_100121572206_100000086093 [0,1,1,0,0,0|2,0,0]=4 1292 B11R1.24 CCOCc1cccc(n1)F 34a_100000086748_100000210202 [0,1,1,0,0,0|2,0,0]=4 1293 B11R1.24 CCOCc1cccc(n1)F 34a_100121572206_100009819644 [0,1,1,0,0,0|2,0,0]=4 1294 B11R1.24 CCOCc1cncc(c1)Br 34a_100011259137_100000210202 [0,1,1,0,0,0|2,0,0]=4 1295 B11R1.24 CCOCc1cncc(c1)Br 34a_100121572206_100000738771 [0,1,1,0,0,0|2,0,0]=4 1296 B11R1.24 CCOCc1cncc(c1)Br 7a_100011259137_100000210202 [0,1,1,0,0,0|2,0,0]=4 1297 B11R1.24 CCOCc1cncc(c1)C 34a_100011998709_100000210202 [0,1,1,0,0,0|2,0,0]=4 1298 B11R1.24 CCOCc1cncc(c1)C 34a_100121572206_100000716715 [0,1,1,0,0,0|2,0,0]=4 1299 B11R1.24 CCOCc1cncc(c1)C 7a_100011998709_100000210202 [0,1,1,0,0,0|2,0,0]=4 1300 B11R1.24 CCOCc1cncc(c1)Cl 34a_100000092867_100000210202 [0,1,1,0,0,0|2,0,0]=4 1301 B11R1.24 CCOCc1cncc(c1)Cl 34a_100121572206_100016992070 [0,1,1,0,0,0|2,0,0]=4 1302 B11R1.24 CCOCc1cncc(c1)Cl 7a_100000092867_100000210202 [0,1,1,0,0,0|2,0,0]=4 1303 B11R1.24 CCOCc1cncc(c1)F 34a_100011962875_100000210202 [0,1,1,0,0,0|2,0,0]=4 1304 B11R1.24 CCOCc1cncc(c1)F 34a_100121572206_100000725299 [0,1,1,0,0,0|2,0,0]=4 1305 B11R1.24 CCOCc1cncc(c1)F 7a_100011962875_100000210202 [0,1,1,0,0,0|2,0,0]=4 1306 B11R1.24 CCOCc1cncc(c1)N 34a_100000085308_100000210202 [0,1,1,0,0,0|2,0,0]=4 1307 B11R1.24 CCSCc1cc(ccn1)Br 62a_100000210202_100010173614 [0,1,1,0,0,0|2,0,0]=4 1308 B11R1.24 CCSCc1cc(ccn1)Br 62a_100010173614_100000210202 [0,1,1,0,0,0|2,0,0]=4 1309 B11R1.24 CCSCc1cc(ccn1)C 62a_100000210202_100000718516 [0,1,1,0,0,0|2,0,0]=4 1310 B11R1.24 CCSCc1cc(ccn1)C 62a_100000718516_100000210202 [0,1,1,0,0,0|2,0,0]=4 1311 B11R1.24 CCSCc1cc(ccn1)Cl 62a_100000210202_100016988179 [0,1,1,0,0,0|2,0,0]=4 1312 B11R1.24 CCSCc1cc(ccn1)Cl 62a_100016988179_100000210202 [0,1,1,0,0,0|2,0,0]=4 1313 B11R1.24 CCSCc1cccc(n1)Br 62a_100000210202_100009889011 [0,1,1,0,0,0|2,0,0]=4 1314 B11R1.24 CCSCc1cccc(n1)Br 62a_100009889011_100000210202 [0,1,1,0,0,0|2,0,0]=4 1315 B11R1.24 CCSCc1cccc(n1)C 62a_100000210202_100000757606 [0,1,1,0,0,0|2,0,0]=4 1316 B11R1.24 CCSCc1cccc(n1)C 62a_100000757606_100000210202 [0,1,1,0,0,0|2,0,0]=4 1317 B11R1.24 CCSCc1cccc(n1)Cl 62a_100000086093_100000210202 [0,1,1,0,0,0|2,0,0]=4 1318 B11R1.24 CCSCc1cccc(n1)Cl 62a_100000210202_100000086093 [0,1,1,0,0,0|2,0,0]=4 1319 B11R1.24 CCSCc1cccc(n1)F 62a_100000210202_100009819644 [0,1,1,0,0,0|2,0,0]=4 1320 B11R1.24 CCSCc1cccc(n1)F 62a_100009819644_100000210202 [0,1,1,0,0,0|2,0,0]=4 1321 B11R1.24 CCSCc1cncc(c1)Br 62a_100000210202_100000738771 [0,1,1,0,0,0|2,0,0]=4 1322 B11R1.24 CCSCc1cncc(c1)Br 62a_100000738771_100000210202 [0,1,1,0,0,0|2,0,0]=4 1323 B11R1.24 CCSCc1cncc(c1)C 62a_100000210202_100000716715 [0,1,1,0,0,0|2,0,0]=4 1324 B11R1.24 CCSCc1cncc(c1)C 62a_100000716715_100000210202 [0,1,1,0,0,0|2,0,0]=4 1325 B11R1.24 CCSCc1cncc(c1)Cl 62a_100000210202_100016992070 [0,1,1,0,0,0|2,0,0]=4 1326 B11R1.24 CCSCc1cncc(c1)Cl 62a_100016992070_100000210202 [0,1,1,0,0,0|2,0,0]=4 1327 B11R1.24 CCSCc1cncc(c1)F 62a_100000210202_100000725299 [0,1,1,0,0,0|2,0,0]=4 1328 B11R1.24 CCSCc1cncc(c1)F 62a_100000725299_100000210202 [0,1,1,0,0,0|2,0,0]=4 1329 B11R1.24 CNCCc1cccc(n1)C 2230a_100011824523_200000210301 [0,1,1,0,0,0|2,0,0]=4 1330 B11R1.24 CNCCc1cccc(n1)C 34a_100011824523_200000210301 [0,1,1,0,0,0|2,0,0]=4 1331 B11R1.24 COCCc1cccc(n1)Br 34a_100010221043_200000210301 [0,1,1,0,0,0|2,0,0]=4 1332 B11R1.24 COCCc1cccc(n1)Br 7a_100010221043_200000210301 [0,1,1,0,0,0|2,0,0]=4 1333 B11R1.24 COCSc1cncc(n1)C 62a_100000754123_100000766300 [0,1,1,0,0,0|2,0,0]=4 1334 B11R1.24 COCSc1cncc(n1)C 62a_100000766300_100000754123 [0,1,1,0,0,0|2,0,0]=4 1335 B11R1.24 COCSc1cncc(n1)Cl 62a_100000766300_100010892449 [0,1,1,0,0,0|2,0,0]=4 1336 B11R1.24 COCSc1cncc(n1)Cl 62a_100010892449_100000766300 [0,1,1,0,0,0|2,0,0]=4 1337 B11R1.24 COCSc1cncc(n1)F 62a_100000766300_200009863489 [0,1,1,0,0,0|2,0,0]=4 1338 B11R1.24 COCSc1cncc(n1)F 62a_200009863489_100000766300 [0,1,1,0,0,0|2,0,0]=4 1339 B11R1.24 COCSc1cncc(n1)N 62a_100000747728_100000766300 [0,1,1,0,0,0|2,0,0]=4 1340 B11R1.24 COCSc1cncc(n1)N 62a_100000766300_100000747728 [0,1,1,0,0,0|2,0,0]=4 1341 B11R1.24 COCSc1cncc(n1)O 62a_100000766300_100011269956 [0,1,1,0,0,0|2,0,0]=4 1342 B11R1.24 CSCSc1cncc(n1)C 62a_100000754123_100011218213 [0,1,1,0,0,0|2,0,0]=4 1343 B11R1.24 CSCSc1cncc(n1)C 62a_100011218213_100000754123 [0,1,1,0,0,0|2,0,0]=4 1344 B11R1.24 CSCSc1cncc(n1)Cl 62a_100010892449_100011218213 [0,1,1,0,0,0|2,0,0]=4 1345 B11R1.24 CSCSc1cncc(n1)Cl 62a_100011218213_100010892449 [0,1,1,0,0,0|2,0,0]=4 1346 B11R1.24 CSCSc1cncc(n1)F 62a_100011218213_200009863489 [0,1,1,0,0,0|2,0,0]=4 1347 B11R1.24 CSCSc1cncc(n1)F 62a_200009863489_100011218213 [0,1,1,0,0,0|2,0,0]=4 1348 B11R1.24 CSCSc1cncc(n1)N 62a_100000747728_100011218213 [0,1,1,0,0,0|2,0,0]=4 1349 B11R1.24 CSCSc1cncc(n1)N 62a_100011218213_100000747728 [0,1,1,0,0,0|2,0,0]=4 1350 B11R1.24 CSCSc1cncc(n1)O 62a_100011218213_100011269956 [0,1,1,0,0,0|2,0,0]=4 1351 B11R1.24 Cc1cccc(n1)CCN[13CH3] 2230a_100011824523_200025704644 [0,1,1,0,0,0|2,0,0]=4 1352 B11R1.24 Cc1cccc(n1)CCN[13CH3] 34a_100011824523_200025704644 [0,1,1,0,0,0|2,0,0]=4 1353 B11R1.24 Cc1cncc(n1)NCCO 27a_100000210304_100000754123 [0,1,1,0,0,0|2,0,0]=4 1354 B11R1.24 Cc1cncc(n1)SCCF 62a_100000754123_100011217306 [0,1,1,0,0,0|2,0,0]=4 1355 B11R1.24 Cc1cncc(n1)SCCF 62a_100011217306_100000754123 [0,1,1,0,0,0|2,0,0]=4 1356 B11R1.24 Cc1cncc(n1)SCCO 62a_100000211926_100000754123 [0,1,1,0,0,0|2,0,0]=4 1357 B11R1.24 Cc1cncc(n1)SCCO 62a_100000754123_100000211926 [0,1,1,0,0,0|2,0,0]=4 1358 B11R1.24 FCCSc1cncc(n1)Cl 62a_100010892449_100011217306 [0,1,1,0,0,0|2,0,0]=4 1359 B11R1.24 FCCSc1cncc(n1)Cl 62a_100011217306_100010892449 [0,1,1,0,0,0|2,0,0]=4 1360 B11R1.24 FCCSc1cncc(n1)F 62a_100011217306_200009863489 [0,1,1,0,0,0|2,0,0]=4 1361 B11R1.24 FCCSc1cncc(n1)F 62a_200009863489_100011217306 [0,1,1,0,0,0|2,0,0]=4 1362 B11R1.24 Nc1cncc(n1)SCCF 62a_100000747728_100011217306 [0,1,1,0,0,0|2,0,0]=4 1363 B11R1.24 Nc1cncc(n1)SCCF 62a_100011217306_100000747728 [0,1,1,0,0,0|2,0,0]=4 1364 B11R1.24 Nc1cncc(n1)SCCO 62a_100000211926_100000747728 [0,1,1,0,0,0|2,0,0]=4 1365 B11R1.24 Nc1cncc(n1)SCCO 62a_100000747728_100000211926 [0,1,1,0,0,0|2,0,0]=4 1366 B11R1.24 OCCNc1cncc(n1)Cl 27a_100000210304_100010892449 [0,1,1,0,0,0|2,0,0]=4 1367 B11R1.24 OCCNc1cncc(n1)F 27a_100000210304_200009863489 [0,1,1,0,0,0|2,0,0]=4 1368 B11R1.24 OCCSc1cncc(n1)Cl 62a_100000211926_100010892449 [0,1,1,0,0,0|2,0,0]=4 1369 B11R1.24 OCCSc1cncc(n1)Cl 62a_100010892449_100000211926 [0,1,1,0,0,0|2,0,0]=4 1370 B11R1.24 OCCSc1cncc(n1)F 62a_100000211926_200009863489 [0,1,1,0,0,0|2,0,0]=4 1371 B11R1.24 OCCSc1cncc(n1)F 62a_200009863489_100000211926 [0,1,1,0,0,0|2,0,0]=4 1372 B11R1.24 OCCSc1cncc(n1)O 62a_100000211926_100011269956 [0,1,1,0,0,0|2,0,0]=4 1373 B11R1.24 Oc1cncc(n1)SCCF 62a_100011217306_100011269956 [0,1,1,0,0,0|2,0,0]=4 1374 B11R1.24 [13CH3]OCCc1cccc(n1)Br 34a_100010221043_200025704644 [0,1,1,0,0,0|2,0,0]=4 1375 B11R1.24 [13CH3]OCCc1cccc(n1)Br 7a_100010221043_200025704644 [0,1,1,0,0,0|2,0,0]=4 1376 B11R1.28 BrCCOCc1ccccn1 34a_100000211926_100000721315 [0,1,1,0,0,0|2,0,0]=4 1377 B11R1.28 BrCCOCc1cccnc1 34a_100000211926_100000733263 [0,1,1,0,0,0|2,0,0]=4 1378 B11R1.28 BrCCOCc1cnccn1 34a_100000211926_100016995436 [0,1,1,0,0,0|1,0,0]=3 1379 B11R1.28 C#CCCNc1cnccn1 27a_100000755551_100000211759 [0,1,1,0,0,0|0,0,2]=4 1380 B11R1.28 C#CCCSc1cnccn1 62a_100000211759_100000688953 [0,1,1,0,0,0|0,0,2]=4 1381 B11R1.28 C#CCCSc1cnccn1 62a_100000688953_100000211759 [0,1,1,0,0,0|0,0,2]=4 1382 B11R1.28 C#CCNCc1cnccn1 34a_100000212058_100016995436 [0,1,1,0,0,0|0,0,2]=4 1383 B11R1.28 C#CCOCc1cnccn1 34a_100000210247_100016995436 [0,1,1,0,0,0|0,0,2]=4 1384 B11R1.28 C#CCSCc1cnccn1 62a_100000038162_100016995436 [0,1,1,0,0,0|0,0,2]=4 1385 B11R1.28 C/C=C/CSc1cnccn1 62a_100000211759_100102629194 [0,1,1,0,0,0|0,0,2]=4 1386 B11R1.28 C/C=C/CSc1cnccn1 62a_100102629194_100000211759 [0,1,1,0,0,0|0,0,2]=4 1387 B11R1.28 C=CCCNc1cnccn1 27a_100015191253_100000211759 [0,1,1,0,0,0|0,0,2]=4 1388 B11R1.28 C=CCCSc1cnccn1 62a_100000211759_100000754431 [0,1,1,0,0,0|0,0,2]=4 1389 B11R1.28 C=CCCSc1cnccn1 62a_100000754431_100000211759 [0,1,1,0,0,0|0,0,2]=4 1390 B11R1.28 C=CCNCc1cnccn1 2230a_100020586998_100016995436 [0,1,1,0,0,0|0,0,2]=4 1391 B11R1.28 C=CCNCc1cnccn1 270004a_100020586998_100000749867 [0,1,1,0,0,0|0,0,2]=4 1392 B11R1.28 C=CCOCc1cnccn1 34a_200000210373_100016995436 [0,1,1,0,0,0|0,0,2]=4 1393 B11R1.28 C=CCSCc1cnccn1 62a_100000210623_100016995436 [0,1,1,0,0,0|0,0,2]=4 1394 B11R1.28 C=CCSCc1cnccn1 62a_100016995436_100000210623 [0,1,1,0,0,0|0,0,2]=4 1395 B11R1.28 CC#CCNc1cnccn1 27a_100000685387_100000211759 [0,1,1,0,0,0|0,0,2]=4 1396 B11R1.28 CC#CCSc1cnccn1 62a_100000211759_100000748600 [0,1,1,0,0,0|0,0,2]=4 1397 B11R1.28 CC#CCSc1cnccn1 62a_100000748600_100000211759 [0,1,1,0,0,0|0,0,2]=4 1398 B11R1.28 CC=CCSc1cnccn1 62a_100000070051_100000211759 [0,1,1,0,0,0|0,0,2]=4 1399 B11R1.28 CC=CCSc1cnccn1 62a_100000211759_100000070051 [0,1,1,0,0,0|0,0,2]=4 1400 B11R1.28 CCC=NNc1cnccn1 4a_100000736894_100000210100 [0,1,1,0,0,0|1,0,1]=4 1401 B11R1.28 CCCC=Cc1ccccn1 271570a_100016258520_100011216584 [0,1,1,0,0,0|1,0,1]=4 1402 B11R1.28 CCCC=Cc1cccnc1 271570a_100016258520_100000752921 [0,1,1,0,0,0|1,0,1]=4 1403 B11R1.28 CCCC=Cc1cnccn1 271570a_100016258520_100000758340 [0,1,1,0,0,0|0,0,1]=3 1404 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [0,1,1,0,0,0|2,0,0]=4 1405 B11R1.28 CCCCNc1cccnn1 27a_100000102301_100016991348 [0,1,1,0,0,0|2,0,0]=4 1406 B11R1.28 CCCCNc1ccncn1 27a_100000102301_100000703185 [0,1,1,0,0,0|2,0,0]=4 1407 B11R1.28 CCCCNc1cnccn1 27a_100000102301_100000211759 [0,1,1,0,0,0|0,0,0]=2 1408 B11R1.28 CCCCNc1ncccn1 27a_100000102301_100000211032 [0,1,1,0,0,0|2,0,0]=4 1409 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [0,1,1,0,0,0|2,0,0]=4 1410 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [0,1,1,0,0,0|2,0,0]=4 1411 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [0,1,1,0,0,0|1,0,0]=3 1412 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [0,1,1,0,0,0|1,0,0]=3 1413 B11R1.28 CCCCOc1ccnnc1 34a_100015204005_100000210210 [0,1,1,0,0,0|2,0,0]=4 1414 B11R1.28 CCCCOc1cncnc1 7a_100000754086_100000210211 [0,1,1,0,0,0|2,0,0]=4 1415 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [0,1,1,0,0,0|2,0,0]=4 1416 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [0,1,1,0,0,0|2,0,0]=4 1417 B11R1.28 CCCCSc1ccccn1 62a_100000210211_100011216584 [0,1,1,0,0,0|1,0,0]=3 1418 B11R1.28 CCCCSc1ccccn1 62a_100011216584_100000210210 [0,1,1,0,0,0|1,0,0]=3 1419 B11R1.28 CCCCSc1cccnc1 62a_100000210063_100000210210 [0,1,1,0,0,0|1,0,0]=3 1420 B11R1.28 CCCCSc1cccnc1 62a_100000210211_100000210063 [0,1,1,0,0,0|1,0,0]=3 1421 B11R1.28 CCCCSc1cccnn1 62a_100000210211_100016991348 [0,1,1,0,0,0|2,0,0]=4 1422 B11R1.28 CCCCSc1cccnn1 62a_100016991348_100000210210 [0,1,1,0,0,0|2,0,0]=4 1423 B11R1.28 CCCCSc1ccncn1 62a_100000210211_100000703185 [0,1,1,0,0,0|2,0,0]=4 1424 B11R1.28 CCCCSc1ccncn1 62a_100000703185_100000210210 [0,1,1,0,0,0|2,0,0]=4 1425 B11R1.28 CCCCSc1ccnnc1 62a_100000210211_100000732662 [0,1,1,0,0,0|2,0,0]=4 1426 B11R1.28 CCCCSc1ccnnc1 62a_100000732662_100000210210 [0,1,1,0,0,0|2,0,0]=4 1427 B11R1.28 CCCCSc1cnccn1 62a_100000210211_100000211759 [0,1,1,0,0,0|0,0,0]=2 1428 B11R1.28 CCCCSc1cnccn1 62a_100000211759_100000210210 [0,1,1,0,0,0|0,0,0]=2 1429 B11R1.28 CCCCSc1cncnc1 62a_100000210211_100011206942 [0,1,1,0,0,0|2,0,0]=4 1430 B11R1.28 CCCCSc1cncnc1 62a_100011206942_100000210210 [0,1,1,0,0,0|2,0,0]=4 1431 B11R1.28 CCCCSc1ncccn1 62a_100000210211_100000211032 [0,1,1,0,0,0|2,0,0]=4 1432 B11R1.28 CCCCSc1ncccn1 62a_100000211032_100000210210 [0,1,1,0,0,0|2,0,0]=4 1433 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [0,1,1,0,0,0|2,0,0]=4 1434 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [0,1,1,0,0,0|2,0,0]=4 1435 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [0,1,1,0,0,0|2,0,0]=4 1436 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [0,1,1,0,0,0|2,0,0]=4 1437 B11R1.28 CCCNCc1ccccn1 207a_100020643023_100000209966 [0,1,1,0,0,0|1,0,0]=3 1438 B11R1.28 CCCNCc1ccccn1 270004a_100020643023_100000209966 [0,1,1,0,0,0|1,0,0]=3 1439 B11R1.28 CCCNCc1cccnc1 207a_100020643023_100000209961 [0,1,1,0,0,0|1,0,0]=3 1440 B11R1.28 CCCNCc1cccnc1 270004a_100020643023_100000209961 [0,1,1,0,0,0|1,0,0]=3 1441 B11R1.28 CCCNCc1cccnn1 2230a_100159270163_100000210303 [0,1,1,0,0,0|2,0,0]=4 1442 B11R1.28 CCCNCc1ccnnc1 270004a_100020643023_100011934578 [0,1,1,0,0,0|2,0,0]=4 1443 B11R1.28 CCCNCc1cnccn1 270004a_100020643023_100000749867 [0,1,1,0,0,0|0,0,0]=2 1444 B11R1.28 CCCNCc1cncnc1 2230a_100011243677_100000210303 [0,1,1,0,0,0|2,0,0]=4 1445 B11R1.28 CCCNCc1cncnc1 270004a_100020643023_100000749868 [0,1,1,0,0,0|2,0,0]=4 1446 B11R1.28 CCCNCc1ncccn1 270004a_100020643023_100011532527 [0,1,1,0,0,0|2,0,0]=4 1447 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [0,1,1,0,0,0|2,0,0]=4 1448 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [0,1,1,0,0,0|2,0,0]=4 1449 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [0,1,1,0,0,0|2,0,0]=4 1450 B11R1.28 CCCOCc1ccccn1 34a_100000210258_100000721315 [0,1,1,0,0,0|1,0,0]=3 1451 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [0,1,1,0,0,0|1,0,0]=3 1452 B11R1.28 CCCOCc1cccnn1 34a_100000210258_100016990269 [0,1,1,0,0,0|2,0,0]=4 1453 B11R1.28 CCCOCc1cnccn1 34a_100000210258_100016995436 [0,1,1,0,0,0|0,0,0]=2 1454 B11R1.28 CCCOCc1cncnc1 34a_100000210258_100015196519 [0,1,1,0,0,0|2,0,0]=4 1455 B11R1.28 CCCOCc1ncccn1 34a_100000210258_100000703007 [0,1,1,0,0,0|2,0,0]=4 1456 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [0,1,1,0,0,0|2,0,0]=4 1457 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [0,1,1,0,0,0|2,0,0]=4 1458 B11R1.28 CCCSCc1ccccn1 62a_100000210303_100000721315 [0,1,1,0,0,0|1,0,0]=3 1459 B11R1.28 CCCSCc1ccccn1 62a_100000721315_100000210303 [0,1,1,0,0,0|1,0,0]=3 1460 B11R1.28 CCCSCc1cccnc1 62a_100000210303_100000741622 [0,1,1,0,0,0|1,0,0]=3 1461 B11R1.28 CCCSCc1cccnc1 62a_100000741622_100000210303 [0,1,1,0,0,0|1,0,0]=3 1462 B11R1.28 CCCSCc1cccnn1 62a_100000210303_100016990269 [0,1,1,0,0,0|2,0,0]=4 1463 B11R1.28 CCCSCc1cccnn1 62a_100016990269_100000210303 [0,1,1,0,0,0|2,0,0]=4 1464 B11R1.28 CCCSCc1cnccn1 62a_100000210303_100016995436 [0,1,1,0,0,0|0,0,0]=2 1465 B11R1.28 CCCSCc1cnccn1 62a_100016995436_100000210303 [0,1,1,0,0,0|0,0,0]=2 1466 B11R1.28 CCCSCc1cncnc1 62a_100000210303_100015196519 [0,1,1,0,0,0|2,0,0]=4 1467 B11R1.28 CCCSCc1cncnc1 62a_100015196519_100000210303 [0,1,1,0,0,0|2,0,0]=4 1468 B11R1.28 CCCSCc1ncccn1 62a_100000210303_100000703007 [0,1,1,0,0,0|2,0,0]=4 1469 B11R1.28 CCCSCc1ncccn1 62a_100000703007_100000210303 [0,1,1,0,0,0|2,0,0]=4 1470 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [0,1,1,0,0,0|2,0,0]=4 1471 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [0,1,1,0,0,0|2,0,0]=4 1472 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [0,1,1,0,0,0|2,0,0]=4 1473 B11R1.28 CCNCCc1ccccn1 2230a_100015525214_100015183660 [0,1,1,0,0,0|1,0,0]=3 1474 B11R1.28 CCNCCc1cccnc1 2230a_100000736294_100000210202 [0,1,1,0,0,0|1,0,0]=3 1475 B11R1.28 CCNCCc1cccnc1 2230a_100015525214_200011713674 [0,1,1,0,0,0|1,0,0]=3 1476 B11R1.28 CCNN=Cc1cnccn1 4a_100000756455_100000749867 [0,1,1,0,0,0|1,0,1]=4 1477 B11R1.28 CCOC=Cc1cnccn1 271570a_100016256518_100000758340 [0,1,1,0,0,0|0,0,2]=4 1478 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [0,1,1,0,0,0|2,0,0]=4 1479 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [0,1,1,0,0,0|2,0,0]=4 1480 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [0,1,1,0,0,0|2,0,0]=4 1481 B11R1.28 CCOCCc1ccccn1 34a_100000210271_100000210202 [0,1,1,0,0,0|1,0,0]=3 1482 B11R1.28 CCOCCc1cccnc1 34a_100011217484_100000210202 [0,1,1,0,0,0|1,0,0]=3 1483 B11R1.28 CCOCCc1cnccn1 34a_100011349526_100000210202 [0,1,1,0,0,0|0,0,0]=2 1484 B11R1.28 CCOCCc1cncnc1 34a_100011709255_100000210202 [0,1,1,0,0,0|2,0,0]=4 1485 B11R1.28 CCOCSc1ccccn1 62a_100000739092_100011216584 [0,1,1,0,0,0|2,0,0]=4 1486 B11R1.28 CCOCSc1ccccn1 62a_100011216584_100000739092 [0,1,1,0,0,0|2,0,0]=4 1487 B11R1.28 CCOCSc1cccnc1 62a_100000210063_100000739092 [0,1,1,0,0,0|2,0,0]=4 1488 B11R1.28 CCOCSc1cccnc1 62a_100000739092_100000210063 [0,1,1,0,0,0|2,0,0]=4 1489 B11R1.28 CCOCSc1cnccn1 62a_100000211759_100000739092 [0,1,1,0,0,0|1,0,0]=3 1490 B11R1.28 CCOCSc1cnccn1 62a_100000739092_100000211759 [0,1,1,0,0,0|1,0,0]=3 1491 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [0,1,1,0,0,0|2,0,0]=4 1492 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [0,1,1,0,0,0|2,0,0]=4 1493 B11R1.28 CCSCCc1ccccn1 62a_100000210202_100015183660 [0,1,1,0,0,0|1,0,0]=3 1494 B11R1.28 CCSCCc1ccccn1 62a_100015183660_100000210202 [0,1,1,0,0,0|1,0,0]=3 1495 B11R1.28 CCSCCc1cccnc1 62a_100000210202_200011713674 [0,1,1,0,0,0|1,0,0]=3 1496 B11R1.28 CCSCCc1cccnc1 62a_200011713674_100000210202 [0,1,1,0,0,0|1,0,0]=3 1497 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [0,1,1,0,0,0|2,0,0]=4 1498 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [0,1,1,0,0,0|2,0,0]=4 1499 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [0,1,1,0,0,0|2,0,0]=4 1500 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [0,1,1,0,0,0|2,0,0]=4 1501 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [0,1,1,0,0,0|2,0,0]=4 1502 B11R1.28 CNCCCc1cccnc1 2230a_100011532358_200000210301 [0,1,1,0,0,0|1,0,0]=3 1503 B11R1.28 CNCCCc1cccnc1 34a_100011532358_200000210301 [0,1,1,0,0,0|1,0,0]=3 1504 B11R1.28 CNCCOc1ccccn1 2230a_106741647558_200000210301 [0,1,1,0,0,0|2,0,0]=4 1505 B11R1.28 CNCCOc1cccnc1 2230a_100000754688_200000210301 [0,1,1,0,0,0|2,0,0]=4 1506 B11R1.28 COCC=Cc1cnccn1 271570a_100016286323_100000758340 [0,1,1,0,0,0|0,0,2]=4 1507 B11R1.28 COCCCC1=CCC=CC1 34a_100020667889_200000210301 [0,1,1,0,0,0|2,0,0]=4 1508 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [0,1,1,0,0,0|2,0,0]=4 1509 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [0,1,1,0,0,0|2,0,0]=4 1510 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [0,1,1,0,0,0|2,0,0]=4 1511 B11R1.28 COCCCc1ccccn1 34a_100011215068_200000210301 [0,1,1,0,0,0|1,0,0]=3 1512 B11R1.28 COCCCc1cccnc1 34a_100000211284_200000210301 [0,1,1,0,0,0|1,0,0]=3 1513 B11R1.28 COCCNc1cnccn1 27a_100000209980_100000211759 [0,1,1,0,0,0|1,0,0]=3 1514 B11R1.28 COCCOc1cccnc1 34a_100000210849_100011201679 [0,1,1,0,0,0|2,0,0]=4 1515 B11R1.28 COCCOc1cccnc1 7a_100000210849_100000233755 [0,1,1,0,0,0|2,0,0]=4 1516 B11R1.28 COCCSc1ccccn1 62a_100000233755_100011216584 [0,1,1,0,0,0|2,0,0]=4 1517 B11R1.28 COCCSc1ccccn1 62a_100011216584_100000233755 [0,1,1,0,0,0|2,0,0]=4 1518 B11R1.28 COCCSc1ccccn1 7a_100000156319_200000210301 [0,1,1,0,0,0|2,0,0]=4 1519 B11R1.28 COCCSc1cccnc1 62a_100000210063_100000233755 [0,1,1,0,0,0|2,0,0]=4 1520 B11R1.28 COCCSc1cccnc1 62a_100000233755_100000210063 [0,1,1,0,0,0|2,0,0]=4 1521 B11R1.28 COCCSc1cnccn1 62a_100000211759_100000233755 [0,1,1,0,0,0|1,0,0]=3 1522 B11R1.28 COCCSc1cnccn1 62a_100000233755_100000211759 [0,1,1,0,0,0|1,0,0]=3 1523 B11R1.28 COCSCc1ccccn1 62a_100000721315_100000766300 [0,1,1,0,0,0|2,0,0]=4 1524 B11R1.28 COCSCc1ccccn1 62a_100000766300_100000721315 [0,1,1,0,0,0|2,0,0]=4 1525 B11R1.28 COCSCc1cccnc1 62a_100000741622_100000766300 [0,1,1,0,0,0|2,0,0]=4 1526 B11R1.28 COCSCc1cccnc1 62a_100000766300_100000741622 [0,1,1,0,0,0|2,0,0]=4 1527 B11R1.28 COCSCc1cnccn1 62a_100000766300_100016995436 [0,1,1,0,0,0|1,0,0]=3 1528 B11R1.28 COCSCc1cnccn1 62a_100016995436_100000766300 [0,1,1,0,0,0|1,0,0]=3 1529 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [0,1,1,0,0,0|2,0,0]=4 1530 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [0,1,1,0,0,0|2,0,0]=4 1531 B11R1.28 CSCCNc1cnccn1 27a_100020590264_100000211759 [0,1,1,0,0,0|1,0,0]=3 1532 B11R1.28 CSCCOc1cccnc1 34a_100000210849_100000212216 [0,1,1,0,0,0|2,0,0]=4 1533 B11R1.28 CSCCOc1cccnc1 7a_100000210849_100000212216 [0,1,1,0,0,0|2,0,0]=4 1534 B11R1.28 CSCCSc1ccccn1 62a_100000212216_100011216584 [0,1,1,0,0,0|2,0,0]=4 1535 B11R1.28 CSCCSc1ccccn1 62a_100011216584_100000751147 [0,1,1,0,0,0|2,0,0]=4 1536 B11R1.28 CSCCSc1cccnc1 62a_100000210063_100000751147 [0,1,1,0,0,0|2,0,0]=4 1537 B11R1.28 CSCCSc1cccnc1 62a_100000212216_100000210063 [0,1,1,0,0,0|2,0,0]=4 1538 B11R1.28 CSCCSc1cnccn1 62a_100000211759_100000751147 [0,1,1,0,0,0|1,0,0]=3 1539 B11R1.28 CSCCSc1cnccn1 62a_100000212216_100000211759 [0,1,1,0,0,0|1,0,0]=3 1540 B11R1.28 CSCSCc1ccccn1 62a_100000721315_100011218213 [0,1,1,0,0,0|2,0,0]=4 1541 B11R1.28 CSCSCc1ccccn1 62a_100011218213_100000721315 [0,1,1,0,0,0|2,0,0]=4 1542 B11R1.28 CSCSCc1cccnc1 62a_100000741622_100011218213 [0,1,1,0,0,0|2,0,0]=4 1543 B11R1.28 CSCSCc1cccnc1 62a_100011218213_100000741622 [0,1,1,0,0,0|2,0,0]=4 1544 B11R1.28 CSCSCc1cnccn1 62a_100011218213_100016995436 [0,1,1,0,0,0|1,0,0]=3 1545 B11R1.28 CSCSCc1cnccn1 62a_100016995436_100011218213 [0,1,1,0,0,0|1,0,0]=3 1546 B11R1.28 FCCCNc1cnccn1 