0 B11R1.12 C#CC(OC)c1ccccc1 34a_100011219616_200000210301 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.12 C#CC(OC)c1ccccc1 7a_100011219616_200000210301 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.12 C#CC(O[13CH3])c1ccccc1 34a_100011219616_200025704644 [0,0,0,0,0,0|1,0,1]=2 3 B11R1.12 C#CC(O[13CH3])c1ccccc1 7a_100011219616_200025704644 [0,0,0,0,0,0|1,0,1]=2 4 B11R1.12 C=CC(NC)c1ccccc1 2230a_106832991635_200000085779 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.12 C=CC(OC)c1ccccc1 34a_100011215659_200000210301 [0,0,0,0,0,0|1,0,1]=2 6 B11R1.12 C=CC(OC)c1ccccc1 7a_100011215659_200000210301 [0,0,0,0,0,0|1,0,1]=2 7 B11R1.12 C=CC(O[13CH3])c1ccccc1 34a_100011215659_200025704644 [0,0,0,0,0,0|1,0,1]=2 8 B11R1.12 C=CC(O[13CH3])c1ccccc1 7a_100011215659_200025704644 [0,0,0,0,0,0|1,0,1]=2 9 B11R1.12 C=CC(SC)c1ccccc1 62a_200000085779_200000210301 [0,0,0,0,0,0|1,1,1]=3 10 B11R1.12 C=CC(SC)c1ccccc1 62a_200000210301_200000085779 [0,0,0,0,0,0|1,1,1]=3 11 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200000085779_200025704644 [0,0,0,0,0,0|1,1,1]=3 12 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200025704644_200000085779 [0,0,0,0,0,0|1,1,1]=3 13 B11R1.12 CCC(NC)c1ccccc1 2230a_100000737752_200000210301 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.12 CCC(NC)c1ccccc1 269862a_106832991636_100000210124 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.12 CCC(NC)c1ccccn1 2230a_100015186561_200000210301 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.12 CCC(NC)c1ccccn1 269862a_106832991636_100000748178 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.12 CCC(NC)c1cccnc1 2230a_100000246009_200000210301 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.12 CCC(NC)c1cccnc1 269862a_106832991636_100011218761 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.12 CCC(NC)c1ccncc1 269862a_106832991636_100011216016 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.12 CCC(NC)c1cnccn1 2230a_200016994365_200000210301 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.12 CCC(NC)c1ncccn1 269862a_106832991636_200011350823 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.12 CCC(NC)c1ncccn1 270004a_106832991635_200011350823 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.12 CCC(N[13CH3])c1ccccc1 2230a_100000737752_200025704644 [0,0,0,0,0,0|2,0,0]=2 24 B11R1.12 CCC(N[13CH3])c1ccccn1 2230a_100015186561_200025704644 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.12 CCC(N[13CH3])c1cccnc1 2230a_100000246009_200025704644 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.12 CCC(N[13CH3])c1cnccn1 2230a_200016994365_200025704644 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [0,0,0,0,0,0|1,0,0]=1 28 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [0,0,0,0,0,0|1,0,0]=1 29 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [0,0,0,0,0,0|1,0,0]=1 30 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [0,0,0,0,0,0|1,0,0]=1 31 B11R1.12 CCN(CC)c1ccccc1 2230a_100000210013_100000210202 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.12 CCN(CC)c1ccccc1 269982a_100000210013_100000204670 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.12 CCN(CC)c1ccccc1 34a_100000210013_100000210202 [0,0,0,0,0,0|3,0,0]=3 34 B11R1.12 CCN(CF)c1ccccc1 269982a_100000210013_100015361967 [0,0,0,0,0,0|4,0,0]=4 35 B11R1.12 CCN(CF)c1ccccc1 34a_100000210013_100015361967 [0,0,0,0,0,0|4,0,0]=4 36 B11R1.12 CNC(CO)c1ccccn1 2230a_100015196888_200000210301 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.12 CN[C@H](CO)c1ccccc1 2230a_100000751927_200000210301 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.12 CN[C@H](CO)c1ccccc1 34a_100000751927_200000210301 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.12 CN[C@H](CO)c1ccncc1 2230a_100138412524_200000210301 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.12 COC(C#N)c1ccccc1 7a_100011217353_200000210301 [0,0,0,0,0,0|2,0,0]=2 41 B11R1.12 COC(CBr)c1ccccc1 7a_100000185958_200000210301 [0,0,0,0,0,0|2,0,0]=2 42 B11R1.12 COC(CN)c1ccccc1 34a_100000210709_200000210301 [0,0,0,0,0,0|2,0,0]=2 43 B11R1.12 CO[C@H](CCl)c1ccccc1 34a_100011933945_200000210301 [0,0,0,0,0,0|2,0,0]=2 44 B11R1.12 CO[C@H](CCl)c1ccccc1 7a_100011933945_200000210301 [0,0,0,0,0,0|2,0,0]=2 45 B11R1.12 [13CH3]NC(CO)c1ccccn1 2230a_100015196888_200025704644 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 2230a_100000751927_200025704644 [0,0,0,0,0,0|3,0,0]=3 47 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 34a_100000751927_200025704644 [0,0,0,0,0,0|3,0,0]=3 48 B11R1.12 [13CH3]N[C@H](CO)c1ccncc1 2230a_100138412524_200025704644 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.12 [13CH3]OC(C#N)c1ccccc1 7a_100011217353_200025704644 [0,0,0,0,0,0|2,0,0]=2 50 B11R1.12 [13CH3]OC(CBr)c1ccccc1 7a_100000185958_200025704644 [0,0,0,0,0,0|2,0,0]=2 51 B11R1.12 [13CH3]OC(CN)c1ccccc1 34a_100000210709_200025704644 [0,0,0,0,0,0|2,0,0]=2 52 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 34a_100011933945_200025704644 [0,0,0,0,0,0|2,0,0]=2 53 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 7a_100011933945_200025704644 [0,0,0,0,0,0|2,0,0]=2 54 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.15 CC(N[13CH3])c1ccncc1 2230a_100000181269_200025704644 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.15 CC(N[13CH3])c1ncccn1 2230a_100020641698_200025704644 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,0,0,0,0,0|0,1,0]=2 59 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,0,0,0,0,0|0,1,0]=2 60 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200000703233_200025704644 [1,0,0,0,0,0|2,1,0]=4 61 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200025704644_200000703233 [1,0,0,0,0,0|2,1,0]=4 62 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,0,0,0,0,0|1,0,2]=4 63 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,0,0,0,0,0|1,0,2]=4 75 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,0,0,0,0,0|1,0,2]=4 76 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,0,0,0,0,0|1,0,2]=4 77 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,0,0,0,0,0|1,0,2]=4 78 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,0,0,0,0,0|1,0,0]=2 79 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,0,0,0,0,0|1,0,0]=2 80 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,0,0,0,0,0|1,0,0]=2 81 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,0,0,0,0,0|1,0,0]=2 82 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.15 CNC(C)c1cccnn1 269862a_106832991636_100009866853 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.15 CNC(C)c1ccncc1 2230a_100000181269_200000210301 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.15 CNC(C)c1ccncc1 269862a_106832991636_100000185792 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.15 CNC(C)c1ccnnc1 269862a_106832991636_100012182992 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.15 CNC(C)c1cnccn1 2230a_106832991635_200000703233 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.15 CNC(C)c1cnccn1 269862a_106832991636_100000751083 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.15 CNC(C)c1cnccn1 7a_106832991635_200000703233 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.15 CNC(C)c1cncnc1 269862a_106832991636_100000757475 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.15 CNC(C)c1ncccn1 2230a_100020641698_200000210301 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.15 CNC(C)c1ncccn1 270004a_106832991635_100011350828 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,0,0,0,0,0|1,0,0]=2 97 B10R1.15 CN[C@H](C)c1cnccn1 2230a_100020589798_200000210301 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,0,0,0,0,0|0,0,0]=1 99 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,0,0,0,0,0|0,0,0]=1 100 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,0,0,0,0,0|0,0,0]=1 101 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,0,0,0,0,0|0,1,0]=2 102 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,0,0,0,0,0|0,1,0]=2 103 B10R1.15 CSC(C)c1cnccn1 62a_200000210301_200000703233 [1,0,0,0,0,0|2,1,0]=4 104 B10R1.15 CSC(C)c1cnccn1 62a_200000703233_200000210301 [1,0,0,0,0,0|2,1,0]=4 105 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,0,0,0,0,0|1,0,0]=2 106 B10R1.15 C[C@@H](N[13CH3])c1cnccn1 2230a_100020589798_200025704644 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,0,0,0,0,0|0,0,0]=1 108 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,0,0,0,0,0|0,0,0]=1 109 B12R1.3 C#CC(OCC)c1ccccc1 34a_100011219616_100000210202 [0,1,0,0,0,0|1,0,1]=3 110 B12R1.3 C#CC(OCC)c1ccccc1 7a_100011219616_100000210202 [0,1,0,0,0,0|1,0,1]=3 111 B12R1.3 C#CC(OCF)c1ccccc1 34a_100011219616_100015361967 [0,1,0,0,0,0|1,0,1]=3 112 B12R1.3 C#CC(OCF)c1ccccc1 7a_100011219616_100015361967 [0,1,0,0,0,0|1,0,1]=3 113 B12R1.3 C=CC(NCC)c1ccccc1 2230a_100015525214_200000085779 [0,1,0,0,0,0|2,0,1]=4 114 B12R1.3 C=CC(OCC)c1ccccc1 34a_100011215659_100000210202 [0,1,0,0,0,0|1,0,1]=3 115 B12R1.3 C=CC(OCC)c1ccccc1 7a_100011215659_100000210202 [0,1,0,0,0,0|1,0,1]=3 116 B12R1.3 C=CC(OCF)c1ccccc1 34a_100011215659_100015361967 [0,1,0,0,0,0|1,0,1]=3 117 B12R1.3 C=CC(OCF)c1ccccc1 7a_100011215659_100015361967 [0,1,0,0,0,0|1,0,1]=3 118 B12R1.3 C=CC(SCC)c1ccccc1 62a_100000210202_200000085779 [0,1,0,0,0,0|1,1,1]=4 119 B12R1.3 C=CC(SCC)c1ccccc1 62a_200000085779_100000210202 [0,1,0,0,0,0|1,1,1]=4 120 B12R1.3 C=CC(SCF)c1ccccc1 62a_100015361967_200000085779 [0,1,0,0,0,0|1,1,1]=4 121 B12R1.3 C=CC(SCF)c1ccccc1 62a_200000085779_100015361967 [0,1,0,0,0,0|1,1,1]=4 122 B12R1.3 C=CCC(OC)c1ccccc1 34a_100000687291_200000210301 [0,1,0,0,0,0|1,0,1]=3 123 B12R1.3 C=CCC(OC)c1ccccc1 7a_100000687291_200000210301 [0,1,0,0,0,0|1,0,1]=3 124 B12R1.3 C=CCC(O[13CH3])c1ccccc1 34a_100000687291_200025704644 [0,1,0,0,0,0|1,0,1]=3 125 B12R1.3 C=CCC(O[13CH3])c1ccccc1 7a_100000687291_200025704644 [0,1,0,0,0,0|1,0,1]=3 126 B12R1.3 CCC(CNC)c1ccccc1 270004a_106832991635_100000753018 [0,1,0,0,0,0|2,0,0]=3 127 B12R1.3 CCC(COC)c1ccccc1 34a_100000752371_200000210301 [0,1,0,0,0,0|1,0,0]=2 128 B12R1.3 CCC(COC)c1ccccc1 7a_100000752371_200000210301 [0,1,0,0,0,0|1,0,0]=2 129 B12R1.3 CCC(CO[13CH3])c1ccccc1 34a_100000752371_200025704644 [0,1,0,0,0,0|1,0,0]=2 130 B12R1.3 CCC(CO[13CH3])c1ccccc1 7a_100000752371_200025704644 [0,1,0,0,0,0|1,0,0]=2 131 B12R1.3 CCC(OCF)c1ccccc1 34a_100000698172_100015361967 [0,1,0,0,0,0|1,0,0]=2 132 B12R1.3 CCC(OCF)c1ccccc1 7a_100000698172_100015361967 [0,1,0,0,0,0|1,0,0]=2 133 B12R1.3 CCCC(NC)c1ccccc1 2230a_100000189686_200000210301 [0,1,0,0,0,0|2,0,0]=3 134 B12R1.3 CCCC(NC)c1ccccc1 269862a_106832991636_100000211045 [0,1,0,0,0,0|2,0,0]=3 135 B12R1.3 CCCC(NC)c1ccccc1 34a_100000189686_200000210301 [0,1,0,0,0,0|2,0,0]=3 136 B12R1.3 CCCC(NC)c1ccccn1 269862a_106832991636_100000751832 [0,1,0,0,0,0|3,0,0]=4 137 B12R1.3 CCCC(NC)c1cccnc1 2230a_100011351308_200000210301 [0,1,0,0,0,0|3,0,0]=4 138 B12R1.3 CCCC(NC)c1cccnc1 269862a_106832991636_100000700227 [0,1,0,0,0,0|3,0,0]=4 139 B12R1.3 CCCC(NC)c1ccncc1 269862a_106832991636_100011350605 [0,1,0,0,0,0|3,0,0]=4 140 B12R1.3 CCCC(N[13CH3])c1ccccc1 2230a_100000189686_200025704644 [0,1,0,0,0,0|2,0,0]=3 141 B12R1.3 CCCC(N[13CH3])c1ccccc1 34a_100000189686_200025704644 [0,1,0,0,0,0|2,0,0]=3 142 B12R1.3 CCCC(N[13CH3])c1cccnc1 2230a_100011351308_200025704644 [0,1,0,0,0,0|3,0,0]=4 143 B12R1.3 CCCC(OC)c1ccccc1 34a_100000747916_200000210301 [0,1,0,0,0,0|1,0,0]=2 144 B12R1.3 CCCC(OC)c1ccccc1 7a_100000747916_200000210301 [0,1,0,0,0,0|1,0,0]=2 145 B12R1.3 CCCC(O[13CH3])c1ccccc1 34a_100000747916_200025704644 [0,1,0,0,0,0|1,0,0]=2 146 B12R1.3 CCCC(O[13CH3])c1ccccc1 7a_100000747916_200025704644 [0,1,0,0,0,0|1,0,0]=2 147 B12R1.3 CCCN(CC)c1ccccc1 2230a_100000210013_100000210303 [0,1,0,0,0,0|3,0,0]=4 148 B12R1.3 CCCN(CC)c1ccccc1 2230a_200011218496_100000210202 [0,1,0,0,0,0|3,0,0]=4 149 B12R1.3 CCCN(CC)c1ccccc1 269982a_100000210013_100000210303 [0,1,0,0,0,0|3,0,0]=4 150 B12R1.3 CCCN(CC)c1ccccc1 269982a_200011218496_100000204670 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.3 CCCN(CC)c1ccccc1 34a_100000210013_100000210303 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.3 CCCN(CC)c1ccccc1 34a_200011218496_100000210202 [0,1,0,0,0,0|3,0,0]=4 153 B12R1.3 CCN(CCF)c1ccccc1 2230a_100000210013_100011217306 [0,1,0,0,0,0|3,0,0]=4 154 B12R1.3 CCN(CCF)c1ccccc1 269982a_100000210013_100011217306 [0,1,0,0,0,0|3,0,0]=4 155 B12R1.3 CCN(CCF)c1ccccc1 34a_100000210013_100011217306 [0,1,0,0,0,0|3,0,0]=4 156 B12R1.3 CCN(CCO)c1ccccc1 2230a_100000210013_100000211926 [0,1,0,0,0,0|3,0,0]=4 157 B12R1.3 CCN(CCO)c1ccccc1 2230a_100000211345_100000210202 [0,1,0,0,0,0|3,0,0]=4 158 B12R1.3 CCN(CCO)c1ccccc1 269982a_100000210013_100000211926 [0,1,0,0,0,0|3,0,0]=4 159 B12R1.3 CCN(CCO)c1ccccc1 269982a_100000211345_100000204670 [0,1,0,0,0,0|3,0,0]=4 160 B12R1.3 CCN(CCO)c1ccccc1 34a_100000210013_100000211926 [0,1,0,0,0,0|3,0,0]=4 161 B12R1.3 CCN(CCO)c1ccccc1 34a_100000211345_100000210202 [0,1,0,0,0,0|3,0,0]=4 162 B12R1.3 CCN(COC)c1ccccc1 2230a_100000210013_100000766300 [0,1,0,0,0,0|2,0,0]=3 163 B12R1.3 CCN(COC)c1ccccc1 269982a_100000210013_100000766300 [0,1,0,0,0,0|2,0,0]=3 164 B12R1.3 CCN(CSC)c1ccccc1 2230a_100000210013_100011218213 [0,1,0,0,0,0|2,1,0]=4 165 B12R1.3 CCN(CSC)c1ccccc1 269982a_100000210013_100011218213 [0,1,0,0,0,0|2,1,0]=4 166 B12R1.3 CCN(CSC)c1ccccc1 34a_100000210013_100011218213 [0,1,0,0,0,0|2,1,0]=4 167 B12R1.3 CCNC(CC)c1ccccc1 2230a_100000737752_100000210202 [0,1,0,0,0,0|2,0,0]=3 168 B12R1.3 CCNC(CC)c1ccccc1 269862a_100015525214_100000210124 [0,1,0,0,0,0|2,0,0]=3 169 B12R1.3 CCNC(CC)c1ccccn1 2230a_100015186561_100000210202 [0,1,0,0,0,0|3,0,0]=4 170 B12R1.3 CCNC(CC)c1ccccn1 269862a_100015525214_100000748178 [0,1,0,0,0,0|3,0,0]=4 171 B12R1.3 CCNC(CC)c1cccnc1 2230a_100000246009_100000210202 [0,1,0,0,0,0|3,0,0]=4 172 B12R1.3 CCNC(CC)c1cccnc1 269862a_100015525214_100011218761 [0,1,0,0,0,0|3,0,0]=4 173 B12R1.3 CCNC(CC)c1ccncc1 269862a_100015525214_100011216016 [0,1,0,0,0,0|3,0,0]=4 174 B12R1.3 CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210202 [0,1,0,0,0,0|3,0,0]=4 175 B12R1.3 CCN[C@H](CO)c1ccccc1 34a_100000751927_100000210202 [0,1,0,0,0,0|3,0,0]=4 176 B12R1.3 CCOC(C#N)c1ccccc1 7a_100011217353_100000210202 [0,1,0,0,0,0|2,0,0]=3 177 B12R1.3 CCOC(CBr)c1ccccc1 7a_100000185958_100000210202 [0,1,0,0,0,0|2,0,0]=3 178 B12R1.3 CCOC(CC)c1ccccc1 34a_100000698172_100000210202 [0,1,0,0,0,0|1,0,0]=2 179 B12R1.3 CCOC(CC)c1ccccc1 7a_100000698172_100000210202 [0,1,0,0,0,0|1,0,0]=2 180 B12R1.3 CCOC(CN)c1ccccc1 34a_100000210709_100000210202 [0,1,0,0,0,0|2,0,0]=3 181 B12R1.3 CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210202 [0,1,0,0,0,0|2,0,0]=3 182 B12R1.3 CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210202 [0,1,0,0,0,0|2,0,0]=3 183 B12R1.3 CNC(CCCl)c1ccccc1 2230a_106832991635_200010132975 [0,1,0,0,0,0|2,0,0]=3 184 B12R1.3 CNC(CCCl)c1ccccc1 7a_106832991635_200010132975 [0,1,0,0,0,0|2,0,0]=3 185 B12R1.3 CNC(COC)c1ccccc1 269862a_106832991636_100000765260 [0,1,0,0,0,0|1,0,0]=2 186 B12R1.3 CN[C@@H](CCO)c1ccccc1 2230a_100025705951_200000210301 [0,1,0,0,0,0|2,0,0]=3 187 B12R1.3 CN[C@H](COC)c1ccccc1 2230a_103619048568_200000210301 [0,1,0,0,0,0|1,0,0]=2 188 B12R1.3 CN[C@H](COC)c1ccccc1 34a_103619048568_200000210301 [0,1,0,0,0,0|1,0,0]=2 189 B12R1.3 COC(CCN)c1ccccc1 34a_100000763605_200000210301 [0,1,0,0,0,0|1,0,0]=2 190 B12R1.3 COC(CO[13CH3])c1ccccc1 34a_100011215540_200025704644 [0,1,0,0,0,0|0,0,0]=1 191 B12R1.3 COC(CO[13CH3])c1ccccc1 7a_100011215540_200025704644 [0,1,0,0,0,0|0,0,0]=1 192 B12R1.3 COCC(OC)c1ccccc1 34a_100011215540_200000210301 [0,1,0,0,0,0|0,0,0]=1 193 B12R1.3 COCC(OC)c1ccccc1 7a_100011215540_200000210301 [0,1,0,0,0,0|0,0,0]=1 194 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 2230a_103619048568_200025704644 [0,1,0,0,0,0|1,0,0]=2 195 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 34a_103619048568_200025704644 [0,1,0,0,0,0|1,0,0]=2 196 B12R1.3 CO[C@H](CC#N)c1ccccc1 7a_100009817555_200000210301 [0,1,0,0,0,0|1,0,1]=3 197 B12R1.3 CO[C@H](CCCl)c1ccccc1 34a_100000729684_200000210301 [0,1,0,0,0,0|1,0,0]=2 198 B12R1.3 CO[C@H](CCCl)c1ccccc1 7a_100000729684_200000210301 [0,1,0,0,0,0|1,0,0]=2 199 B12R1.3 CSC(CCCl)c1ccccc1 62a_200000210301_200010132975 [0,1,0,0,0,0|1,1,0]=3 200 B12R1.3 CSC(CCCl)c1ccccc1 62a_200010132975_200000210301 [0,1,0,0,0,0|1,1,0]=3 201 B12R1.3 FCOC(CBr)c1ccccc1 7a_100000185958_100015361967 [0,1,0,0,0,0|2,0,0]=3 202 B12R1.3 FCO[C@H](CCl)c1ccccc1 34a_100011933945_100015361967 [0,1,0,0,0,0|2,0,0]=3 203 B12R1.3 FCO[C@H](CCl)c1ccccc1 7a_100011933945_100015361967 [0,1,0,0,0,0|2,0,0]=3 204 B12R1.3 N#CC(OCF)c1ccccc1 7a_100011217353_100015361967 [0,1,0,0,0,0|2,0,0]=3 205 B12R1.3 NCC(OCF)c1ccccc1 34a_100000210709_100015361967 [0,1,0,0,0,0|2,0,0]=3 206 B12R1.3 OC[C@@H](NCF)c1ccccc1 34a_100000751927_100015361967 [0,1,0,0,0,0|3,0,0]=4 207 B12R1.3 [13CH3]N[C@@H](CCO)c1ccccc1 2230a_100025705951_200025704644 [0,1,0,0,0,0|2,0,0]=3 208 B12R1.3 [13CH3]OC(CCN)c1ccccc1 34a_100000763605_200025704644 [0,1,0,0,0,0|1,0,0]=2 209 B12R1.3 [13CH3]O[C@H](CC#N)c1ccccc1 7a_100009817555_200025704644 [0,1,0,0,0,0|1,0,1]=3 210 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 34a_100000729684_200025704644 [0,1,0,0,0,0|1,0,0]=2 211 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 7a_100000729684_200025704644 [0,1,0,0,0,0|1,0,0]=2 212 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200010132975_200025704644 [0,1,0,0,0,0|1,1,0]=3 213 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200025704644_200010132975 [0,1,0,0,0,0|1,1,0]=3 214 B12R1.12 C#CC(OC)c1ccc(cc1)Cl 34a_100011470666_200000210301 [0,1,0,0,0,0|1,0,1]=3 215 B12R1.12 C#CC(OC)c1ccc(cc1)Cl 7a_100011470666_200000210301 [0,1,0,0,0,0|1,0,1]=3 216 B12R1.12 C#CC(O[13CH3])c1ccc(cc1)Cl 34a_100011470666_200025704644 [0,1,0,0,0,0|1,0,1]=3 217 B12R1.12 C#CC(O[13CH3])c1ccc(cc1)Cl 7a_100011470666_200025704644 [0,1,0,0,0,0|1,0,1]=3 218 B12R1.12 CCC(NC)c1ccc(cc1)Br 269862a_106832991636_100000211647 [0,1,0,0,0,0|2,0,0]=3 219 B12R1.12 CCC(NC)c1ccc(cc1)C 2230a_100000749201_200000210301 [0,1,0,0,0,0|2,0,0]=3 220 B12R1.12 CCC(NC)c1ccc(cc1)C 269862a_106832991636_100000185863 [0,1,0,0,0,0|2,0,0]=3 221 B12R1.12 CCC(NC)c1ccc(cc1)C 34a_100000749201_200000210301 [0,1,0,0,0,0|2,0,0]=3 222 B12R1.12 CCC(NC)c1ccc(cc1)Cl 269862a_106832991636_100000210983 [0,1,0,0,0,0|2,0,0]=3 223 B12R1.12 CCC(NC)c1ccc(cc1)F 2230a_100011191751_200000210301 [0,1,0,0,0,0|2,0,0]=3 224 B12R1.12 CCC(NC)c1ccc(cc1)F 269862a_106832991636_100000211089 [0,1,0,0,0,0|2,0,0]=3 225 B12R1.12 CCC(NC)c1ccc(cc1)F 34a_100011191751_200000210301 [0,1,0,0,0,0|2,0,0]=3 226 B12R1.12 CCC(NC)c1ccc(cc1)I 269862a_106832991636_100000763097 [0,1,0,0,0,0|2,0,0]=3 227 B12R1.12 CCC(NC)c1ccc(cc1)O 271570a_203496583355_100000231127 [0,1,0,0,0,0|2,0,0]=3 228 B12R1.12 CCC(NC)c1ccc(cc1)O 34a_100015187210_200000210301 [0,1,0,0,0,0|2,0,0]=3 229 B12R1.12 CCC(NC)c1ccc(cn1)Br 269862a_106832991636_100012351654 [0,1,0,0,0,0|3,0,0]=4 230 B12R1.12 CCC(NC)c1ccc(cn1)Br 270004a_106832991635_100012351654 [0,1,0,0,0,0|3,0,0]=4 231 B12R1.12 CCC(NC)c1ccc(cn1)C 2230a_100015185231_200000210301 [0,1,0,0,0,0|3,0,0]=4 232 B12R1.12 CCC(N[13CH3])c1ccc(cc1)C 2230a_100000749201_200025704644 [0,1,0,0,0,0|2,0,0]=3 233 B12R1.12 CCC(N[13CH3])c1ccc(cc1)C 34a_100000749201_200025704644 [0,1,0,0,0,0|2,0,0]=3 234 B12R1.12 CCC(N[13CH3])c1ccc(cc1)F 2230a_100011191751_200025704644 [0,1,0,0,0,0|2,0,0]=3 235 B12R1.12 CCC(N[13CH3])c1ccc(cc1)F 34a_100011191751_200025704644 [0,1,0,0,0,0|2,0,0]=3 236 B12R1.12 CCC(N[13CH3])c1ccc(cc1)O 34a_100015187210_200025704644 [0,1,0,0,0,0|2,0,0]=3 237 B12R1.12 CCC(N[13CH3])c1ccc(cn1)C 2230a_100015185231_200025704644 [0,1,0,0,0,0|3,0,0]=4 238 B12R1.12 CCC(OC)c1ccc(cc1)Br 34a_100000246506_200000210301 [0,1,0,0,0,0|1,0,0]=2 239 B12R1.12 CCC(OC)c1ccc(cc1)Br 7a_100000246506_200000210301 [0,1,0,0,0,0|1,0,0]=2 240 B12R1.12 CCC(OC)c1ccc(cc1)C 34a_100000246521_200000210301 [0,1,0,0,0,0|1,0,0]=2 241 B12R1.12 CCC(OC)c1ccc(cc1)C 7a_100000246521_200000210301 [0,1,0,0,0,0|1,0,0]=2 242 B12R1.12 CCC(OC)c1ccc(cc1)Cl 34a_100000246471_200000210301 [0,1,0,0,0,0|1,0,0]=2 243 B12R1.12 CCC(OC)c1ccc(cc1)Cl 7a_100000246471_200000210301 [0,1,0,0,0,0|1,0,0]=2 244 B12R1.12 CCC(OC)c1ccc(cc1)F 34a_100000246474_200000210301 [0,1,0,0,0,0|1,0,0]=2 245 B12R1.12 CCC(OC)c1ccc(cc1)F 7a_100000246474_200000210301 [0,1,0,0,0,0|1,0,0]=2 246 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Br 34a_100000246506_200025704644 [0,1,0,0,0,0|1,0,0]=2 247 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Br 7a_100000246506_200025704644 [0,1,0,0,0,0|1,0,0]=2 248 B12R1.12 CCC(O[13CH3])c1ccc(cc1)C 34a_100000246521_200025704644 [0,1,0,0,0,0|1,0,0]=2 249 B12R1.12 CCC(O[13CH3])c1ccc(cc1)C 7a_100000246521_200025704644 [0,1,0,0,0,0|1,0,0]=2 250 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Cl 34a_100000246471_200025704644 [0,1,0,0,0,0|1,0,0]=2 251 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Cl 7a_100000246471_200025704644 [0,1,0,0,0,0|1,0,0]=2 252 B12R1.12 CCC(O[13CH3])c1ccc(cc1)F 34a_100000246474_200025704644 [0,1,0,0,0,0|1,0,0]=2 253 B12R1.12 CCC(O[13CH3])c1ccc(cc1)F 7a_100000246474_200025704644 [0,1,0,0,0,0|1,0,0]=2 254 B12R1.12 CCN(CC)c1ccc(cc1)Br 2230a_100000219632_100000210202 [0,1,0,0,0,0|3,0,0]=4 255 B12R1.12 CCN(CC)c1ccc(cc1)Br 269982a_100000219632_100000204670 [0,1,0,0,0,0|3,0,0]=4 256 B12R1.12 CCN(CC)c1ccc(cc1)Br 34a_100000219632_100000210202 [0,1,0,0,0,0|3,0,0]=4 257 B12R1.12 CCN(CC)c1ccc(cc1)C 2230a_100000219985_100000210202 [0,1,0,0,0,0|3,0,0]=4 258 B12R1.12 CCN(CC)c1ccc(cc1)C 269982a_100000219985_100000204670 [0,1,0,0,0,0|3,0,0]=4 259 B12R1.12 CCN(CC)c1ccc(cc1)C 34a_100000219985_100000210202 [0,1,0,0,0,0|3,0,0]=4 260 B12R1.12 CCN(CC)c1ccc(cc1)Cl 2230a_100000220165_100000210202 [0,1,0,0,0,0|3,0,0]=4 261 B12R1.12 CCN(CC)c1ccc(cc1)Cl 269982a_100000220165_100000204670 [0,1,0,0,0,0|3,0,0]=4 262 B12R1.12 CCN(CC)c1ccc(cc1)Cl 34a_100000220165_100000210202 [0,1,0,0,0,0|3,0,0]=4 263 B12R1.12 CCN(CC)c1ccc(cc1)F 2230a_100102640331_100000210202 [0,1,0,0,0,0|3,0,0]=4 264 B12R1.12 CCN(CC)c1ccc(cc1)F 269982a_100102640331_100000204670 [0,1,0,0,0,0|3,0,0]=4 265 B12R1.12 CCN(CC)c1ccc(cc1)F 34a_100102640331_100000210202 [0,1,0,0,0,0|3,0,0]=4 266 B12R1.12 CCN(CC)c1ccc(cc1)O 2230a_100011337800_100000210202 [0,1,0,0,0,0|3,0,0]=4 267 B12R1.12 CCN(CC)c1ccc(cc1)O 269982a_100011337800_100000204670 [0,1,0,0,0,0|3,0,0]=4 268 B12R1.12 CCN(CC)c1ccc(cc1)O 271570a_203496583355_100011216415 [0,1,0,0,0,0|3,0,0]=4 269 B12R1.12 CCN(CC)c1ccc(cc1)O 34a_100011337800_100000210202 [0,1,0,0,0,0|3,0,0]=4 270 B12R1.12 CC[C@H](NC)c1ccc(cc1)Br 2230a_100025736560_200000210301 [0,1,0,0,0,0|2,0,0]=3 271 B12R1.12 CC[C@H](NC)c1ccc(cc1)Br 34a_100025736560_200000210301 [0,1,0,0,0,0|2,0,0]=3 272 B12R1.12 CC[C@H](NC)c1ccc(cc1)Cl 2230a_100015186824_200000210301 [0,1,0,0,0,0|2,0,0]=3 273 B12R1.12 CC[C@H](NC)c1ccc(cc1)Cl 34a_100015186824_200000210301 [0,1,0,0,0,0|2,0,0]=3 274 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Br 2230a_100025736560_200025704644 [0,1,0,0,0,0|2,0,0]=3 275 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Br 34a_100025736560_200025704644 [0,1,0,0,0,0|2,0,0]=3 276 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015186824_200025704644 [0,1,0,0,0,0|2,0,0]=3 277 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Cl 34a_100015186824_200025704644 [0,1,0,0,0,0|2,0,0]=3 278 B12R1.12 CNC(C#N)c1ccc(cc1)Cl 2230a_100000747793_200000210301 [0,1,0,0,0,0|3,0,0]=4 279 B12R1.12 CNC(C#N)c1ccc(cc1)F 2230a_100020612109_200000210301 [0,1,0,0,0,0|3,0,0]=4 280 B12R1.12 CNC(C#N)c1ccc(cc1)F 34a_100020612109_200000210301 [0,1,0,0,0,0|3,0,0]=4 281 B12R1.12 CNC(CO)c1ccc(cc1)Br 2230a_100000734186_200000210301 [0,1,0,0,0,0|3,0,0]=4 282 B12R1.12 CNC(CO)c1ccc(cc1)Br 34a_100000734186_200000210301 [0,1,0,0,0,0|3,0,0]=4 283 B12R1.12 CNC(CO)c1ccc(cc1)F 2230a_100000705410_200000210301 [0,1,0,0,0,0|3,0,0]=4 284 B12R1.12 CNC(CO)c1ccc(cc1)F 34a_100000705410_200000210301 [0,1,0,0,0,0|3,0,0]=4 285 B12R1.12 CN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_200000210301 [0,1,0,0,0,0|3,0,0]=4 286 B12R1.12 CN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_200000210301 [0,1,0,0,0,0|3,0,0]=4 287 B12R1.12 CN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_200000210301 [0,1,0,0,0,0|3,0,0]=4 288 B12R1.12 CN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_200000210301 [0,1,0,0,0,0|3,0,0]=4 289 B12R1.12 COC(CCl)c1ccc(cc1)Cl 34a_200011996143_200000210301 [0,1,0,0,0,0|2,0,0]=3 290 B12R1.12 COC(CCl)c1ccc(cc1)Cl 7a_200011996143_200000210301 [0,1,0,0,0,0|2,0,0]=3 291 B12R1.12 COC(CN)c1ccc(cc1)Br 34a_100020626992_200000210301 [0,1,0,0,0,0|2,0,0]=3 292 B12R1.12 COC(CN)c1ccc(cc1)Cl 34a_100000736658_200000210301 [0,1,0,0,0,0|2,0,0]=3 293 B12R1.12 COC(OC)c1ccc(cc1)O 271570a_203496583355_100009813454 [0,1,0,0,0,0|0,0,0]=1 294 B12R1.12 COC(OC)c1ccc(cn1)O 271570a_203496583355_100010270258 [0,1,0,0,0,0|1,0,0]=2 295 B12R1.12 CO[C@@H](C#N)c1ccc(cc1)C 34a_200009814964_200000210301 [0,1,0,0,0,0|2,0,0]=3 296 B12R1.12 CO[C@@H](C#N)c1ccc(cc1)C 7a_200009814964_200000210301 [0,1,0,0,0,0|2,0,0]=3 297 B12R1.12 CO[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_200000210301 [0,1,0,0,0,0|2,0,0]=3 298 B12R1.12 CO[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_200000210301 [0,1,0,0,0,0|2,0,0]=3 299 B12R1.12 Cc1ccc(cc1)[C@H](C#N)O[13CH3] 34a_200009814964_200025704644 [0,1,0,0,0,0|2,0,0]=3 300 B12R1.12 Cc1ccc(cc1)[C@H](C#N)O[13CH3] 7a_200009814964_200025704644 [0,1,0,0,0,0|2,0,0]=3 301 B12R1.12 Cc1ccc(cc1)[C@H](CO)N[13CH3] 2230a_100009818840_200025704644 [0,1,0,0,0,0|3,0,0]=4 302 B12R1.12 Cc1ccc(cc1)[C@H](CO)N[13CH3] 34a_100009818840_200025704644 [0,1,0,0,0,0|3,0,0]=4 303 B12R1.12 [13CH3]NC(C#N)c1ccc(cc1)Cl 2230a_100000747793_200025704644 [0,1,0,0,0,0|3,0,0]=4 304 B12R1.12 [13CH3]NC(C#N)c1ccc(cc1)F 2230a_100020612109_200025704644 [0,1,0,0,0,0|3,0,0]=4 305 B12R1.12 [13CH3]NC(C#N)c1ccc(cc1)F 34a_100020612109_200025704644 [0,1,0,0,0,0|3,0,0]=4 306 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)Br 2230a_100000734186_200025704644 [0,1,0,0,0,0|3,0,0]=4 307 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)Br 34a_100000734186_200025704644 [0,1,0,0,0,0|3,0,0]=4 308 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)F 2230a_100000705410_200025704644 [0,1,0,0,0,0|3,0,0]=4 309 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)F 34a_100000705410_200025704644 [0,1,0,0,0,0|3,0,0]=4 310 B12R1.12 [13CH3]N[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_200025704644 [0,1,0,0,0,0|3,0,0]=4 311 B12R1.12 [13CH3]N[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_200025704644 [0,1,0,0,0,0|3,0,0]=4 312 B12R1.12 [13CH3]OC(CCl)c1ccc(cc1)Cl 34a_200011996143_200025704644 [0,1,0,0,0,0|2,0,0]=3 313 B12R1.12 [13CH3]OC(CCl)c1ccc(cc1)Cl 7a_200011996143_200025704644 [0,1,0,0,0,0|2,0,0]=3 314 B12R1.12 [13CH3]OC(CN)c1ccc(cc1)Br 34a_100020626992_200025704644 [0,1,0,0,0,0|2,0,0]=3 315 B12R1.12 [13CH3]OC(CN)c1ccc(cc1)Cl 34a_100000736658_200025704644 [0,1,0,0,0,0|2,0,0]=3 316 B12R1.12 [13CH3]O[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_200025704644 [0,1,0,0,0,0|2,0,0]=3 317 B12R1.12 [13CH3]O[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_200025704644 [0,1,0,0,0,0|2,0,0]=3 318 B12R1.13 CCC(NC)c1cc(ccn1)Cl 269862a_106832991636_200000094848 [0,1,0,0,0,0|3,0,0]=4 319 B12R1.13 CCC(NC)c1cc(ccn1)Cl 270004a_106832991635_200000094848 [0,1,0,0,0,0|3,0,0]=4 320 B12R1.13 CCC(NC)c1cccc(c1)Br 269862a_106832991636_100000211677 [0,1,0,0,0,0|2,0,0]=3 321 B12R1.13 CCC(NC)c1cccc(c1)C 269862a_106832991636_100000730664 [0,1,0,0,0,0|2,0,0]=3 322 B12R1.13 CCC(NC)c1cccc(c1)Cl 2230a_100000737531_200000210301 [0,1,0,0,0,0|2,0,0]=3 323 B12R1.13 CCC(NC)c1cccc(c1)Cl 269862a_106832991636_100000211052 [0,1,0,0,0,0|2,0,0]=3 324 B12R1.13 CCC(NC)c1cccc(c1)Cl 34a_100000737531_200000210301 [0,1,0,0,0,0|2,0,0]=3 325 B12R1.13 CCC(NC)c1cccc(c1)F 2230a_100159265421_200000210301 [0,1,0,0,0,0|2,0,0]=3 326 B12R1.13 CCC(NC)c1cccc(c1)F 269862a_106832991636_100000687998 [0,1,0,0,0,0|2,0,0]=3 327 B12R1.13 CCC(NC)c1cccc(c1)F 34a_100159265421_200000210301 [0,1,0,0,0,0|2,0,0]=3 328 B12R1.13 CCC(NC)c1cccc(c1)O 2230a_100159312145_200000210301 [0,1,0,0,0,0|2,0,0]=3 329 B12R1.13 CCC(NC)c1cccc(c1)O 269862a_106832991636_100011996911 [0,1,0,0,0,0|2,0,0]=3 330 B12R1.13 CCC(NC)c1cccc(c1)O 34a_100159312145_200000210301 [0,1,0,0,0,0|2,0,0]=3 331 B12R1.13 CCC(NC)c1cccc(n1)Br 269862a_106832991636_100011004013 [0,1,0,0,0,0|3,0,0]=4 332 B12R1.13 CCC(NC)c1cccc(n1)C 2230a_100161156280_200000210301 [0,1,0,0,0,0|3,0,0]=4 333 B12R1.13 CCC(NC)c1cncc(c1)F 269862a_106832991636_100011491000 [0,1,0,0,0,0|3,0,0]=4 334 B12R1.13 CCC(N[13CH3])c1cccc(c1)Cl 2230a_100000737531_200025704644 [0,1,0,0,0,0|2,0,0]=3 335 B12R1.13 CCC(N[13CH3])c1cccc(c1)Cl 34a_100000737531_200025704644 [0,1,0,0,0,0|2,0,0]=3 336 B12R1.13 CCC(N[13CH3])c1cccc(c1)F 2230a_100159265421_200025704644 [0,1,0,0,0,0|2,0,0]=3 337 B12R1.13 CCC(N[13CH3])c1cccc(c1)F 34a_100159265421_200025704644 [0,1,0,0,0,0|2,0,0]=3 338 B12R1.13 CCC(N[13CH3])c1cccc(c1)O 2230a_100159312145_200025704644 [0,1,0,0,0,0|2,0,0]=3 339 B12R1.13 CCC(N[13CH3])c1cccc(c1)O 34a_100159312145_200025704644 [0,1,0,0,0,0|2,0,0]=3 340 B12R1.13 CCC(N[13CH3])c1cccc(n1)C 2230a_100161156280_200025704644 [0,1,0,0,0,0|3,0,0]=4 341 B12R1.13 CCC(OC)c1cccc(c1)Cl 34a_100000766619_200000210301 [0,1,0,0,0,0|1,0,0]=2 342 B12R1.13 CCC(OC)c1cccc(c1)Cl 7a_100000766619_200000210301 [0,1,0,0,0,0|1,0,0]=2 343 B12R1.13 CCC(OC)c1cccc(c1)F 34a_100011350881_200000210301 [0,1,0,0,0,0|1,0,0]=2 344 B12R1.13 CCC(OC)c1cccc(c1)F 7a_100011350881_200000210301 [0,1,0,0,0,0|1,0,0]=2 345 B12R1.13 CCC(OC)c1cccc(c1)I 34a_200013212081_200000210301 [0,1,0,0,0,0|1,0,0]=2 346 B12R1.13 CCC(OC)c1cccc(c1)I 7a_200013212081_200000210301 [0,1,0,0,0,0|1,0,0]=2 347 B12R1.13 CCC(O[13CH3])c1cccc(c1)Cl 34a_100000766619_200025704644 [0,1,0,0,0,0|1,0,0]=2 348 B12R1.13 CCC(O[13CH3])c1cccc(c1)Cl 7a_100000766619_200025704644 [0,1,0,0,0,0|1,0,0]=2 349 B12R1.13 CCC(O[13CH3])c1cccc(c1)F 34a_100011350881_200025704644 [0,1,0,0,0,0|1,0,0]=2 350 B12R1.13 CCC(O[13CH3])c1cccc(c1)F 7a_100011350881_200025704644 [0,1,0,0,0,0|1,0,0]=2 351 B12R1.13 CCC(O[13CH3])c1cccc(c1)I 34a_200013212081_200025704644 [0,1,0,0,0,0|1,0,0]=2 352 B12R1.13 CCC(O[13CH3])c1cccc(c1)I 7a_200013212081_200025704644 [0,1,0,0,0,0|1,0,0]=2 353 B12R1.13 CCN(CC)c1cccc(c1)Br 2230a_100000738899_100000210202 [0,1,0,0,0,0|3,0,0]=4 354 B12R1.13 CCN(CC)c1cccc(c1)Br 269982a_100000738899_100000204670 [0,1,0,0,0,0|3,0,0]=4 355 B12R1.13 CCN(CC)c1cccc(c1)Br 34a_100000738899_100000210202 [0,1,0,0,0,0|3,0,0]=4 356 B12R1.13 CCN(CC)c1cccc(c1)C 2230a_100000182157_100000210202 [0,1,0,0,0,0|3,0,0]=4 357 B12R1.13 CCN(CC)c1cccc(c1)C 269982a_100000182157_100000204670 [0,1,0,0,0,0|3,0,0]=4 358 B12R1.13 CCN(CC)c1cccc(c1)C 34a_100000182157_100000210202 [0,1,0,0,0,0|3,0,0]=4 359 B12R1.13 CCN(CC)c1cccc(c1)C 7a_100000182157_100000210202 [0,1,0,0,0,0|3,0,0]=4 360 B12R1.13 CCN(CC)c1cccc(c1)O 2230a_100000717746_100000210202 [0,1,0,0,0,0|3,0,0]=4 361 B12R1.13 CCN(CC)c1cccc(c1)O 269982a_100000717746_100000204670 [0,1,0,0,0,0|3,0,0]=4 362 B12R1.13 CCN(CC)c1cccc(c1)O 34a_100000717746_100000210202 [0,1,0,0,0,0|3,0,0]=4 363 B12R1.13 CC[C@@H](NC)c1cccc(c1)C 2230a_200016991486_200000210301 [0,1,0,0,0,0|2,0,0]=3 364 B12R1.13 CC[C@@H](NC)c1cccc(c1)C 34a_200016991486_200000210301 [0,1,0,0,0,0|2,0,0]=3 365 B12R1.13 CC[C@@H](N[13CH3])c1cccc(c1)C 2230a_200016991486_200025704644 [0,1,0,0,0,0|2,0,0]=3 366 B12R1.13 CC[C@@H](N[13CH3])c1cccc(c1)C 34a_200016991486_200025704644 [0,1,0,0,0,0|2,0,0]=3 367 B12R1.13 CC[C@H](NC)c1cccc(c1)Br 2230a_100102422761_200000210301 [0,1,0,0,0,0|2,0,0]=3 368 B12R1.13 CC[C@H](NC)c1cccc(c1)Br 34a_100102422761_200000210301 [0,1,0,0,0,0|2,0,0]=3 369 B12R1.13 CC[C@H](N[13CH3])c1cccc(c1)Br 2230a_100102422761_200025704644 [0,1,0,0,0,0|2,0,0]=3 370 B12R1.13 CC[C@H](N[13CH3])c1cccc(c1)Br 34a_100102422761_200025704644 [0,1,0,0,0,0|2,0,0]=3 371 B12R1.13 CNC(CO)c1cccc(c1)Br 2230a_100000690078_200000210301 [0,1,0,0,0,0|3,0,0]=4 372 B12R1.13 CNC(CO)c1cccc(c1)Br 34a_100000690078_200000210301 [0,1,0,0,0,0|3,0,0]=4 373 B12R1.13 CNC(CO)c1cccc(c1)O 2230a_100025717460_200000210301 [0,1,0,0,0,0|3,0,0]=4 374 B12R1.13 CNC(CO)c1cccc(c1)O 34a_100025717460_200000210301 [0,1,0,0,0,0|3,0,0]=4 375 B12R1.13 CN[C@@H](CO)c1cccc(c1)Cl 2230a_100032004910_200000210301 [0,1,0,0,0,0|3,0,0]=4 376 B12R1.13 CN[C@@H](CO)c1cccc(c1)Cl 34a_100032004910_200000210301 [0,1,0,0,0,0|3,0,0]=4 377 B12R1.13 CN[C@H](CO)c1cccc(c1)C 2230a_100009818812_200000210301 [0,1,0,0,0,0|3,0,0]=4 378 B12R1.13 CN[C@H](CO)c1cccc(c1)C 34a_100009818812_200000210301 [0,1,0,0,0,0|3,0,0]=4 379 B12R1.13 CN[C@H](CO)c1cccc(c1)F 2230a_100020641251_200000210301 [0,1,0,0,0,0|3,0,0]=4 380 B12R1.13 CN[C@H](CO)c1cccc(c1)F 34a_100020641251_200000210301 [0,1,0,0,0,0|3,0,0]=4 381 B12R1.13 COC(OC)c1cccc(c1)O 271570a_203496583355_100009816312 [0,1,0,0,0,0|0,0,0]=1 382 B12R1.13 COC(OC)c1cncc(c1)O 271570a_203496583355_100010232022 [0,1,0,0,0,0|1,0,0]=2 383 B12R1.13 Cc1cccc(c1)[C@@H](CO)N[13CH3] 2230a_100009818812_200025704644 [0,1,0,0,0,0|3,0,0]=4 384 B12R1.13 Cc1cccc(c1)[C@@H](CO)N[13CH3] 34a_100009818812_200025704644 [0,1,0,0,0,0|3,0,0]=4 385 B12R1.13 [13CH3]NC(CO)c1cccc(c1)Br 2230a_100000690078_200025704644 [0,1,0,0,0,0|3,0,0]=4 386 B12R1.13 [13CH3]NC(CO)c1cccc(c1)Br 34a_100000690078_200025704644 [0,1,0,0,0,0|3,0,0]=4 387 B12R1.13 [13CH3]NC(CO)c1cccc(c1)O 2230a_100025717460_200025704644 [0,1,0,0,0,0|3,0,0]=4 388 B12R1.13 [13CH3]NC(CO)c1cccc(c1)O 34a_100025717460_200025704644 [0,1,0,0,0,0|3,0,0]=4 389 B12R1.13 [13CH3]N[C@@H](CO)c1cccc(c1)Cl 2230a_100032004910_200025704644 [0,1,0,0,0,0|3,0,0]=4 390 B12R1.13 [13CH3]N[C@@H](CO)c1cccc(c1)Cl 34a_100032004910_200025704644 [0,1,0,0,0,0|3,0,0]=4 391 B12R1.13 [13CH3]N[C@H](CO)c1cccc(c1)F 2230a_100020641251_200025704644 [0,1,0,0,0,0|3,0,0]=4 392 B12R1.13 [13CH3]N[C@H](CO)c1cccc(c1)F 34a_100020641251_200025704644 [0,1,0,0,0,0|3,0,0]=4 393 B12R1.243 CCC(NC)c1ccccc1C 269862a_106832991636_100011350723 [0,1,0,0,0,0|2,0,0]=3 394 B12R1.243 CCC(NC)c1ccccc1Cl 269862a_106832991636_100011400563 [0,1,0,0,0,0|2,0,0]=3 395 B12R1.243 CCC(NC)c1ccccc1F 269862a_106832991636_100000686739 [0,1,0,0,0,0|2,0,0]=3 396 B12R1.243 CCC(NC)c1ncccc1C 2230a_200011536107_200000210301 [0,1,0,0,0,0|3,0,0]=4 397 B12R1.243 CCC(NC)c1ncccc1C 269862a_106832991636_100000725274 [0,1,0,0,0,0|3,0,0]=4 398 B12R1.243 CCC(N[13CH3])c1ncccc1C 2230a_200011536107_200025704644 [0,1,0,0,0,0|3,0,0]=4 399 B12R1.243 CCC(OC)c1ccccc1F 34a_200011689290_200000210301 [0,1,0,0,0,0|1,0,0]=2 400 B12R1.243 CCC(OC)c1ccccc1F 7a_200011689290_200000210301 [0,1,0,0,0,0|1,0,0]=2 401 B12R1.243 CCC(O[13CH3])c1ccccc1F 34a_200011689290_200025704644 [0,1,0,0,0,0|1,0,0]=2 402 B12R1.243 CCC(O[13CH3])c1ccccc1F 7a_200011689290_200025704644 [0,1,0,0,0,0|1,0,0]=2 403 B12R1.243 CCN(CC)c1ccccc1Br 2230a_114873767003_100000210202 [0,1,0,0,0,0|3,0,0]=4 404 B12R1.243 CCN(CC)c1ccccc1Br 269982a_114873767003_100000204670 [0,1,0,0,0,0|3,0,0]=4 405 B12R1.243 CCN(CC)c1ccccc1Br 34a_114873767003_100000210202 [0,1,0,0,0,0|3,0,0]=4 406 B12R1.243 CCN(CC)c1ccccc1C 2230a_100000211084_100000210202 [0,1,0,0,0,0|3,0,0]=4 407 B12R1.243 CCN(CC)c1ccccc1C 269982a_100000211084_100000204670 [0,1,0,0,0,0|3,0,0]=4 408 B12R1.243 CCN(CC)c1ccccc1C 34a_100000211084_100000210202 [0,1,0,0,0,0|3,0,0]=4 409 B12R1.243 CCN(CC)c1ccccc1F 2230a_100000220365_100000210202 [0,1,0,0,0,0|3,0,0]=4 410 B12R1.243 CCN(CC)c1ccccc1F 269982a_100000220365_100000204670 [0,1,0,0,0,0|3,0,0]=4 411 B12R1.243 CCN(CC)c1ccccc1F 34a_100000220365_100000210202 [0,1,0,0,0,0|3,0,0]=4 412 B12R1.243 CCN(CC)c1ccccc1O 269982a_103624766699_100000204670 [0,1,0,0,0,0|3,0,0]=4 413 B12R1.243 CC[C@H](NC)c1ccccc1Cl 2230a_200016987949_200000210301 [0,1,0,0,0,0|2,0,0]=3 414 B12R1.243 CC[C@H](NC)c1ccccc1Cl 34a_200016987949_200000210301 [0,1,0,0,0,0|2,0,0]=3 415 B12R1.243 CC[C@H](NC)c1ccccc1F 2230a_100015190424_200000210301 [0,1,0,0,0,0|2,0,0]=3 416 B12R1.243 CC[C@H](NC)c1ccccc1F 34a_100015190424_200000210301 [0,1,0,0,0,0|2,0,0]=3 417 B12R1.243 CC[C@H](N[13CH3])c1ccccc1Cl 2230a_200016987949_200025704644 [0,1,0,0,0,0|2,0,0]=3 418 B12R1.243 CC[C@H](N[13CH3])c1ccccc1Cl 34a_200016987949_200025704644 [0,1,0,0,0,0|2,0,0]=3 419 B12R1.243 CC[C@H](N[13CH3])c1ccccc1F 2230a_100015190424_200025704644 [0,1,0,0,0,0|2,0,0]=3 420 B12R1.243 CC[C@H](N[13CH3])c1ccccc1F 34a_100015190424_200025704644 [0,1,0,0,0,0|2,0,0]=3 421 B12R1.243 CNC(C#N)c1ccccc1C 2230a_102495364774_200000210301 [0,1,0,0,0,0|3,0,0]=4 422 B12R1.243 CNC(CO)c1ccccc1Cl 2230a_100138412506_200000210301 [0,1,0,0,0,0|3,0,0]=4 423 B12R1.243 CNC(CO)c1ccccc1Cl 34a_100138412506_200000210301 [0,1,0,0,0,0|3,0,0]=4 424 B12R1.243 CN[C@@H](CO)c1ccccc1F 2230a_100009818778_200000210301 [0,1,0,0,0,0|3,0,0]=4 425 B12R1.243 CN[C@@H](CO)c1ccccc1F 34a_100009818778_200000210301 [0,1,0,0,0,0|3,0,0]=4 426 B12R1.243 CN[C@H](CO)c1ccccc1Br 2230a_100161155918_200000210301 [0,1,0,0,0,0|3,0,0]=4 427 B12R1.243 CN[C@H](CO)c1ccccc1Br 34a_100161155918_200000210301 [0,1,0,0,0,0|3,0,0]=4 428 B12R1.243 COC(C#N)c1ccccc1Cl 7a_200011294979_200000210301 [0,1,0,0,0,0|2,0,0]=3 429 B12R1.243 COC(CN)c1ccccc1Br 34a_100011236429_200000210301 [0,1,0,0,0,0|2,0,0]=3 430 B12R1.243 COC(CN)c1ccccc1Cl 34a_200000759403_200000210301 [0,1,0,0,0,0|2,0,0]=3 431 B12R1.243 COC(OC)c1ccccc1O 271570a_203496583355_100010185899 [0,1,0,0,0,0|0,0,0]=1 432 B12R1.243 CSC(C#N)c1ccccc1Br 62a_200000210301_200011581958 [0,1,0,0,0,0|2,1,0]=4 433 B12R1.243 CSC(C#N)c1ccccc1Br 62a_200011581958_200000210301 [0,1,0,0,0,0|2,1,0]=4 434 B12R1.243 Cc1ccccc1C(C#N)N[13CH3] 2230a_102495364774_200025704644 [0,1,0,0,0,0|3,0,0]=4 435 B12R1.243 [13CH3]NC(CO)c1ccccc1Cl 2230a_100138412506_200025704644 [0,1,0,0,0,0|3,0,0]=4 436 B12R1.243 [13CH3]NC(CO)c1ccccc1Cl 34a_100138412506_200025704644 [0,1,0,0,0,0|3,0,0]=4 437 B12R1.243 [13CH3]N[C@@H](CO)c1ccccc1F 2230a_100009818778_200025704644 [0,1,0,0,0,0|3,0,0]=4 438 B12R1.243 [13CH3]N[C@@H](CO)c1ccccc1F 34a_100009818778_200025704644 [0,1,0,0,0,0|3,0,0]=4 439 B12R1.243 [13CH3]N[C@H](CO)c1ccccc1Br 2230a_100161155918_200025704644 [0,1,0,0,0,0|3,0,0]=4 440 B12R1.243 [13CH3]N[C@H](CO)c1ccccc1Br 34a_100161155918_200025704644 [0,1,0,0,0,0|3,0,0]=4 441 B12R1.243 [13CH3]OC(C#N)c1ccccc1Cl 7a_200011294979_200025704644 [0,1,0,0,0,0|2,0,0]=3 442 B12R1.243 [13CH3]OC(CN)c1ccccc1Br 34a_100011236429_200025704644 [0,1,0,0,0,0|2,0,0]=3 443 B12R1.243 [13CH3]OC(CN)c1ccccc1Cl 34a_200000759403_200025704644 [0,1,0,0,0,0|2,0,0]=3 444 B12R1.243 [13CH3]SC(C#N)c1ccccc1Br 62a_200011581958_200025704644 [0,1,0,0,0,0|2,1,0]=4 445 B12R1.243 [13CH3]SC(C#N)c1ccccc1Br 62a_200025704644_200011581958 [0,1,0,0,0,0|2,1,0]=4 446 B12R1.475 C#CC(C)(OC)c1ccccc1 34a_100000198054_200000210301 [0,1,0,0,0,0|1,0,1]=3 447 B12R1.475 C#CC(C)(OC)c1ccccc1 7a_100000198054_200000210301 [0,1,0,0,0,0|1,0,1]=3 448 B12R1.475 C#CC(C)(O[13CH3])c1ccccc1 34a_100000198054_200025704644 [0,1,0,0,0,0|1,0,1]=3 449 B12R1.475 C#CC(C)(O[13CH3])c1ccccc1 7a_100000198054_200025704644 [0,1,0,0,0,0|1,0,1]=3 450 B12R1.475 CCC(C)(OC)c1ccccc1 7a_100000748282_200000210301 [0,1,0,0,0,0|1,0,0]=2 451 B12R1.475 CCC(C)(O[13CH3])c1ccccc1 7a_100000748282_200025704644 [0,1,0,0,0,0|1,0,0]=2 452 B12R1.475 CSC(F)(C#N)c1ccccc1 62a_200000117376_200000210301 [0,1,0,0,0,0|2,1,0]=4 453 B12R1.475 CSC(F)(C#N)c1ccccc1 62a_200000210301_200000117376 [0,1,0,0,0,0|2,1,0]=4 454 B12R1.475 [13CH3]SC(F)(C#N)c1ccccc1 62a_200000117376_200025704644 [0,1,0,0,0,0|2,1,0]=4 455 B12R1.475 [13CH3]SC(F)(C#N)c1ccccc1 62a_200025704644_200000117376 [0,1,0,0,0,0|2,1,0]=4 456 B12R1.478 C=C(C)C(OC)c1ccccc1 34a_200011216824_200000210301 [0,1,0,0,0,0|1,0,0]=2 457 B12R1.478 C=C(C)C(OC)c1ccccc1 7a_200011216824_200000210301 [0,1,0,0,0,0|1,0,0]=2 458 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 34a_200011216824_200025704644 [0,1,0,0,0,0|1,0,0]=2 459 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 7a_200011216824_200025704644 [0,1,0,0,0,0|1,0,0]=2 460 B12R1.478 C=CC(c1ccccc1)N(C)C 2230a_100102631434_200000085779 [0,1,0,0,0,0|2,0,1]=4 461 B12R1.478 C=CC(c1ccccc1)N(C)C 269982a_100102631434_200000085779 [0,1,0,0,0,0|2,0,1]=4 462 B12R1.478 CC(=O)C(CO)c1ccccc1 1458a_100011218805_200000210301 [0,1,0,0,0,0|3,0,0]=4 463 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_100009888967_200025704644 [0,1,0,0,0,0|1,1,0]=3 464 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100009888967 [0,1,0,0,0,0|1,1,0]=3 465 B12R1.478 CC(C)C(N[13CH3])c1ccccn1 2230a_100015183375_200025704644 [0,1,0,0,0,0|3,0,0]=4 466 B12R1.478 CC(C)C(N[13CH3])c1cccnc1 2230a_100015185317_200025704644 [0,1,0,0,0,0|3,0,0]=4 467 B12R1.478 CC(C)C(N[13CH3])c1ccncc1 2230a_100000755331_200025704644 [0,1,0,0,0,0|3,0,0]=4 468 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 34a_200011217822_200025704644 [0,1,0,0,0,0|1,0,0]=2 469 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 7a_200011217822_200025704644 [0,1,0,0,0,0|1,0,0]=2 470 B12R1.478 CC(C)[C@H](N[13CH3])c1ccccc1 2230a_100015186014_200025704644 [0,1,0,0,0,0|2,0,0]=3 471 B12R1.478 CC(C)[C@H](N[13CH3])c1ccccc1 34a_100015186014_200025704644 [0,1,0,0,0,0|2,0,0]=3 472 B12R1.478 CCC(C(=O)C)c1ccccc1 1458a_100000211302_200000210301 [0,1,0,0,0,0|2,0,0]=3 473 B12R1.478 CCC(C(=O)[13CH3])c1ccccc1 1458a_100000211302_200025704644 [0,1,0,0,0,0|2,0,0]=3 474 B12R1.478 CCC(c1ccccc1)N(C)C 2230a_100000737544_200000210301 [0,1,0,0,0,0|2,0,0]=3 475 B12R1.478 CCC(c1ccccc1)N(C)C 269982a_100000737544_200000210301 [0,1,0,0,0,0|2,0,0]=3 476 B12R1.478 CCC(c1ccccc1)N(C)[13CH3] 2230a_100000737544_200025704644 [0,1,0,0,0,0|2,0,0]=3 477 B12R1.478 CCC(c1ccccc1)N(C)[13CH3] 269982a_100000737544_200025704644 [0,1,0,0,0,0|2,0,0]=3 478 B12R1.478 CCC(c1ccccn1)N(C)C 2230a_100011351527_200000210301 [0,1,0,0,0,0|3,0,0]=4 479 B12R1.478 CCC(c1ccccn1)N(C)C 269982a_100011351527_200000210301 [0,1,0,0,0,0|3,0,0]=4 480 B12R1.478 CCC(c1ccccn1)N(C)[13CH3] 2230a_100011351527_200025704644 [0,1,0,0,0,0|3,0,0]=4 481 B12R1.478 CCC(c1ccccn1)N(C)[13CH3] 269982a_100011351527_200025704644 [0,1,0,0,0,0|3,0,0]=4 482 B12R1.478 CCC(c1cccnc1)N(C)C 2230a_200011351541_200000210301 [0,1,0,0,0,0|3,0,0]=4 483 B12R1.478 CCC(c1cccnc1)N(C)C 269982a_200011351541_200000210301 [0,1,0,0,0,0|3,0,0]=4 484 B12R1.478 CCC(c1cccnc1)N(C)[13CH3] 2230a_200011351541_200025704644 [0,1,0,0,0,0|3,0,0]=4 485 B12R1.478 CCC(c1cccnc1)N(C)[13CH3] 269982a_200011351541_200025704644 [0,1,0,0,0,0|3,0,0]=4 486 B12R1.478 CCN(C(=O)C)c1ccccc1 11a_100000210013_100015343762 [0,1,0,0,0,0|3,0,0]=4 487 B12R1.478 CCN(C(=O)C)c1ccccc1 1626a_100000210013_100015343762 [0,1,0,0,0,0|3,0,0]=4 488 B12R1.478 CCN(C(=O)C)c1ccccc1 22a_100000210013_100000070787 [0,1,0,0,0,0|3,0,0]=4 489 B12R1.478 CCN(c1ccccc1)C(C)C 2230a_100000210013_100000210206 [0,1,0,0,0,0|3,0,0]=4 490 B12R1.478 CCN(c1ccccc1)C(C)C 2230a_100000210572_100000210202 [0,1,0,0,0,0|3,0,0]=4 491 B12R1.478 CCN(c1ccccc1)C(C)C 269982a_100000210013_100000210206 [0,1,0,0,0,0|3,0,0]=4 492 B12R1.478 CCN(c1ccccc1)C(C)C 269982a_100000210572_100000204670 [0,1,0,0,0,0|3,0,0]=4 493 B12R1.478 CCN(c1ccccc1)C(C)C 34a_100000210013_100000210206 [0,1,0,0,0,0|3,0,0]=4 494 B12R1.478 CCN(c1ccccc1)C(C)C 34a_100000210572_100000210202 [0,1,0,0,0,0|3,0,0]=4 495 B12R1.478 CCN(c1ccccc1)C(C)C 7a_100000210572_100000210202 [0,1,0,0,0,0|3,0,0]=4 496 B12R1.478 CNC(C(=O)C)c1ccccc1 2230a_106832991635_100009888967 [0,1,0,0,0,0|2,0,0]=3 497 B12R1.478 CNC(C(=O)C)c1ccccc1 7a_106832991635_100009888967 [0,1,0,0,0,0|2,0,0]=3 498 B12R1.478 CNC(C(=O)N)c1ccccc1 2230a_106832991635_100000188848 [0,1,0,0,0,0|3,0,0]=4 499 B12R1.478 CNC(C(=O)N)c1ccccc1 7a_106832991635_100000188848 [0,1,0,0,0,0|3,0,0]=4 500 B12R1.478 CNC(C(=O)O)c1ccccc1 269956a_100000230147_200000210301 [0,1,0,0,0,0|3,0,0]=4 501 B12R1.478 CNC(c1ccccn1)C(C)C 2230a_100015183375_200000210301 [0,1,0,0,0,0|3,0,0]=4 502 B12R1.478 CNC(c1ccccn1)C(C)C 269862a_106832991636_100011350566 [0,1,0,0,0,0|3,0,0]=4 503 B12R1.478 CNC(c1cccnc1)C(C)C 2230a_100015185317_200000210301 [0,1,0,0,0,0|3,0,0]=4 504 B12R1.478 CNC(c1ccncc1)C(C)C 2230a_100000755331_200000210301 [0,1,0,0,0,0|3,0,0]=4 505 B12R1.478 CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200000210301 [0,1,0,0,0,0|3,0,0]=4 506 B12R1.478 CN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_200000210301 [0,1,0,0,0,0|2,0,0]=3 507 B12R1.478 CN[C@H](c1ccccc1)C(C)C 2230a_100015186014_200000210301 [0,1,0,0,0,0|2,0,0]=3 508 B12R1.478 CN[C@H](c1ccccc1)C(C)C 34a_100015186014_200000210301 [0,1,0,0,0,0|2,0,0]=3 509 B12R1.478 COC(C(=O)N)c1ccccc1 34a_100011200849_200000210301 [0,1,0,0,0,0|2,0,0]=3 510 B12R1.478 COC(C(=O)N)c1ccccc1 7a_100011200849_200000210301 [0,1,0,0,0,0|2,0,0]=3 511 B12R1.478 COC(c1ccccc1)C(C)C 34a_200011217822_200000210301 [0,1,0,0,0,0|1,0,0]=2 512 B12R1.478 COC(c1ccccc1)C(C)C 7a_200011217822_200000210301 [0,1,0,0,0,0|1,0,0]=2 513 B12R1.478 CO[C@@H](C(=O)C)c1ccccc1 1458a_100000698336_200000210301 [0,1,0,0,0,0|1,0,0]=2 514 B12R1.478 CO[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100000698336_200025704644 [0,1,0,0,0,0|1,0,0]=2 515 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_100009888967_200000210301 [0,1,0,0,0,0|1,1,0]=3 516 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_200000210301_100009888967 [0,1,0,0,0,0|1,1,0]=3 517 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_100000188848_200000210301 [0,1,0,0,0,0|2,1,0]=4 518 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_200000210301_100000188848 [0,1,0,0,0,0|2,1,0]=4 519 B12R1.478 C[C@H](O)[C@@H](N[13CH3])c1ccccc1 2230a_100134616770_200025704644 [0,1,0,0,0,0|2,0,0]=3 520 B12R1.478 [13CH3]C(=O)C(CO)c1ccccc1 1458a_100011218805_200025704644 [0,1,0,0,0,0|3,0,0]=4 521 B12R1.478 [13CH3]NC(C(=O)O)c1ccccc1 269956a_100000230147_200025704644 [0,1,0,0,0,0|3,0,0]=4 522 B12R1.478 [13CH3]N[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200025704644 [0,1,0,0,0,0|3,0,0]=4 523 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 34a_100011200849_200025704644 [0,1,0,0,0,0|2,0,0]=3 524 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 7a_100011200849_200025704644 [0,1,0,0,0,0|2,0,0]=3 525 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_100000188848_200025704644 [0,1,0,0,0,0|2,1,0]=4 526 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_200025704644_100000188848 [0,1,0,0,0,0|2,1,0]=4 527 B10R0.21 C/C=C/CC(=O)C(OC)OC 1458a_100000046285_100102629194 [0,0,1,0,0,0|1,0,2]=4 528 B10R0.21 C=CC=CC(=O)C(CC)CC 1458a_100016291481_100000210505 [0,0,1,0,0,0|3,0,0]=4 529 B10R0.21 C=CCCC(=O)C(OC)OC 1458a_100000046285_100000754431 [0,0,1,0,0,0|1,0,2]=4 530 B10R0.21 C=CCNC(=O)C(OC)OC 240690a_100020586998_100000046285 [0,0,1,0,0,0|2,0,1]=4 531 B10R0.21 C=CCNC(=O)C(OC)OC 527a_100020586998_100000046285 [0,0,1,0,0,0|2,0,1]=4 532 B10R0.21 CC=CCC(=O)C(OC)OC 1458a_100000046285_100000070051 [0,0,1,0,0,0|1,0,2]=4 533 B12R2.1 CNC1CCc2c1cccc2 2230a_106832991635_200000721974 [0,0,0,1,0,0|2,0,0]=3 534 B12R2.1 CNC1CCc2c1cccc2 269862a_106832991636_100000212051 [0,0,0,1,0,0|2,0,0]=3 535 B12R2.1 CNC1COc2c1cccc2 2230a_100000747519_200000210301 [0,0,0,1,0,0|3,0,0]=4 536 B12R2.1 CN[C@H]1CCc2c1cccc2 2230a_100016989578_200000210301 [0,0,0,1,0,0|2,0,0]=3 537 B12R2.1 CN[C@H]1CCc2c1cccc2 34a_100016989578_200000210301 [0,0,0,1,0,0|2,0,0]=3 538 B12R2.1 COC1CCc2c1cccc2 34a_100000212247_200000210301 [0,0,0,1,0,0|1,0,0]=2 539 B12R2.1 COC1CCc2c1cccc2 7a_100000212247_200000210301 [0,0,0,1,0,0|1,0,0]=2 540 B12R2.1 COc1csc2c1cccc2 34a_100000077758_200000210301 [0,0,0,1,0,0|2,0,1]=4 541 B12R2.1 COc1csc2c1cccc2 7a_100000077758_200000210301 [0,0,0,1,0,0|2,0,1]=4 542 B12R2.1 CSC1CCc2c1cccc2 62a_200000210301_200000721974 [0,0,0,1,0,0|1,1,0]=3 543 B12R2.1 [13CH3]NC1COc2c1cccc2 2230a_100000747519_200025704644 [0,0,0,1,0,0|3,0,0]=4 544 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 2230a_100016989578_200025704644 [0,0,0,1,0,0|2,0,0]=3 545 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 34a_100016989578_200025704644 [0,0,0,1,0,0|2,0,0]=3 546 B12R2.1 [13CH3]OC1CCc2c1cccc2 34a_100000212247_200025704644 [0,0,0,1,0,0|1,0,0]=2 547 B12R2.1 [13CH3]OC1CCc2c1cccc2 7a_100000212247_200025704644 [0,0,0,1,0,0|1,0,0]=2 548 B12R2.1 [13CH3]Oc1csc2c1cccc2 34a_100000077758_200025704644 [0,0,0,1,0,0|2,0,1]=4 549 B12R2.1 [13CH3]Oc1csc2c1cccc2 7a_100000077758_200025704644 [0,0,0,1,0,0|2,0,1]=4 550 B12R2.1 [13CH3]SC1CCc2c1cccc2 62a_200025704644_200000721974 [0,0,0,1,0,0|1,1,0]=3 551 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [0,0,0,1,0,0|2,0,1]=4 552 B12R2.23 CN1CCC1c2ccccc2 2230a_100000739605_200000210301 [0,0,0,1,0,0|2,0,0]=3 553 B12R2.23 CN1CCC1c2ccccc2 269982a_100000739605_200000210301 [0,0,0,1,0,0|2,0,0]=3 554 B12R2.23 [13CH3]N1CCC1c2ccccc2 2230a_100000739605_200025704644 [0,0,0,1,0,0|2,0,0]=3 555 B12R2.23 [13CH3]N1CCC1c2ccccc2 269982a_100000739605_200025704644 [0,0,0,1,0,0|2,0,0]=3 556 B12R2.48 CNC1(CC1)c2ccccc2 2230a_100000749958_200000210301 [0,0,0,1,0,0|2,0,0]=3 557 B12R2.48 CNC1(CC1)c2ccccn2 2230a_100000727909_200000210301 [0,0,0,1,0,0|3,0,0]=4 558 B12R2.48 CNC1(CC1)c2cccnc2 2230a_100020592340_200000210301 [0,0,0,1,0,0|3,0,0]=4 559 B12R2.48 [13CH3]NC1(CC1)c2ccccc2 2230a_100000749958_200025704644 [0,0,0,1,0,0|2,0,0]=3 560 B12R2.48 [13CH3]NC1(CC1)c2ccccn2 2230a_100000727909_200025704644 [0,0,0,1,0,0|3,0,0]=4 561 B12R2.48 [13CH3]NC1(CC1)c2cccnc2 2230a_100020592340_200025704644 [0,0,0,1,0,0|3,0,0]=4 562 B10R1.9 CCC(NC)c1ccc[nH]1 269862a_106832991636_200000242565 [0,0,0,0,1,0|3,0,0]=4 563 B10R1.9 CCC(NC)c1ccco1 2230a_100015202707_200000210301 [0,0,0,0,1,0|3,0,0]=4 564 B10R1.9 CCC(NC)c1ccco1 269862a_106832991636_100000749595 [0,0,0,0,1,0|3,0,0]=4 565 B10R1.9 CCC(NC)c1cccs1 2230a_100000743277_200000210301 [0,0,0,0,1,0|3,0,0]=4 566 B10R1.9 CCC(NC)c1cccs1 269862a_106832991636_100000211688 [0,0,0,0,1,0|3,0,0]=4 567 B10R1.9 CCC(N[13CH3])c1ccco1 2230a_100015202707_200025704644 [0,0,0,0,1,0|3,0,0]=4 568 B10R1.9 CCC(N[13CH3])c1cccs1 2230a_100000743277_200025704644 [0,0,0,0,1,0|3,0,0]=4 569 B10R1.9 COC(CN)c1ccco1 34a_100000738650_200000210301 [0,0,0,0,1,0|3,0,0]=4 570 B10R1.9 COC(CN)c1ccsc1 34a_100000758718_200000210301 [0,0,0,0,1,0|3,0,0]=4 571 B10R1.9 [13CH3]OC(CN)c1ccco1 34a_100000738650_200025704644 [0,0,0,0,1,0|3,0,0]=4 572 B10R1.9 [13CH3]OC(CN)c1ccsc1 34a_100000758718_200025704644 [0,0,0,0,1,0|3,0,0]=4 573 B12R1.118 C#CC(Cc1ccccc1)OC 34a_100000685211_200000210301 [0,0,0,0,0,1|1,0,1]=3 574 B12R1.118 C#CC(Cc1ccccc1)OC 7a_100000685211_200000210301 [0,0,0,0,0,1|1,0,1]=3 575 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 34a_100000685211_200025704644 [0,0,0,0,0,1|1,0,1]=3 576 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 7a_100000685211_200025704644 [0,0,0,0,0,1|1,0,1]=3 577 B12R1.118 CCC(CC)Oc1ccccc1 7a_100000210340_100000210505 [0,0,0,0,0,1|2,0,0]=3 578 B12R1.118 CCC(CC)Oc1cccnc1 7a_100000210849_100000210505 [0,0,0,0,0,1|3,0,0]=4 579 B12R1.118 CCC(CC)Sc1ccccc1 62a_100000210505_100000041952 [0,0,0,0,0,1|2,0,0]=3 580 B12R1.118 CCC(CC)Sc1ccccc1 62a_100000719477_100000210505 [0,0,0,0,0,1|2,0,0]=3 581 B12R1.118 CCC(CC)Sc1ccccn1 62a_100000210505_100011216584 [0,0,0,0,0,1|3,0,0]=4 582 B12R1.118 CCC(CC)Sc1ccccn1 62a_100011216584_100000210505 [0,0,0,0,0,1|3,0,0]=4 583 B12R1.118 CCC(CC)Sc1cccnc1 62a_100000210063_100000210505 [0,0,0,0,0,1|3,0,0]=4 584 B12R1.118 CCC(CC)Sc1cccnc1 62a_100000210505_100000210063 [0,0,0,0,0,1|3,0,0]=4 585 B12R1.118 CCC(CC)Sc1ccncc1 62a_100000210505_100000728582 [0,0,0,0,0,1|3,0,0]=4 586 B12R1.118 CCC(CC)Sc1ccncc1 62a_100000728582_100000210505 [0,0,0,0,0,1|3,0,0]=4 587 B12R1.118 CCC(Cc1ccccc1)NC 270004a_106832991635_100000212045 [0,0,0,0,0,1|2,0,0]=3 588 B12R1.118 CCC(Cc1ccccc1)OC 7a_100000760156_200000210301 [0,0,0,0,0,1|1,0,0]=2 589 B12R1.118 CCC(Cc1ccccc1)O[13CH3] 7a_100000760156_200025704644 [0,0,0,0,0,1|1,0,0]=2 590 B12R1.118 CCN(CC)Cc1ccccc1 2230a_100000186914_100000210202 [0,0,0,0,0,1|3,0,0]=4 591 B12R1.118 CCN(CC)Cc1ccccc1 2230a_100000724800_100015291786 [0,0,0,0,0,1|3,0,0]=4 592 B12R1.118 CCN(CC)Cc1ccccc1 269956a_100000042499_100015291786 [0,0,0,0,0,1|3,0,0]=4 593 B12R1.118 CCN(CC)Cc1ccccc1 269982a_100000186914_100000204670 [0,0,0,0,0,1|3,0,0]=4 594 B12R1.118 CCN(CC)Cc1ccccc1 269982a_100000724800_100000211182 [0,0,0,0,0,1|3,0,0]=4 595 B12R1.118 CCN(CC)Cc1ccccc1 270004a_100000724800_100015611070 [0,0,0,0,0,1|3,0,0]=4 596 B12R1.118 CNC(C#N)Cc1ccccc1 2230a_100000746547_200000210301 [0,0,0,0,0,1|3,0,0]=4 597 B12R1.118 CNC(C#N)Cc1ccccc1 7a_106832991635_100000183401 [0,0,0,0,0,1|3,0,0]=4 598 B12R1.118 CNC(CO)Cc1ccccc1 2230a_100000739027_200000210301 [0,0,0,0,0,1|3,0,0]=4 599 B12R1.118 COC(CN)Cc1ccccc1 34a_100000752270_200000210301 [0,0,0,0,0,1|2,0,0]=3 600 B12R1.118 CO[C@H](CCl)Cc1ccccc1 7a_100000729385_200000210301 [0,0,0,0,0,1|2,0,0]=3 601 B12R1.118 CSC(C#N)Cc1ccccc1 62a_100000183401_200000210301 [0,0,0,0,0,1|2,1,0]=4 602 B12R1.118 CSC(C#N)Cc1ccccc1 62a_200000210301_100000183401 [0,0,0,0,0,1|2,1,0]=4 603 B12R1.118 [13CH3]NC(C#N)Cc1ccccc1 2230a_100000746547_200025704644 [0,0,0,0,0,1|3,0,0]=4 604 B12R1.118 [13CH3]NC(CO)Cc1ccccc1 2230a_100000739027_200025704644 [0,0,0,0,0,1|3,0,0]=4 605 B12R1.118 [13CH3]OC(CN)Cc1ccccc1 34a_100000752270_200025704644 [0,0,0,0,0,1|2,0,0]=3 606 B12R1.118 [13CH3]O[C@H](CCl)Cc1ccccc1 7a_100000729385_200025704644 [0,0,0,0,0,1|2,0,0]=3 607 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_100000183401_200025704644 [0,0,0,0,0,1|2,1,0]=4 608 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_200025704644_100000183401 [0,0,0,0,0,1|2,1,0]=4 609 B9R0.37 C=CCC(=O)C(OC)OC 1458a_100000046285_100000210623 [1,0,1,0,0,0|1,0,1]=4 610 B9R0.8 C=CC=CC(=O)C(C)CC 1458a_100016291481_100000758301 [1,0,1,0,0,0|2,0,0]=4 611 