27a_100015189416_100000211759 [0,1,1,0,0,0|1,0,0]=3 1547 B11R1.28 FCCCOc1cccnc1 34a_100000210849_100011934791 [0,1,1,0,0,0|2,0,0]=4 1548 B11R1.28 FCCCOc1cccnc1 7a_100000210849_100011934791 [0,1,1,0,0,0|2,0,0]=4 1549 B11R1.28 FCCCSc1ccccn1 62a_100011216584_100011934791 [0,1,1,0,0,0|2,0,0]=4 1550 B11R1.28 FCCCSc1ccccn1 62a_100011934791_100011216584 [0,1,1,0,0,0|2,0,0]=4 1551 B11R1.28 FCCCSc1cccnc1 62a_100000210063_100011934791 [0,1,1,0,0,0|2,0,0]=4 1552 B11R1.28 FCCCSc1cccnc1 62a_100011934791_100000210063 [0,1,1,0,0,0|2,0,0]=4 1553 B11R1.28 FCCCSc1cnccn1 62a_100000211759_100011934791 [0,1,1,0,0,0|1,0,0]=3 1554 B11R1.28 FCCCSc1cnccn1 62a_100011934791_100000211759 [0,1,1,0,0,0|1,0,0]=3 1555 B11R1.28 FCCNCc1ccccn1 34a_100000724931_100000721315 [0,1,1,0,0,0|2,0,0]=4 1556 B11R1.28 FCCNCc1cccnc1 34a_100000724931_100000733263 [0,1,1,0,0,0|2,0,0]=4 1557 B11R1.28 FCCNCc1cnccn1 34a_100000724931_100016995436 [0,1,1,0,0,0|1,0,0]=3 1558 B11R1.28 FCCSCc1ccccn1 62a_100000721315_100011217306 [0,1,1,0,0,0|2,0,0]=4 1559 B11R1.28 FCCSCc1ccccn1 62a_100011217306_100000721315 [0,1,1,0,0,0|2,0,0]=4 1560 B11R1.28 FCCSCc1cccnc1 62a_100000741622_100011217306 [0,1,1,0,0,0|2,0,0]=4 1561 B11R1.28 FCCSCc1cccnc1 62a_100011217306_100000741622 [0,1,1,0,0,0|2,0,0]=4 1562 B11R1.28 FCCSCc1cnccn1 62a_100011217306_100016995436 [0,1,1,0,0,0|1,0,0]=3 1563 B11R1.28 FCCSCc1cnccn1 62a_100016995436_100011217306 [0,1,1,0,0,0|1,0,0]=3 1564 B11R1.28 FCOCCc1ccccn1 34a_100000210271_100015361967 [0,1,1,0,0,0|2,0,0]=4 1565 B11R1.28 FCOCCc1cccnc1 34a_100011217484_100015361967 [0,1,1,0,0,0|2,0,0]=4 1566 B11R1.28 FCOCCc1cnccn1 34a_100011349526_100015361967 [0,1,1,0,0,0|1,0,0]=3 1567 B11R1.28 FCSCCc1ccccn1 62a_100015183660_100015361967 [0,1,1,0,0,0|2,0,0]=4 1568 B11R1.28 FCSCCc1ccccn1 62a_100015361967_100015183660 [0,1,1,0,0,0|2,0,0]=4 1569 B11R1.28 FCSCCc1cccnc1 62a_100015361967_200011713674 [0,1,1,0,0,0|2,0,0]=4 1570 B11R1.28 FCSCCc1cccnc1 62a_200011713674_100015361967 [0,1,1,0,0,0|2,0,0]=4 1571 B11R1.28 N#CCCNc1cnccn1 27a_100000720768_100000211759 [0,1,1,0,0,0|1,0,1]=4 1572 B11R1.28 N#CCCSc1cnccn1 62a_100000211759_100011215226 [0,1,1,0,0,0|1,0,1]=4 1573 B11R1.28 N#CCCSc1cnccn1 62a_100011215226_100000211759 [0,1,1,0,0,0|1,0,1]=4 1574 B11R1.28 N#CCSCc1cnccn1 62a_100011215382_100016995436 [0,1,1,0,0,0|1,0,1]=4 1575 B11R1.28 N#CCSCc1cnccn1 62a_100016995436_100011215382 [0,1,1,0,0,0|1,0,1]=4 1576 B11R1.28 NCCOCc1ccccn1 34a_100000210304_100000721315 [0,1,1,0,0,0|2,0,0]=4 1577 B11R1.28 NCCOCc1cccnc1 34a_100000210304_100000733263 [0,1,1,0,0,0|2,0,0]=4 1578 B11R1.28 NCCOCc1cnccn1 34a_100000210304_100016995436 [0,1,1,0,0,0|1,0,0]=3 1579 B11R1.28 O=CCSCc1cnccn1 62a_100016995436_200015260668 [0,1,1,0,0,0|1,0,1]=4 1580 B11R1.28 O=CCSCc1cnccn1 62a_200015260668_100016995436 [0,1,1,0,0,0|1,0,1]=4 1581 B11R1.28 OCCCNc1cnccn1 27a_100000182051_100000211759 [0,1,1,0,0,0|1,0,0]=3 1582 B11R1.28 OCCCOc1cccnc1 34a_100000210849_100000230001 [0,1,1,0,0,0|2,0,0]=4 1583 B11R1.28 OCCCOc1cccnc1 7a_100000210849_100011215043 [0,1,1,0,0,0|2,0,0]=4 1584 B11R1.28 OCCCSc1ccccn1 62a_100011215043_100011216584 [0,1,1,0,0,0|2,0,0]=4 1585 B11R1.28 OCCCSc1ccccn1 62a_100011216584_100011215043 [0,1,1,0,0,0|2,0,0]=4 1586 B11R1.28 OCCCSc1cccnc1 62a_100000210063_100011215043 [0,1,1,0,0,0|2,0,0]=4 1587 B11R1.28 OCCCSc1cccnc1 62a_100011215043_100000210063 [0,1,1,0,0,0|2,0,0]=4 1588 B11R1.28 OCCCSc1cnccn1 62a_100000211759_100011215043 [0,1,1,0,0,0|1,0,0]=3 1589 B11R1.28 OCCCSc1cnccn1 62a_100011215043_100000211759 [0,1,1,0,0,0|1,0,0]=3 1590 B11R1.28 OCCNCc1ccccn1 207a_100000210304_100000209966 [0,1,1,0,0,0|2,0,0]=4 1591 B11R1.28 OCCNCc1ccccn1 2230a_100016997473_100000721315 [0,1,1,0,0,0|2,0,0]=4 1592 B11R1.28 OCCNCc1ccccn1 270004a_100000210304_100000209966 [0,1,1,0,0,0|2,0,0]=4 1593 B11R1.28 OCCNCc1ccccn1 34a_100016990907_100000721315 [0,1,1,0,0,0|2,0,0]=4 1594 B11R1.28 OCCNCc1cccnc1 207a_100000210304_100000209961 [0,1,1,0,0,0|2,0,0]=4 1595 B11R1.28 OCCNCc1cccnc1 2230a_100016997473_100000741622 [0,1,1,0,0,0|2,0,0]=4 1596 B11R1.28 OCCNCc1cccnc1 270004a_100000210304_100000209961 [0,1,1,0,0,0|2,0,0]=4 1597 B11R1.28 OCCNCc1cccnc1 34a_100016990907_100000733263 [0,1,1,0,0,0|2,0,0]=4 1598 B11R1.28 OCCNCc1cnccn1 2230a_100016997473_100016995436 [0,1,1,0,0,0|1,0,0]=3 1599 B11R1.28 OCCNCc1cnccn1 270004a_100000210304_100000749867 [0,1,1,0,0,0|1,0,0]=3 1600 B11R1.28 OCCNCc1cnccn1 34a_100016990907_100016995436 [0,1,1,0,0,0|1,0,0]=3 1601 B11R1.28 OCCSCc1ccccn1 62a_100000211926_100000721315 [0,1,1,0,0,0|2,0,0]=4 1602 B11R1.28 OCCSCc1ccccn1 62a_100000721315_100000211926 [0,1,1,0,0,0|2,0,0]=4 1603 B11R1.28 OCCSCc1cccnc1 62a_100000211926_100000741622 [0,1,1,0,0,0|2,0,0]=4 1604 B11R1.28 OCCSCc1cccnc1 62a_100000741622_100000211926 [0,1,1,0,0,0|2,0,0]=4 1605 B11R1.28 OCCSCc1cnccn1 62a_100000211926_100016995436 [0,1,1,0,0,0|1,0,0]=3 1606 B11R1.28 OCCSCc1cnccn1 62a_100016995436_100000211926 [0,1,1,0,0,0|1,0,0]=3 1607 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [0,1,1,0,0,0|2,0,0]=4 1608 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [0,1,1,0,0,0|2,0,0]=4 1609 B11R1.28 [13CH3]NCCCc1cccnc1 2230a_100011532358_200025704644 [0,1,1,0,0,0|1,0,0]=3 1610 B11R1.28 [13CH3]NCCCc1cccnc1 34a_100011532358_200025704644 [0,1,1,0,0,0|1,0,0]=3 1611 B11R1.28 [13CH3]NCCOc1ccccn1 2230a_106741647558_200025704644 [0,1,1,0,0,0|2,0,0]=4 1612 B11R1.28 [13CH3]NCCOc1cccnc1 2230a_100000754688_200025704644 [0,1,1,0,0,0|2,0,0]=4 1613 B11R1.28 [13CH3]OCCCC1=CCC=CC1 34a_100020667889_200025704644 [0,1,1,0,0,0|2,0,0]=4 1614 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [0,1,1,0,0,0|2,0,0]=4 1615 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [0,1,1,0,0,0|2,0,0]=4 1616 B11R1.28 [13CH3]OCCCc1ccccn1 34a_100011215068_200025704644 [0,1,1,0,0,0|1,0,0]=3 1617 B11R1.28 [13CH3]OCCCc1cccnc1 34a_100000211284_200025704644 [0,1,1,0,0,0|1,0,0]=3 1618 B11R1.28 [13CH3]OCCSc1ccccn1 7a_100000156319_200025704644 [0,1,1,0,0,0|2,0,0]=4 1619 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [0,1,1,0,0,0|2,0,0]=4 1620 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [0,1,1,0,0,0|2,0,0]=4 1621 B11R1.40 CC(CO)Sc1cnccn1 62a_100012180447_100000211759 [0,1,1,0,0,0|2,0,0]=4 1622 B11R1.40 CC(Cc1ccccn1)N[13CH3] 2230a_100000238496_200025704644 [0,1,1,0,0,0|2,0,0]=4 1623 B11R1.40 CC(Cc1cccnc1)N[13CH3] 2230a_100011207255_200025704644 [0,1,1,0,0,0|2,0,0]=4 1624 B11R1.40 CC(Cc1cnccn1)N[13CH3] 2230a_100011277835_200025704644 [0,1,1,0,0,0|1,0,0]=3 1625 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,1,1,0,0,0|1,0,1]=4 1626 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,1,1,0,0,0|1,0,1]=4 1627 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [0,1,1,0,0,0|1,0,1]=4 1628 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [0,1,1,0,0,0|1,0,1]=4 1629 B11R1.40 CCC(=O)Cc1cnccn1 1458a_100000210414_100016995436 [0,1,1,0,0,0|0,0,1]=3 1630 B11R1.40 CCC(C)Oc1cccnc1 34a_100000210849_100011215416 [0,1,1,0,0,0|2,0,0]=4 1631 B11R1.40 CCC(C)Oc1cccnc1 7a_100000210849_100000758301 [0,1,1,0,0,0|2,0,0]=4 1632 B11R1.40 CCC(C)Sc1ccccn1 62a_100000758301_100011216584 [0,1,1,0,0,0|2,0,0]=4 1633 B11R1.40 CCC(C)Sc1ccccn1 62a_100011216584_100000758301 [0,1,1,0,0,0|2,0,0]=4 1634 B11R1.40 CCC(C)Sc1cccnc1 62a_100000210063_100000758301 [0,1,1,0,0,0|2,0,0]=4 1635 B11R1.40 CCC(C)Sc1cccnc1 62a_100000758301_100000210063 [0,1,1,0,0,0|2,0,0]=4 1636 B11R1.40 CCC(C)Sc1cnccn1 62a_100000211759_100000758301 [0,1,1,0,0,0|1,0,0]=3 1637 B11R1.40 CCC(C)Sc1cnccn1 62a_100000758301_100000211759 [0,1,1,0,0,0|1,0,0]=3 1638 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000201164_200000210301 [0,1,1,0,0,0|2,0,0]=4 1639 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000207498_100000210202 [0,1,1,0,0,0|2,0,0]=4 1640 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000225621_100000721315 [0,1,1,0,0,0|2,0,0]=4 1641 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000201164_200000210301 [0,1,1,0,0,0|2,0,0]=4 1642 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000207498_100000204670 [0,1,1,0,0,0|2,0,0]=4 1643 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000225621_100000721315 [0,1,1,0,0,0|2,0,0]=4 1644 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000184577_100000210202 [0,1,1,0,0,0|2,0,0]=4 1645 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000186920_200000210301 [0,1,1,0,0,0|2,0,0]=4 1646 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000225621_100000741622 [0,1,1,0,0,0|2,0,0]=4 1647 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000184577_100000204670 [0,1,1,0,0,0|2,0,0]=4 1648 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000186920_200000210301 [0,1,1,0,0,0|2,0,0]=4 1649 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000225621_100000733263 [0,1,1,0,0,0|2,0,0]=4 1650 B11R1.40 CCN(C)Cc1cnccn1 2230a_100000225621_100016995436 [0,1,1,0,0,0|1,0,0]=3 1651 B11R1.40 CCN(C)Cc1cnccn1 2230a_100011269079_100000210202 [0,1,1,0,0,0|1,0,0]=3 1652 B11R1.40 CCN(C)Cc1cnccn1 269982a_100000225621_100016995436 [0,1,1,0,0,0|1,0,0]=3 1653 B11R1.40 CCN(C)Cc1cnccn1 269982a_100011269079_100000204670 [0,1,1,0,0,0|1,0,0]=3 1654 B11R1.40 CCN([13CH3])Cc1ccccn1 2230a_100000201164_200025704644 [0,1,1,0,0,0|2,0,0]=4 1655 B11R1.40 CCN([13CH3])Cc1ccccn1 269982a_100000201164_200025704644 [0,1,1,0,0,0|2,0,0]=4 1656 B11R1.40 CCN([13CH3])Cc1cccnc1 2230a_100000186920_200025704644 [0,1,1,0,0,0|2,0,0]=4 1657 B11R1.40 CCN([13CH3])Cc1cccnc1 269982a_100000186920_200025704644 [0,1,1,0,0,0|2,0,0]=4 1658 B11R1.40 CN(CF)Cc1cnccn1 269982a_100011269079_100015361967 [0,1,1,0,0,0|2,0,0]=4 1659 B11R1.40 CNC(=O)Cc1cnccn1 11a_106832991635_100000726051 [0,1,1,0,0,0|1,0,1]=4 1660 B11R1.40 CNC(=O)Cc1cnccn1 240690a_100102657272_100000726051 [0,1,1,0,0,0|1,0,1]=4 1661 B11R1.40 CNC(=O)Cc1cnccn1 527a_100102657272_100000726051 [0,1,1,0,0,0|1,0,1]=4 1662 B11R1.40 CNC(C)Cc1ccccn1 2230a_100000238496_200000210301 [0,1,1,0,0,0|2,0,0]=4 1663 B11R1.40 CNC(C)Cc1cccnc1 2230a_100011207255_200000210301 [0,1,1,0,0,0|2,0,0]=4 1664 B11R1.40 CNC(C)Cc1cccnc1 270004a_106832991635_100015187140 [0,1,1,0,0,0|2,0,0]=4 1665 B11R1.40 CNC(C)Cc1cnccn1 2230a_100011277835_200000210301 [0,1,1,0,0,0|1,0,0]=3 1666 B11R1.40 CNC(C)Cc1cnccn1 270004a_106832991635_100015184882 [0,1,1,0,0,0|1,0,0]=3 1667 B11R1.40 COC(C)Sc1cnccn1 62a_100000211759_100009879195 [0,1,1,0,0,0|2,0,0]=4 1668 B11R1.40 COC(C)Sc1cnccn1 62a_100009879195_100000211759 [0,1,1,0,0,0|2,0,0]=4 1669 B11R1.40 C[C@H](CF)Nc1cnccn1 27a_100102880703_100000211759 [0,1,1,0,0,0|2,0,0]=4 1670 B11R1.40 C[C@H](CO)Nc1cnccn1 27a_100000737577_100000211759 [0,1,1,0,0,0|2,0,0]=4 1671 B11R1.40 C[C@H](CO)Sc1cnccn1 62a_100000211759_100016084084 [0,1,1,0,0,0|2,0,0]=4 1672 B11R1.40 C[C@H](CO)Sc1cnccn1 62a_100016084084_100000211759 [0,1,1,0,0,0|2,0,0]=4 1673 B11R1.40 O=C(CO)Cc1cnccn1 1458a_100000210174_100016995436 [0,1,1,0,0,0|1,0,1]=4 1674 B11R1.91 C=C(C)CNc1cnccn1 27a_100000765925_100000211759 [0,1,1,0,0,0|1,0,1]=4 1675 B11R1.91 C=C(C)CSc1cnccn1 62a_100000211759_100000211660 [0,1,1,0,0,0|1,0,1]=4 1676 B11R1.91 C=C(C)CSc1cnccn1 62a_100000748629_100000211759 [0,1,1,0,0,0|1,0,1]=4 1677 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,1,1,0,0,0|1,0,1]=4 1678 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,1,1,0,0,0|1,0,1]=4 1679 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,1,1,0,0,0|1,0,1]=4 1680 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,1,1,0,0,0|1,0,1]=4 1681 B11R1.91 CC(=O)NCc1cnccn1 11a_100000737960_100015343762 [0,1,1,0,0,0|1,0,1]=4 1682 B11R1.91 CC(=O)NCc1cnccn1 240690a_100000737960_100015343762 [0,1,1,0,0,0|1,0,1]=4 1683 B11R1.91 CC(=O)NCc1cnccn1 527a_100000737960_100103153847 [0,1,1,0,0,0|1,0,1]=4 1684 B11R1.91 CC(C)C=Cc1cnccn1 271570a_100016257149_100000758340 [0,1,1,0,0,0|0,0,2]=4 1685 B11R1.91 CC(C)CNc1cnccn1 27a_100000210953_100000211759 [0,1,1,0,0,0|1,0,0]=3 1686 B11R1.91 CC(C)COc1cccnc1 34a_100000210849_100000210624 [0,1,1,0,0,0|2,0,0]=4 1687 B11R1.91 CC(C)COc1cccnc1 7a_100000210849_100000210760 [0,1,1,0,0,0|2,0,0]=4 1688 B11R1.91 CC(C)CSc1ccccn1 62a_100000210624_100011216584 [0,1,1,0,0,0|2,0,0]=4 1689 B11R1.91 CC(C)CSc1ccccn1 62a_100011216584_100000210760 [0,1,1,0,0,0|2,0,0]=4 1690 B11R1.91 CC(C)CSc1cccnc1 62a_100000210063_100000210760 [0,1,1,0,0,0|2,0,0]=4 1691 B11R1.91 CC(C)CSc1cccnc1 62a_100000210624_100000210063 [0,1,1,0,0,0|2,0,0]=4 1692 B11R1.91 CC(C)CSc1cnccn1 62a_100000210624_100000211759 [0,1,1,0,0,0|1,0,0]=3 1693 B11R1.91 CC(C)CSc1cnccn1 62a_100000211759_100000210760 [0,1,1,0,0,0|1,0,0]=3 1694 B11R1.91 CC(C)NCc1ccccn1 207a_100138425928_100000209966 [0,1,1,0,0,0|2,0,0]=4 1695 B11R1.91 CC(C)NCc1ccccn1 2230a_100138425928_100000721315 [0,1,1,0,0,0|2,0,0]=4 1696 B11R1.91 CC(C)NCc1ccccn1 34a_100138425928_100000721315 [0,1,1,0,0,0|2,0,0]=4 1697 B11R1.91 CC(C)NCc1cccnc1 207a_100138425928_100000209961 [0,1,1,0,0,0|2,0,0]=4 1698 B11R1.91 CC(C)NCc1cccnc1 2230a_100138425928_100000741622 [0,1,1,0,0,0|2,0,0]=4 1699 B11R1.91 CC(C)NCc1cccnc1 34a_100138425928_100000733263 [0,1,1,0,0,0|2,0,0]=4 1700 B11R1.91 CC(C)NCc1cnccn1 2230a_100138425928_100016995436 [0,1,1,0,0,0|1,0,0]=3 1701 B11R1.91 CC(C)NCc1cnccn1 34a_100138425928_100016995436 [0,1,1,0,0,0|1,0,0]=3 1702 B11R1.91 CC(C)OCc1ccccn1 34a_100000212225_100000721315 [0,1,1,0,0,0|2,0,0]=4 1703 B11R1.91 CC(C)OCc1cccnc1 34a_100000212225_100000733263 [0,1,1,0,0,0|2,0,0]=4 1704 B11R1.91 CC(C)OCc1cnccn1 34a_100000212225_100016995436 [0,1,1,0,0,0|1,0,0]=3 1705 B11R1.91 CC(C)SCc1ccccn1 62a_100000210206_100000721315 [0,1,1,0,0,0|2,0,0]=4 1706 B11R1.91 CC(C)SCc1ccccn1 62a_100000721315_100000210206 [0,1,1,0,0,0|2,0,0]=4 1707 B11R1.91 CC(C)SCc1cccnc1 62a_100000210206_100000741622 [0,1,1,0,0,0|2,0,0]=4 1708 B11R1.91 CC(C)SCc1cccnc1 62a_100000741622_100000210206 [0,1,1,0,0,0|2,0,0]=4 1709 B11R1.91 CC(C)SCc1cnccn1 62a_100000210206_100016995436 [0,1,1,0,0,0|1,0,0]=3 1710 B11R1.91 CC(C)SCc1cnccn1 62a_100016995436_100000210206 [0,1,1,0,0,0|1,0,0]=3 1711 B11R1.91 CC(O)C=Cc1cnccn1 271570a_200011019289_100000758340 [0,1,1,0,0,0|0,0,2]=4 1712 B11R1.91 CC(O)CNc1cnccn1 27a_100000210904_100000211759 [0,1,1,0,0,0|1,0,0]=3 1713 B11R1.91 CC(O)COc1cccnc1 34a_100000210849_100011218427 [0,1,1,0,0,0|2,0,0]=4 1714 B11R1.91 CC(O)COc1cccnc1 7a_100000210849_100011218427 [0,1,1,0,0,0|2,0,0]=4 1715 B11R1.91 CC(O)CSc1ccccn1 62a_100011216584_100011218427 [0,1,1,0,0,0|2,0,0]=4 1716 B11R1.91 CC(O)CSc1ccccn1 62a_100011218427_100011216584 [0,1,1,0,0,0|2,0,0]=4 1717 B11R1.91 CC(O)CSc1cccnc1 62a_100000210063_100011218427 [0,1,1,0,0,0|2,0,0]=4 1718 B11R1.91 CC(O)CSc1cccnc1 62a_100011218427_100000210063 [0,1,1,0,0,0|2,0,0]=4 1719 B11R1.91 CC(O)CSc1cnccn1 62a_100000211759_100011218427 [0,1,1,0,0,0|1,0,0]=3 1720 B11R1.91 CC(O)CSc1cnccn1 62a_100011218427_100000211759 [0,1,1,0,0,0|1,0,0]=3 1721 B11R1.91 CN(C)CCc1ccccn1 2230a_100000737206_200000210301 [0,1,1,0,0,0|2,0,0]=4 1722 B11R1.91 CN(C)CCc1ccccn1 2230a_100102631434_100015183660 [0,1,1,0,0,0|2,0,0]=4 1723 B11R1.91 CN(C)CCc1ccccn1 269982a_100000737206_200000210301 [0,1,1,0,0,0|2,0,0]=4 1724 B11R1.91 CN(C)CCc1ccccn1 269982a_100102631434_100015183660 [0,1,1,0,0,0|2,0,0]=4 1725 B11R1.91 CN(C)CCc1cccnc1 2230a_100000763209_200000210301 [0,1,1,0,0,0|2,0,0]=4 1726 B11R1.91 CN(C)CCc1cccnc1 2230a_100102631434_200011713674 [0,1,1,0,0,0|2,0,0]=4 1727 B11R1.91 CN(C)CCc1cccnc1 269982a_100000763209_200000210301 [0,1,1,0,0,0|2,0,0]=4 1728 B11R1.91 CN(C)CCc1cccnc1 269982a_100102631434_200011713674 [0,1,1,0,0,0|2,0,0]=4 1729 B11R1.91 CN([13CH3])CCc1ccccn1 2230a_100000737206_200025704644 [0,1,1,0,0,0|2,0,0]=4 1730 B11R1.91 CN([13CH3])CCc1ccccn1 269982a_100000737206_200025704644 [0,1,1,0,0,0|2,0,0]=4 1731 B11R1.91 CN([13CH3])CCc1cccnc1 2230a_100000763209_200025704644 [0,1,1,0,0,0|2,0,0]=4 1732 B11R1.91 CN([13CH3])CCc1cccnc1 269982a_100000763209_200025704644 [0,1,1,0,0,0|2,0,0]=4 1733 B11R1.91 C[C@@H](O)COc1cccnc1 34a_100000210849_100009817552 [0,1,1,0,0,0|2,0,0]=4 1734 B11R1.91 C[C@@H](O)COc1cccnc1 7a_100000210849_100009817552 [0,1,1,0,0,0|2,0,0]=4 1735 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100009817552_100011216584 [0,1,1,0,0,0|2,0,0]=4 1736 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100011216584_100009817552 [0,1,1,0,0,0|2,0,0]=4 1737 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100000210063_100009817552 [0,1,1,0,0,0|2,0,0]=4 1738 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100009817552_100000210063 [0,1,1,0,0,0|2,0,0]=4 1739 B11R1.91 C[C@@H](O)CSc1cnccn1 62a_100000211759_100009817552 [0,1,1,0,0,0|1,0,0]=3 1740 B11R1.91 C[C@@H](O)CSc1cnccn1 62a_100009817552_100000211759 [0,1,1,0,0,0|1,0,0]=3 1741 B11R1.91 FC(F)CNc1cnccn1 27a_100000765723_100000211759 [0,1,1,0,0,0|2,0,0]=4 1742 B11R1.91 FC(F)CSc1cnccn1 62a_100000211759_100011934356 [0,1,1,0,0,0|2,0,0]=4 1743 B11R1.91 FC(F)CSc1cnccn1 62a_100011934356_100000211759 [0,1,1,0,0,0|2,0,0]=4 1744 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,1,1,0,0,0|1,0,1]=4 1745 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,1,1,0,0,0|1,0,1]=4 1746 B11R1.37 CCc1nc(ccc1OC)C 34a_100000718140_200000210301 [0,1,1,0,0,0|2,0,0]=4 1747 B11R1.37 CCc1nc(ccc1OC)C 7a_100000718140_200000210301 [0,1,1,0,0,0|2,0,0]=4 1748 B11R1.37 CCc1nc(ccc1O[13CH3])C 34a_100000718140_200025704644 [0,1,1,0,0,0|2,0,0]=4 1749 B11R1.37 CCc1nc(ccc1O[13CH3])C 7a_100000718140_200025704644 [0,1,1,0,0,0|2,0,0]=4 1750 B11R1.37 CCc1ncc(cc1SC)N 62a_100013085292_200000210301 [0,1,1,0,0,0|2,0,0]=4 1751 B11R1.37 CCc1ncc(cc1SC)N 62a_200000210301_100013085292 [0,1,1,0,0,0|2,0,0]=4 1752 B11R1.37 CCc1ncc(cc1S[13CH3])N 62a_100013085292_200025704644 [0,1,1,0,0,0|2,0,0]=4 1753 B11R1.37 CCc1ncc(cc1S[13CH3])N 62a_200025704644_100013085292 [0,1,1,0,0,0|2,0,0]=4 1754 B11R1.37 COc1nc(cnc1SC)Br 62a_100010214903_200000210301 [0,1,1,0,0,0|2,0,0]=4 1755 B11R1.37 COc1nc(cnc1SC)Br 62a_200000210301_100010214903 [0,1,1,0,0,0|2,0,0]=4 1756 B11R1.37 COc1nc(cnc1SC)N 62a_100010128448_200000210301 [0,1,1,0,0,0|2,0,0]=4 1757 B11R1.37 COc1nc(cnc1SC)N 62a_200000210301_100010128448 [0,1,1,0,0,0|2,0,0]=4 1758 B11R1.37 COc1nc(cnc1S[13CH3])Br 62a_100010214903_200025704644 [0,1,1,0,0,0|2,0,0]=4 1759 B11R1.37 COc1nc(cnc1S[13CH3])Br 62a_200025704644_100010214903 [0,1,1,0,0,0|2,0,0]=4 1760 B11R1.37 COc1nc(cnc1S[13CH3])N 62a_100010128448_200025704644 [0,1,1,0,0,0|2,0,0]=4 1761 B11R1.37 COc1nc(cnc1S[13CH3])N 62a_200025704644_100010128448 [0,1,1,0,0,0|2,0,0]=4 1762 B11R1.37 COc1ncc(nc1OC)O 271570a_203496583355_100010132954 [0,1,1,0,0,0|2,0,0]=4 1763 B11R1.41 C=C=Cc1nccnc1CC 271570a_100015277604_100011995844 [0,1,1,0,0,0|0,0,2]=4 1764 B11R1.41 C=Cc1nccnc1OCC 271570a_100011290941_200010128176 [0,1,1,0,0,0|0,0,2]=4 1765 B11R1.41 CC=Cc1cccnc1CC 271570a_100016259895_100009877225 [0,1,1,0,0,0|1,0,1]=4 1766 B11R1.41 CC=Cc1nccnc1CC 271570a_100016259895_100011995844 [0,1,1,0,0,0|0,0,1]=3 1767 B11R1.41 CC=Cc1nccnc1CN 271570a_100016259895_100000729963 [0,1,1,0,0,0|1,0,1]=4 1768 B11R1.41 CC=Cc1nccnc1CO 271570a_100016259895_100000057004 [0,1,1,0,0,0|1,0,1]=4 1769 B11R1.41 CC=Cc1nccnc1NC 271570a_100016259895_100011529439 [0,1,1,0,0,0|1,0,1]=4 1770 B11R1.41 CC=Cc1nccnc1OC 271570a_100016259895_100000749998 [0,1,1,0,0,0|1,0,1]=4 1771 B11R1.41 CCNc1ccccc1CC 2230a_100000212081_100000210202 [0,1,1,0,0,0|2,0,0]=4 1772 B11R1.41 CCNc1ccccc1CC 34a_100000212081_100000210202 [0,1,1,0,0,0|2,0,0]=4 1773 B11R1.41 CCNc1ccccc1CC 7a_100000212081_100000210202 [0,1,1,0,0,0|2,0,0]=4 1774 B11R1.41 CCNc1cncnc1CC 27a_100015525214_100009816992 [0,1,1,0,0,0|2,0,0]=4 1775 B11R1.41 CCNc1nccnc1C#N 27a_100015525214_100000040484 [0,1,1,0,0,0|1,0,1]=4 1776 B11R1.41 CCNc1nccnc1CC 27a_100015525214_100011995844 [0,1,1,0,0,0|0,0,0]=2 1777 B11R1.41 CCNc1nccnc1OC 27a_100015525214_100009858322 [0,1,1,0,0,0|1,0,0]=3 1778 B11R1.41 CCNc1ncncc1CC 27a_100015525214_200000100055 [0,1,1,0,0,0|2,0,0]=4 1779 B11R1.41 CCOc1ccccc1CC 34a_100000210936_100000210202 [0,1,1,0,0,0|2,0,0]=4 1780 B11R1.41 CCOc1ccccc1CC 7a_100000210936_100000210202 [0,1,1,0,0,0|2,0,0]=4 1781 B11R1.41 CCOc1cccnc1CBr 34a_200020655725_100000210202 [0,1,1,0,0,0|2,0,0]=4 1782 B11R1.41 CCOc1cccnc1CBr 7a_200020655725_100000210202 [0,1,1,0,0,0|2,0,0]=4 1783 B11R1.41 CCOc1cccnc1CO 34a_100000731849_100000210202 [0,1,1,0,0,0|2,0,0]=4 1784 B11R1.41 CCOc1cccnc1OC 34a_100000698397_100000210202 [0,1,1,0,0,0|2,0,0]=4 1785 B11R1.41 CCOc1cccnc1OC 7a_100000698397_100000210202 [0,1,1,0,0,0|2,0,0]=4 1786 B11R1.41 CCOc1cccnc1SC 62a_100011597540_200000210301 [0,1,1,0,0,0|2,0,0]=4 1787 B11R1.41 CCOc1cccnc1SC 62a_200000210301_100011597540 [0,1,1,0,0,0|2,0,0]=4 1788 B11R1.41 CCOc1cccnc1S[13CH3] 62a_100011597540_200025704644 [0,1,1,0,0,0|2,0,0]=4 1789 B11R1.41 CCOc1cccnc1S[13CH3] 62a_200025704644_100011597540 [0,1,1,0,0,0|2,0,0]=4 1790 B11R1.41 CCOc1ncccc1OC 34a_100011998697_200000210301 [0,1,1,0,0,0|2,0,0]=4 1791 B11R1.41 CCOc1ncccc1OC 34a_100025773188_100000210202 [0,1,1,0,0,0|2,0,0]=4 1792 B11R1.41 CCOc1ncccc1O[13CH3] 34a_100011998697_200025704644 [0,1,1,0,0,0|2,0,0]=4 1793 B11R1.41 CCOc1ncccc1SC 62a_100011465154_200000210301 [0,1,1,0,0,0|2,0,0]=4 1794 B11R1.41 CCOc1ncccc1SC 62a_200000210301_100011465154 [0,1,1,0,0,0|2,0,0]=4 1795 B11R1.41 CCOc1ncccc1S[13CH3] 62a_100011465154_200025704644 [0,1,1,0,0,0|2,0,0]=4 1796 B11R1.41 CCOc1ncccc1S[13CH3] 62a_200025704644_100011465154 [0,1,1,0,0,0|2,0,0]=4 1797 B11R1.41 CCOc1nccnc1NC 27a_100102657272_200010128176 [0,1,1,0,0,0|1,0,0]=3 1798 B11R1.41 CCOc1nccnc1SC 62a_200000210301_200010128176 [0,1,1,0,0,0|1,0,0]=3 1799 B11R1.41 CCOc1nccnc1SC 62a_200010128176_200000210301 [0,1,1,0,0,0|1,0,0]=3 1800 B11R1.41 CCOc1nccnc1S[13CH3] 62a_200010128176_200025704644 [0,1,1,0,0,0|1,0,0]=3 1801 B11R1.41 CCOc1nccnc1S[13CH3] 62a_200025704644_200010128176 [0,1,1,0,0,0|1,0,0]=3 1802 B11R1.41 CCSc1ccccc1CC 62a_100000210202_100011215823 [0,1,1,0,0,0|2,0,0]=4 1803 B11R1.41 CCSc1ccccc1CC 62a_100011215823_100000210202 [0,1,1,0,0,0|2,0,0]=4 1804 B11R1.41 CCSc1cccnc1CC 62a_100000210202_100009877225 [0,1,1,0,0,0|1,0,0]=3 1805 B11R1.41 CCSc1cccnc1CC 62a_100009877225_100000210202 [0,1,1,0,0,0|1,0,0]=3 1806 B11R1.41 CCSc1cccnc1CN 62a_100000210202_100020591323 [0,1,1,0,0,0|2,0,0]=4 1807 B11R1.41 CCSc1cccnc1CN 62a_100020591323_100000210202 [0,1,1,0,0,0|2,0,0]=4 1808 B11R1.41 CCSc1cccnc1CO 62a_100000210202_100011996772 [0,1,1,0,0,0|2,0,0]=4 1809 B11R1.41 CCSc1cccnc1CO 62a_100011996772_100000210202 [0,1,1,0,0,0|2,0,0]=4 1810 B11R1.41 CCSc1cccnc1NC 62a_100000210202_100000700899 [0,1,1,0,0,0|2,0,0]=4 1811 B11R1.41 CCSc1cccnc1NC 62a_100000700899_100000210202 [0,1,1,0,0,0|2,0,0]=4 1812 B11R1.41 CCSc1cccnc1OC 62a_100000047025_100000210202 [0,1,1,0,0,0|2,0,0]=4 1813 B11R1.41 CCSc1cccnc1OC 62a_100000210202_100000047025 [0,1,1,0,0,0|2,0,0]=4 1814 B11R1.41 CCSc1cccnc1SC 62a_100000210202_100011465278 [0,1,1,0,0,0|2,0,0]=4 1815 B11R1.41 CCSc1cccnc1SC 62a_100011465278_100000210202 [0,1,1,0,0,0|2,0,0]=4 1816 B11R1.41 CCSc1cncnc1CC 62a_100000210202_100009816992 [0,1,1,0,0,0|2,0,0]=4 1817 B11R1.41 CCSc1cncnc1CC 62a_100009816992_100000210202 [0,1,1,0,0,0|2,0,0]=4 1818 B11R1.41 CCSc1ncccc1CN 62a_100000210202_100015189234 [0,1,1,0,0,0|2,0,0]=4 1819 B11R1.41 CCSc1ncccc1CN 62a_100015189234_100000210202 [0,1,1,0,0,0|2,0,0]=4 1820 B11R1.41 CCSc1ncccc1CO 62a_100000210202_100000748726 [0,1,1,0,0,0|2,0,0]=4 1821 B11R1.41 CCSc1ncccc1CO 62a_100000748726_100000210202 [0,1,1,0,0,0|2,0,0]=4 1822 B11R1.41 CCSc1ncccc1NC 62a_100000210202_200011806188 [0,1,1,0,0,0|2,0,0]=4 1823 B11R1.41 CCSc1ncccc1OC 62a_100000210202_100000690851 [0,1,1,0,0,0|2,0,0]=4 1824 B11R1.41 CCSc1ncccc1OC 62a_100000767102_100000210202 [0,1,1,0,0,0|2,0,0]=4 1825 B11R1.41 CCSc1nccnc1C#N 62a_100000210202_100000040484 [0,1,1,0,0,0|1,0,1]=4 1826 B11R1.41 CCSc1nccnc1C=O 62a_100000051000_100000210202 [0,1,1,0,0,0|1,0,1]=4 1827 B11R1.41 CCSc1nccnc1C=O 62a_100000210202_100000051000 [0,1,1,0,0,0|1,0,1]=4 1828 B11R1.41 CCSc1nccnc1CC 62a_100000210202_100011995844 [0,1,1,0,0,0|0,0,0]=2 1829 B11R1.41 CCSc1nccnc1CC 62a_100011995844_100000210202 [0,1,1,0,0,0|0,0,0]=2 1830 B11R1.41 CCSc1nccnc1CN 62a_100000210202_100000729963 [0,1,1,0,0,0|1,0,0]=3 1831 B11R1.41 CCSc1nccnc1CN 62a_100000729963_100000210202 [0,1,1,0,0,0|1,0,0]=3 1832 B11R1.41 CCSc1nccnc1CO 62a_100000057004_100000210202 [0,1,1,0,0,0|1,0,0]=3 1833 B11R1.41 CCSc1nccnc1CO 62a_100000210202_100000057004 [0,1,1,0,0,0|1,0,0]=3 1834 B11R1.41 CCSc1nccnc1NC 62a_100000210202_100011529439 [0,1,1,0,0,0|1,0,0]=3 1835 B11R1.41 CCSc1nccnc1NN 62a_100000210202_100000755098 [0,1,1,0,0,0|2,0,0]=4 1836 B11R1.41 CCSc1nccnc1OC 62a_100000210202_100000749998 [0,1,1,0,0,0|1,0,0]=3 1837 B11R1.41 CCSc1nccnc1OC 62a_100009858322_100000210202 [0,1,1,0,0,0|1,0,0]=3 1838 B11R1.41 CCSc1ncncc1CC 62a_100000210202_200000100055 [0,1,1,0,0,0|2,0,0]=4 1839 B11R1.41 CCSc1ncncc1CC 62a_200000100055_100000210202 [0,1,1,0,0,0|2,0,0]=4 1840 B11R1.41 CCc1ccccc1CNC 207a_100102657272_100011219594 [0,1,1,0,0,0|2,0,0]=4 1841 B11R1.41 CCc1ccccc1CNC 270004a_106832991635_100011219594 [0,1,1,0,0,0|2,0,0]=4 1842 B11R1.41 CCc1ccccc1COC 34a_100011663872_200000210301 [0,1,1,0,0,0|2,0,0]=4 1843 B11R1.41 CCc1ccccc1COC 7a_100011663872_200000210301 [0,1,1,0,0,0|2,0,0]=4 1844 B11R1.41 CCc1ccccc1CO[13CH3] 34a_100011663872_200025704644 [0,1,1,0,0,0|2,0,0]=4 1845 B11R1.41 CCc1ccccc1CO[13CH3] 7a_100011663872_200025704644 [0,1,1,0,0,0|2,0,0]=4 1846 B11R1.41 CCc1ncccc1SCF 62a_100009877225_100015361967 [0,1,1,0,0,0|2,0,0]=4 1847 B11R1.41 CCc1ncccc1SCF 62a_100015361967_100009877225 [0,1,1,0,0,0|2,0,0]=4 1848 B11R1.41 CCc1nccnc1SCF 62a_100011995844_100015361967 [0,1,1,0,0,0|1,0,0]=3 1849 B11R1.41 CCc1nccnc1SCF 62a_100015361967_100011995844 [0,1,1,0,0,0|1,0,0]=3 1850 B11R1.41 CNCc1cccnc1OC 207a_100102657272_100011290804 [0,1,1,0,0,0|2,0,0]=4 1851 B11R1.41 CNCc1cccnc1OC 2230a_106832991635_100020631285 [0,1,1,0,0,0|2,0,0]=4 1852 B11R1.41 CNCc1cccnc1OC 270004a_106832991635_100011290804 [0,1,1,0,0,0|2,0,0]=4 1853 B11R1.41 CNCc1cccnc1OC 34a_100102657272_100020631285 [0,1,1,0,0,0|2,0,0]=4 1854 B11R1.41 CNCc1cccnc1OC 7a_106832991635_100020631285 [0,1,1,0,0,0|2,0,0]=4 1855 B11R1.41 CNCc1cccnc1SC 62a_103496529121_200000210301 [0,1,1,0,0,0|2,0,0]=4 1856 B11R1.41 CNCc1cccnc1SC 62a_200000210301_103496529121 [0,1,1,0,0,0|2,0,0]=4 1857 B11R1.41 CNCc1cccnc1S[13CH3] 62a_103496529121_200025704644 [0,1,1,0,0,0|2,0,0]=4 1858 B11R1.41 CNCc1cccnc1S[13CH3] 62a_200025704644_103496529121 [0,1,1,0,0,0|2,0,0]=4 1859 B11R1.41 CNCc1ncccc1OC 207a_100102657272_100011912573 [0,1,1,0,0,0|2,0,0]=4 1860 B11R1.41 CNCc1ncccc1OC 270004a_106832991635_100011912573 [0,1,1,0,0,0|2,0,0]=4 1861 B11R1.41 CNc1nccnc1SCF 62a_100015361967_100011529439 [0,1,1,0,0,0|2,0,0]=4 1862 B11R1.41 COCc1cccnc1OC 34a_100000717863_200000210301 [0,1,1,0,0,0|2,0,0]=4 1863 B11R1.41 COCc1cccnc1OC 34a_100138415774_100020631285 [0,1,1,0,0,0|2,0,0]=4 1864 B11R1.41 COCc1ncccc1OC 34a_100011998681_200000210301 [0,1,1,0,0,0|2,0,0]=4 1865 B11R1.41 COc1cccnc1CO[13CH3] 34a_100011998681_200025704644 [0,1,1,0,0,0|2,0,0]=4 1866 B11R1.41 COc1ncccc1CO[13CH3] 34a_100000717863_200025704644 [0,1,1,0,0,0|2,0,0]=4 1867 B11R1.41 COc1ncccc1CSC 62a_100020631285_200000210301 [0,1,1,0,0,0|2,0,0]=4 1868 B11R1.41 COc1ncccc1CSC 62a_200000210301_100020631285 [0,1,1,0,0,0|2,0,0]=4 1869 B11R1.41 COc1ncccc1CS[13CH3] 62a_100020631285_200025704644 [0,1,1,0,0,0|2,0,0]=4 1870 B11R1.41 COc1ncccc1CS[13CH3] 62a_200025704644_100020631285 [0,1,1,0,0,0|2,0,0]=4 1871 B11R1.41 COc1nccnc1SCF 62a_100009858322_100015361967 [0,1,1,0,0,0|2,0,0]=4 1872 B11R1.41 COc1nccnc1SCF 62a_100015361967_100000749998 [0,1,1,0,0,0|2,0,0]=4 1873 B11R1.41 NCc1nccnc1SCF 62a_100000729963_100015361967 [0,1,1,0,0,0|2,0,0]=4 1874 B11R1.41 NCc1nccnc1SCF 62a_100015361967_100000729963 [0,1,1,0,0,0|2,0,0]=4 1875 B11R1.41 OCc1nccnc1SCF 62a_100000057004_100015361967 [0,1,1,0,0,0|2,0,0]=4 1876 B11R1.41 OCc1nccnc1SCF 62a_100015361967_100000057004 [0,1,1,0,0,0|2,0,0]=4 1877 B11R1.53 C=C(C)c1cccnc1CC 271570a_100000694244_100009877225 [0,1,1,0,0,0|1,0,1]=4 1878 B11R1.53 C=C(C)c1nccnc1CC 271570a_100000694244_100011995844 [0,1,1,0,0,0|0,0,1]=3 1879 B11R1.53 C=C(C)c1nccnc1CN 271570a_100000694244_100000729963 [0,1,1,0,0,0|1,0,1]=4 1880 B11R1.53 C=C(C)c1nccnc1CO 271570a_100000694244_100000057004 [0,1,1,0,0,0|1,0,1]=4 1881 B11R1.53 C=C(C)c1nccnc1NC 271570a_100000694244_100011529439 [0,1,1,0,0,0|1,0,1]=4 1882 B11R1.53 C=C(C)c1nccnc1OC 271570a_100000694244_100000749998 [0,1,1,0,0,0|1,0,1]=4 1883 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_100000099859_200025704644 [0,1,1,0,0,0|1,0,1]=4 1884 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000099859 [0,1,1,0,0,0|1,0,1]=4 1885 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200010382935_200025704644 [0,1,1,0,0,0|2,0,0]=4 1886 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200025704644_200010382935 [0,1,1,0,0,0|2,0,0]=4 1887 B11R1.53 CC(C)c1ncccc1O[13CH3] 34a_100012183336_200025704644 [0,1,1,0,0,0|2,0,0]=4 1888 B11R1.53 CC(C)c1ncccc1O[13CH3] 7a_100012183336_200025704644 [0,1,1,0,0,0|2,0,0]=4 1889 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_100159271932_200025704644 [0,1,1,0,0,0|2,0,0]=4 1890 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_200025704644_100159271932 [0,1,1,0,0,0|2,0,0]=4 1891 B11R1.53 CC(O)c1cccnc1S[13CH3] 62a_100009865335_200025704644 [0,1,1,0,0,0|2,0,0]=4 1892 B11R1.53 CC(O)c1cccnc1S[13CH3] 62a_200025704644_100009865335 [0,1,1,0,0,0|2,0,0]=4 1893 B11R1.53 CCc1nccnc1N(C)C 27a_100102631434_100011995844 [0,1,1,0,0,0|1,0,0]=3 1894 B11R1.53 CN(C)c1nccnc1S[13CH3] 62a_200025704644_100000703087 [0,1,1,0,0,0|2,0,0]=4 1895 B11R1.53 CNc1nccnc1C(=O)C 27a_100102657272_100000099859 [0,1,1,0,0,0|1,0,1]=4 1896 B11R1.53 CNc1nccnc1N(C)C 27a_100102657272_100000703087 [0,1,1,0,0,0|2,0,0]=4 1897 B11R1.53 COc1cccnc1C(C)C 34a_100012183336_200000210301 [0,1,1,0,0,0|2,0,0]=4 1898 B11R1.53 COc1cccnc1C(C)C 7a_100012183336_200000210301 [0,1,1,0,0,0|2,0,0]=4 1899 B11R1.53 COc1nccnc1N(C)C 27a_100102631434_100009858322 [0,1,1,0,0,0|2,0,0]=4 1900 B11R1.53 CSc1cccnc1C(C)N 62a_100159271932_200000210301 [0,1,1,0,0,0|2,0,0]=4 1901 B11R1.53 CSc1cccnc1C(C)N 62a_200000210301_100159271932 [0,1,1,0,0,0|2,0,0]=4 1902 B11R1.53 CSc1cccnc1[C@H](C)O 62a_100013325542_200000210301 [0,1,1,0,0,0|2,0,0]=4 1903 B11R1.53 CSc1cccnc1[C@H](C)O 62a_200000210301_100013325542 [0,1,1,0,0,0|2,0,0]=4 1904 B11R1.53 CSc1ncccc1C(C)C 62a_200000210301_200010382935 [0,1,1,0,0,0|2,0,0]=4 1905 B11R1.53 CSc1ncccc1C(C)C 62a_200010382935_200000210301 [0,1,1,0,0,0|2,0,0]=4 1906 B11R1.53 CSc1ncccc1C(C)O 62a_100009865335_200000210301 [0,1,1,0,0,0|2,0,0]=4 1907 B11R1.53 CSc1ncccc1C(C)O 62a_200000210301_100009865335 [0,1,1,0,0,0|2,0,0]=4 1908 B11R1.53 CSc1nccnc1C(=O)C 62a_100000099859_200000210301 [0,1,1,0,0,0|1,0,1]=4 1909 B11R1.53 CSc1nccnc1C(=O)C 62a_200000210301_100000099859 [0,1,1,0,0,0|1,0,1]=4 1910 B11R1.53 CSc1nccnc1N(C)C 62a_200000210301_100000703087 [0,1,1,0,0,0|2,0,0]=4 1911 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_100013325542_200025704644 [0,1,1,0,0,0|2,0,0]=4 1912 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_200025704644_100013325542 [0,1,1,0,0,0|2,0,0]=4 1913 B11R1.87 CC(C)(O)c1cccnc1O 271570a_203496583355_100010080783 [0,1,1,0,0,0|2,0,0]=4 1914 B11R1.87 CC(C)(O)c1ncccc1O 271570a_203496583355_200010080787 [0,1,1,0,0,0|2,0,0]=4 1915 B11R1.159 Cc1c(ccnc1N(C)C)F 27a_100102631434_100009846374 [0,1,1,0,0,0|2,0,0]=4 1916 B11R1.166 C=C(C)c1ncc(nc1C)C 271570a_100000694244_100000065684 [0,1,1,0,0,0|0,0,2]=4 1917 B11R1.166 C=C(C)c1ncc(nc1C)N 271570a_100000694244_100009818570 [0,1,1,0,0,0|0,0,2]=4 1918 B11R1.166 Cc1cnc(c(n1)O)C(C)C 271570a_203496583355_100015629263 [0,1,1,0,0,0|1,0,0]=3 1919 B11R1.167 C=C(C)c1nc(cnc1C)C 271570a_100000694244_100000211308 [0,1,1,0,0,0|0,0,2]=4 1920 B11R1.167 C=C(C)c1nc(cnc1C)N 271570a_100000694244_100009877824 [0,1,1,0,0,0|0,0,2]=4 1921 B11R1.167 CN(C)c1nc(cnc1N)O 271570a_203496583355_200010196045 [0,1,1,0,0,0|2,0,0]=4 1922 B11R1.167 Cc1cnc(c(n1)N(C)C)C 27a_100102631434_100000211308 [0,1,1,0,0,0|1,0,0]=3 1923 B11R2.10 CN1Cc2cccnc2C1 269982a_100000726175_200000210301 [1,1,0,0,0,0|2,0,0]=4 1924 B11R2.10 [13CH3]N1Cc2cccnc2C1 269982a_100000726175_200025704644 [1,1,0,0,0,0|2,0,0]=4 1925 B11R2.36 Oc1ccc2c(c1)CCC2 271570a_203496583355_100000745594 [1,1,0,0,0,0|2,0,0]=4 1926 B11R2.36 Oc1ccc2c(n1)CCC2 271570a_203496583355_100000046531 [1,1,0,0,0,0|1,0,0]=3 1927 B11R2.36 Oc1ccc2c(n1)CCN2 271570a_203496583355_100009872833 [1,1,0,0,0,0|2,0,0]=4 1928 B11R2.36 Oc1ccc2c(n1)CNC2 271570a_203496583355_100016995040 [1,1,0,0,0,0|2,0,0]=4 1929 B11R2.36 Oc1cnc2c(c1)CCC2 271570a_203496583355_100000693888 [1,1,0,0,0,0|1,0,0]=3 1930 B11R2.36 Oc1cnc2c(c1)CCN2 271570a_203496583355_100009817725 [1,1,0,0,0,0|2,0,0]=4 1931 B11R2.36 Oc1cnc2c(c1)NCC2 271570a_203496583355_100000698607 [1,1,0,0,0,0|2,0,0]=4 1932 B11R2.36 Oc1ncc2c(n1)CCC2 271570a_203496583355_100009881048 [1,1,0,0,0,0|2,0,0]=4 1933 B11R2.106 Oc1cccc2c1CCC2 271570a_203496583355_100010343934 [1,1,0,0,0,0|2,0,0]=4 1934 B11R2.106 Oc1ccnc2c1CCC2 271570a_203496583355_100000102697 [1,1,0,0,0,0|1,0,0]=3 1935 B11R2.106 Oc1ncnc2c1CCC2 271570a_203496583355_100000750143 [1,1,0,0,0,0|2,0,0]=4 1936 B11R2.191 CNC1CCc2c1ccs2 269862a_106832991636_100000011361 [0,1,0,0,1,0|1,0,0]=3 1937 B11R2.191 CNC1CCc2c1scc2 269862a_106832991636_100000080523 [0,1,0,0,1,0|1,0,0]=3 1938 B11R2.191 CNC1CCn2c1ncc2 270004a_106832991635_100009824702 [0,1,0,0,1,0|1,0,0]=3 1939 B11R2.191 COC1CCn2c1ncc2 7a_100009824360_200000210301 [0,1,0,0,1,0|1,0,0]=3 1940 B11R2.191 [13CH3]OC1CCn2c1ncc2 7a_100009824360_200025704644 [0,1,0,0,1,0|1,0,0]=3 1941 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [0,1,0,0,1,0|2,0,0]=4 1942 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [0,1,0,0,1,0|2,0,0]=4 1943 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [0,1,0,0,1,0|2,0,0]=4 1944 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [0,1,0,0,1,0|2,0,0]=4 1945 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [0,1,0,0,1,0|2,0,0]=4 1946 B13R2.57 CCN1CCc2cccnc2C1 2230a_100015206102_100000210202 [0,1,0,0,0,1|2,0,0]=4 1947 B13R2.57 CCN1CCc2cccnc2C1 269982a_100015206102_100000204670 [0,1,0,0,0,1|2,0,0]=4 1948 B13R2.57 CCN1CCc2ncccc2C1 2230a_100000699647_100000210202 [0,1,0,0,0,1|2,0,0]=4 1949 B13R2.57 CCN1CCc2ncccc2C1 269982a_100000699647_100000204670 [0,1,0,0,0,1|2,0,0]=4 1950 B13R2.57 CNC1CCc2ccccc2C1 2230a_100000748446_200000210301 [0,1,0,0,0,1|2,0,0]=4 1951 B13R2.57 CNC1CCc2ccccc2C1 270004a_106832991635_100000212018 [0,1,0,0,0,1|2,0,0]=4 1952 B13R2.57 CNC1CCc2ccccc2C1 34a_100000748446_200000210301 [0,1,0,0,0,1|2,0,0]=4 1953 B13R2.57 COC1CCc2ccccc2C1 34a_100011216300_200000210301 [0,1,0,0,0,1|2,0,0]=4 1954 B13R2.57 COC1CCc2ccccc2C1 7a_100011216300_200000210301 [0,1,0,0,0,1|2,0,0]=4 1955 B13R2.57 FCN1CCc2cccnc2C1 269982a_100015206102_100015361967 [0,1,0,0,0,1|2,0,0]=4 1956 B13R2.57 FCN1CCc2ncccc2C1 269982a_100000699647_100015361967 [0,1,0,0,0,1|2,0,0]=4 1957 B13R2.57 [13CH3]NC1CCc2ccccc2C1 2230a_100000748446_200025704644 [0,1,0,0,0,1|2,0,0]=4 1958 B13R2.57 [13CH3]NC1CCc2ccccc2C1 34a_100000748446_200025704644 [0,1,0,0,0,1|2,0,0]=4 1959 B13R2.57 [13CH3]OC1CCc2ccccc2C1 34a_100011216300_200025704644 [0,1,0,0,0,1|2,0,0]=4 1960 B13R2.57 [13CH3]OC1CCc2ccccc2C1 7a_100011216300_200025704644 [0,1,0,0,0,1|2,0,0]=4 1961 B13R2.155 CN1CCc2ncc(cc2C1)Cl 2230a_100016987718_200000210301 [0,1,0,0,0,1|2,0,0]=4 1962 B13R2.155 CN1CCc2ncc(cc2C1)Cl 269982a_100016987718_200000210301 [0,1,0,0,0,1|2,0,0]=4 1963 B13R2.155 [13CH3]N1CCc2ncc(cc2C1)Cl 2230a_100016987718_200025704644 [0,1,0,0,0,1|2,0,0]=4 1964 B13R2.155 [13CH3]N1CCc2ncc(cc2C1)Cl 269982a_100016987718_200025704644 [0,1,0,0,0,1|2,0,0]=4 1965 B13R2.3683 CC1CCc2cc(ccc2N1)O 271570a_203496583355_100010333662 [0,1,0,0,0,1|2,0,0]=4 1966 B13R2.3683 CN1CCc2nc(ccc2C1)Cl 2230a_100015190003_200000210301 [0,1,0,0,0,1|2,0,0]=4 1967 B13R2.3683 CN1CCc2nc(ccc2C1)Cl 269982a_100015190003_200000210301 [0,1,0,0,0,1|2,0,0]=4 1968 B13R2.3683 CN1CCc2nc(ccc2C1)Cl 34a_100015190003_200000210301 [0,1,0,0,0,1|2,0,0]=4 1969 B13R2.3683 [13CH3]N1CCc2nc(ccc2C1)Cl 2230a_100015190003_200025704644 [0,1,0,0,0,1|2,0,0]=4 1970 B13R2.3683 [13CH3]N1CCc2nc(ccc2C1)Cl 269982a_100015190003_200025704644 [0,1,0,0,0,1|2,0,0]=4 1971 B13R2.3683 [13CH3]N1CCc2nc(ccc2C1)Cl 34a_100015190003_200025704644 [0,1,0,0,0,1|2,0,0]=4 1972 B13R2.1613 CNC1CCCc2c1cccc2 269862a_106832991636_100000210882 [0,1,0,0,0,1|2,0,0]=4 1973 B13R2.1613 CNC1CCCc2c1cccn2 269862a_106832991636_100000058033 [0,1,0,0,0,1|1,0,0]=3 1974 B13R2.1613 CNC1CCCc2c1nccc2 2230a_100011259139_200000210301 [0,1,0,0,0,1|1,0,0]=3 1975 B13R2.1613 CNC1CCCc2c1nccc2 269862a_106832991636_100000067617 [0,1,0,0,0,1|1,0,0]=3 1976 B13R2.1613 CNC1CCOc2c1cccc2 2230a_100015190321_200000210301 [0,1,0,0,0,1|2,0,0]=4 1977 B13R2.1613 CNC1CCOc2c1nccc2 2230a_100009852857_200000210301 [0,1,0,0,0,1|1,0,0]=3 1978 B13R2.1613 CNC1CCSc2c1cccc2 269862a_106832991636_100000183853 [0,1,0,0,0,1|2,0,0]=4 1979 B13R2.1613 CNC1COCc2c1cccc2 269862a_106832991636_100000117393 [0,1,0,0,0,1|2,0,0]=4 1980 B13R2.1613 CN[C@H]1CCCc2c1cccc2 34a_100020654734_200000210301 [0,1,0,0,0,1|2,0,0]=4 1981 B13R2.1613 COC1CCCc2c1cccc2 34a_100000183665_200000210301 [0,1,0,0,0,1|2,0,0]=4 1982 B13R2.1613 COC1CCCc2c1cccc2 7a_100000183665_200000210301 [0,1,0,0,0,1|2,0,0]=4 1983 B13R2.1613 COC1CCOc2c1cccc2 7a_100000708930_200000210301 [0,1,0,0,0,1|2,0,0]=4 1984 B13R2.1613 COC1COCc2c1cccc2 34a_100012179175_200000210301 [0,1,0,0,0,1|2,0,0]=4 1985 B13R2.1613 [13CH3]NC1CCCc2c1nccc2 2230a_100011259139_200025704644 [0,1,0,0,0,1|1,0,0]=3 1986 B13R2.1613 [13CH3]NC1CCOc2c1cccc2 2230a_100015190321_200025704644 [0,1,0,0,0,1|2,0,0]=4 1987 B13R2.1613 [13CH3]NC1CCOc2c1nccc2 2230a_100009852857_200025704644 [0,1,0,0,0,1|1,0,0]=3 1988 B13R2.1613 [13CH3]N[C@H]1CCCc2c1cccc2 34a_100020654734_200025704644 [0,1,0,0,0,1|2,0,0]=4 1989 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 34a_100000183665_200025704644 [0,1,0,0,0,1|2,0,0]=4 1990 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 7a_100000183665_200025704644 [0,1,0,0,0,1|2,0,0]=4 1991 B13R2.1613 [13CH3]OC1CCOc2c1cccc2 7a_100000708930_200025704644 [0,1,0,0,0,1|2,0,0]=4 1992 B13R2.1613 [13CH3]OC1COCc2c1cccc2 34a_100012179175_200025704644 [0,1,0,0,0,1|2,0,0]=4 1993 B13R2.1 CCNC1CCc2c1cccc2 2230a_100015525214_200000721974 [0,2,0,0,0,0|2,0,0]=4 1994 B13R2.1 CCNC1CCc2c1cccc2 269862a_100015525214_100000212051 [0,2,0,0,0,0|2,0,0]=4 1995 B13R2.1 CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210202 [0,2,0,0,0,0|2,0,0]=4 1996 B13R2.1 CCN[C@H]1CCc2c1cccc2 34a_100016989578_100000210202 [0,2,0,0,0,0|2,0,0]=4 1997 B13R2.1 CCOC1CCc2c1cccc2 34a_100000212247_100000210202 [0,2,0,0,0,0|2,0,0]=4 1998 B13R2.1 CCOC1CCc2c1cccc2 7a_100000212247_100000210202 [0,2,0,0,0,0|2,0,0]=4 1999 B13R2.1 CCSC1CCc2c1cccc2 62a_100000210202_200000721974 [0,2,0,0,0,0|2,0,0]=4 2000 B13R2.1 CNCC1CCc2c1cccc2 2230a_100020632452_200000210301 [0,2,0,0,0,0|2,0,0]=4 2001 B13R2.1 CNCC1CCc2c1cccc2 34a_100020632452_200000210301 [0,2,0,0,0,0|2,0,0]=4 2002 B13R2.1 FCN[C@H]1CCc2c1cccc2 34a_100016989578_100015361967 [0,2,0,0,0,0|2,0,0]=4 2003 B13R2.1 FCOC1CCc2c1cccc2 34a_100000212247_100015361967 [0,2,0,0,0,0|2,0,0]=4 2004 B13R2.1 FCOC1CCc2c1cccc2 7a_100000212247_100015361967 [0,2,0,0,0,0|2,0,0]=4 2005 B13R2.1 FCSC1CCc2c1cccc2 62a_100015361967_200000721974 [0,2,0,0,0,0|2,0,0]=4 2006 B13R2.1 [13CH3]NCC1CCc2c1cccc2 2230a_100020632452_200025704644 [0,2,0,0,0,0|2,0,0]=4 2007 B13R2.1 [13CH3]NCC1CCc2c1cccc2 34a_100020632452_200025704644 [0,2,0,0,0,0|2,0,0]=4 2008 B13R2.9 CNC1CCc2c1cccc2Br 2230a_100000751068_200000210301 [0,2,0,0,0,0|2,0,0]=4 2009 B13R2.9 CNC1CCc2c1cccc2Br 269862a_106832991636_100000744605 [0,2,0,0,0,0|2,0,0]=4 2010 B13R2.9 CNC1CCc2c1cccc2Br 34a_100000751068_200000210301 [0,2,0,0,0,0|2,0,0]=4 2011 B13R2.9 CNC1CCc2c1cccc2C 269862a_106832991636_100000752022 [0,2,0,0,0,0|2,0,0]=4 2012 B13R2.9 CNC1CCc2c1cccc2Cl 2230a_100000743989_200000210301 [0,2,0,0,0,0|2,0,0]=4 2013 B13R2.9 CNC1CCc2c1cccc2Cl 269862a_106832991636_100000743251 [0,2,0,0,0,0|2,0,0]=4 2014 B13R2.9 CNC1CCc2c1cccc2Cl 34a_100000743989_200000210301 [0,2,0,0,0,0|2,0,0]=4 2015 B13R2.9 CNC1CCc2c1cccc2F 269862a_106832991636_100000743250 [0,2,0,0,0,0|2,0,0]=4 2016 B13R2.9 CNC1CCc2c1cccc2I 269862a_106832991636_100000049675 [0,2,0,0,0,0|2,0,0]=4 2017 B13R2.9 CN[C@H]1CCc2c1cccc2C 2230a_100134618347_200000210301 [0,2,0,0,0,0|2,0,0]=4 2018 B13R2.9 CN[C@H]1CCc2c1cccc2C 34a_100134618347_200000210301 [0,2,0,0,0,0|2,0,0]=4 2019 B13R2.9 CN[C@H]1CCc2c1cccc2F 2230a_100015193782_200000210301 [0,2,0,0,0,0|2,0,0]=4 2020 B13R2.9 CN[C@H]1CCc2c1cccc2F 34a_100015193782_200000210301 [0,2,0,0,0,0|2,0,0]=4 2021 B13R2.9 CN[C@H]1CCc2c1cccc2O 2230a_100134616730_200000210301 [0,2,0,0,0,0|2,0,0]=4 2022 B13R2.9 CN[C@H]1CCc2c1cccc2O 34a_100134616730_200000210301 [0,2,0,0,0,0|2,0,0]=4 2023 B13R2.9 COC1CCc2c1cccc2C 34a_100011467954_200000210301 [0,2,0,0,0,0|2,0,0]=4 2024 B13R2.9 COC1CCc2c1cccc2C 7a_100011467954_200000210301 [0,2,0,0,0,0|2,0,0]=4 2025 B13R2.9 COC1CCc2c1nccc2Cl 7a_100009868430_200000210301 [0,2,0,0,0,0|1,0,0]=3 2026 B13R2.9 CO[C@H]1CCc2c1cccc2Br 34a_100010080924_200000210301 [0,2,0,0,0,0|2,0,0]=4 2027 B13R2.9 CO[C@H]1CCc2c1cccc2Br 7a_100010080924_200000210301 [0,2,0,0,0,0|2,0,0]=4 2028 B13R2.9 Cc1cccc2c1CCC2O[13CH3] 34a_100011467954_200025704644 [0,2,0,0,0,0|2,0,0]=4 2029 B13R2.9 Cc1cccc2c1CCC2O[13CH3] 7a_100011467954_200025704644 [0,2,0,0,0,0|2,0,0]=4 2030 B13R2.9 Cc1cccc2c1CC[C@@H]2N[13CH3] 2230a_100134618347_200025704644 [0,2,0,0,0,0|2,0,0]=4 2031 B13R2.9 Cc1cccc2c1CC[C@@H]2N[13CH3] 34a_100134618347_200025704644 [0,2,0,0,0,0|2,0,0]=4 2032 B13R2.9 [13CH3]NC1CCc2c1cccc2Br 2230a_100000751068_200025704644 [0,2,0,0,0,0|2,0,0]=4 2033 B13R2.9 [13CH3]NC1CCc2c1cccc2Br 34a_100000751068_200025704644 [0,2,0,0,0,0|2,0,0]=4 2034 B13R2.9 [13CH3]NC1CCc2c1cccc2Cl 2230a_100000743989_200025704644 [0,2,0,0,0,0|2,0,0]=4 2035 B13R2.9 [13CH3]NC1CCc2c1cccc2Cl 34a_100000743989_200025704644 [0,2,0,0,0,0|2,0,0]=4 2036 B13R2.9 [13CH3]N[C@H]1CCc2c1cccc2F 2230a_100015193782_200025704644 [0,2,0,0,0,0|2,0,0]=4 2037 B13R2.9 [13CH3]N[C@H]1CCc2c1cccc2F 34a_100015193782_200025704644 [0,2,0,0,0,0|2,0,0]=4 2038 B13R2.9 [13CH3]N[C@H]1CCc2c1cccc2O 2230a_100134616730_200025704644 [0,2,0,0,0,0|2,0,0]=4 2039 B13R2.9 [13CH3]N[C@H]1CCc2c1cccc2O 34a_100134616730_200025704644 [0,2,0,0,0,0|2,0,0]=4 2040 B13R2.9 [13CH3]OC1CCc2c1nccc2Cl 7a_100009868430_200025704644 [0,2,0,0,0,0|1,0,0]=3 2041 B13R2.9 [13CH3]O[C@H]1CCc2c1cccc2Br 34a_100010080924_200025704644 [0,2,0,0,0,0|2,0,0]=4 2042 B13R2.9 [13CH3]O[C@H]1CCc2c1cccc2Br 7a_100010080924_200025704644 [0,2,0,0,0,0|2,0,0]=4 2043 B13R2.72 CC(=O)C1CCc2c1cccc2 1458a_100000750891_200000210301 [0,2,0,0,0,0|2,0,0]=4 2044 B13R2.72 CN(C)C1CCc2c1cccc2 2230a_100102631434_200000721974 [0,2,0,0,0,0|2,0,0]=4 2045 B13R2.72 CN(C)C1CCc2c1cccc2 269982a_100102631434_200000721974 [0,2,0,0,0,0|2,0,0]=4 2046 B13R2.72 [13CH3]C(=O)C1CCc2c1cccc2 1458a_100000750891_200025704644 [0,2,0,0,0,0|2,0,0]=4 2047 B13R2.135 CN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_200000210301 [0,2,0,0,0,0|2,0,0]=4 2048 B13R2.135 [13CH3]N[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_200025704644 [0,2,0,0,0,0|2,0,0]=4 2049 B13R2.662 CNC1CCc2c1ccc(c2)Br 2230a_100000744021_200000210301 [0,2,0,0,0,0|2,0,0]=4 2050 B13R2.662 CNC1CCc2c1ccc(c2)Br 269862a_106832991636_100000737041 [0,2,0,0,0,0|2,0,0]=4 2051 B13R2.662 CNC1CCc2c1ccc(c2)Br 34a_100000744021_200000210301 [0,2,0,0,0,0|2,0,0]=4 2052 B13R2.662 CNC1CCc2c1ccc(c2)C 2230a_200000746848_200000210301 [0,2,0,0,0,0|2,0,0]=4 2053 B13R2.662 CNC1CCc2c1ccc(c2)C 269862a_106832991636_100000743249 [0,2,0,0,0,0|2,0,0]=4 2054 B13R2.662 CNC1CCc2c1ccc(c2)C 34a_200000746848_200000210301 [0,2,0,0,0,0|2,0,0]=4 2055 B13R2.662 CNC1CCc2c1ccc(c2)Cl 2230a_100000743821_200000210301 [0,2,0,0,0,0|2,0,0]=4 2056 B13R2.662 CNC1CCc2c1ccc(c2)Cl 269862a_106832991636_100000751102 [0,2,0,0,0,0|2,0,0]=4 2057 B13R2.662 CNC1CCc2c1ccc(c2)Cl 34a_100000743821_200000210301 [0,2,0,0,0,0|2,0,0]=4 2058 B13R2.662 CNC1CCc2c1ccc(c2)F 269862a_106832991636_100000035798 [0,2,0,0,0,0|2,0,0]=4 2059 B13R2.662 CNC1CCc2c1ccc(c2)I 269862a_106832991636_100000049573 [0,2,0,0,0,0|2,0,0]=4 2060 B13R2.662 CN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_200000210301 [0,2,0,0,0,0|2,0,0]=4 2061 B13R2.662 CN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_200000210301 [0,2,0,0,0,0|2,0,0]=4 2062 B13R2.662 COC1CCc2c1ccc(c2)Br 34a_100000747877_200000210301 [0,2,0,0,0,0|2,0,0]=4 2063 B13R2.662 COC1CCc2c1ccc(c2)Br 7a_100000747877_200000210301 [0,2,0,0,0,0|2,0,0]=4 2064 B13R2.662 COC1CCc2c1ccc(c2)C 34a_100000103036_200000210301 [0,2,0,0,0,0|2,0,0]=4 2065 B13R2.662 COC1CCc2c1ccc(c2)C 7a_100000103036_200000210301 [0,2,0,0,0,0|2,0,0]=4 2066 B13R2.662 COC1CCc2c1ccc(c2)Cl 34a_100012002497_200000210301 [0,2,0,0,0,0|2,0,0]=4 2067 B13R2.662 COC1CCc2c1ccc(c2)Cl 7a_100012002497_200000210301 [0,2,0,0,0,0|2,0,0]=4 2068 B13R2.662 COC1CCc2c1ccc(c2)F 34a_100012002498_200000210301 [0,2,0,0,0,0|2,0,0]=4 2069 B13R2.662 COC1CCc2c1ccc(c2)F 7a_100012002498_200000210301 [0,2,0,0,0,0|2,0,0]=4 2070 B13R2.662 Cc1ccc2c(c1)CCC2N[13CH3] 2230a_200000746848_200025704644 [0,2,0,0,0,0|2,0,0]=4 2071 B13R2.662 Cc1ccc2c(c1)CCC2N[13CH3] 34a_200000746848_200025704644 [0,2,0,0,0,0|2,0,0]=4 2072 B13R2.662 Cc1ccc2c(c1)CCC2O[13CH3] 34a_100000103036_200025704644 [0,2,0,0,0,0|2,0,0]=4 2073 B13R2.662 Cc1ccc2c(c1)CCC2O[13CH3] 7a_100000103036_200025704644 [0,2,0,0,0,0|2,0,0]=4 2074 B13R2.662 [13CH3]NC1CCc2c1ccc(c2)Br 2230a_100000744021_200025704644 [0,2,0,0,0,0|2,0,0]=4 2075 B13R2.662 [13CH3]NC1CCc2c1ccc(c2)Br 34a_100000744021_200025704644 [0,2,0,0,0,0|2,0,0]=4 2076 B13R2.662 [13CH3]NC1CCc2c1ccc(c2)Cl 2230a_100000743821_200025704644 [0,2,0,0,0,0|2,0,0]=4 2077 B13R2.662 [13CH3]NC1CCc2c1ccc(c2)Cl 34a_100000743821_200025704644 [0,2,0,0,0,0|2,0,0]=4 2078 B13R2.662 [13CH3]N[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_200025704644 [0,2,0,0,0,0|2,0,0]=4 2079 B13R2.662 [13CH3]N[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_200025704644 [0,2,0,0,0,0|2,0,0]=4 2080 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)Br 34a_100000747877_200025704644 [0,2,0,0,0,0|2,0,0]=4 2081 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)Br 7a_100000747877_200025704644 [0,2,0,0,0,0|2,0,0]=4 2082 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)Cl 34a_100012002497_200025704644 [0,2,0,0,0,0|2,0,0]=4 2083 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)Cl 7a_100012002497_200025704644 [0,2,0,0,0,0|2,0,0]=4 2084 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)F 34a_100012002498_200025704644 [0,2,0,0,0,0|2,0,0]=4 2085 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)F 7a_100012002498_200025704644 [0,2,0,0,0,0|2,0,0]=4 2086 B13R2.2091 CNC1CCc2c1c(ccc2)Br 2230a_100103168669_200000210301 [0,2,0,0,0,0|2,0,0]=4 2087 B13R2.2091 CNC1CCc2c1c(ccc2)Br 34a_100103168669_200000210301 [0,2,0,0,0,0|2,0,0]=4 2088 B13R2.2091 [13CH3]NC1CCc2c1c(ccc2)Br 2230a_100103168669_200025704644 [0,2,0,0,0,0|2,0,0]=4 2089 B13R2.2091 [13CH3]NC1CCc2c1c(ccc2)Br 34a_100103168669_200025704644 [0,2,0,0,0,0|2,0,0]=4 2090 B13R2.2136 CNC1CCc2c1cc(cc2)Br 2230a_100011435097_200000210301 [0,2,0,0,0,0|2,0,0]=4 2091 B13R2.2136 CNC1CCc2c1cc(cc2)Br 269862a_106832991636_100000759401 [0,2,0,0,0,0|2,0,0]=4 2092 B13R2.2136 CNC1CCc2c1cc(cc2)Br 34a_100011435097_200000210301 [0,2,0,0,0,0|2,0,0]=4 2093 B13R2.2136 CNC1CCc2c1cc(cc2)C 269862a_106832991636_100000753597 [0,2,0,0,0,0|2,0,0]=4 2094 B13R2.2136 CNC1CCc2c1cc(cc2)Cl 2230a_100016987686_200000210301 [0,2,0,0,0,0|2,0,0]=4 2095 B13R2.2136 CNC1CCc2c1cc(cc2)Cl 269862a_106832991636_100000759629 [0,2,0,0,0,0|2,0,0]=4 2096 B13R2.2136 CNC1CCc2c1cc(cc2)Cl 34a_100016987686_200000210301 [0,2,0,0,0,0|2,0,0]=4 2097 B13R2.2136 CNC1CCc2c1cc(cc2)F 2230a_100000752734_200000210301 [0,2,0,0,0,0|2,0,0]=4 2098 B13R2.2136 CNC1CCc2c1cc(cc2)F 269862a_106832991636_100000759630 [0,2,0,0,0,0|2,0,0]=4 2099 B13R2.2136 CNC1CCc2c1cc(cc2)F 34a_100000752734_200000210301 [0,2,0,0,0,0|2,0,0]=4 2100 B13R2.2136 CNC1CCc2c1cc(cc2)I 269862a_106832991636_100011356848 [0,2,0,0,0,0|2,0,0]=4 2101 B13R2.2136 CNC1CCc2c1cc(cn2)Br 269862a_106832991636_100010174022 [0,2,0,0,0,0|1,0,0]=3 2102 B13R2.2136 COC1CCc2c1cc(cc2)Br 34a_100011836024_200000210301 [0,2,0,0,0,0|2,0,0]=4 2103 B13R2.2136 COC1CCc2c1cc(cc2)Br 7a_100011836024_200000210301 [0,2,0,0,0,0|2,0,0]=4 2104 B13R2.2136 [13CH3]NC1CCc2c1cc(cc2)Br 2230a_100011435097_200025704644 [0,2,0,0,0,0|2,0,0]=4 2105 B13R2.2136 [13CH3]NC1CCc2c1cc(cc2)Br 34a_100011435097_200025704644 [0,2,0,0,0,0|2,0,0]=4 2106 B13R2.2136 [13CH3]NC1CCc2c1cc(cc2)Cl 2230a_100016987686_200025704644 [0,2,0,0,0,0|2,0,0]=4 2107 B13R2.2136 [13CH3]NC1CCc2c1cc(cc2)Cl 34a_100016987686_200025704644 [0,2,0,0,0,0|2,0,0]=4 2108 B13R2.2136 [13CH3]NC1CCc2c1cc(cc2)F 2230a_100000752734_200025704644 [0,2,0,0,0,0|2,0,0]=4 2109 B13R2.2136 [13CH3]NC1CCc2c1cc(cc2)F 34a_100000752734_200025704644 [0,2,0,0,0,0|2,0,0]=4 2110 B13R2.2136 [13CH3]OC1CCc2c1cc(cc2)Br 34a_100011836024_200025704644 [0,2,0,0,0,0|2,0,0]=4 2111 B13R2.2136 [13CH3]OC1CCc2c1cc(cc2)Br 7a_100011836024_200025704644 [0,2,0,0,0,0|2,0,0]=4 2112 B13R2.2531 CC1(CCc2c1cccc2)O[13CH3] 34a_100000685031_200025704644 [0,2,0,0,0,0|2,0,0]=4 2113 B13R2.2531 CC1(CCc2c1cccc2)O[13CH3] 7a_100000685031_200025704644 [0,2,0,0,0,0|2,0,0]=4 2114 B13R2.2531 COC1(CCc2c1cccc2)C 34a_100000685031_200000210301 [0,2,0,0,0,0|2,0,0]=4 2115 B13R2.2531 COC1(CCc2c1cccc2)C 7a_100000685031_200000210301 [0,2,0,0,0,0|2,0,0]=4 2116 B13R2.2931 CNC1CC(c2c1cccc2)C 269862a_106832991636_100000750356 [0,2,0,0,0,0|2,0,0]=4 2117 B13R2.573 C=Cc1ccnc2c1CCC2O 271570a_100011290941_100009868430 [0,2,0,0,0,0|2,0,0]=4 2118 B13R2.573 CNc1ccnc2c1CCC2O 27a_100102657272_100009868430 [0,2,0,0,0,0|2,0,0]=4 2119 B13R2.573 CSc1ccnc2c1CCC2O 62a_100009868430_200000210301 [0,2,0,0,0,0|2,0,0]=4 2120 B13R2.573 CSc1ccnc2c1CCC2O 62a_200000210301_100009868430 [0,2,0,0,0,0|2,0,0]=4 2121 B13R2.573 [13CH3]Sc1ccnc2c1CCC2O 62a_100009868430_200025704644 [0,2,0,0,0,0|2,0,0]=4 2122 B13R2.573 [13CH3]Sc1ccnc2c1CCC2O 62a_200025704644_100009868430 [0,2,0,0,0,0|2,0,0]=4 2123 B13R2.2130 C=Cc1cnc2c(c1)CCN2C 271570a_100011290941_200010383199 [0,2,0,0,0,0|2,0,0]=4 2124 B13R2.2130 CN1CCc2c1ncc(c2)S[13CH3] 62a_200010383199_200025704644 [0,2,0,0,0,0|2,0,0]=4 2125 B13R2.2130 CN1CCc2c1ncc(c2)S[13CH3] 62a_200025704644_200010383199 [0,2,0,0,0,0|2,0,0]=4 2126 B13R2.2130 CSc1cnc2c(c1)CCN2C 62a_200000210301_200010383199 [0,2,0,0,0,0|2,0,0]=4 2127 B13R2.2130 CSc1cnc2c(c1)CCN2C 62a_200010383199_200000210301 [0,2,0,0,0,0|2,0,0]=4 2128 B13R2.3108 CC1(CNc2c1ncc(c2)O)C 271570a_203496583355_100010744808 [0,2,0,0,0,0|2,0,0]=4 2129 B9R0.8 C=CC=CC(=O)C(C)CC 1458a_100016291481_100000758301 [0,0,2,0,0,0|2,0,0]=4 2130 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [0,0,2,0,0,0|2,0,0]=4 2131 B11R2.239 c1cnc(cn1)N2CCC2 27a_100000754969_100000211759 [0,0,1,1,0,0|1,0,0]=3 2132 B11R2.238 c1ccc(nc1)SC2CC2 62a_100011216584_100000211595 [0,0,1,1,0,0|2,0,0]=4 2133 B11R2.238 c1cnc(cn1)NC2CC2 27a_100000212008_100000211759 [0,0,1,1,0,0|1,0,0]=3 2134 B11R2.238 c1cnc(cn1)SC2CC2 62a_100000211759_100000211595 [0,0,1,1,0,0|1,0,0]=3 2135 B11R2.238 c1cncc(c1)OC2CC2 34a_100000210849_100000211595 [0,0,1,1,0,0|2,0,0]=4 2136 B11R2.238 c1cncc(c1)SC2CC2 62a_100000210063_100000211595 [0,0,1,1,0,0|2,0,0]=4 2137 B11R2.55 Brc1cccnc1C2CC2 271570a_100011220607_100000696092 [0,0,1,1,0,0|2,0,0]=4 2138 B11R2.55 Brc1ncccc1C2CC2 271570a_100011220607_100010202626 [0,0,1,1,0,0|2,0,0]=4 2139 B11R2.55 Cc1ccccc1C2CC2 271570a_100011220607_100000210755 [0,0,1,1,0,0|2,0,0]=4 2140 B11R2.55 Cc1cccnc1C2CC2 271570a_100011220607_100000751373 [0,0,1,1,0,0|1,0,0]=3 2141 B11R2.55 Cc1ccnnc1C2CC2 271570a_100011220607_100000089043 [0,0,1,1,0,0|2,0,0]=4 2142 B11R2.55 Cc1cncnc1C2CC2 271570a_100011220607_100011998708 [0,0,1,1,0,0|2,0,0]=4 2143 B11R2.55 Cc1ncccc1C2CC2 271570a_100011220607_100000751574 [0,0,1,1,0,0|1,0,0]=3 2144 B11R2.55 Cc1nccnc1C2CC2 271570a_100011220607_100011999405 [0,0,1,1,0,0|0,0,0]=2 2145 B11R2.55 Cc1ncncc1C2CC2 271570a_100011220607_100009819671 [0,0,1,1,0,0|2,0,0]=4 2146 B11R2.55 Clc1cccnc1C2CC2 271570a_100011220607_100011356963 [0,0,1,1,0,0|2,0,0]=4 2147 B11R2.55 Clc1ncccc1C2CC2 271570a_100011220607_100000036424 [0,0,1,1,0,0|2,0,0]=4 2148 B11R2.55 Fc1cccnc1C2CC2 