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [2,0,0,0,0,0|0,0,2]=4 612 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [2,0,0,0,0,0|0,0,2]=4 613 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [2,0,0,0,0,0|1,0,0]=3 614 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [2,0,0,0,0,0|1,0,0]=3 615 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [2,0,0,0,0,0|1,0,0]=3 616 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [2,0,0,0,0,0|1,0,0]=3 617 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [2,0,0,0,0,0|1,0,0]=3 618 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [2,0,0,0,0,0|1,0,0]=3 619 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [2,0,0,0,0,0|0,0,2]=4 620 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [2,0,0,0,0,0|1,0,1]=4 621 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [2,0,0,0,0,0|2,0,0]=4 622 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [2,0,0,0,0,0|2,0,0]=4 623 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [2,0,0,0,0,0|2,0,0]=4 624 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [2,0,0,0,0,0|2,0,0]=4 625 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [2,0,0,0,0,0|2,0,0]=4 626 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [2,0,0,0,0,0|1,0,0]=3 627 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [2,0,0,0,0,0|1,0,0]=3 628 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [2,0,0,0,0,0|1,0,0]=3 629 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [2,0,0,0,0,0|1,0,0]=3 630 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [2,0,0,0,0,0|1,0,0]=3 631 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [2,0,0,0,0,0|1,0,0]=3 632 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [2,0,0,0,0,0|1,0,0]=3 633 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [2,0,0,0,0,0|2,0,0]=4 634 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [2,0,0,0,0,0|2,0,0]=4 635 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [2,0,0,0,0,0|2,0,0]=4 636 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [2,0,0,0,0,0|2,0,0]=4 637 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [2,0,0,0,0,0|2,0,0]=4 638 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [2,0,0,0,0,0|2,0,0]=4 639 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [2,0,0,0,0,0|2,0,0]=4 640 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [2,0,0,0,0,0|2,0,0]=4 641 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [2,0,0,0,0,0|2,0,0]=4 642 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [2,0,0,0,0,0|2,0,0]=4 643 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [2,0,0,0,0,0|2,0,0]=4 644 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [2,0,0,0,0,0|2,0,0]=4 645 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [2,0,0,0,0,0|2,0,0]=4 646 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [2,0,0,0,0,0|0,0,0]=2 647 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [2,0,0,0,0,0|0,0,0]=2 648 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [2,0,0,0,0,0|0,0,0]=2 649 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [2,0,0,0,0,0|1,0,0]=3 650 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [2,0,0,0,0,0|1,0,0]=3 651 B9R1.8 COCc1cccnn1 34a_100138415774_100016990269 [2,0,0,0,0,0|2,0,0]=4 652 B9R1.8 COCc1cnccn1 34a_100138415774_100016995436 [2,0,0,0,0,0|2,0,0]=4 653 B9R1.8 COCc1cncnc1 34a_100138415774_100015196519 [2,0,0,0,0,0|2,0,0]=4 654 B9R1.8 COCc1ncccn1 34a_100138415774_100000703007 [2,0,0,0,0,0|2,0,0]=4 655 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [2,0,0,0,0,0|0,1,0]=3 656 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [2,0,0,0,0,0|0,1,0]=3 657 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [2,0,0,0,0,0|1,1,0]=4 658 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [2,0,0,0,0,0|1,1,0]=4 659 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [2,0,0,0,0,0|1,1,0]=4 660 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [2,0,0,0,0,0|1,1,0]=4 661 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [2,0,0,0,0,0|1,1,0]=4 662 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [2,0,0,0,0,0|1,1,0]=4 663 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [2,0,0,0,0,0|1,0,0]=3 664 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [2,0,0,0,0,0|1,0,0]=3 665 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [2,0,0,0,0,0|0,0,0]=2 666 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [2,0,0,0,0,0|0,0,0]=2 667 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [2,0,0,0,0,0|0,1,0]=3 668 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [2,0,0,0,0,0|0,1,0]=3 669 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [2,0,0,0,0,0|1,1,0]=4 670 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [2,0,0,0,0,0|1,1,0]=4 671 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [2,0,0,0,0,0|1,1,0]=4 672 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [2,0,0,0,0,0|1,1,0]=4 673 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [2,0,0,0,0,0|1,1,0]=4 674 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [2,0,0,0,0,0|1,1,0]=4 675 B11R0.72 C=CC=CC(=O)CC(OC)OC 1458a_100016291481_100000751394 [0,1,1,0,0,0|0,0,1]=3 676 B11R1.7 CC(C)(N[13CH3])c1ccccc1 2230a_100011218174_200025704644 [1,1,0,0,0,0|1,0,0]=3 677 B11R1.7 CC(C)(N[13CH3])c1ccccn1 2230a_100011999416_200025704644 [1,1,0,0,0,0|2,0,0]=4 678 B11R1.7 CC(C)(N[13CH3])c1cccnc1 2230a_100011376175_200025704644 [1,1,0,0,0,0|2,0,0]=4 679 B11R1.7 CC(C)(O[13CH3])c1ccccc1 7a_100000694644_200025704644 [1,1,0,0,0,0|0,0,0]=2 680 B11R1.7 CC(C)(O[13CH3])c1ccccn1 7a_100000041474_200025704644 [1,1,0,0,0,0|1,0,0]=3 681 B11R1.7 CC(C)(S[13CH3])c1ccccc1 62a_100000034625_200025704644 [1,1,0,0,0,0|0,1,0]=3 682 B11R1.7 CC(C)(S[13CH3])c1ccccc1 62a_200025704644_100000034625 [1,1,0,0,0,0|0,1,0]=3 683 B11R1.7 CNC(C)(C)c1ccccc1 2230a_100011218174_200000210301 [1,1,0,0,0,0|1,0,0]=3 684 B11R1.7 CNC(C)(C)c1ccccc1 2230a_106832991635_100000034625 [1,1,0,0,0,0|1,0,0]=3 685 B11R1.7 CNC(C)(C)c1ccccn1 2230a_100011999416_200000210301 [1,1,0,0,0,0|2,0,0]=4 686 B11R1.7 CNC(C)(C)c1cccnc1 2230a_100011376175_200000210301 [1,1,0,0,0,0|2,0,0]=4 687 B11R1.7 CNC(F)(F)c1ccccc1 7a_106832991635_100000036403 [1,1,0,0,0,0|2,0,0]=4 688 B11R1.7 COC(C)(C)c1ccccc1 7a_100000694644_200000210301 [1,1,0,0,0,0|0,0,0]=2 689 B11R1.7 COC(C)(C)c1ccccn1 7a_100000041474_200000210301 [1,1,0,0,0,0|1,0,0]=3 690 B11R1.7 CSC(C)(C)c1ccccc1 62a_100000034625_200000210301 [1,1,0,0,0,0|0,1,0]=3 691 B11R1.7 CSC(C)(C)c1ccccc1 62a_200000210301_100000034625 [1,1,0,0,0,0|0,1,0]=3 692 B11R1.7 CSC(F)(F)c1ccccc1 62a_200000210301_100000036403 [1,1,0,0,0,0|1,1,0]=4 693 B11R1.7 [13CH3]SC(F)(F)c1ccccc1 62a_200025704644_100000036403 [1,1,0,0,0,0|1,1,0]=4 694 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [1,1,0,0,0,0|1,0,0]=3 695 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [1,1,0,0,0,0|1,0,0]=3 696 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [1,1,0,0,0,0|0,0,0]=2 697 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [1,1,0,0,0,0|0,0,0]=2 698 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [1,1,0,0,0,0|0,1,0]=3 699 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [1,1,0,0,0,0|0,1,0]=3 700 B11R1.16 CC(SCF)c1ccccc1 62a_100000230085_100015361967 [1,1,0,0,0,0|0,1,0]=3 701 B11R1.16 CC(SCF)c1ccccc1 62a_100015361967_100000230085 [1,1,0,0,0,0|0,1,0]=3 702 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [1,1,0,0,0,0|2,0,0]=4 703 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [1,1,0,0,0,0|2,0,0]=4 704 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [1,1,0,0,0,0|2,0,0]=4 705 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [1,1,0,0,0,0|2,0,0]=4 706 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [1,1,0,0,0,0|2,0,0]=4 707 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [1,1,0,0,0,0|2,0,0]=4 708 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [1,1,0,0,0,0|2,0,0]=4 709 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [1,1,0,0,0,0|2,0,0]=4 710 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [1,1,0,0,0,0|2,0,0]=4 711 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [1,1,0,0,0,0|1,0,0]=3 712 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [1,1,0,0,0,0|1,0,0]=3 713 B11R1.16 CCNC(C)c1ccccn1 2230a_100000181244_100000210202 [1,1,0,0,0,0|2,0,0]=4 714 B11R1.16 CCNC(C)c1ccccn1 269862a_100015525214_100000210467 [1,1,0,0,0,0|2,0,0]=4 715 B11R1.16 CCNC(C)c1cccnc1 2230a_100000195435_100000210202 [1,1,0,0,0,0|2,0,0]=4 716 B11R1.16 CCNC(C)c1cccnc1 269862a_100015525214_100000210468 [1,1,0,0,0,0|2,0,0]=4 717 B11R1.16 CCNC(C)c1ccncc1 2230a_100000181269_100000210202 [1,1,0,0,0,0|2,0,0]=4 718 B11R1.16 CCNC(C)c1ccncc1 269862a_100015525214_100000185792 [1,1,0,0,0,0|2,0,0]=4 719 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [1,1,0,0,0,0|1,0,0]=3 720 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [1,1,0,0,0,0|0,0,0]=2 721 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [1,1,0,0,0,0|0,0,0]=2 722 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [1,1,0,0,0,0|0,0,0]=2 723 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [1,1,0,0,0,0|0,1,0]=3 724 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [1,1,0,0,0,0|0,1,0]=3 725 B11R1.16 CN(CCF)c1ccccc1 2230a_100000210012_100011217306 [1,1,0,0,0,0|2,0,0]=4 726 B11R1.16 CN(CCF)c1ccccc1 269982a_100000210012_100011217306 [1,1,0,0,0,0|2,0,0]=4 727 B11R1.16 CN(CCF)c1ccccc1 34a_100000210012_100011217306 [1,1,0,0,0,0|2,0,0]=4 728 B11R1.16 CN(CCO)c1ccccc1 2230a_100000210012_100000211926 [1,1,0,0,0,0|2,0,0]=4 729 B11R1.16 CN(CCO)c1ccccc1 2230a_100000211345_200000210301 [1,1,0,0,0,0|2,0,0]=4 730 B11R1.16 CN(CCO)c1ccccc1 269982a_100000210012_100000211926 [1,1,0,0,0,0|2,0,0]=4 731 B11R1.16 CN(CCO)c1ccccc1 269982a_100000211345_200000210301 [1,1,0,0,0,0|2,0,0]=4 732 B11R1.16 CN(CCO)c1ccccc1 34a_100000210012_100000211926 [1,1,0,0,0,0|2,0,0]=4 733 B11R1.16 CN(CCO)c1ccccc1 34a_100000211345_200000210301 [1,1,0,0,0,0|2,0,0]=4 734 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [1,1,0,0,0,0|1,0,0]=3 735 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [1,1,0,0,0,0|1,0,0]=3 736 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [1,1,0,0,0,0|1,0,0]=3 737 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [1,1,0,0,0,0|1,0,0]=3 738 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [1,1,0,0,0,0|1,0,0]=3 739 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [1,1,0,0,0,0|1,0,0]=3 740 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [1,1,0,0,0,0|1,0,0]=3 741 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [1,1,0,0,0,0|1,0,0]=3 742 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [1,1,0,0,0,0|1,0,0]=3 743 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [1,1,0,0,0,0|1,0,0]=3 744 B11R1.16 CNCC(O)c1ccccn1 2230a_100000691469_200000210301 [1,1,0,0,0,0|2,0,0]=4 745 B11R1.16 CNCC(O)c1cccnc1 2230a_100020605170_200000210301 [1,1,0,0,0,0|2,0,0]=4 746 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [1,1,0,0,0,0|1,0,0]=3 747 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [1,1,0,0,0,0|1,0,0]=3 748 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [1,1,0,0,0,0|1,0,0]=3 749 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [1,1,0,0,0,0|0,0,0]=2 750 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [1,1,0,0,0,0|0,0,0]=2 751 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [1,1,0,0,0,0|0,0,0]=2 752 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [1,1,0,0,0,0|0,0,0]=2 753 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [1,1,0,0,0,0|1,0,0]=3 754 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [1,1,0,0,0,0|1,0,0]=3 755 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [1,1,0,0,0,0|1,0,0]=3 756 B11R1.16 COC[C@@H](N)c1ccncc1 34a_100138412524_200000210301 [1,1,0,0,0,0|2,0,0]=4 757 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [1,1,0,0,0,0|0,0,0]=2 758 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [1,1,0,0,0,0|0,1,0]=3 759 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [1,1,0,0,0,0|0,1,0]=3 760 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [1,1,0,0,0,0|0,1,0]=3 761 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [1,1,0,0,0,0|0,1,0]=3 762 B11R1.16 CSCN(C)c1ccccc1 2230a_100000210012_100011218213 [1,1,0,0,0,0|1,1,0]=4 763 B11R1.16 CSCN(C)c1ccccc1 269982a_100000210012_100011218213 [1,1,0,0,0,0|1,1,0]=4 764 B11R1.16 CSCN(C)c1ccccc1 34a_100000210012_100011218213 [1,1,0,0,0,0|1,1,0]=4 765 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [1,1,0,0,0,0|0,1,0]=3 766 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [1,1,0,0,0,0|0,1,0]=3 767 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [1,1,0,0,0,0|0,0,0]=2 768 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [1,1,0,0,0,0|0,0,0]=2 769 B11R1.16 [13CH3]N(CCO)c1ccccc1 2230a_100000211345_200025704644 [1,1,0,0,0,0|2,0,0]=4 770 B11R1.16 [13CH3]N(CCO)c1ccccc1 269982a_100000211345_200025704644 [1,1,0,0,0,0|2,0,0]=4 771 B11R1.16 [13CH3]N(CCO)c1ccccc1 34a_100000211345_200025704644 [1,1,0,0,0,0|2,0,0]=4 772 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [1,1,0,0,0,0|1,0,0]=3 773 B11R1.16 [13CH3]NCC(O)c1ccccn1 2230a_100000691469_200025704644 [1,1,0,0,0,0|2,0,0]=4 774 B11R1.16 [13CH3]NCC(O)c1cccnc1 2230a_100020605170_200025704644 [1,1,0,0,0,0|2,0,0]=4 775 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [1,1,0,0,0,0|1,0,0]=3 776 B11R1.16 [13CH3]OC[C@@H](N)c1ccncc1 34a_100138412524_200025704644 [1,1,0,0,0,0|2,0,0]=4 777 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [1,1,0,0,0,0|0,1,0]=3 778 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [1,1,0,0,0,0|0,1,0]=3 779 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [1,1,0,0,0,0|0,1,0]=3 780 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [1,1,0,0,0,0|0,1,0]=3 781 B11R1.22 CC(C#N)c1ccc(cc1)O 271570a_203496583355_100000695319 [1,1,0,0,0,0|2,0,0]=4 782 B11R1.22 CC(N[13CH3])c1ccc(cn1)Br 2230a_100000723930_200025704644 [1,1,0,0,0,0|2,0,0]=4 783 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 34a_100000745893_200025704644 [1,1,0,0,0,0|0,0,0]=2 784 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 7a_100000745893_200025704644 [1,1,0,0,0,0|0,0,0]=2 785 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 34a_100000181323_200025704644 [1,1,0,0,0,0|0,0,0]=2 786 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 7a_100000181323_200025704644 [1,1,0,0,0,0|0,0,0]=2 787 B11R1.22 CC(O[13CH3])c1ccc(cc1)N 34a_100011216399_200025704644 [1,1,0,0,0,0|0,0,0]=2 788 B11R1.22 CC(O[13CH3])c1ccc(cn1)Br 34a_100012353650_200025704644 [1,1,0,0,0,0|1,0,0]=3 789 B11R1.22 CC(O[13CH3])c1ccc(cn1)Br 7a_100012353650_200025704644 [1,1,0,0,0,0|1,0,0]=3 790 B11R1.22 CC(O[13CH3])c1ccc(nc1)Br 34a_200010274204_200025704644 [1,1,0,0,0,0|1,0,0]=3 791 B11R1.22 CC(O[13CH3])c1ccc(nc1)Br 7a_200010274204_200025704644 [1,1,0,0,0,0|1,0,0]=3 792 B11R1.22 CC(O[13CH3])c1ccc(nc1)Cl 34a_200012017543_200025704644 [1,1,0,0,0,0|1,0,0]=3 793 B11R1.22 CC(O[13CH3])c1ccc(nc1)Cl 7a_200012017543_200025704644 [1,1,0,0,0,0|1,0,0]=3 794 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_100000755118_200025704644 [1,1,0,0,0,0|0,1,0]=3 795 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_200025704644_100000755118 [1,1,0,0,0,0|0,1,0]=3 796 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_100000684792_200025704644 [1,1,0,0,0,0|0,1,0]=3 797 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_200025704644_100000684792 [1,1,0,0,0,0|0,1,0]=3 798 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_100000743420_200025704644 [1,1,0,0,0,0|0,1,0]=3 799 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_200025704644_100000743420 [1,1,0,0,0,0|0,1,0]=3 800 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [1,1,0,0,0,0|1,0,0]=3 801 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [1,1,0,0,0,0|1,0,0]=3 802 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210202 [1,1,0,0,0,0|2,0,0]=4 803 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219632_200000210301 [1,1,0,0,0,0|2,0,0]=4 804 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000204670 [1,1,0,0,0,0|2,0,0]=4 805 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219632_200000210301 [1,1,0,0,0,0|2,0,0]=4 806 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219623_100000210202 [1,1,0,0,0,0|2,0,0]=4 807 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219632_200000210301 [1,1,0,0,0,0|2,0,0]=4 808 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210202 [1,1,0,0,0,0|2,0,0]=4 809 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219985_200000210301 [1,1,0,0,0,0|2,0,0]=4 810 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219977_100000204670 [1,1,0,0,0,0|2,0,0]=4 811 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219985_200000210301 [1,1,0,0,0,0|2,0,0]=4 812 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219977_100000210202 [1,1,0,0,0,0|2,0,0]=4 813 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219985_200000210301 [1,1,0,0,0,0|2,0,0]=4 814 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100000220165_200000210301 [1,1,0,0,0,0|2,0,0]=4 815 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210202 [1,1,0,0,0,0|2,0,0]=4 816 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100000220165_200000210301 [1,1,0,0,0,0|2,0,0]=4 817 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000204670 [1,1,0,0,0,0|2,0,0]=4 818 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100000220165_200000210301 [1,1,0,0,0,0|2,0,0]=4 819 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210202 [1,1,0,0,0,0|2,0,0]=4 820 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100000219829_100000210202 [1,1,0,0,0,0|2,0,0]=4 821 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100102640331_200000210301 [1,1,0,0,0,0|2,0,0]=4 822 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100000219829_100000204670 [1,1,0,0,0,0|2,0,0]=4 