271570a_100011220607_100000685392 [0,0,1,1,0,0|2,0,0]=4 2149 B11R2.55 Fc1ncccc1C2CC2 271570a_100011220607_100009816115 [0,0,1,1,0,0|2,0,0]=4 2150 B11R2.55 Fc1nccnc1C2CC2 271570a_100011220607_200010125657 [0,0,1,1,0,0|1,0,0]=3 2151 B11R2.55 Nc1cccnc1C2CC2 271570a_100011220607_100000688686 [0,0,1,1,0,0|2,0,0]=4 2152 B11R2.55 Nc1ncccc1C2CC2 271570a_100011220607_100000045569 [0,0,1,1,0,0|2,0,0]=4 2153 B11R2.55 Nc1nccnc1C2CC2 271570a_100011220607_100000747729 [0,0,1,1,0,0|1,0,0]=3 2154 B11R2.55 O=c1[nH]ccnc1C2CC2 271570a_100011220607_100000763361 [0,0,1,1,0,0|1,0,1]=4 2155 B11R2.55 Oc1cccnc1C2CC2 271570a_100011220607_100000034122 [0,0,1,1,0,0|2,0,0]=4 2156 B11R2.55 Oc1ncccc1C2CC2 271570a_203496583355_100009851976 [0,0,1,1,0,0|2,0,0]=4 2157 B9R1.11 CC(N[13CH3])c1cccs1 2230a_100000703493_200025704644 [0,0,1,0,1,0|2,0,0]=4 2158 B9R1.11 CC(N[13CH3])c1ccoc1 2230a_100000690049_200025704644 [0,0,1,0,1,0|2,0,0]=4 2159 B9R1.11 CC(N[13CH3])c1ccsc1 2230a_100000748604_200025704644 [0,0,1,0,1,0|2,0,0]=4 2160 B9R1.11 CC(N[13CH3])c1nccs1 2230a_100000725601_200025704644 [0,0,1,0,1,0|2,0,0]=4 2161 B9R1.11 CC(O[13CH3])c1ccsc1 34a_100011350980_200025704644 [0,0,1,0,1,0|2,0,0]=4 2162 B9R1.11 CC(O[13CH3])c1ccsc1 7a_100011350980_200025704644 [0,0,1,0,1,0|2,0,0]=4 2163 B9R1.11 CC(O[13CH3])c1nccs1 7a_100000751044_200025704644 [0,0,1,0,1,0|2,0,0]=4 2164 B9R1.11 CNC(C)c1cc[nH]c1 269862a_106832991636_100000753940 [0,0,1,0,1,0|1,0,1]=4 2165 B9R1.11 CNC(C)c1ccc[nH]1 269862a_106832991636_100000183661 [0,0,1,0,1,0|1,0,1]=4 2166 B9R1.11 CNC(C)c1cccs1 2230a_100000703493_200000210301 [0,0,1,0,1,0|2,0,0]=4 2167 B9R1.11 CNC(C)c1cccs1 269862a_106832991636_100000185736 [0,0,1,0,1,0|2,0,0]=4 2168 B9R1.11 CNC(C)c1ccn[nH]1 269862a_106832991636_100000747476 [0,0,1,0,1,0|2,0,0]=4 2169 B9R1.11 CNC(C)c1ccoc1 2230a_100000690049_200000210301 [0,0,1,0,1,0|2,0,0]=4 2170 B9R1.11 CNC(C)c1ccsc1 2230a_100000748604_200000210301 [0,0,1,0,1,0|2,0,0]=4 2171 B9R1.11 CNC(C)c1ccsc1 269862a_106832991636_100000747891 [0,0,1,0,1,0|2,0,0]=4 2172 B9R1.11 CNC(C)c1cn[nH]c1 269862a_106832991636_100000725364 [0,0,1,0,1,0|2,0,0]=4 2173 B9R1.11 CNC(C)c1cscn1 269862a_106832991636_100000693406 [0,0,1,0,1,0|2,0,0]=4 2174 B9R1.11 CNC(C)c1ncc[nH]1 269862a_106832991636_100000718901 [0,0,1,0,1,0|1,0,1]=4 2175 B9R1.11 CNC(C)c1nccs1 2230a_100000725601_200000210301 [0,0,1,0,1,0|2,0,0]=4 2176 B9R1.11 CN[C@H](C)c1ccco1 2230a_100160469435_200000210301 [0,0,1,0,1,0|2,0,0]=4 2177 B9R1.11 COC(C)c1ccsc1 34a_100011350980_200000210301 [0,0,1,0,1,0|2,0,0]=4 2178 B9R1.11 COC(C)c1ccsc1 7a_100011350980_200000210301 [0,0,1,0,1,0|2,0,0]=4 2179 B9R1.11 COC(C)c1nccs1 7a_100000751044_200000210301 [0,0,1,0,1,0|2,0,0]=4 2180 B9R1.11 CO[C@@H](C)c1ccco1 34a_100000755270_200000210301 [0,0,1,0,1,0|2,0,0]=4 2181 B9R1.11 CO[C@@H](C)c1ccco1 7a_100000755270_200000210301 [0,0,1,0,1,0|2,0,0]=4 2182 B9R1.11 CO[C@H](C)c1cccs1 7a_100000750433_200000210301 [0,0,1,0,1,0|2,0,0]=4 2183 B9R1.11 C[C@@H](N[13CH3])c1ccco1 2230a_100160469435_200025704644 [0,0,1,0,1,0|2,0,0]=4 2184 B9R1.11 C[C@@H](O[13CH3])c1cccs1 7a_100000750433_200025704644 [0,0,1,0,1,0|2,0,0]=4 2185 B9R1.11 C[C@H](O[13CH3])c1ccco1 34a_100000755270_200025704644 [0,0,1,0,1,0|2,0,0]=4 2186 B9R1.11 C[C@H](O[13CH3])c1ccco1 7a_100000755270_200025704644 [0,0,1,0,1,0|2,0,0]=4 2187 B9R1.41 CC(C)n1ccnc1O 271570a_203496583355_100009820211 [0,0,1,0,1,0|2,0,0]=4 2188 B9R1.41 CC(C)n1nccc1O 271570a_203496583355_100010264481 [0,0,1,0,1,0|2,0,0]=4 2189 B9R1.41 CC(C)n1ncnc1O 271570a_203496583355_100009989917 [0,0,1,0,1,0|2,0,0]=4 2190 B9R1.41 CN(C)c1ncnn1C 27a_100102631434_100000732653 [0,0,1,0,1,0|2,0,0]=4 2191 B11R1.86 CC(=Cc1cccnc1C)C 271570a_100102525489_100000751574 [0,0,1,0,0,1|1,0,1]=4 2192 B11R1.86 CC(=Cc1ncccc1C)C 271570a_100102525489_100000751373 [0,0,1,0,0,1|1,0,1]=4 2193 B11R1.86 CC(=Cc1nccnc1C)C 271570a_100102525489_100011999405 [0,0,1,0,0,1|0,0,1]=3 2194 B11R1.86 CC(=Cc1nccnc1F)C 271570a_100102525489_200010125657 [0,0,1,0,0,1|1,0,1]=4 2195 B11R1.86 CC(=Cc1nccnc1N)C 271570a_100102525489_100000747729 [0,0,1,0,0,1|1,0,1]=4 2196 B11R1.86 CC(C)Nc1ncccc1Br 27a_100138425928_100000696092 [0,0,1,0,0,1|2,0,0]=4 2197 B11R1.86 CC(C)Nc1nccnc1F 27a_100138425928_200010125657 [0,0,1,0,0,1|1,0,0]=3 2198 B11R1.86 CC(C)Oc1cccnc1Br 34a_100000744436_100000210206 [0,0,1,0,0,1|2,0,0]=4 2199 B11R1.86 CC(C)Oc1cccnc1Br 7a_100000744436_100000210206 [0,0,1,0,0,1|2,0,0]=4 2200 B11R1.86 CC(C)Oc1cccnc1Cl 34a_100000757616_100000210206 [0,0,1,0,0,1|2,0,0]=4 2201 B11R1.86 CC(C)Oc1cccnc1Cl 7a_100000757616_100000210206 [0,0,1,0,0,1|2,0,0]=4 2202 B11R1.86 CC(C)Oc1cccnc1F 34a_100000061740_100000210206 [0,0,1,0,0,1|2,0,0]=4 2203 B11R1.86 CC(C)Oc1cccnc1F 7a_100000061740_100000210206 [0,0,1,0,0,1|2,0,0]=4 2204 B11R1.86 CC(C)Oc1cccnc1I 34a_100000034122_100000210206 [0,0,1,0,0,1|2,0,0]=4 2205 B11R1.86 CC(C)Oc1cccnc1I 7a_100000034122_100000210206 [0,0,1,0,0,1|2,0,0]=4 2206 B11R1.86 CC(C)Oc1cccnc1N 34a_100000211975_100000210206 [0,0,1,0,0,1|2,0,0]=4 2207 B11R1.86 CC(C)Oc1cccnc1N 7a_100000211975_100000210206 [0,0,1,0,0,1|2,0,0]=4 2208 B11R1.86 CC(C)Oc1ncccc1Cl 34a_100011290957_100000210206 [0,0,1,0,0,1|2,0,0]=4 2209 B11R1.86 CC(C)Oc1ncccc1F 34a_100011219419_100000210206 [0,0,1,0,0,1|2,0,0]=4 2210 B11R1.86 CC(C)Oc1ncccc1N 34a_100000746358_100000210206 [0,0,1,0,0,1|2,0,0]=4 2211 B11R1.86 CC(C)Oc1ncccc1O 271570a_203496583355_200011465186 [0,0,1,0,0,1|2,0,0]=4 2212 B11R1.86 CC(C)Sc1cccnc1Br 62a_100000210206_100010202626 [0,0,1,0,0,1|2,0,0]=4 2213 B11R1.86 CC(C)Sc1cccnc1Br 62a_100010202626_100000210206 [0,0,1,0,0,1|2,0,0]=4 2214 B11R1.86 CC(C)Sc1cccnc1Cl 62a_100000036424_100000210206 [0,0,1,0,0,1|2,0,0]=4 2215 B11R1.86 CC(C)Sc1cccnc1Cl 62a_100000210206_100000036424 [0,0,1,0,0,1|2,0,0]=4 2216 B11R1.86 CC(C)Sc1cccnc1F 62a_100000210206_100009816115 [0,0,1,0,0,1|2,0,0]=4 2217 B11R1.86 CC(C)Sc1cccnc1F 62a_100009816115_100000210206 [0,0,1,0,0,1|2,0,0]=4 2218 B11R1.86 CC(C)Sc1cccnc1N 62a_100000045569_100000210206 [0,0,1,0,0,1|2,0,0]=4 2219 B11R1.86 CC(C)Sc1cccnc1N 62a_100000210206_100000045569 [0,0,1,0,0,1|2,0,0]=4 2220 B11R1.86 CC(C)Sc1cccnc1O 62a_100000210206_100000760158 [0,0,1,0,0,1|2,0,0]=4 2221 B11R1.86 CC(C)Sc1cccnc1O 62a_100000760158_100000210206 [0,0,1,0,0,1|2,0,0]=4 2222 B11R1.86 CC(C)Sc1ncc[nH]c1=O 62a_100000210206_100000763361 [0,0,1,0,0,1|1,0,1]=4 2223 B11R1.86 CC(C)Sc1ncccc1Br 62a_100000210206_100000696092 [0,0,1,0,0,1|2,0,0]=4 2224 B11R1.86 CC(C)Sc1ncccc1Br 62a_100000696092_100000210206 [0,0,1,0,0,1|2,0,0]=4 2225 B11R1.86 CC(C)Sc1ncccc1Cl 62a_100000210206_100011356963 [0,0,1,0,0,1|2,0,0]=4 2226 B11R1.86 CC(C)Sc1ncccc1Cl 62a_100011356963_100000210206 [0,0,1,0,0,1|2,0,0]=4 2227 B11R1.86 CC(C)Sc1ncccc1F 62a_100000210206_100000685392 [0,0,1,0,0,1|2,0,0]=4 2228 B11R1.86 CC(C)Sc1ncccc1F 62a_100000685392_100000210206 [0,0,1,0,0,1|2,0,0]=4 2229 B11R1.86 CC(C)Sc1ncccc1N 62a_100000210206_100000688686 [0,0,1,0,0,1|2,0,0]=4 2230 B11R1.86 CC(C)Sc1ncccc1N 62a_100000688686_100000210206 [0,0,1,0,0,1|2,0,0]=4 2231 B11R1.86 CC(C)Sc1ncccc1O 62a_100000034122_100000210206 [0,0,1,0,0,1|2,0,0]=4 2232 B11R1.86 CC(C)Sc1ncccc1O 62a_100000210206_100000034122 [0,0,1,0,0,1|2,0,0]=4 2233 B11R1.86 CC(C)Sc1nccnc1Cl 62a_100000210206_100010886584 [0,0,1,0,0,1|1,0,0]=3 2234 B11R1.86 CC(C)Sc1nccnc1Cl 62a_100010886584_100000210206 [0,0,1,0,0,1|1,0,0]=3 2235 B11R1.86 CC(C)Sc1nccnc1F 62a_100000210206_200010125657 [0,0,1,0,0,1|1,0,0]=3 2236 B11R1.86 CC(C)Sc1nccnc1F 62a_200010125657_100000210206 [0,0,1,0,0,1|1,0,0]=3 2237 B11R1.86 CC(C)Sc1nccnc1N 62a_100000210206_100000747729 [0,0,1,0,0,1|1,0,0]=3 2238 B11R1.86 CC(C)Sc1nccnc1N 62a_100000747729_100000210206 [0,0,1,0,0,1|1,0,0]=3 2239 B11R1.86 Cc1ccccc1NC(C)C 34a_100015192222_100000210206 [0,0,1,0,0,1|2,0,0]=4 2240 B11R1.86 Cc1ccccc1OC(C)C 34a_100000210338_100000210206 [0,0,1,0,0,1|2,0,0]=4 2241 B11R1.86 Cc1ccccc1OC(C)C 7a_100000210338_100000210206 [0,0,1,0,0,1|2,0,0]=4 2242 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210206_100000210755 [0,0,1,0,0,1|2,0,0]=4 2243 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210755_100000210206 [0,0,1,0,0,1|2,0,0]=4 2244 B11R1.86 Cc1cccnc1CN(C)C 2230a_100102631434_100000696600 [0,0,1,0,0,1|2,0,0]=4 2245 B11R1.86 Cc1cccnc1CN(C)C 269982a_100102631434_100000696600 [0,0,1,0,0,1|2,0,0]=4 2246 B11R1.86 Cc1cccnc1CN(C)C 270004a_100102631434_100000698913 [0,0,1,0,0,1|2,0,0]=4 2247 B11R1.86 Cc1cccnc1SC(C)C 62a_100000210206_100000751373 [0,0,1,0,0,1|1,0,0]=3 2248 B11R1.86 Cc1cccnc1SC(C)C 62a_100000751373_100000210206 [0,0,1,0,0,1|1,0,0]=3 2249 B11R1.86 Cc1ccnnc1NC(C)C 27a_100138425928_100000089043 [0,0,1,0,0,1|2,0,0]=4 2250 B11R1.86 Cc1ccnnc1SC(C)C 62a_100000210206_100000089043 [0,0,1,0,0,1|2,0,0]=4 2251 B11R1.86 Cc1cncnc1NC(C)C 27a_100138425928_100011998708 [0,0,1,0,0,1|2,0,0]=4 2252 B11R1.86 Cc1cncnc1SC(C)C 62a_100000210206_100011998708 [0,0,1,0,0,1|2,0,0]=4 2253 B11R1.86 Cc1cncnc1SC(C)C 62a_100011998708_100000210206 [0,0,1,0,0,1|2,0,0]=4 2254 B11R1.86 Cc1ncccc1CN(C)C 2230a_100102631434_100000732876 [0,0,1,0,0,1|2,0,0]=4 2255 B11R1.86 Cc1ncccc1CN(C)C 2230a_200011875998_200000210301 [0,0,1,0,0,1|2,0,0]=4 2256 B11R1.86 Cc1ncccc1CN(C)C 269982a_100102631434_100000732876 [0,0,1,0,0,1|2,0,0]=4 2257 B11R1.86 Cc1ncccc1CN(C)C 269982a_200011875998_200000210301 [0,0,1,0,0,1|2,0,0]=4 2258 B11R1.86 Cc1ncccc1CN(C)C 270004a_100102631434_100000751968 [0,0,1,0,0,1|2,0,0]=4 2259 B11R1.86 Cc1ncccc1CN(C)[13CH3] 2230a_200011875998_200025704644 [0,0,1,0,0,1|2,0,0]=4 2260 B11R1.86 Cc1ncccc1CN(C)[13CH3] 269982a_200011875998_200025704644 [0,0,1,0,0,1|2,0,0]=4 2261 B11R1.86 Cc1ncccc1OC(C)C 34a_100000745507_100000210206 [0,0,1,0,0,1|1,0,0]=3 2262 B11R1.86 Cc1ncccc1OC(C)C 7a_100000745507_100000210206 [0,0,1,0,0,1|1,0,0]=3 2263 B11R1.86 Cc1ncccc1SC(C)C 62a_100000210206_100000751574 [0,0,1,0,0,1|1,0,0]=3 2264 B11R1.86 Cc1ncccc1SC(C)C 62a_100000751574_100000210206 [0,0,1,0,0,1|1,0,0]=3 2265 B11R1.86 Cc1nccnc1CN(C)C 270004a_100102631434_100000050726 [0,0,1,0,0,1|1,0,0]=3 2266 B11R1.86 Cc1nccnc1NC(C)C 27a_100138425928_100011999405 [0,0,1,0,0,1|0,0,0]=2 2267 B11R1.86 Cc1nccnc1OC(C)C 34a_100000766352_100000210206 [0,0,1,0,0,1|0,0,0]=2 2268 B11R1.86 Cc1nccnc1SC(C)C 62a_100000210206_100011999405 [0,0,1,0,0,1|0,0,0]=2 2269 B11R1.86 Cc1nccnc1SC(C)C 62a_100011999405_100000210206 [0,0,1,0,0,1|0,0,0]=2 2270 B11R1.86 Cc1ncncc1SC(C)C 62a_100000210206_100009819671 [0,0,1,0,0,1|2,0,0]=4 2271 B11R1.86 Cc1ncncc1SC(C)C 62a_100009819671_100000210206 [0,0,1,0,0,1|2,0,0]=4