823 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100102640331_200000210301 [1,1,0,0,0,0|2,0,0]=4 824 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100000219829_100000210202 [1,1,0,0,0,0|2,0,0]=4 825 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100102640331_200000210301 [1,1,0,0,0,0|2,0,0]=4 826 B11R1.22 CCN(C)c1ccc(cc1)I 2230a_100000743151_100000210202 [1,1,0,0,0,0|2,0,0]=4 827 B11R1.22 CCN(C)c1ccc(cc1)I 269982a_100000743151_100000204670 [1,1,0,0,0,0|2,0,0]=4 828 B11R1.22 CCN(C)c1ccc(cc1)I 34a_100000743151_100000210202 [1,1,0,0,0,0|2,0,0]=4 829 B11R1.22 CCN(C)c1ccc(cc1)O 2230a_100011337800_200000210301 [1,1,0,0,0,0|2,0,0]=4 830 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100000182112_100000204670 [1,1,0,0,0,0|2,0,0]=4 831 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100011337800_200000210301 [1,1,0,0,0,0|2,0,0]=4 832 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100000182112_100000210202 [1,1,0,0,0,0|2,0,0]=4 833 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100011337800_200000210301 [1,1,0,0,0,0|2,0,0]=4 834 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 2230a_100000219632_200025704644 [1,1,0,0,0,0|2,0,0]=4 835 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 269982a_100000219632_200025704644 [1,1,0,0,0,0|2,0,0]=4 836 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 34a_100000219632_200025704644 [1,1,0,0,0,0|2,0,0]=4 837 B11R1.22 CCN([13CH3])c1ccc(cc1)C 2230a_100000219985_200025704644 [1,1,0,0,0,0|2,0,0]=4 838 B11R1.22 CCN([13CH3])c1ccc(cc1)C 269982a_100000219985_200025704644 [1,1,0,0,0,0|2,0,0]=4 839 B11R1.22 CCN([13CH3])c1ccc(cc1)C 34a_100000219985_200025704644 [1,1,0,0,0,0|2,0,0]=4 840 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 2230a_100000220165_200025704644 [1,1,0,0,0,0|2,0,0]=4 841 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 269982a_100000220165_200025704644 [1,1,0,0,0,0|2,0,0]=4 842 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 34a_100000220165_200025704644 [1,1,0,0,0,0|2,0,0]=4 843 B11R1.22 CCN([13CH3])c1ccc(cc1)F 2230a_100102640331_200025704644 [1,1,0,0,0,0|2,0,0]=4 844 B11R1.22 CCN([13CH3])c1ccc(cc1)F 269982a_100102640331_200025704644 [1,1,0,0,0,0|2,0,0]=4 845 B11R1.22 CCN([13CH3])c1ccc(cc1)F 34a_100102640331_200025704644 [1,1,0,0,0,0|2,0,0]=4 846 B11R1.22 CCN([13CH3])c1ccc(cc1)O 2230a_100011337800_200025704644 [1,1,0,0,0,0|2,0,0]=4 847 B11R1.22 CCN([13CH3])c1ccc(cc1)O 269982a_100011337800_200025704644 [1,1,0,0,0,0|2,0,0]=4 848 B11R1.22 CCN([13CH3])c1ccc(cc1)O 34a_100011337800_200025704644 [1,1,0,0,0,0|2,0,0]=4 849 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [1,1,0,0,0,0|2,0,0]=4 850 B11R1.22 CNC(C)c1cc[n+](cc1)[O-] 269862a_106832991636_100000076990 [1,1,0,0,0,0|2,0,0]=4 851 B11R1.22 CNC(C)c1ccc(cc1)Br 2230a_106832991635_100000755118 [1,1,0,0,0,0|1,0,0]=3 852 B11R1.22 CNC(C)c1ccc(cc1)Br 269862a_106832991636_100000185794 [1,1,0,0,0,0|1,0,0]=3 853 B11R1.22 CNC(C)c1ccc(cc1)Br 34a_100102657272_100000755118 [1,1,0,0,0,0|1,0,0]=3 854 B11R1.22 CNC(C)c1ccc(cc1)C 2230a_106832991635_100011261388 [1,1,0,0,0,0|1,0,0]=3 855 B11R1.22 CNC(C)c1ccc(cc1)C 269862a_106832991636_100000185793 [1,1,0,0,0,0|1,0,0]=3 856 B11R1.22 CNC(C)c1ccc(cc1)C 34a_100102657272_100011261388 [1,1,0,0,0,0|1,0,0]=3 857 B11R1.22 CNC(C)c1ccc(cc1)C 7a_106832991635_100011261388 [1,1,0,0,0,0|1,0,0]=3 858 B11R1.22 CNC(C)c1ccc(cc1)Cl 2230a_106832991635_100000684792 [1,1,0,0,0,0|1,0,0]=3 859 B11R1.22 CNC(C)c1ccc(cc1)Cl 269862a_106832991636_100000185797 [1,1,0,0,0,0|1,0,0]=3 860 B11R1.22 CNC(C)c1ccc(cc1)Cl 7a_106832991635_100000684792 [1,1,0,0,0,0|1,0,0]=3 861 B11R1.22 CNC(C)c1ccc(cc1)F 2230a_106832991635_100000743420 [1,1,0,0,0,0|1,0,0]=3 862 B11R1.22 CNC(C)c1ccc(cc1)F 269862a_106832991636_100000185800 [1,1,0,0,0,0|1,0,0]=3 863 B11R1.22 CNC(C)c1ccc(cc1)F 34a_100102657272_100000743420 [1,1,0,0,0,0|1,0,0]=3 864 B11R1.22 CNC(C)c1ccc(cc1)F 7a_106832991635_100000743420 [1,1,0,0,0,0|1,0,0]=3 865 B11R1.22 CNC(C)c1ccc(cc1)I 269862a_106832991636_100000185465 [1,1,0,0,0,0|1,0,0]=3 866 B11R1.22 CNC(C)c1ccc(cc1)O 271570a_203496583355_100000231103 [1,1,0,0,0,0|1,0,0]=3 867 B11R1.22 CNC(C)c1ccc(cn1)Br 2230a_100000723930_200000210301 [1,1,0,0,0,0|2,0,0]=4 868 B11R1.22 CNC(C)c1ccc(cn1)Br 269862a_106832991636_100000686046 [1,1,0,0,0,0|2,0,0]=4 869 B11R1.22 CNC(C)c1ccc(cn1)Br 270004a_106832991635_100000686046 [1,1,0,0,0,0|2,0,0]=4 870 B11R1.22 CNC(C)c1ccc(cn1)C 269862a_106832991636_100000084104 [1,1,0,0,0,0|2,0,0]=4 871 B11R1.22 CNC(C)c1ccc(cn1)C 270004a_106832991635_100000084104 [1,1,0,0,0,0|2,0,0]=4 872 B11R1.22 CNC(C)c1ccc(cn1)Cl 269862a_106832991636_100000692432 [1,1,0,0,0,0|2,0,0]=4 873 B11R1.22 CNC(C)c1ccc(cn1)Cl 270004a_106832991635_100000692432 [1,1,0,0,0,0|2,0,0]=4 874 B11R1.22 CNC(C)c1ccc(cn1)F 269862a_106832991636_100102946652 [1,1,0,0,0,0|2,0,0]=4 875 B11R1.22 CNC(C)c1ccc(cn1)F 270004a_106832991635_100102946652 [1,1,0,0,0,0|2,0,0]=4 876 B11R1.22 CNC(C)c1ccc(nc1)Br 269862a_106832991636_100000684857 [1,1,0,0,0,0|2,0,0]=4 877 B11R1.22 CNC(C)c1ccc(nc1)C 2230a_100011815741_200000210301 [1,1,0,0,0,0|2,0,0]=4 878 B11R1.22 CNC(C)c1ccc(nc1)C 269862a_106832991636_100011280547 [1,1,0,0,0,0|2,0,0]=4 879 B11R1.22 CNC(C)c1ccc(nc1)C 34a_100011815741_200000210301 [1,1,0,0,0,0|2,0,0]=4 880 B11R1.22 CNC(C)c1ccc(nc1)Cl 269862a_106832991636_100000690552 [1,1,0,0,0,0|2,0,0]=4 881 B11R1.22 CNC(C)c1ccc(nc1)F 269862a_106832991636_100000085738 [1,1,0,0,0,0|2,0,0]=4 882 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_200000210301 [1,1,0,0,0,0|1,0,0]=3 883 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 34a_100025705893_200000210301 [1,1,0,0,0,0|1,0,0]=3 884 B11R1.22 CN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_200000210301 [1,1,0,0,0,0|1,0,0]=3 885 B11R1.22 CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000210301 [1,1,0,0,0,0|1,0,0]=3 886 B11R1.22 CN[C@@H](C)c1ccc(nc1)Br 2230a_100015387476_200000210301 [1,1,0,0,0,0|2,0,0]=4 887 B11R1.22 CN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_200000210301 [1,1,0,0,0,0|1,0,0]=3 888 B11R1.22 CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_200000210301 [1,1,0,0,0,0|1,0,0]=3 889 B11R1.22 CN[C@H](C)c1ccc(cc1)C 34a_100016988085_200000210301 [1,1,0,0,0,0|1,0,0]=3 890 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_200000210301 [1,1,0,0,0,0|1,0,0]=3 891 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_200000210301 [1,1,0,0,0,0|1,0,0]=3 892 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [1,1,0,0,0,0|0,0,2]=4 893 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100000745893_200000210301 [1,1,0,0,0,0|0,0,0]=2 894 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100138415774_100000755118 [1,1,0,0,0,0|0,0,0]=2 895 B11R1.22 COC(C)c1ccc(cc1)Br 7a_100000745893_200000210301 [1,1,0,0,0,0|0,0,0]=2 896 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [1,1,0,0,0,0|0,0,0]=2 897 B11R1.22 COC(C)c1ccc(cc1)F 34a_100000181323_200000210301 [1,1,0,0,0,0|0,0,0]=2 898 B11R1.22 COC(C)c1ccc(cc1)F 34a_100138415774_100000743420 [1,1,0,0,0,0|0,0,0]=2 899 B11R1.22 COC(C)c1ccc(cc1)F 7a_100000181323_200000210301 [1,1,0,0,0,0|0,0,0]=2 900 B11R1.22 COC(C)c1ccc(cc1)N 34a_100011216399_200000210301 [1,1,0,0,0,0|0,0,0]=2 901 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [1,1,0,0,0,0|0,0,0]=2 902 B11R1.22 COC(C)c1ccc(cn1)Br 34a_100012353650_200000210301 [1,1,0,0,0,0|1,0,0]=3 903 B11R1.22 COC(C)c1ccc(cn1)Br 7a_100012353650_200000210301 [1,1,0,0,0,0|1,0,0]=3 904 B11R1.22 COC(C)c1ccc(nc1)Br 34a_200010274204_200000210301 [1,1,0,0,0,0|1,0,0]=3 905 B11R1.22 COC(C)c1ccc(nc1)Br 7a_200010274204_200000210301 [1,1,0,0,0,0|1,0,0]=3 906 B11R1.22 COC(C)c1ccc(nc1)C 34a_200011815720_200000210301 [1,1,0,0,0,0|1,0,0]=3 907 B11R1.22 COC(C)c1ccc(nc1)C 7a_200011815720_200000210301 [1,1,0,0,0,0|1,0,0]=3 908 B11R1.22 COC(C)c1ccc(nc1)Cl 34a_200012017543_200000210301 [1,1,0,0,0,0|1,0,0]=3 909 B11R1.22 COC(C)c1ccc(nc1)Cl 7a_200012017543_200000210301 [1,1,0,0,0,0|1,0,0]=3 910 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200000210301 [1,1,0,0,0,0|0,0,0]=2 911 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_200000210301 [1,1,0,0,0,0|0,0,0]=2 912 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [1,1,0,0,0,0|0,0,0]=2 913 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [1,1,0,0,0,0|0,0,0]=2 914 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_100000755118_200000210301 [1,1,0,0,0,0|0,1,0]=3 915 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_200000210301_100000755118 [1,1,0,0,0,0|0,1,0]=3 916 B11R1.22 CSC(C)c1ccc(cc1)C 62a_100011261388_200000210301 [1,1,0,0,0,0|0,1,0]=3 917 B11R1.22 CSC(C)c1ccc(cc1)C 62a_200000210301_100011261388 [1,1,0,0,0,0|0,1,0]=3 918 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_100000684792_200000210301 [1,1,0,0,0,0|0,1,0]=3 919 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_200000210301_100000684792 [1,1,0,0,0,0|0,1,0]=3 920 B11R1.22 CSC(C)c1ccc(cc1)F 62a_100000743420_200000210301 [1,1,0,0,0,0|0,1,0]=3 921 B11R1.22 CSC(C)c1ccc(cc1)F 62a_200000210301_100000743420 [1,1,0,0,0,0|0,1,0]=3 922 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Br 2230a_100000720352_200025704644 [1,1,0,0,0,0|1,0,0]=3 923 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015205461_200025704644 [1,1,0,0,0,0|1,0,0]=3 924 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 34a_100015205461_200025704644 [1,1,0,0,0,0|1,0,0]=3 925 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 2230a_100025705893_200025704644 [1,1,0,0,0,0|1,0,0]=3 926 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 34a_100025705893_200025704644 [1,1,0,0,0,0|1,0,0]=3 927 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)I 2230a_100000753911_200025704644 [1,1,0,0,0,0|1,0,0]=3 928 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)O 2230a_100161106496_200025704644 [1,1,0,0,0,0|1,0,0]=3 929 B11R1.22 C[C@H](N[13CH3])c1ccc(nc1)Br 2230a_100015387476_200025704644 [1,1,0,0,0,0|2,0,0]=4 930 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 34a_100011852131_200025704644 [1,1,0,0,0,0|0,0,0]=2 931 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 7a_100011852131_200025704644 [1,1,0,0,0,0|0,0,0]=2 932 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_100011261388_200025704644 [1,1,0,0,0,0|0,1,0]=3 933 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_200025704644_100011261388 [1,1,0,0,0,0|0,1,0]=3 934 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100016988085_200025704644 [1,1,0,0,0,0|1,0,0]=3 935 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 34a_100016988085_200025704644 [1,1,0,0,0,0|1,0,0]=3 936 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [1,1,0,0,0,0|0,0,0]=2 937 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [1,1,0,0,0,0|0,0,0]=2 938 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 2230a_100011815741_200025704644 [1,1,0,0,0,0|2,0,0]=4 939 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 34a_100011815741_200025704644 [1,1,0,0,0,0|2,0,0]=4 940 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 34a_200011815720_200025704644 [1,1,0,0,0,0|1,0,0]=3 941 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 7a_200011815720_200025704644 [1,1,0,0,0,0|1,0,0]=3 942 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [1,1,0,0,0,0|2,0,0]=4 943 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [1,1,0,0,0,0|2,0,0]=4 944 B11R1.22 [2H]C(OC)c1ccc(cc1)F 34a_217856618577_200000210301 [1,1,0,0,0,0|1,0,0]=3 945 B11R1.22 [2H]C(OC)c1ccc(cc1)F 7a_217856618577_200000210301 [1,1,0,0,0,0|1,0,0]=3 946 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 34a_217856618577_200025704644 [1,1,0,0,0,0|1,0,0]=3 947 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 7a_217856618577_200025704644 [1,1,0,0,0,0|1,0,0]=3 948 B11R1.23 CC(N[13CH3])c1cccc(c1)Br 2230a_100020642005_200025704644 [1,1,0,0,0,0|1,0,0]=3 949 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 2230a_100102723534_200025704644 [1,1,0,0,0,0|1,0,0]=3 950 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 34a_100102723534_200025704644 [1,1,0,0,0,0|1,0,0]=3 951 B11R1.23 CC(N[13CH3])c1cccc(c1)O 2230a_100000740644_200025704644 [1,1,0,0,0,0|1,0,0]=3 952 B11R1.23 CC(N[13CH3])c1cccc(n1)Br 2230a_200010173468_200025704644 [1,1,0,0,0,0|2,0,0]=4 953 B11R1.23 CC(O[13CH3])c1cc(ccn1)Cl 7a_100000144657_200025704644 [1,1,0,0,0,0|1,0,0]=3 954 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 34a_100000246457_200025704644 [1,1,0,0,0,0|0,0,0]=2 955 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 7a_100000246457_200025704644 [1,1,0,0,0,0|0,0,0]=2 956 B11R1.23 CC(O[13CH3])c1cccc(c1)F 34a_100000744526_200025704644 [1,1,0,0,0,0|0,0,0]=2 957 B11R1.23 CC(O[13CH3])c1cccc(c1)F 7a_100000744526_200025704644 [1,1,0,0,0,0|0,0,0]=2 958 B11R1.23 CC(O[13CH3])c1cccc(c1)I 34a_100013085317_200025704644 [1,1,0,0,0,0|0,0,0]=2 959 B11R1.23 CC(O[13CH3])c1cccc(c1)I 7a_100013085317_200025704644 [1,1,0,0,0,0|0,0,0]=2 960 B11R1.23 CC(O[13CH3])c1cccc(c1)N 34a_100011217120_200025704644 [1,1,0,0,0,0|0,0,0]=2 961 B11R1.23 CC(O[13CH3])c1cccc(c1)N 7a_100011217120_200025704644 [1,1,0,0,0,0|0,0,0]=2 962 B11R1.23 CC(O[13CH3])c1cccc(n1)Br 7a_100009820884_200025704644 [1,1,0,0,0,0|1,0,0]=3 963 B11R1.23 CC(O[13CH3])c1cncc(c1)Br 34a_100012351597_200025704644 [1,1,0,0,0,0|1,0,0]=3 964 B11R1.23 CC(O[13CH3])c1cncc(c1)Br 7a_100012351597_200025704644 [1,1,0,0,0,0|1,0,0]=3 965 B11R1.23 CCC(O)c1cccc(c1)O 271570a_203496583355_200013212081 [1,1,0,0,0,0|1,0,0]=3 966 B11R1.23 CCN(C)c1cccc(c1)Br 2230a_100000219648_100000210202 [1,1,0,0,0,0|2,0,0]=4 967 B11R1.23 CCN(C)c1cccc(c1)Br 2230a_100000738899_200000210301 [1,1,0,0,0,0|2,0,0]=4 968 B11R1.23 CCN(C)c1cccc(c1)Br 269982a_100000219648_100000204670 [1,1,0,0,0,0|2,0,0]=4 969 B11R1.23 CCN(C)c1cccc(c1)Br 269982a_100000738899_200000210301 [1,1,0,0,0,0|2,0,0]=4 970 B11R1.23 CCN(C)c1cccc(c1)Br 34a_100000219648_100000210202 [1,1,0,0,0,0|2,0,0]=4 971 B11R1.23 CCN(C)c1cccc(c1)Br 34a_100000738899_200000210301 [1,1,0,0,0,0|2,0,0]=4 972 B11R1.23 CCN(C)c1cccc(c1)C 2230a_100000182157_200000210301 [1,1,0,0,0,0|2,0,0]=4 973 B11R1.23 CCN(C)c1cccc(c1)C 2230a_100000219674_100000210202 [1,1,0,0,0,0|2,0,0]=4 974 B11R1.23 CCN(C)c1cccc(c1)C 269982a_100000182157_200000210301 [1,1,0,0,0,0|2,0,0]=4 975 B11R1.23 CCN(C)c1cccc(c1)C 269982a_100000219674_100000204670 [1,1,0,0,0,0|2,0,0]=4 976 B11R1.23 CCN(C)c1cccc(c1)C 34a_100000182157_200000210301 [1,1,0,0,0,0|2,0,0]=4 977 B11R1.23 CCN(C)c1cccc(c1)C 34a_100000219674_100000210202 [1,1,0,0,0,0|2,0,0]=4 978 B11R1.23 CCN(C)c1cccc(c1)C 7a_100000182157_200000210301 [1,1,0,0,0,0|2,0,0]=4 979 B11R1.23 CCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210202 [1,1,0,0,0,0|2,0,0]=4 980 B11R1.23 CCN(C)c1cccc(c1)Cl 269982a_100000220044_100000204670 [1,1,0,0,0,0|2,0,0]=4 981 B11R1.23 CCN(C)c1cccc(c1)Cl 34a_100000220044_100000210202 [1,1,0,0,0,0|2,0,0]=4 982 B11R1.23 CCN(C)c1cccc(c1)F 2230a_100020633736_100000210202 [1,1,0,0,0,0|2,0,0]=4 983 B11R1.23 CCN(C)c1cccc(c1)F 269982a_100020633736_100000204670 [1,1,0,0,0,0|2,0,0]=4 984 B11R1.23 CCN(C)c1cccc(c1)F 34a_100020633736_100000210202 [1,1,0,0,0,0|2,0,0]=4 985 B11R1.23 CCN(C)c1cccc(c1)I 2230a_100000221217_100000210202 [1,1,0,0,0,0|2,0,0]=4 986 B11R1.23 CCN(C)c1cccc(c1)I 269982a_100000221217_100000204670 [1,1,0,0,0,0|2,0,0]=4 987 B11R1.23 CCN(C)c1cccc(c1)I 34a_100000221217_100000210202 [1,1,0,0,0,0|2,0,0]=4 988 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000717746_200000210301 [1,1,0,0,0,0|2,0,0]=4 989 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000756613_100000210202 [1,1,0,0,0,0|2,0,0]=4 990 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000717746_200000210301 [1,1,0,0,0,0|2,0,0]=4 991 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000756613_100000204670 [1,1,0,0,0,0|2,0,0]=4 992 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000717746_200000210301 [1,1,0,0,0,0|2,0,0]=4 993 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000756613_100000210202 [1,1,0,0,0,0|2,0,0]=4 994 B11R1.23 CCN([13CH3])c1cccc(c1)Br 2230a_100000738899_200025704644 [1,1,0,0,0,0|2,0,0]=4 995 B11R1.23 CCN([13CH3])c1cccc(c1)Br 269982a_100000738899_200025704644 [1,1,0,0,0,0|2,0,0]=4 996 B11R1.23 CCN([13CH3])c1cccc(c1)Br 34a_100000738899_200025704644 [1,1,0,0,0,0|2,0,0]=4 997 B11R1.23 CCN([13CH3])c1cccc(c1)C 2230a_100000182157_200025704644 [1,1,0,0,0,0|2,0,0]=4 998 B11R1.23 CCN([13CH3])c1cccc(c1)C 269982a_100000182157_200025704644 [1,1,0,0,0,0|2,0,0]=4 999 B11R1.23 CCN([13CH3])c1cccc(c1)C 34a_100000182157_200025704644 [1,1,0,0,0,0|2,0,0]=4 1000 B11R1.23 CCN([13CH3])c1cccc(c1)C 7a_100000182157_200025704644 [1,1,0,0,0,0|2,0,0]=4 1001 B11R1.23 CCN([13CH3])c1cccc(c1)O 2230a_100000717746_200025704644 [1,1,0,0,0,0|2,0,0]=4 1002 B11R1.23 CCN([13CH3])c1cccc(c1)O 269982a_100000717746_200025704644 [1,1,0,0,0,0|2,0,0]=4 1003 B11R1.23 CCN([13CH3])c1cccc(c1)O 34a_100000717746_200025704644 [1,1,0,0,0,0|2,0,0]=4 1004 B11R1.23 CC[C@H](N)c1cccc(c1)O 271570a_203496583355_100102422761 [1,1,0,0,0,0|2,0,0]=4 1005 B11R1.23 CNC(C)c1cc(ccn1)Br 269862a_106832991636_100000709912 [1,1,0,0,0,0|2,0,0]=4 1006 B11R1.23 CNC(C)c1cc(ccn1)Br 270004a_106832991635_100000709912 [1,1,0,0,0,0|2,0,0]=4 1007 B11R1.23 CNC(C)c1cc(ccn1)C 2230a_100011933787_200000210301 [1,1,0,0,0,0|2,0,0]=4 1008 B11R1.23 CNC(C)c1cc(ccn1)C 269862a_106832991636_100000728896 [1,1,0,0,0,0|2,0,0]=4 1009 B11R1.23 CNC(C)c1cc(ccn1)C 270004a_106832991635_100000728896 [1,1,0,0,0,0|2,0,0]=4 1010 B11R1.23 CNC(C)c1cc(ccn1)Cl 269862a_106832991636_100000099826 [1,1,0,0,0,0|2,0,0]=4 1011 B11R1.23 CNC(C)c1cc(ccn1)Cl 270004a_106832991635_100000099826 [1,1,0,0,0,0|2,0,0]=4 1012 B11R1.23 CNC(C)c1cccc(c1)Br 2230a_100020642005_200000210301 [1,1,0,0,0,0|1,0,0]=3 1013 B11R1.23 CNC(C)c1cccc(c1)Br 269862a_106832991636_100000210093 [1,1,0,0,0,0|1,0,0]=3 1014 B11R1.23 CNC(C)c1cccc(c1)C 269862a_106832991636_100000211476 [1,1,0,0,0,0|1,0,0]=3 1015 B11R1.23 CNC(C)c1cccc(c1)Cl 2230a_100102723534_200000210301 [1,1,0,0,0,0|1,0,0]=3 1016 B11R1.23 CNC(C)c1cccc(c1)Cl 269862a_106832991636_200000210964 [1,1,0,0,0,0|1,0,0]=3 1017 B11R1.23 CNC(C)c1cccc(c1)Cl 34a_100102723534_200000210301 [1,1,0,0,0,0|1,0,0]=3 1018 B11R1.23 CNC(C)c1cccc(c1)F 269862a_106832991636_100000187083 [1,1,0,0,0,0|1,0,0]=3 1019 B11R1.23 CNC(C)c1cccc(c1)I 269862a_106832991636_100011356966 [1,1,0,0,0,0|1,0,0]=3 1020 B11R1.23 CNC(C)c1cccc(c1)O 2230a_100000740644_200000210301 [1,1,0,0,0,0|1,0,0]=3 1021 B11R1.23 CNC(C)c1cccc(c1)O 269862a_106832991636_100000211620 [1,1,0,0,0,0|1,0,0]=3 1022 B11R1.23 CNC(C)c1cccc(c1)O 271570a_203496583355_100025717457 [1,1,0,0,0,0|1,0,0]=3 1023 B11R1.23 CNC(C)c1cccc(n1)Br 2230a_200010173468_200000210301 [1,1,0,0,0,0|2,0,0]=4 1024 B11R1.23 CNC(C)c1cccc(n1)Br 269862a_106832991636_100009816502 [1,1,0,0,0,0|2,0,0]=4 1025 B11R1.23 CNC(C)c1cccc(n1)C 2230a_100011877385_200000210301 [1,1,0,0,0,0|2,0,0]=4 1026 B11R1.23 CNC(C)c1cccc(n1)C 269862a_106832991636_100011877301 [1,1,0,0,0,0|2,0,0]=4 1027 B11R1.23 CNC(C)c1cccc(n1)Cl 269862a_106832991636_100000085735 [1,1,0,0,0,0|2,0,0]=4 1028 B11R1.23 CNC(C)c1cccc(n1)F 269862a_106832991636_100000092306 [1,1,0,0,0,0|2,0,0]=4 1029 B11R1.23 CNC(C)c1ccnc(c1)Br 269862a_106832991636_100010177706 [1,1,0,0,0,0|2,0,0]=4 1030 B11R1.23 CNC(C)c1ccnc(c1)C 269862a_106832991636_100011998260 [1,1,0,0,0,0|2,0,0]=4 1031 B11R1.23 CNC(C)c1ccnc(c1)Cl 269862a_106832991636_100000685609 [1,1,0,0,0,0|2,0,0]=4 1032 B11R1.23 CNC(C)c1cncc(c1)Br 269862a_106832991636_100011216243 [1,1,0,0,0,0|2,0,0]=4 1033 B11R1.23 CNC(C)c1cncc(c1)C 269862a_106832991636_100000702010 [1,1,0,0,0,0|2,0,0]=4 1034 B11R1.23 CNC(C)c1cncc(c1)F 269862a_106832991636_100000758212 [1,1,0,0,0,0|2,0,0]=4 1035 B11R1.23 CN[C@@H](C)c1cccc(n1)F 2230a_100025709760_200000210301 [1,1,0,0,0,0|2,0,0]=4 1036 B11R1.23 CN[C@@H](C)c1cccc(n1)F 34a_100025709760_200000210301 [1,1,0,0,0,0|2,0,0]=4 1037 B11R1.23 CN[C@H](C)c1cccc(c1)C 2230a_100000698126_200000210301 [1,1,0,0,0,0|1,0,0]=3 1038 B11R1.23 CN[C@H](C)c1cccc(c1)C 34a_100000698126_200000210301 [1,1,0,0,0,0|1,0,0]=3 1039 B11R1.23 CN[C@H](C)c1cccc(c1)F 2230a_100015193778_200000210301 [1,1,0,0,0,0|1,0,0]=3 1040 B11R1.23 CN[C@H](C)c1cccc(c1)F 34a_100015193778_200000210301 [1,1,0,0,0,0|1,0,0]=3 1041 B11R1.23 CN[C@H](C)c1cncc(c1)Br 2230a_100012350620_200000210301 [1,1,0,0,0,0|2,0,0]=4 1042 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [1,1,0,0,0,0|0,0,2]=4 1043 B11R1.23 COC(C)c1cc(ccn1)Cl 7a_100000144657_200000210301 [1,1,0,0,0,0|1,0,0]=3 1044 B11R1.23 COC(C)c1cccc(c1)Br 34a_100000246457_200000210301 [1,1,0,0,0,0|0,0,0]=2 1045 B11R1.23 COC(C)c1cccc(c1)Br 7a_100000246457_200000210301 [1,1,0,0,0,0|0,0,0]=2 1046 B11R1.23 COC(C)c1cccc(c1)C 34a_100000757818_200000210301 [1,1,0,0,0,0|0,0,0]=2 1047 B11R1.23 COC(C)c1cccc(c1)C 7a_100000757818_200000210301 [1,1,0,0,0,0|0,0,0]=2 1048 B11R1.23 COC(C)c1cccc(c1)F 34a_100000744526_200000210301 [1,1,0,0,0,0|0,0,0]=2 1049 B11R1.23 COC(C)c1cccc(c1)F 7a_100000744526_200000210301 [1,1,0,0,0,0|0,0,0]=2 1050 B11R1.23 COC(C)c1cccc(c1)I 34a_100013085317_200000210301 [1,1,0,0,0,0|0,0,0]=2 1051 B11R1.23 COC(C)c1cccc(c1)I 7a_100013085317_200000210301 [1,1,0,0,0,0|0,0,0]=2 1052 B11R1.23 COC(C)c1cccc(c1)N 34a_100011217120_200000210301 [1,1,0,0,0,0|0,0,0]=2 1053 B11R1.23 COC(C)c1cccc(c1)N 7a_100011217120_200000210301 [1,1,0,0,0,0|0,0,0]=2 1054 B11R1.23 COC(C)c1cccc(n1)Br 7a_100009820884_200000210301 [1,1,0,0,0,0|1,0,0]=3 1055 B11R1.23 COC(C)c1cccc(n1)C 34a_200011877368_200000210301 [1,1,0,0,0,0|1,0,0]=3 1056 B11R1.23 COC(C)c1cccc(n1)C 7a_200011877368_200000210301 [1,1,0,0,0,0|1,0,0]=3 1057 B11R1.23 COC(C)c1cncc(c1)Br 34a_100012351597_200000210301 [1,1,0,0,0,0|1,0,0]=3 1058 B11R1.23 COC(C)c1cncc(c1)Br 7a_100012351597_200000210301 [1,1,0,0,0,0|1,0,0]=3 1059 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_200000210301 [1,1,0,0,0,0|0,0,0]=2 1060 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_200000210301 [1,1,0,0,0,0|0,0,0]=2 1061 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 2230a_100015193778_200025704644 [1,1,0,0,0,0|1,0,0]=3 1062 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 34a_100015193778_200025704644 [1,1,0,0,0,0|1,0,0]=3 1063 B11R1.23 C[C@@H](N[13CH3])c1cncc(c1)Br 2230a_100012350620_200025704644 [1,1,0,0,0,0|2,0,0]=4 1064 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 34a_100000747380_200025704644 [1,1,0,0,0,0|0,0,0]=2 1065 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 7a_100000747380_200025704644 [1,1,0,0,0,0|0,0,0]=2 1066 B11R1.23 C[C@H](N[13CH3])c1cccc(n1)F 2230a_100025709760_200025704644 [1,1,0,0,0,0|2,0,0]=4 1067 B11R1.23 C[C@H](N[13CH3])c1cccc(n1)F 34a_100025709760_200025704644 [1,1,0,0,0,0|2,0,0]=4 1068 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 34a_100000757818_200025704644 [1,1,0,0,0,0|0,0,0]=2 1069 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 7a_100000757818_200025704644 [1,1,0,0,0,0|0,0,0]=2 1070 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 2230a_100000698126_200025704644 [1,1,0,0,0,0|1,0,0]=3 1071 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 34a_100000698126_200025704644 [1,1,0,0,0,0|1,0,0]=3 1072 B11R1.23 Cc1cccc(n1)C(C)N[13CH3] 2230a_100011877385_200025704644 [1,1,0,0,0,0|2,0,0]=4 1073 B11R1.23 Cc1cccc(n1)C(C)O[13CH3] 34a_200011877368_200025704644 [1,1,0,0,0,0|1,0,0]=3 1074 B11R1.23 Cc1cccc(n1)C(C)O[13CH3] 7a_200011877368_200025704644 [1,1,0,0,0,0|1,0,0]=3 1075 B11R1.23 Cc1ccnc(c1)C(C)N[13CH3] 2230a_100011933787_200025704644 [1,1,0,0,0,0|2,0,0]=4 1076 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [1,1,0,0,0,0|1,0,1]=4 1077 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [1,1,0,0,0,0|1,0,0]=3 1078 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [1,1,0,0,0,0|2,0,0]=4 1079 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [1,1,0,0,0,0|2,0,0]=4 1080 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [1,1,0,0,0,0|2,0,0]=4 1081 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [1,1,0,0,0,0|2,0,0]=4 1082 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [1,1,0,0,0,0|2,0,0]=4 1083 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [1,1,0,0,0,0|1,0,0]=3 1084 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [1,1,0,0,0,0|1,0,0]=3 1085 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [1,1,0,0,0,0|2,0,0]=4 1086 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210012_100000210206 [1,1,0,0,0,0|2,0,0]=4 1087 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210572_200000210301 [1,1,0,0,0,0|2,0,0]=4 1088 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210012_100000210206 [1,1,0,0,0,0|2,0,0]=4 1089 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210572_200000210301 [1,1,0,0,0,0|2,0,0]=4 1090 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210012_100000210206 [1,1,0,0,0,0|2,0,0]=4 1091 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210572_200000210301 [1,1,0,0,0,0|2,0,0]=4 1092 B11R1.36 CC(C)N(C)c1ccccc1 7a_100000210572_200000210301 [1,1,0,0,0,0|2,0,0]=4 1093 B11R1.36 CC(C)N([13CH3])c1ccccc1 2230a_100000210572_200025704644 [1,1,0,0,0,0|2,0,0]=4 1094 B11R1.36 CC(C)N([13CH3])c1ccccc1 269982a_100000210572_200025704644 [1,1,0,0,0,0|2,0,0]=4 1095 B11R1.36 CC(C)N([13CH3])c1ccccc1 34a_100000210572_200025704644 [1,1,0,0,0,0|2,0,0]=4 1096 B11R1.36 CC(C)N([13CH3])c1ccccc1 7a_100000210572_200025704644 [1,1,0,0,0,0|2,0,0]=4 1097 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100000195388_200000210301 [1,1,0,0,0,0|1,0,0]=3 1098 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100102631434_100000230085 [1,1,0,0,0,0|1,0,0]=3 1099 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100000195388_200000210301 [1,1,0,0,0,0|1,0,0]=3 1100 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100102631434_100000230085 [1,1,0,0,0,0|1,0,0]=3 1101 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 2230a_100000195388_200025704644 [1,1,0,0,0,0|1,0,0]=3 1102 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 269982a_100000195388_200025704644 [1,1,0,0,0,0|1,0,0]=3 1103 B11R1.36 CC(c1ccccn1)N(C)C 2230a_100000231138_200000210301 [1,1,0,0,0,0|2,0,0]=4 1104 B11R1.36 CC(c1ccccn1)N(C)C 269982a_100000231138_200000210301 [1,1,0,0,0,0|2,0,0]=4 1105 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 2230a_100000231138_200025704644 [1,1,0,0,0,0|2,0,0]=4 1106 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 269982a_100000231138_200025704644 [1,1,0,0,0,0|2,0,0]=4 1107 B11R1.36 CC(c1cccnc1)N(C)C 2230a_100000232774_200000210301 [1,1,0,0,0,0|2,0,0]=4 1108 B11R1.36 CC(c1cccnc1)N(C)C 269982a_100000232774_200000210301 [1,1,0,0,0,0|2,0,0]=4 1109 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 2230a_100000232774_200025704644 [1,1,0,0,0,0|2,0,0]=4 1110 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 269982a_100000232774_200025704644 [1,1,0,0,0,0|2,0,0]=4 1111 B11R1.36 CC(c1ccncc1)N(C)C 2230a_100000231139_200000210301 [1,1,0,0,0,0|2,0,0]=4 1112 B11R1.36 CC(c1ccncc1)N(C)C 269982a_100000231139_200000210301 [1,1,0,0,0,0|2,0,0]=4 1113 B11R1.36 CC(c1ccncc1)N(C)[13CH3] 2230a_100000231139_200025704644 [1,1,0,0,0,0|2,0,0]=4 1114 B11R1.36 CC(c1ccncc1)N(C)[13CH3] 269982a_100000231139_200025704644 [1,1,0,0,0,0|2,0,0]=4 1115 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [1,1,0,0,0,0|1,0,0]=3 1116 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [1,1,0,0,0,0|2,0,0]=4 1117 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [1,1,0,0,0,0|1,0,0]=3 1118 B11R1.222 CC(C#N)c1ccccc1O 271570a_203496583355_200010232107 [1,1,0,0,0,0|2,0,0]=4 1119 B11R1.222 CC(N[13CH3])c1ccccc1Br 2230a_100000181357_200025704644 [1,1,0,0,0,0|1,0,0]=3 1120 B11R1.222 CC(N[13CH3])c1ccccc1Cl 2230a_100000174978_200025704644 [1,1,0,0,0,0|1,0,0]=3 1121 B11R1.222 CC(N[13CH3])c1ccccc1Cl 34a_100000174978_200025704644 [1,1,0,0,0,0|1,0,0]=3 1122 B11R1.222 CC(N[13CH3])c1ccccc1F 2230a_100000181408_200025704644 [1,1,0,0,0,0|1,0,0]=3 1123 B11R1.222 CC(N[13CH3])c1ccccc1F 34a_100000181408_200025704644 [1,1,0,0,0,0|1,0,0]=3 1124 B11R1.222 CC(N[13CH3])c1cccnc1O 2230a_100159269580_200025704644 [1,1,0,0,0,0|2,0,0]=4 1125 B11R1.222 CC(N[13CH3])c1ncccc1Br 2230a_100159271932_200025704644 [1,1,0,0,0,0|2,0,0]=4 1126 B11R1.222 CC(O[13CH3])c1ccccc1Br 34a_100000702211_200025704644 [1,1,0,0,0,0|0,0,0]=2 1127 B11R1.222 CC(O[13CH3])c1ccccc1Br 7a_100000702211_200025704644 [1,1,0,0,0,0|0,0,0]=2 1128 B11R1.222 CC(O[13CH3])c1ccccc1Cl 34a_100000740796_200025704644 [1,1,0,0,0,0|0,0,0]=2 1129 B11R1.222 CC(O[13CH3])c1ccccc1Cl 7a_100000740796_200025704644 [1,1,0,0,0,0|0,0,0]=2 1130 B11R1.222 CC(O[13CH3])c1ccccc1F 34a_100000697922_200025704644 [1,1,0,0,0,0|0,0,0]=2 1131 B11R1.222 CC(O[13CH3])c1ccccc1F 7a_100000697922_200025704644 [1,1,0,0,0,0|0,0,0]=2 1132 B11R1.222 CC(O[13CH3])c1ccccc1N 7a_100011405641_200025704644 [1,1,0,0,0,0|0,0,0]=2 1133 B11R1.222 CC(O[13CH3])c1cccnc1Cl 34a_100009865335_200025704644 [1,1,0,0,0,0|1,0,0]=3 1134 B11R1.222 CC(O[13CH3])c1cccnc1Cl 7a_100009865335_200025704644 [1,1,0,0,0,0|1,0,0]=3 1135 B11R1.222 CC(O[13CH3])c1ccncc1F 34a_100012180158_200025704644 [1,1,0,0,0,0|1,0,0]=3 1136 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_100000181259_200025704644 [1,1,0,0,0,0|0,1,0]=3 1137 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_200025704644_100000181259 [1,1,0,0,0,0|0,1,0]=3 1138 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200000741388_200025704644 [1,1,0,0,0,0|0,1,0]=3 1139 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200025704644_200000741388 [1,1,0,0,0,0|0,1,0]=3 1140 B11R1.222 CCN(C)c1ccccc1Br 2230a_100020606079_100000210202 [1,1,0,0,0,0|2,0,0]=4 1141 B11R1.222 CCN(C)c1ccccc1Br 2230a_114873767003_200000210301 [1,1,0,0,0,0|2,0,0]=4 1142 B11R1.222 CCN(C)c1ccccc1Br 269982a_100020606079_100000204670 [1,1,0,0,0,0|2,0,0]=4 1143 B11R1.222 CCN(C)c1ccccc1Br 269982a_114873767003_200000210301 [1,1,0,0,0,0|2,0,0]=4 1144 B11R1.222 CCN(C)c1ccccc1Br 34a_100020606079_100000210202 [1,1,0,0,0,0|2,0,0]=4 1145 B11R1.222 CCN(C)c1ccccc1Br 34a_114873767003_200000210301 [1,1,0,0,0,0|2,0,0]=4 1146 B11R1.222 CCN(C)c1ccccc1C 2230a_100000211084_200000210301 [1,1,0,0,0,0|2,0,0]=4 1147 B11R1.222 CCN(C)c1ccccc1C 2230a_100000219699_100000210202 [1,1,0,0,0,0|2,0,0]=4 1148 B11R1.222 CCN(C)c1ccccc1C 269982a_100000211084_200000210301 [1,1,0,0,0,0|2,0,0]=4 1149 B11R1.222 CCN(C)c1ccccc1C 269982a_100000219699_100000204670 [1,1,0,0,0,0|2,0,0]=4 1150 B11R1.222 CCN(C)c1ccccc1C 34a_100000211084_200000210301 [1,1,0,0,0,0|2,0,0]=4 1151 B11R1.222 CCN(C)c1ccccc1C 34a_100000219699_100000210202 [1,1,0,0,0,0|2,0,0]=4 1152 B11R1.222 CCN(C)c1ccccc1Cl 2230a_100000219374_100000210202 [1,1,0,0,0,0|2,0,0]=4 1153 B11R1.222 CCN(C)c1ccccc1Cl 269982a_100000219374_100000204670 [1,1,0,0,0,0|2,0,0]=4 1154 B11R1.222 CCN(C)c1ccccc1Cl 34a_100000219374_100000210202 [1,1,0,0,0,0|2,0,0]=4 1155 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220357_100000210202 [1,1,0,0,0,0|2,0,0]=4 1156 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220365_200000210301 [1,1,0,0,0,0|2,0,0]=4 1157 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220357_100000204670 [1,1,0,0,0,0|2,0,0]=4 1158 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220365_200000210301 [1,1,0,0,0,0|2,0,0]=4 1159 B11R1.222 CCN(C)c1ccccc1F 34a_100000220357_100000210202 [1,1,0,0,0,0|2,0,0]=4 1160 B11R1.222 CCN(C)c1ccccc1F 34a_100000220365_200000210301 [1,1,0,0,0,0|2,0,0]=4 1161 B11R1.222 CCN(C)c1ccccc1F 38a_100000220357_100000204670 [1,1,0,0,0,0|2,0,0]=4 1162 B11R1.222 CCN(C)c1ccccc1O 269982a_100000033821_100000204670 [1,1,0,0,0,0|2,0,0]=4 1163 B11R1.222 CCN(C)c1ccccc1O 269982a_103624766699_200000210301 [1,1,0,0,0,0|2,0,0]=4 1164 B11R1.222 CCN([13CH3])c1ccccc1Br 2230a_114873767003_200025704644 [1,1,0,0,0,0|2,0,0]=4 1165 B11R1.222 CCN([13CH3])c1ccccc1Br 269982a_114873767003_200025704644 [1,1,0,0,0,0|2,0,0]=4 1166 B11R1.222 CCN([13CH3])c1ccccc1Br 34a_114873767003_200025704644 [1,1,0,0,0,0|2,0,0]=4 1167 B11R1.222 CCN([13CH3])c1ccccc1C 2230a_100000211084_200025704644 [1,1,0,0,0,0|2,0,0]=4 1168 B11R1.222 CCN([13CH3])c1ccccc1C 269982a_100000211084_200025704644 [1,1,0,0,0,0|2,0,0]=4 1169 B11R1.222 CCN([13CH3])c1ccccc1C 34a_100000211084_200025704644 [1,1,0,0,0,0|2,0,0]=4 1170 B11R1.222 CCN([13CH3])c1ccccc1F 2230a_100000220365_200025704644 [1,1,0,0,0,0|2,0,0]=4 1171 B11R1.222 CCN([13CH3])c1ccccc1F 269982a_100000220365_200025704644 [1,1,0,0,0,0|2,0,0]=4 1172 B11R1.222 CCN([13CH3])c1ccccc1F 34a_100000220365_200025704644 [1,1,0,0,0,0|2,0,0]=4 1173 B11R1.222 CCN([13CH3])c1ccccc1O 269982a_103624766699_200025704644 [1,1,0,0,0,0|2,0,0]=4 1174 B11R1.222 CNC(C)c1ccccc1Br 2230a_100000181357_200000210301 [1,1,0,0,0,0|1,0,0]=3 1175 B11R1.222 CNC(C)c1ccccc1Br 269862a_106832991636_100000187085 [1,1,0,0,0,0|1,0,0]=3 1176 B11R1.222 CNC(C)c1ccccc1C 2230a_100000181355_200000210301 [1,1,0,0,0,0|1,0,0]=3 1177 B11R1.222 CNC(C)c1ccccc1C 269862a_106832991636_100000211656 [1,1,0,0,0,0|1,0,0]=3 1178 B11R1.222 CNC(C)c1ccccc1C 34a_100000181355_200000210301 [1,1,0,0,0,0|1,0,0]=3 1179 B11R1.222 CNC(C)c1ccccc1Cl 2230a_100000174978_200000210301 [1,1,0,0,0,0|1,0,0]=3 1180 B11R1.222 CNC(C)c1ccccc1Cl 2230a_106832991635_100000181259 [1,1,0,0,0,0|1,0,0]=3 1181 B11R1.222 CNC(C)c1ccccc1Cl 269862a_106832991636_100000210134 [1,1,0,0,0,0|1,0,0]=3 1182 B11R1.222 CNC(C)c1ccccc1Cl 34a_100000174978_200000210301 [1,1,0,0,0,0|1,0,0]=3 1183 B11R1.222 CNC(C)c1ccccc1Cl 7a_106832991635_100000181259 [1,1,0,0,0,0|1,0,0]=3 1184 B11R1.222 CNC(C)c1ccccc1F 2230a_100000181408_200000210301 [1,1,0,0,0,0|1,0,0]=3 1185 B11R1.222 CNC(C)c1ccccc1F 2230a_106832991635_200000741388 [1,1,0,0,0,0|1,0,0]=3 1186 B11R1.222 CNC(C)c1ccccc1F 269862a_106832991636_100000210632 [1,1,0,0,0,0|1,0,0]=3 1187 B11R1.222 CNC(C)c1ccccc1F 34a_100000181408_200000210301 [1,1,0,0,0,0|1,0,0]=3 1188 B11R1.222 CNC(C)c1ccccc1F 34a_100102657272_200000741388 [1,1,0,0,0,0|1,0,0]=3 1189 B11R1.222 CNC(C)c1ccccc1F 7a_106832991635_200000741388 [1,1,0,0,0,0|1,0,0]=3 1190 B11R1.222 CNC(C)c1ccccc1I 269862a_106832991636_100000751169 [1,1,0,0,0,0|1,0,0]=3 1191 B11R1.222 CNC(C)c1ccccc1O 271570a_203496583355_100000692418 [1,1,0,0,0,0|1,0,0]=3 1192 B11R1.222 CNC(C)c1cccnc1C 269862a_106832991636_100011995960 [1,1,0,0,0,0|2,0,0]=4 1193 B11R1.222 CNC(C)c1cccnc1O 2230a_100159269580_200000210301 [1,1,0,0,0,0|2,0,0]=4 1194 B11R1.222 CNC(C)c1ccncc1Br 269862a_106832991636_100009993184 [1,1,0,0,0,0|2,0,0]=4 1195 B11R1.222 CNC(C)c1ccncc1Cl 269862a_106832991636_100012001414 [1,1,0,0,0,0|2,0,0]=4 1196 B11R1.222 CNC(C)c1ccncc1F 269862a_106832991636_100000727669 [1,1,0,0,0,0|2,0,0]=4 1197 B11R1.222 CNC(C)c1cnccc1C 269862a_106832991636_100000693228 [1,1,0,0,0,0|2,0,0]=4 1198 B11R1.222 CNC(C)c1cnccc1Cl 269862a_106832991636_100160469449 [1,1,0,0,0,0|2,0,0]=4 1199 B11R1.222 CNC(C)c1ncccc1Br 2230a_100159271932_200000210301 [1,1,0,0,0,0|2,0,0]=4 1200 B11R1.222 CNC(C)c1ncccc1Br 269862a_106832991636_100012348690 [1,1,0,0,0,0|2,0,0]=4 1201 B11R1.222 CNC(C)c1ncccc1C 2230a_100011536111_200000210301 [1,1,0,0,0,0|2,0,0]=4 1202 B11R1.222 CNC(C)c1ncccc1C 269862a_106832991636_100011536074 [1,1,0,0,0,0|2,0,0]=4 1203 B11R1.222 CNC(C)c1ncccc1Cl 269862a_106832991636_100015267551 [1,1,0,0,0,0|2,0,0]=4 1204 B11R1.222 CNC(C)c1ncccc1F 269862a_106832991636_100011997767 [1,1,0,0,0,0|2,0,0]=4 1205 B11R1.222 CNC(C)c1ncccc1I 269862a_106832991636_200015599370 [1,1,0,0,0,0|2,0,0]=4 1206 B11R1.222 CN[C@H](C)c1ccccc1O 2230a_100025703389_200000210301 [1,1,0,0,0,0|1,0,0]=3 1207 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [1,1,0,0,0,0|0,0,2]=4 1208 B11R1.222 COC(C)c1ccccc1Br 34a_100000702211_200000210301 [1,1,0,0,0,0|0,0,0]=2 1209 B11R1.222 COC(C)c1ccccc1Br 7a_100000702211_200000210301 [1,1,0,0,0,0|0,0,0]=2 1210 B11R1.222 COC(C)c1ccccc1C 34a_100000742021_200000210301 [1,1,0,0,0,0|0,0,0]=2 1211 B11R1.222 COC(C)c1ccccc1C 7a_100000742021_200000210301 [1,1,0,0,0,0|0,0,0]=2 1212 B11R1.222 COC(C)c1ccccc1Cl 34a_100000740796_200000210301 [1,1,0,0,0,0|0,0,0]=2 1213 B11R1.222 COC(C)c1ccccc1Cl 7a_100000740796_200000210301 [1,1,0,0,0,0|0,0,0]=2 1214 B11R1.222 COC(C)c1ccccc1F 34a_100000697922_200000210301 [1,1,0,0,0,0|0,0,0]=2 1215 B11R1.222 COC(C)c1ccccc1F 34a_100138415774_200000741388 [1,1,0,0,0,0|0,0,0]=2 1216 B11R1.222 COC(C)c1ccccc1F 7a_100000697922_200000210301 [1,1,0,0,0,0|0,0,0]=2 1217 B11R1.222 COC(C)c1ccccc1N 7a_100011405641_200000210301 [1,1,0,0,0,0|0,0,0]=2 1218 B11R1.222 COC(C)c1cccnc1Cl 34a_100009865335_200000210301 [1,1,0,0,0,0|1,0,0]=3 1219 B11R1.222 COC(C)c1cccnc1Cl 7a_100009865335_200000210301 [1,1,0,0,0,0|1,0,0]=3 1220 B11R1.222 COC(C)c1ccncc1F 34a_100012180158_200000210301 [1,1,0,0,0,0|1,0,0]=3 1221 B11R1.222 CO[C@@H](C)c1ncccc1Br 7a_100013325542_200000210301 [1,1,0,0,0,0|1,0,0]=3 1222 B11R1.222 CO[C@@H](C)c1ncccc1O 271570a_203496583355_106256553109 [1,1,0,0,0,0|1,0,0]=3 1223 B11R1.222 CSC(C)c1ccccc1Cl 62a_100000181259_200000210301 [1,1,0,0,0,0|0,1,0]=3 1224 B11R1.222 CSC(C)c1ccccc1Cl 62a_200000210301_100000181259 [1,1,0,0,0,0|0,1,0]=3 1225 B11R1.222 CSC(C)c1ccccc1F 62a_200000210301_200000741388 [1,1,0,0,0,0|0,1,0]=3 1226 B11R1.222 CSC(C)c1ccccc1F 62a_200000741388_200000210301 [1,1,0,0,0,0|0,1,0]=3 1227 B11R1.222 C[C@@H](N[13CH3])c1ccccc1O 2230a_100025703389_200025704644 [1,1,0,0,0,0|1,0,0]=3 1228 B11R1.222 C[C@H](O[13CH3])c1ncccc1Br 7a_100013325542_200025704644 [1,1,0,0,0,0|1,0,0]=3 1229 B11R1.222 Cc1ccccc1C(C)N[13CH3] 2230a_100000181355_200025704644 [1,1,0,0,0,0|1,0,0]=3 1230 B11R1.222 Cc1ccccc1C(C)N[13CH3] 34a_100000181355_200025704644 [1,1,0,0,0,0|1,0,0]=3 1231 B11R1.222 Cc1ccccc1C(C)O[13CH3] 34a_100000742021_200025704644 [1,1,0,0,0,0|0,0,0]=2 1232 B11R1.222 Cc1ccccc1C(C)O[13CH3] 7a_100000742021_200025704644 [1,1,0,0,0,0|0,0,0]=2 1233 B11R1.222 Cc1cccnc1C(C)N[13CH3] 2230a_100011536111_200025704644 [1,1,0,0,0,0|2,0,0]=4 1234 B11R1.222 NCC(O)c1ccccc1O 271570a_203496583355_100011236429 [1,1,0,0,0,0|2,0,0]=4 1235 B13R1.79 C#CC(Cc1ccccc1)OCC 34a_100000685211_100000210202 [0,1,0,0,0,1|1,0,1]=4 1236 B13R1.79 C#CC(Cc1ccccc1)OCC 7a_100000685211_100000210202 [0,1,0,0,0,1|1,0,1]=4 1237 B13R1.79 C#CC(Cc1ccccc1)OCF 34a_100000685211_100015361967 [0,1,0,0,0,1|1,0,1]=4 1238 B13R1.79 C#CC(Cc1ccccc1)OCF 7a_100000685211_100015361967 [0,1,0,0,0,1|1,0,1]=4 1239 B13R1.79 CCC(Cc1ccccc1)OCF 7a_100000760156_100015361967 [0,1,0,0,0,1|1,0,0]=3 1240 B13R1.79 CCCC(CC)Oc1ccccc1 7a_100000210340_100011219200 [0,1,0,0,0,1|2,0,0]=4 1241 B13R1.79 CCCC(CC)Sc1ccccc1 62a_100000719477_100011219200 [0,1,0,0,0,1|2,0,0]=4 1242 B13R1.79 CCCC(CC)Sc1ccccc1 62a_100011219200_100000041952 [0,1,0,0,0,1|2,0,0]=4 1243 B13R1.79 CCN(COC)Cc1ccccc1 2230a_100000186914_100000766300 [0,1,0,0,0,1|2,0,0]=4 1244 B13R1.79 CCN(COC)Cc1ccccc1 269982a_100000186914_100000766300 [0,1,0,0,0,1|2,0,0]=4 1245 B13R1.79 CCNC(CC)Cc1ccccc1 270004a_100015525214_100000212045 [0,1,0,0,0,1|2,0,0]=4 1246 B13R1.79 CCOC(CC)Cc1ccccc1 7a_100000760156_100000210202 [0,1,0,0,0,1|1,0,0]=3 1247 B13R1.79 CCOC(CN)Cc1ccccc1 34a_100000752270_100000210202 [0,1,0,0,0,1|2,0,0]=4 1248 B13R1.79 CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210202 [0,1,0,0,0,1|2,0,0]=4 1249 B13R1.79 CNC(COC)Cc1ccccc1 2230a_100000766165_200000210301 [0,1,0,0,0,1|1,0,0]=3 1250 B13R1.79 CN[C@H](COC)Cc1ccccc1 34a_100016995599_200000210301 [0,1,0,0,0,1|1,0,0]=3 1251 B13R1.79 CN[C@H](CO[13CH3])Cc1ccccc1 34a_100016995599_200025704644 [0,1,0,0,0,1|1,0,0]=3 1252 B13R1.79 COCC(C#N)Cc1ccccc1 34a_100000684917_200000210301 [0,1,0,0,0,1|2,0,0]=4 1253 B13R1.79 COCC(C#N)Cc1ccccc1 7a_100000684917_200000210301 [0,1,0,0,0,1|2,0,0]=4 1254 B13R1.79 COCC(CN)Cc1ccccc1 34a_100160572655_200000210301 [0,1,0,0,0,1|2,0,0]=4 1255 B13R1.79 COCC(Cc1ccccc1)N[13CH3] 2230a_100000766165_200025704644 [0,1,0,0,0,1|1,0,0]=3 1256 B13R1.79 FCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100015361967 [0,1,0,0,0,1|2,0,0]=4 1257 B13R1.79 NCC(Cc1ccccc1)OCF 34a_100000752270_100015361967 [0,1,0,0,0,1|2,0,0]=4 1258 B13R1.79 [13CH3]OCC(C#N)Cc1ccccc1 34a_100000684917_200025704644 [0,1,0,0,0,1|2,0,0]=4 1259 B13R1.79 [13CH3]OCC(C#N)Cc1ccccc1 7a_100000684917_200025704644 [0,1,0,0,0,1|2,0,0]=4 1260 B13R1.79 [13CH3]OCC(CN)Cc1ccccc1 34a_100160572655_200025704644 [0,1,0,0,0,1|2,0,0]=4 1261 B13R1.86 CCC(CC)C(=O)c1ccccc1 1458a_100000185807_100000210505 [0,1,0,0,0,1|2,0,0]=4 1262 B13R1.86 CCC(CC)N(C)c1ccccc1 269982a_100000210012_100000210505 [0,1,0,0,0,1|2,0,0]=4 1263 B13R1.145 CCC(CC)Oc1ccc(cc1)Br 7a_100000185759_100000210505 [0,1,0,0,0,1|2,0,0]=4 1264 B13R1.145 CCC(CC)Oc1ccc(cc1)C 7a_100000210336_100000210505 [0,1,0,0,0,1|2,0,0]=4 1265 B13R1.145 CCC(CC)Oc1ccc(cc1)Cl 7a_100000210216_100000210505 [0,1,0,0,0,1|2,0,0]=4 1266 B13R1.145 CCC(CC)Oc1ccc(cc1)I 7a_100000212066_100000210505 [0,1,0,0,0,1|2,0,0]=4 1267 B13R1.145 CCC(CC)Sc1ccc(cc1)Br 62a_100000210505_100000752885 [0,1,0,0,0,1|2,0,0]=4 1268 B13R1.145 CCC(CC)Sc1ccc(cc1)Br 62a_100000752885_100000210505 [0,1,0,0,0,1|2,0,0]=4 1269 B13R1.145 CCC(CC)Sc1ccc(cc1)C 62a_100000186775_100000210505 [0,1,0,0,0,1|2,0,0]=4 1270 B13R1.145 CCC(CC)Sc1ccc(cc1)C 62a_100000210505_100000186775 [0,1,0,0,0,1|2,0,0]=4 1271 B13R1.145 CCC(CC)Sc1ccc(cc1)Cl 62a_100000210505_100000755918 [0,1,0,0,0,1|2,0,0]=4 1272 B13R1.145 CCC(CC)Sc1ccc(cc1)Cl 62a_100000755918_100000210505 [0,1,0,0,0,1|2,0,0]=4 1273 B13R1.145 CCC(CC)Sc1ccc(cc1)F 62a_100000210505_100000211213 [0,1,0,0,0,1|2,0,0]=4 1274 B13R1.145 CCC(CC)Sc1ccc(cc1)F 62a_100000211213_100000210505 [0,1,0,0,0,1|2,0,0]=4 1275 B13R1.145 CCC(CC)Sc1ccc(cc1)N 62a_100000185761_100000210505 [0,1,0,0,0,1|2,0,0]=4 1276 B13R1.145 CCC(CC)Sc1ccc(cc1)N 62a_100000210505_100000185761 [0,1,0,0,0,1|2,0,0]=4 1277 B13R1.145 CCC(CC)Sc1ccc(cc1)O 62a_100000210505_100000185759 [0,1,0,0,0,1|2,0,0]=4 1278 B13R1.145 COC(C#N)Cc1ccc(cc1)C 34a_100138415774_100000697087 [0,1,0,0,0,1|2,0,0]=4 1279 B13R1.146 CCC(CC)Oc1cccc(c1)Br 7a_100000210342_100000210505 [0,1,0,0,0,1|2,0,0]=4 1280 B13R1.146 CCC(CC)Oc1cccc(c1)C 7a_100000210337_100000210505 [0,1,0,0,0,1|2,0,0]=4 1281 B13R1.146 CCC(CC)Oc1cccc(c1)Cl 7a_100000210295_100000210505 [0,1,0,0,0,1|2,0,0]=4 1282 B13R1.146 CCC(CC)Oc1cccc(c1)F 7a_100000210426_100000210505 [0,1,0,0,0,1|2,0,0]=4 1283 B13R1.146 CCC(CC)Oc1cccc(c1)I 7a_100000211634_100000210505 [0,1,0,0,0,1|2,0,0]=4 1284 B13R1.146 CCC(CC)Sc1cccc(c1)Br 62a_100000210505_100000691529 [0,1,0,0,0,1|2,0,0]=4 1285 B13R1.146 CCC(CC)Sc1cccc(c1)Br 62a_100000691529_100000210505 [0,1,0,0,0,1|2,0,0]=4 1286 B13R1.146 CCC(CC)Sc1cccc(c1)C 62a_100000210505_100011215228 [0,1,0,0,0,1|2,0,0]=4 1287 B13R1.146 CCC(CC)Sc1cccc(c1)C 62a_100011215228_100000210505 [0,1,0,0,0,1|2,0,0]=4 1288 B13R1.146 CCC(CC)Sc1cccc(c1)Cl 62a_100000210505_100000699651 [0,1,0,0,0,1|2,0,0]=4 1289 B13R1.146 CCC(CC)Sc1cccc(c1)Cl 62a_100000699651_100000210505 [0,1,0,0,0,1|2,0,0]=4 1290 B13R1.146 CCC(CC)Sc1cccc(c1)F 62a_100000210505_100000685547 [0,1,0,0,0,1|2,0,0]=4 1291 B13R1.146 CCC(CC)Sc1cccc(c1)F 62a_100000685547_100000210505 [0,1,0,0,0,1|2,0,0]=4 1292 B13R1.146 CCC(CC)Sc1cccc(c1)N 62a_100000210019_100000210505 [0,1,0,0,0,1|2,0,0]=4 1293 B13R1.146 CCC(CC)Sc1cccc(c1)N 62a_100000210505_100000210019 [0,1,0,0,0,1|2,0,0]=4 1294 B13R1.146 CCC(CC)Sc1cccc(c1)O 62a_100000210505_100000211634 [0,1,0,0,0,1|2,0,0]=4 1295 B13R1.146 CCC(CC)Sc1cccc(c1)[S] 62a_100000210505_114929384022 [0,1,0,0,0,1|2,0,0]=4 1296 B13R1.146 CCC(CC)Sc1cccc(c1)[S] 62a_114929384022_100000210505 [0,1,0,0,0,1|2,0,0]=4 1297 B13R1.335 CCC(CC)Oc1ccccc1Br 7a_100000181306_100000210505 [0,1,0,0,0,1|2,0,0]=4 1298 B13R1.335 CCC(CC)Oc1ccccc1C 7a_100000210338_100000210505 [0,1,0,0,0,1|2,0,0]=4 1299 B13R1.335 CCC(CC)Oc1ccccc1Cl 7a_100000210172_100000210505 [0,1,0,0,0,1|2,0,0]=4 1300 B13R1.335 CCC(CC)Oc1ccccc1F 7a_100000210171_100000210505 [0,1,0,0,0,1|2,0,0]=4 1301 B13R1.335 CCC(CC)Oc1ccccc1I 7a_100000739446_100000210505 [0,1,0,0,0,1|2,0,0]=4 1302 B13R1.335 CCC(CC)Oc1ccccc1N 7a_100000185747_100000210505 [0,1,0,0,0,1|2,0,0]=4 1303 B13R1.335 CCC(CC)Sc1ccccc1Br 62a_100000210505_100000695589 [0,1,0,0,0,1|2,0,0]=4 1304 B13R1.335 CCC(CC)Sc1ccccc1Br 62a_100000695589_100000210505 [0,1,0,0,0,1|2,0,0]=4 1305 B13R1.335 CCC(CC)Sc1ccccc1C 62a_100000210505_100000210755 [0,1,0,0,0,1|2,0,0]=4 1306 B13R1.335 CCC(CC)Sc1ccccc1C 62a_100000210755_100000210505 [0,1,0,0,0,1|2,0,0]=4 1307 B13R1.335 CCC(CC)Sc1ccccc1Cl 62a_100000210505_100000764095 [0,1,0,0,0,1|2,0,0]=4 1308 B13R1.335 CCC(CC)Sc1ccccc1Cl 62a_100000764095_100000210505 [0,1,0,0,0,1|2,0,0]=4 1309 B13R1.335 CCC(CC)Sc1ccccc1F 62a_100000210505_100011215700 [0,1,0,0,0,1|2,0,0]=4 1310 B13R1.335 CCC(CC)Sc1ccccc1F 62a_100011215700_100000210505 [0,1,0,0,0,1|2,0,0]=4 1311 B13R1.335 CCC(CC)Sc1ccccc1N 62a_100000210017_100000210505 [0,1,0,0,0,1|2,0,0]=4 1312 B13R1.335 CCC(CC)Sc1ccccc1N 62a_100000210505_100000210017 [0,1,0,0,0,1|2,0,0]=4 1313 B13R1.335 CCC(CC)Sc1ccccc1O 62a_100000210505_100000739446 [0,1,0,0,0,1|2,0,0]=4 1314 B13R1.335 CCC(CC)Sc1ccccc1O 62a_100000739446_100000210505 [0,1,0,0,0,1|2,0,0]=4 1315 B13R1.418 CCC(Cc1ccccc1)N(C)C 270004a_100102631434_100000212045 [0,1,0,0,0,1|2,0,0]=4 1316 B13R1.418 CCC(Oc1ccccc1)C(=O)C 1458a_100000211556_200000210301 [0,1,0,0,0,1|2,0,0]=4 1317 B13R1.418 CCC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000211556_200025704644 [0,1,0,0,0,1|2,0,0]=4 1318 B13R1.418 CCC(Sc1ccccc1)C(=O)C 1458a_100000230495_200000210301 [0,1,0,0,0,1|2,0,0]=4 1319 B13R1.418 CCC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000230495_200025704644 [0,1,0,0,0,1|2,0,0]=4 1320 B13R1.418 CNC(Cc1ccccc1)C(C)C 270004a_106832991635_200000703227 [0,1,0,0,0,1|2,0,0]=4 1321 B13R1.3080 CCC(C)(CC)Oc1ccccc1 7a_100000210340_100009817345 [0,1,0,0,0,1|2,0,0]=4 1322 B13R1.3080 CCC(C)(CC)Sc1ccccc1 62a_100000719477_100009817345 [0,1,0,0,0,1|2,0,0]=4 1323 B13R1.3080 CCC(C)(CC)Sc1ccccc1 62a_100009817345_100000041952 [0,1,0,0,0,1|2,0,0]=4 1324 B13R1.3080 CCC(C)(Cc1ccccc1)OC 7a_100011346069_200000210301 [0,1,0,0,0,1|1,0,0]=3 1325 B13R1.3080 CCC(C)(Cc1ccccc1)O[13CH3] 7a_100011346069_200025704644 [0,1,0,0,0,1|1,0,0]=3 1326 B13R1.1 C#CC(OCC)c1ccc(cc1)Cl 34a_100011470666_100000210202 [0,2,0,0,0,0|1,0,1]=4 1327 B13R1.1 C#CC(OCC)c1ccc(cc1)Cl 7a_100011470666_100000210202 [0,2,0,0,0,0|1,0,1]=4 1328 B13R1.1 C#CC(OCF)c1ccc(cc1)Cl 34a_100011470666_100015361967 [0,2,0,0,0,0|1,0,1]=4 1329 B13R1.1 C#CC(OCF)c1ccc(cc1)Cl 7a_100011470666_100015361967 [0,2,0,0,0,0|1,0,1]=4 1330 B13R1.1 C=CCC(OC)c1ccc(cc1)Br 34a_100011466436_200000210301 [0,2,0,0,0,0|1,0,1]=4 1331 B13R1.1 C=CCC(OC)c1ccc(cc1)Br 7a_100011466436_200000210301 [0,2,0,0,0,0|1,0,1]=4 1332 B13R1.1 C=CCC(OC)c1ccc(cc1)Cl 34a_200011466439_200000210301 [0,2,0,0,0,0|1,0,1]=4 1333 B13R1.1 C=CCC(OC)c1ccc(cc1)Cl 7a_200011466439_200000210301 [0,2,0,0,0,0|1,0,1]=4 1334 B13R1.1 C=CCC(O[13CH3])c1ccc(cc1)Br 34a_100011466436_200025704644 [0,2,0,0,0,0|1,0,1]=4 1335 B13R1.1 C=CCC(O[13CH3])c1ccc(cc1)Br 7a_100011466436_200025704644 [0,2,0,0,0,0|1,0,1]=4 1336 B13R1.1 C=CCC(O[13CH3])c1ccc(cc1)Cl 34a_200011466439_200025704644 [0,2,0,0,0,0|1,0,1]=4 1337 B13R1.1 C=CCC(O[13CH3])c1ccc(cc1)Cl 7a_200011466439_200025704644 [0,2,0,0,0,0|1,0,1]=4 1338 B13R1.1 CCC(NCF)c1ccc(cc1)C 34a_100000749201_100015361967 [0,2,0,0,0,0|2,0,0]=4 1339 B13R1.1 CCC(NCF)c1ccc(cc1)F 34a_100011191751_100015361967 [0,2,0,0,0,0|2,0,0]=4 1340 B13R1.1 CCC(NCF)c1ccc(cc1)O 34a_100015187210_100015361967 [0,2,0,0,0,0|2,0,0]=4 1341 B13R1.1 CCC(OCF)c1ccc(cc1)Br 34a_100000246506_100015361967 [0,2,0,0,0,0|1,0,0]=3 1342 B13R1.1 CCC(OCF)c1ccc(cc1)Br 7a_100000246506_100015361967 [0,2,0,0,0,0|1,0,0]=3 1343 B13R1.1 CCC(OCF)c1ccc(cc1)C 34a_100000246521_100015361967 [0,2,0,0,0,0|1,0,0]=3 1344 B13R1.1 CCC(OCF)c1ccc(cc1)C 7a_100000246521_100015361967 [0,2,0,0,0,0|1,0,0]=3 1345 B13R1.1 CCC(OCF)c1ccc(cc1)Cl 34a_100000246471_100015361967 [0,2,0,0,0,0|1,0,0]=3 1346 B13R1.1 CCC(OCF)c1ccc(cc1)Cl 7a_100000246471_100015361967 [0,2,0,0,0,0|1,0,0]=3 1347 B13R1.1 CCC(OCF)c1ccc(cc1)F 34a_100000246474_100015361967 [0,2,0,0,0,0|1,0,0]=3 1348 B13R1.1 CCC(OCF)c1ccc(cc1)F 7a_100000246474_100015361967 [0,2,0,0,0,0|1,0,0]=3 1349 B13R1.1 CCCC(NC)c1ccc(cc1)Br 269862a_106832991636_100011267722 [0,2,0,0,0,0|2,0,0]=4 1350 B13R1.1 CCCC(NC)c1ccc(cc1)C 269862a_106832991636_200011216210 [0,2,0,0,0,0|2,0,0]=4 1351 B13R1.1 CCCC(NC)c1ccc(cc1)Cl 269862a_106832991636_100000211515 [0,2,0,0,0,0|2,0,0]=4 1352 B13R1.1 CCCC(NC)c1ccc(cc1)F 269862a_106832991636_100011267477 [0,2,0,0,0,0|2,0,0]=4 1353 B13R1.1 CCCC(OC)c1ccc(cc1)Br 34a_100011350873_200000210301 [0,2,0,0,0,0|1,0,0]=3 1354 B13R1.1 CCCC(OC)c1ccc(cc1)Br 7a_100011350873_200000210301 [0,2,0,0,0,0|1,0,0]=3 1355 B13R1.1 CCCC(O[13CH3])c1ccc(cc1)Br 34a_100011350873_200025704644 [0,2,0,0,0,0|1,0,0]=3 1356 B13R1.1 CCCC(O[13CH3])c1ccc(cc1)Br 7a_100011350873_200025704644 [0,2,0,0,0,0|1,0,0]=3 1357 B13R1.1 CCC[C@@H](NC)c1ccc(cc1)C 2230a_200020633650_200000210301 [0,2,0,0,0,0|2,0,0]=4 1358 B13R1.1 CCC[C@@H](NC)c1ccc(cc1)C 34a_200020633650_200000210301 [0,2,0,0,0,0|2,0,0]=4 1359 B13R1.1 CCC[C@@H](N[13CH3])c1ccc(cc1)C 2230a_200020633650_200025704644 [0,2,0,0,0,0|2,0,0]=4 1360 B13R1.1 CCC[C@@H](N[13CH3])c1ccc(cc1)C 34a_200020633650_200025704644 [0,2,0,0,0,0|2,0,0]=4 1361 B13R1.1 CCC[C@H](NC)c1ccc(cc1)F 2230a_100020612123_200000210301 [0,2,0,0,0,0|2,0,0]=4 1362 B13R1.1 CCC[C@H](NC)c1ccc(cc1)F 34a_100020612123_200000210301 [0,2,0,0,0,0|2,0,0]=4 1363 B13R1.1 CCC[C@H](N[13CH3])c1ccc(cc1)F 2230a_100020612123_200025704644 [0,2,0,0,0,0|2,0,0]=4 1364 B13R1.1 CCC[C@H](N[13CH3])c1ccc(cc1)F 34a_100020612123_200025704644 [0,2,0,0,0,0|2,0,0]=4 1365 B13R1.1 CCN(COC)c1ccc(cc1)Br 2230a_100000219632_100000766300 [0,2,0,0,0,0|2,0,0]=4 1366 B13R1.1 CCN(COC)c1ccc(cc1)Br 269982a_100000219632_100000766300 [0,2,0,0,0,0|2,0,0]=4 1367 B13R1.1 CCN(COC)c1ccc(cc1)C 2230a_100000219985_100000766300 [0,2,0,0,0,0|2,0,0]=4 1368 B13R1.1 CCN(COC)c1ccc(cc1)C 269982a_100000219985_100000766300 [0,2,0,0,0,0|2,0,0]=4 1369 B13R1.1 CCN(COC)c1ccc(cc1)Cl 2230a_100000220165_100000766300 [0,2,0,0,0,0|2,0,0]=4 1370 B13R1.1 CCN(COC)c1ccc(cc1)Cl 269982a_100000220165_100000766300 [0,2,0,0,0,0|2,0,0]=4 1371 B13R1.1 CCN(COC)c1ccc(cc1)F 2230a_100102640331_100000766300 [0,2,0,0,0,0|2,0,0]=4 1372 B13R1.1 CCN(COC)c1ccc(cc1)F 269982a_100102640331_100000766300 [0,2,0,0,0,0|2,0,0]=4 1373 B13R1.1 CCN(COC)c1ccc(cc1)O 2230a_100011337800_100000766300 [0,2,0,0,0,0|2,0,0]=4 1374 B13R1.1 CCN(COC)c1ccc(cc1)O 269982a_100011337800_100000766300 [0,2,0,0,0,0|2,0,0]=4 1375 B13R1.1 CCNC(CC)c1ccc(cc1)Br 269862a_100015525214_100000211647 [0,2,0,0,0,0|2,0,0]=4 1376 B13R1.1 CCNC(CC)c1ccc(cc1)C 2230a_100000749201_100000210202 [0,2,0,0,0,0|2,0,0]=4 1377 B13R1.1 CCNC(CC)c1ccc(cc1)C 269862a_100015525214_100000185863 [0,2,0,0,0,0|2,0,0]=4 1378 B13R1.1 CCNC(CC)c1ccc(cc1)C 34a_100000749201_100000210202 [0,2,0,0,0,0|2,0,0]=4 1379 B13R1.1 CCNC(CC)c1ccc(cc1)Cl 269862a_100015525214_100000210983 [0,2,0,0,0,0|2,0,0]=4 1380 B13R1.1 CCNC(CC)c1ccc(cc1)F 2230a_100011191751_100000210202 [0,2,0,0,0,0|2,0,0]=4 1381 B13R1.1 CCNC(CC)c1ccc(cc1)F 269862a_100015525214_100000211089 [0,2,0,0,0,0|2,0,0]=4 1382 B13R1.1 CCNC(CC)c1ccc(cc1)F 34a_100011191751_100000210202 [0,2,0,0,0,0|2,0,0]=4 1383 B13R1.1 CCNC(CC)c1ccc(cc1)I 269862a_100015525214_100000763097 [0,2,0,0,0,0|2,0,0]=4 1384 B13R1.1 CCNC(CC)c1ccc(cc1)O 34a_100015187210_100000210202 [0,2,0,0,0,0|2,0,0]=4 1385 B13R1.1 CCN[C@@H](CC)c1ccc(cc1)Br 2230a_100025736560_100000210202 [0,2,0,0,0,0|2,0,0]=4 1386 B13R1.1 CCN[C@@H](CC)c1ccc(cc1)Br 34a_100025736560_100000210202 [0,2,0,0,0,0|2,0,0]=4 1387 B13R1.1 CCN[C@@H](CC)c1ccc(cc1)Cl 2230a_100015186824_100000210202 [0,2,0,0,0,0|2,0,0]=4 1388 B13R1.1 CCN[C@@H](CC)c1ccc(cc1)Cl 34a_100015186824_100000210202 [0,2,0,0,0,0|2,0,0]=4 1389 B13R1.1 CCOC(CC)c1ccc(cc1)Br 34a_100000246506_100000210202 [0,2,0,0,0,0|1,0,0]=3 1390 B13R1.1 CCOC(CC)c1ccc(cc1)Br 7a_100000246506_100000210202 [0,2,0,0,0,0|1,0,0]=3 1391 B13R1.1 CCOC(CC)c1ccc(cc1)C 34a_100000246521_100000210202 [0,2,0,0,0,0|1,0,0]=3 1392 B13R1.1 CCOC(CC)c1ccc(cc1)C 7a_100000246521_100000210202 [0,2,0,0,0,0|1,0,0]=3 1393 B13R1.1 CCOC(CC)c1ccc(cc1)Cl 34a_100000246471_100000210202 [0,2,0,0,0,0|1,0,0]=3 1394 B13R1.1 CCOC(CC)c1ccc(cc1)Cl 7a_100000246471_100000210202 [0,2,0,0,0,0|1,0,0]=3 1395 B13R1.1 CCOC(CC)c1ccc(cc1)F 34a_100000246474_100000210202 [0,2,0,0,0,0|1,0,0]=3 1396 B13R1.1 CCOC(CC)c1ccc(cc1)F 7a_100000246474_100000210202 [0,2,0,0,0,0|1,0,0]=3 1397 B13R1.1 CCOC(CCl)c1ccc(cc1)Cl 34a_200011996143_100000210202 [0,2,0,0,0,0|2,0,0]=4 1398 B13R1.1 CCOC(CCl)c1ccc(cc1)Cl 7a_200011996143_100000210202 [0,2,0,0,0,0|2,0,0]=4 1399 B13R1.1 CCOC(CN)c1ccc(cc1)Br 34a_100020626992_100000210202 [0,2,0,0,0,0|2,0,0]=4 1400 B13R1.1 CCOC(CN)c1ccc(cc1)Cl 34a_100000736658_100000210202 [0,2,0,0,0,0|2,0,0]=4 1401 B13R1.1 CCO[C@@H](C#N)c1ccc(cc1)C 34a_200009814964_100000210202 [0,2,0,0,0,0|2,0,0]=4 1402 B13R1.1 CCO[C@@H](C#N)c1ccc(cc1)C 7a_200009814964_100000210202 [0,2,0,0,0,0|2,0,0]=4 1403 B13R1.1 CCO[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_100000210202 [0,2,0,0,0,0|2,0,0]=4 1404 B13R1.1 CCO[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_100000210202 [0,2,0,0,0,0|2,0,0]=4 1405 B13R1.1 CC[C@H](NCF)c1ccc(cc1)Br 34a_100025736560_100015361967 [0,2,0,0,0,0|2,0,0]=4 1406 B13R1.1 CC[C@H](NCF)c1ccc(cc1)Cl 34a_100015186824_100015361967 [0,2,0,0,0,0|2,0,0]=4 1407 B13R1.1 CNC(CCO)c1ccc(cc1)C 2230a_100011661551_200000210301 [0,2,0,0,0,0|2,0,0]=4 1408 B13R1.1 CNC(CCO)c1ccc(cc1)C 34a_100011661551_200000210301 [0,2,0,0,0,0|2,0,0]=4 1409 B13R1.1 CNC(CCO)c1ccc(cc1)Cl 2230a_100000730317_200000210301 [0,2,0,0,0,0|2,0,0]=4 1410 B13R1.1 CNC(CCO)c1ccc(cc1)Cl 34a_100000730317_200000210301 [0,2,0,0,0,0|2,0,0]=4 1411 B13R1.1 CNC(CCO)c1ccc(cc1)F 2230a_100000752280_200000210301 [0,2,0,0,0,0|2,0,0]=4 1412 B13R1.1 CNC(CCO)c1ccc(cc1)F 34a_100000752280_200000210301 [0,2,0,0,0,0|2,0,0]=4 1413 B13R1.1 CNC(COC)c1ccc(cc1)Br 269862a_106832991636_200011343064 [0,2,0,0,0,0|1,0,0]=3 1414 B13R1.1 CN[C@@H](CCO)c1ccc(cc1)Br 2230a_102125605589_200000210301 [0,2,0,0,0,0|2,0,0]=4 1415 B13R1.1 CN[C@@H](CCO)c1ccc(cc1)Br 34a_102125605589_200000210301 [0,2,0,0,0,0|2,0,0]=4 1416 B13R1.1 Cc1ccc(cc1)C(CCO)N[13CH3] 2230a_100011661551_200025704644 [0,2,0,0,0,0|2,0,0]=4 1417 B13R1.1 Cc1ccc(cc1)C(CCO)N[13CH3] 34a_100011661551_200025704644 [0,2,0,0,0,0|2,0,0]=4 1418 B13R1.1 Cc1ccc(cc1)[C@H](C#N)OCF 34a_200009814964_100015361967 [0,2,0,0,0,0|2,0,0]=4 1419 B13R1.1 Cc1ccc(cc1)[C@H](C#N)OCF 7a_200009814964_100015361967 [0,2,0,0,0,0|2,0,0]=4 1420 B13R1.1 FCOC(CCl)c1ccc(cc1)Cl 34a_200011996143_100015361967 [0,2,0,0,0,0|2,0,0]=4 1421 B13R1.1 FCOC(CCl)c1ccc(cc1)Cl 7a_200011996143_100015361967 [0,2,0,0,0,0|2,0,0]=4 1422 B13R1.1 FCO[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_100015361967 [0,2,0,0,0,0|2,0,0]=4 1423 B13R1.1 FCO[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_100015361967 [0,2,0,0,0,0|2,0,0]=4 1424 B13R1.1 NCC(OCF)c1ccc(cc1)Br 34a_100020626992_100015361967 [0,2,0,0,0,0|2,0,0]=4 1425 B13R1.1 NCC(OCF)c1ccc(cc1)Cl 34a_100000736658_100015361967 [0,2,0,0,0,0|2,0,0]=4 1426 B13R1.1 [13CH3]NC(CCO)c1ccc(cc1)Cl 2230a_100000730317_200025704644 [0,2,0,0,0,0|2,0,0]=4 1427 B13R1.1 [13CH3]NC(CCO)c1ccc(cc1)Cl 34a_100000730317_200025704644 [0,2,0,0,0,0|2,0,0]=4 1428 B13R1.1 [13CH3]NC(CCO)c1ccc(cc1)F 2230a_100000752280_200025704644 [0,2,0,0,0,0|2,0,0]=4 1429 B13R1.1 [13CH3]NC(CCO)c1ccc(cc1)F 34a_100000752280_200025704644 [0,2,0,0,0,0|2,0,0]=4 1430 B13R1.1 [13CH3]N[C@@H](CCO)c1ccc(cc1)Br 2230a_102125605589_200025704644 [0,2,0,0,0,0|2,0,0]=4 1431 B13R1.1 [13CH3]N[C@@H](CCO)c1ccc(cc1)Br 34a_102125605589_200025704644 [0,2,0,0,0,0|2,0,0]=4 1432 B13R1.2 CCC(NCF)c1cccc(c1)Cl 34a_100000737531_100015361967 [0,2,0,0,0,0|2,0,0]=4 1433 B13R1.2 CCC(NCF)c1cccc(c1)F 34a_100159265421_100015361967 [0,2,0,0,0,0|2,0,0]=4 1434 B13R1.2 CCC(NCF)c1cccc(c1)O 34a_100159312145_100015361967 [0,2,0,0,0,0|2,0,0]=4 1435 B13R1.2 CCC(OCF)c1cccc(c1)Cl 34a_100000766619_100015361967 [0,2,0,0,0,0|1,0,0]=3 1436 B13R1.2 CCC(OCF)c1cccc(c1)Cl 7a_100000766619_100015361967 [0,2,0,0,0,0|1,0,0]=3 1437 B13R1.2 CCC(OCF)c1cccc(c1)F 34a_100011350881_100015361967 [0,2,0,0,0,0|1,0,0]=3 1438 B13R1.2 CCC(OCF)c1cccc(c1)F 7a_100011350881_100015361967 [0,2,0,0,0,0|1,0,0]=3 1439 B13R1.2 CCC(OCF)c1cccc(c1)I 34a_200013212081_100015361967 [0,2,0,0,0,0|1,0,0]=3 1440 B13R1.2 CCC(OCF)c1cccc(c1)I 7a_200013212081_100015361967 [0,2,0,0,0,0|1,0,0]=3 1441 B13R1.2 CCN(COC)c1cccc(c1)Br 2230a_100000738899_100000766300 [0,2,0,0,0,0|2,0,0]=4 1442 B13R1.2 CCN(COC)c1cccc(c1)Br 269982a_100000738899_100000766300 [0,2,0,0,0,0|2,0,0]=4 1443 B13R1.2 CCN(COC)c1cccc(c1)C 2230a_100000182157_100000766300 [0,2,0,0,0,0|2,0,0]=4 1444 B13R1.2 CCN(COC)c1cccc(c1)C 269982a_100000182157_100000766300 [0,2,0,0,0,0|2,0,0]=4 1445 B13R1.2 CCN(COC)c1cccc(c1)O 2230a_100000717746_100000766300 [0,2,0,0,0,0|2,0,0]=4 1446 B13R1.2 CCN(COC)c1cccc(c1)O 269982a_100000717746_100000766300 [0,2,0,0,0,0|2,0,0]=4 1447 B13R1.2 CCNC(CC)c1cccc(c1)Br 269862a_100015525214_100000211677 [0,2,0,0,0,0|2,0,0]=4 1448 B13R1.2 CCNC(CC)c1cccc(c1)C 269862a_100015525214_100000730664 [0,2,0,0,0,0|2,0,0]=4 1449 B13R1.2 CCNC(CC)c1cccc(c1)Cl 2230a_100000737531_100000210202 [0,2,0,0,0,0|2,0,0]=4 1450 B13R1.2 CCNC(CC)c1cccc(c1)Cl 269862a_100015525214_100000211052 [0,2,0,0,0,0|2,0,0]=4 1451 B13R1.2 CCNC(CC)c1cccc(c1)Cl 34a_100000737531_100000210202 [0,2,0,0,0,0|2,0,0]=4 1452 B13R1.2 CCNC(CC)c1cccc(c1)F 2230a_100159265421_100000210202 [0,2,0,0,0,0|2,0,0]=4 1453 B13R1.2 CCNC(CC)c1cccc(c1)F 269862a_100015525214_100000687998 [0,2,0,0,0,0|2,0,0]=4 1454 B13R1.2 CCNC(CC)c1cccc(c1)F 34a_100159265421_100000210202 [0,2,0,0,0,0|2,0,0]=4 1455 B13R1.2 CCNC(CC)c1cccc(c1)O 2230a_100159312145_100000210202 [0,2,0,0,0,0|2,0,0]=4 1456 B13R1.2 CCNC(CC)c1cccc(c1)O 269862a_100015525214_100011996911 [0,2,0,0,0,0|2,0,0]=4 1457 B13R1.2 CCNC(CC)c1cccc(c1)O 34a_100159312145_100000210202 [0,2,0,0,0,0|2,0,0]=4 1458 B13R1.2 CCN[C@@H](CC)c1cccc(c1)Br 2230a_100102422761_100000210202 [0,2,0,0,0,0|2,0,0]=4 1459 B13R1.2 CCN[C@@H](CC)c1cccc(c1)Br 34a_100102422761_100000210202 [0,2,0,0,0,0|2,0,0]=4 1460 B13R1.2 CCN[C@H](CC)c1cccc(c1)C 2230a_200016991486_100000210202 [0,2,0,0,0,0|2,0,0]=4 1461 B13R1.2 CCN[C@H](CC)c1cccc(c1)C 34a_200016991486_100000210202 [0,2,0,0,0,0|2,0,0]=4 1462 B13R1.2 CCOC(CC)c1cccc(c1)Cl 34a_100000766619_100000210202 [0,2,0,0,0,0|1,0,0]=3 1463 B13R1.2 CCOC(CC)c1cccc(c1)Cl 7a_100000766619_100000210202 [0,2,0,0,0,0|1,0,0]=3 1464 B13R1.2 CCOC(CC)c1cccc(c1)F 34a_100011350881_100000210202 [0,2,0,0,0,0|1,0,0]=3 1465 B13R1.2 CCOC(CC)c1cccc(c1)F 7a_100011350881_100000210202 [0,2,0,0,0,0|1,0,0]=3 1466 B13R1.2 CCOC(CC)c1cccc(c1)I 34a_200013212081_100000210202 [0,2,0,0,0,0|1,0,0]=3 1467 B13R1.2 CCOC(CC)c1cccc(c1)I 7a_200013212081_100000210202 [0,2,0,0,0,0|1,0,0]=3 1468 B13R1.2 CC[C@@H](NCF)c1cccc(c1)C 34a_200016991486_100015361967 [0,2,0,0,0,0|2,0,0]=4 1469 B13R1.2 CC[C@H](NCF)c1cccc(c1)Br 34a_100102422761_100015361967 [0,2,0,0,0,0|2,0,0]=4 1470 B13R1.2 CNC(CCO)c1cccc(c1)Br 2230a_200011661555_200000210301 [0,2,0,0,0,0|2,0,0]=4 1471 B13R1.2 CNC(CCO)c1cccc(c1)Br 34a_200011661555_200000210301 [0,2,0,0,0,0|2,0,0]=4 1472 B13R1.2 CNC(CCO)c1cccc(c1)C 2230a_100011661531_200000210301 [0,2,0,0,0,0|2,0,0]=4 1473 B13R1.2 CNC(CCO)c1cccc(c1)C 34a_100011661531_200000210301 [0,2,0,0,0,0|2,0,0]=4 1474 B13R1.2 CNC(CCO)c1cccc(c1)Cl 2230a_200011661548_200000210301 [0,2,0,0,0,0|2,0,0]=4 1475 B13R1.2 CNC(CCO)c1cccc(c1)Cl 34a_200011661548_200000210301 [0,2,0,0,0,0|2,0,0]=4 1476 B13R1.2 CNC(CCO)c1cccc(c1)F 2230a_100011661530_200000210301 [0,2,0,0,0,0|2,0,0]=4 1477 B13R1.2 CNC(CCO)c1cccc(c1)F 34a_100011661530_200000210301 [0,2,0,0,0,0|2,0,0]=4 1478 B13R1.2 CNCC(OC)c1cccc(c1)Br 34a_200000733937_200000210301 [0,2,0,0,0,0|1,0,0]=3 1479 B13R1.2 CNCC(O[13CH3])c1cccc(c1)Br 34a_200000733937_200025704644 [0,2,0,0,0,0|1,0,0]=3 1480 B13R1.2 CN[C@@H](CCO)c1cccc(c1)O 2230a_100025705919_200000210301 [0,2,0,0,0,0|2,0,0]=4 1481 B13R1.2 CN[C@@H](CCO)c1cccc(c1)O 34a_100025705919_200000210301 [0,2,0,0,0,0|2,0,0]=4 1482 B13R1.2 Cc1cccc(c1)C(CCO)N[13CH3] 2230a_100011661531_200025704644 [0,2,0,0,0,0|2,0,0]=4 1483 B13R1.2 Cc1cccc(c1)C(CCO)N[13CH3] 34a_100011661531_200025704644 [0,2,0,0,0,0|2,0,0]=4 1484 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)Br 2230a_200011661555_200025704644 [0,2,0,0,0,0|2,0,0]=4 1485 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)Br 34a_200011661555_200025704644 [0,2,0,0,0,0|2,0,0]=4 1486 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)Cl 2230a_200011661548_200025704644 [0,2,0,0,0,0|2,0,0]=4 1487 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)Cl 34a_200011661548_200025704644 [0,2,0,0,0,0|2,0,0]=4 1488 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)F 2230a_100011661530_200025704644 [0,2,0,0,0,0|2,0,0]=4 1489 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)F 34a_100011661530_200025704644 [0,2,0,0,0,0|2,0,0]=4 1490 B13R1.2 [13CH3]N[C@@H](CCO)c1cccc(c1)O 2230a_100025705919_200025704644 [0,2,0,0,0,0|2,0,0]=4 1491 B13R1.2 [13CH3]N[C@@H](CCO)c1cccc(c1)O 34a_100025705919_200025704644 [0,2,0,0,0,0|2,0,0]=4 1492 B13R1.26 C#CC(OCC#N)c1ccccc1 7a_100011219616_100011215382 [0,2,0,0,0,0|1,0,1]=4 1493 B13R1.26 C#CC(OCC=C)c1ccccc1 34a_100011219616_100015514636 [0,2,0,0,0,0|1,0,1]=4 1494 B13R1.26 C#CC(OCC=C)c1ccccc1 7a_100011219616_100015514636 [0,2,0,0,0,0|1,0,1]=4 1495 B13R1.26 C#CC(OCC=O)c1ccccc1 34a_100011219616_200009817547 [0,2,0,0,0,0|1,0,1]=4 1496 B13R1.26 C#CC(OCC=O)c1ccccc1 7a_100011219616_200015260668 [0,2,0,0,0,0|1,0,1]=4 1497 B13R1.26 C#CC(OCCC)c1ccccc1 34a_100011219616_100000210303 [0,2,0,0,0,0|1,0,1]=4 1498 B13R1.26 C#CC(OCCC)c1ccccc1 7a_100011219616_100000210303 [0,2,0,0,0,0|1,0,1]=4 1499 B13R1.26 C#CC(OCCF)c1ccccc1 34a_100011219616_100011217306 [0,2,0,0,0,0|1,0,1]=4 1500 B13R1.26 C#CC(OCCF)c1ccccc1 7a_100011219616_100011217306 [0,2,0,0,0,0|1,0,1]=4 1501 B13R1.26 C#CC(OCCO)c1ccccc1 34a_100011219616_100000211926 [0,2,0,0,0,0|1,0,1]=4 1502 B13R1.26 C#CC(OCCO)c1ccccc1 7a_100011219616_100000211926 [0,2,0,0,0,0|1,0,1]=4 1503 B13R1.26 C#CC(OCSC)c1ccccc1 34a_100011219616_100011218213 [0,2,0,0,0,0|1,0,1]=4 1504 B13R1.26 C#CCNC(CC)c1ccccc1 2230a_100000737752_100000038162 [0,2,0,0,0,0|2,0,0]=4 1505 B13R1.26 C#CCOC(C#C)c1ccccc1 34a_100011219616_100000184674 [0,2,0,0,0,0|1,0,1]=4 1506 B13R1.26 C#CCOC(C#C)c1ccccc1 7a_100011219616_100000038162 [0,2,0,0,0,0|1,0,1]=4 1507 B13R1.26 C#CCOC(C#N)c1ccccc1 7a_100011217353_100000038162 [0,2,0,0,0,0|2,0,0]=4 1508 B13R1.26 C#CCOC(C=C)c1ccccc1 34a_100011215659_100000184674 [0,2,0,0,0,0|1,0,1]=4 1509 B13R1.26 C#CCOC(C=C)c1ccccc1 7a_100011215659_100000038162 [0,2,0,0,0,0|1,0,1]=4 1510 B13R1.26 C#CCOC(CBr)c1ccccc1 7a_100000185958_100000038162 [0,2,0,0,0,0|2,0,0]=4 1511 B13R1.26 C#CCOC(CC)c1ccccc1 34a_100000698172_100000184674 [0,2,0,0,0,0|1,0,0]=3 1512 B13R1.26 C#CCOC(CC)c1ccccc1 7a_100000698172_100000038162 [0,2,0,0,0,0|1,0,0]=3 1513 B13R1.26 C#CCOC(CN)c1ccccc1 34a_100000210709_100000184674 [0,2,0,0,0,0|2,0,0]=4 1514 B13R1.26 C#CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000184674 [0,2,0,0,0,0|2,0,0]=4 1515 B13R1.26 C#CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000038162 [0,2,0,0,0,0|2,0,0]=4 1516 B13R1.26 C=CC(OCC#N)c1ccccc1 7a_100011215659_100011215382 [0,2,0,0,0,0|1,0,1]=4 1517 B13R1.26 C=CC(OCC=O)c1ccccc1 34a_100011215659_200009817547 [0,2,0,0,0,0|1,0,1]=4 1518 B13R1.26 C=CC(OCC=O)c1ccccc1 7a_100011215659_200015260668 [0,2,0,0,0,0|1,0,1]=4 1519 B13R1.26 C=CC(OCCC)c1ccccc1 34a_100011215659_100000210303 [0,2,0,0,0,0|1,0,1]=4 1520 B13R1.26 C=CC(OCCC)c1ccccc1 7a_100011215659_100000210303 [0,2,0,0,0,0|1,0,1]=4 1521 B13R1.26 C=CC(OCCF)c1ccccc1 34a_100011215659_100011217306 [0,2,0,0,0,0|1,0,1]=4 1522 B13R1.26 C=CC(OCCF)c1ccccc1 7a_100011215659_100011217306 [0,2,0,0,0,0|1,0,1]=4 1523 B13R1.26 C=CC(OCCO)c1ccccc1 34a_100011215659_100000211926 [0,2,0,0,0,0|1,0,1]=4 1524 B13R1.26 C=CC(OCCO)c1ccccc1 7a_100011215659_100000211926 [0,2,0,0,0,0|1,0,1]=4 1525 B13R1.26 C=CC(OCSC)c1ccccc1 34a_100011215659_100011218213 [0,2,0,0,0,0|1,0,1]=4 1526 B13R1.26 C=CC(SCOC)c1ccccc1 62a_100000766300_200000085779 [0,2,0,0,0,0|1,0,1]=4 1527 B13R1.26 C=CC(SCOC)c1ccccc1 62a_200000085779_100000766300 [0,2,0,0,0,0|1,0,1]=4 1528 B13R1.26 C=CCNC(CC)c1ccccc1 2230a_100000737752_100000210623 [0,2,0,0,0,0|2,0,0]=4 1529 B13R1.26 C=CCOC(C#N)c1ccccc1 7a_100011217353_100015514636 [0,2,0,0,0,0|2,0,0]=4 1530 B13R1.26 C=CCOC(C=C)c1ccccc1 34a_100011215659_100015514636 [0,2,0,0,0,0|1,0,1]=4 1531 B13R1.26 C=CCOC(C=C)c1ccccc1 7a_100011215659_100015514636 [0,2,0,0,0,0|1,0,1]=4 1532 B13R1.26 C=CCOC(CBr)c1ccccc1 7a_100000185958_100015514636 [0,2,0,0,0,0|2,0,0]=4 1533 B13R1.26 C=CCOC(CC)c1ccccc1 34a_100000698172_100015514636 [0,2,0,0,0,0|1,0,0]=3 1534 B13R1.26 C=CCOC(CC)c1ccccc1 7a_100000698172_100015514636 [0,2,0,0,0,0|1,0,0]=3 1535 B13R1.26 C=CCOC(CN)c1ccccc1 34a_100000210709_100015514636 [0,2,0,0,0,0|2,0,0]=4 1536 B13R1.26 C=CCO[C@H](CCl)c1ccccc1 34a_100011933945_100015514636 [0,2,0,0,0,0|2,0,0]=4 1537 B13R1.26 C=CCO[C@H](CCl)c1ccccc1 7a_100011933945_100015514636 [0,2,0,0,0,0|2,0,0]=4 1538 B13R1.26 CCC(COCF)c1ccccc1 34a_100000752371_100015361967 [0,2,0,0,0,0|1,0,0]=3 1539 B13R1.26 CCC(COCF)c1ccccc1 7a_100000752371_100015361967 [0,2,0,0,0,0|1,0,0]=3 1540 B13R1.26 CCC(NCC#N)c1ccccc1 2230a_100000737752_100011215382 [0,2,0,0,0,0|2,0,0]=4 1541 B13R1.26 CCC(NCC=O)c1ccccc1 2230a_100000737752_200015260668 [0,2,0,0,0,0|2,0,0]=4 1542 B13R1.26 CCC(NCCF)c1ccccc1 2230a_100000737752_100011217306 [0,2,0,0,0,0|2,0,0]=4 1543 B13R1.26 CCC(NCCF)c1ccccc1 269862a_100000724931_100000210124 [0,2,0,0,0,0|2,0,0]=4 1544 B13R1.26 CCC(NCCO)c1ccccc1 2230a_100000737752_100000211926 [0,2,0,0,0,0|2,0,0]=4 1545 B13R1.26 CCC(NCCO)c1ccccc1 269862a_100000210304_100000210124 [0,2,0,0,0,0|2,0,0]=4 1546 B13R1.26 CCC(NCOC)c1ccccc1 2230a_100000737752_100000766300 [0,2,0,0,0,0|1,0,0]=3 1547 B13R1.26 CCC(NCOC)c1ccccn1 2230a_100015186561_100000766300 [0,2,0,0,0,0|2,0,0]=4 1548 B13R1.26 CCC(NCOC)c1cccnc1 2230a_100000246009_100000766300 [0,2,0,0,0,0|2,0,0]=4 1549 B13R1.26 CCC(NCSC)c1ccccc1 2230a_100000737752_100011218213 [0,2,0,0,0,0|1,1,0]=4 1550 B13R1.26 CCC(OCC#N)c1ccccc1 7a_100000698172_100011215382 [0,2,0,0,0,0|1,0,0]=3 1551 B13R1.26 CCC(OCC=O)c1ccccc1 34a_100000698172_200009817547 [0,2,0,0,0,0|1,0,0]=3 1552 B13R1.26 CCC(OCC=O)c1ccccc1 7a_100000698172_200015260668 [0,2,0,0,0,0|1,0,0]=3 1553 B13R1.26 CCC(OCCF)c1ccccc1 34a_100000698172_100011217306 [0,2,0,0,0,0|1,0,0]=3 1554 B13R1.26 CCC(OCCF)c1ccccc1 7a_100000698172_100011217306 [0,2,0,0,0,0|1,0,0]=3 1555 B13R1.26 CCC(OCCO)c1ccccc1 34a_100000698172_100000211926 [0,2,0,0,0,0|1,0,0]=3 1556 B13R1.26 CCC(OCCO)c1ccccc1 7a_100000698172_100000211926 [0,2,0,0,0,0|1,0,0]=3 1557 B13R1.26 CCC(OCSC)c1ccccc1 34a_100000698172_100011218213 [0,2,0,0,0,0|1,0,0]=3 1558 B13R1.26 CCCCC(NC)c1ccccc1 269862a_106832991636_100000211663 [0,2,0,0,0,0|2,0,0]=4 1559 B13R1.26 CCCCC(OC)c1ccccc1 34a_100000698411_200000210301 [0,2,0,0,0,0|1,0,0]=3 1560 B13R1.26 CCCCC(OC)c1ccccc1 7a_100000698411_200000210301 [0,2,0,0,0,0|1,0,0]=3 1561 B13R1.26 CCCCC(O[13CH3])c1ccccc1 34a_100000698411_200025704644 [0,2,0,0,0,0|1,0,0]=3 1562 B13R1.26 CCCCC(O[13CH3])c1ccccc1 7a_100000698411_200025704644 [0,2,0,0,0,0|1,0,0]=3 1563 B13R1.26 CCCNC(CC)c1ccccc1 2230a_100000737752_100000210303 [0,2,0,0,0,0|2,0,0]=4 1564 B13R1.26 CCCNC(CC)c1ccccc1 269862a_100020643023_100000210124 [0,2,0,0,0,0|2,0,0]=4 1565 B13R1.26 CCCOC(C#N)c1ccccc1 7a_100011217353_100000210303 [0,2,0,0,0,0|2,0,0]=4 1566 B13R1.26 CCCOC(CBr)c1ccccc1 7a_100000185958_100000210303 [0,2,0,0,0,0|2,0,0]=4 1567 B13R1.26 CCCOC(CC)c1ccccc1 34a_100000698172_100000210303 [0,2,0,0,0,0|1,0,0]=3 1568 B13R1.26 CCCOC(CC)c1ccccc1 7a_100000698172_100000210303 [0,2,0,0,0,0|1,0,0]=3 1569 B13R1.26 CCCOC(CN)c1ccccc1 34a_100000210709_100000210303 [0,2,0,0,0,0|2,0,0]=4 1570 B13R1.26 CCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210303 [0,2,0,0,0,0|2,0,0]=4 1571 B13R1.26 CCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210303 [0,2,0,0,0,0|2,0,0]=4 1572 B13R1.26 CCN(CCOC)c1ccccc1 2230a_100000210013_100011201679 [0,2,0,0,0,0|2,0,0]=4 1573 B13R1.26 CCN(CCOC)c1ccccc1 269982a_100000210013_100000233755 [0,2,0,0,0,0|2,0,0]=4 1574 B13R1.26 CCN(CCOC)c1ccccc1 34a_100000210013_100011201679 [0,2,0,0,0,0|2,0,0]=4 1575 B13R1.26 CCN(CCOC)c1ccccc1 7a_100000184040_200000210301 [0,2,0,0,0,0|2,0,0]=4 1576 B13R1.26 CCN(CCO[13CH3])c1ccccc1 7a_100000184040_200025704644 [0,2,0,0,0,0|2,0,0]=4 1577 B13R1.26 CCNCC(CC)c1ccccc1 270004a_100015525214_100000753018 [0,2,0,0,0,0|2,0,0]=4 1578 B13R1.26 CCOCC(CC)c1ccccc1 34a_100000752371_100000210202 [0,2,0,0,0,0|1,0,0]=3 1579 B13R1.26 CCOCC(CC)c1ccccc1 7a_100000752371_100000210202 [0,2,0,0,0,0|1,0,0]=3 1580 B13R1.26 CCOCC(OC)c1ccccc1 34a_100011215540_100000210202 [0,2,0,0,0,0|0,0,0]=2 1581 B13R1.26 CCOCC(OC)c1ccccc1 7a_100011215540_100000210202 [0,2,0,0,0,0|0,0,0]=2 1582 B13R1.26 CCOCN(CC)c1ccccc1 269982a_100000210013_100000739092 [0,2,0,0,0,0|2,0,0]=4 1583 B13R1.26 CNC(CCCO)c1ccccc1 2230a_100000759318_200000210301 [0,2,0,0,0,0|2,0,0]=4 1584 B13R1.26 CNC(CCCO)c1ccccc1 34a_100000759318_200000210301 [0,2,0,0,0,0|2,0,0]=4 1585 B13R1.26 CNCCC(NC)c1ccccc1 269862a_106832991636_100015249630 [0,2,0,0,0,0|2,0,0]=4 1586 B13R1.26 COC(COCF)c1ccccc1 34a_100011215540_100015361967 [0,2,0,0,0,0|0,0,0]=2 1587 B13R1.26 COC(COCF)c1ccccc1 7a_100011215540_100015361967 [0,2,0,0,0,0|0,0,0]=2 1588 B13R1.26 COCN[C@H](CO)c1ccccc1 2230a_100000751927_100000766300 [0,2,0,0,0,0|2,0,0]=4 1589 B13R1.26 CSCOC(CN)c1ccccc1 34a_100000210709_100011218213 [0,2,0,0,0,0|2,0,0]=4 1590 B13R1.26 CSCO[C@H](CCl)c1ccccc1 34a_100011933945_100011218213 [0,2,0,0,0,0|2,0,0]=4 1591 B13R1.26 FCCOC(CBr)c1ccccc1 7a_100000185958_100011217306 [0,2,0,0,0,0|2,0,0]=4 1592 B13R1.26 FCCO[C@H](CCl)c1ccccc1 34a_100011933945_100011217306 [0,2,0,0,0,0|2,0,0]=4 1593 B13R1.26 FCCO[C@H](CCl)c1ccccc1 7a_100011933945_100011217306 [0,2,0,0,0,0|2,0,0]=4 1594 B13R1.26 N#CC(OCC=O)c1ccccc1 7a_100011217353_200015260668 [0,2,0,0,0,0|2,0,0]=4 1595 B13R1.26 N#CC(OCCF)c1ccccc1 7a_100011217353_100011217306 [0,2,0,0,0,0|2,0,0]=4 1596 B13R1.26 N#CC(OCCO)c1ccccc1 7a_100011217353_100000211926 [0,2,0,0,0,0|2,0,0]=4 1597 B13R1.26 N#CCOC(C#N)c1ccccc1 7a_100011217353_100011215382 [0,2,0,0,0,0|2,0,0]=4 1598 B13R1.26 N#CCOC(CBr)c1ccccc1 7a_100000185958_100011215382 [0,2,0,0,0,0|2,0,0]=4 1599 B13R1.26 N#CCO[C@H](CCl)c1ccccc1 7a_100011933945_100011215382 [0,2,0,0,0,0|2,0,0]=4 1600 B13R1.26 NCC(OCC=O)c1ccccc1 34a_100000210709_200009817547 [0,2,0,0,0,0|2,0,0]=4 1601 B13R1.26 NCC(OCCF)c1ccccc1 34a_100000210709_100011217306 [0,2,0,0,0,0|2,0,0]=4 1602 B13R1.26 NCC(OCCO)c1ccccc1 34a_100000210709_100000211926 [0,2,0,0,0,0|2,0,0]=4 1603 B13R1.26 O=CCOC(CBr)c1ccccc1 7a_100000185958_200015260668 [0,2,0,0,0,0|2,0,0]=4 1604 B13R1.26 O=CCO[C@H](CCl)c1ccccc1 34a_100011933945_200009817547 [0,2,0,0,0,0|2,0,0]=4 1605 B13R1.26 O=CCO[C@H](CCl)c1ccccc1 7a_100011933945_200015260668 [0,2,0,0,0,0|2,0,0]=4 1606 B13R1.26 OCCOC(CBr)c1ccccc1 7a_100000185958_100000211926 [0,2,0,0,0,0|2,0,0]=4 1607 B13R1.26 OCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000211926 [0,2,0,0,0,0|2,0,0]=4 1608 B13R1.26 OCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000211926 [0,2,0,0,0,0|2,0,0]=4 1609 B13R1.26 [13CH3]NC(CCCO)c1ccccc1 2230a_100000759318_200025704644 [0,2,0,0,0,0|2,0,0]=4 1610 B13R1.26 [13CH3]NC(CCCO)c1ccccc1 34a_100000759318_200025704644 [0,2,0,0,0,0|2,0,0]=4 1611 B13R1.173 CCC(OCF)c1ccccc1F 34a_200011689290_100015361967 [0,2,0,0,0,0|1,0,0]=3 1612 B13R1.173 CCC(OCF)c1ccccc1F 7a_200011689290_100015361967 [0,2,0,0,0,0|1,0,0]=3 1613 B13R1.173 CCCC(NC)c1ccccc1Cl 269862a_106832991636_100011400565 [0,2,0,0,0,0|2,0,0]=4 1614 B13R1.173 CCN(COC)c1ccccc1Br 2230a_114873767003_100000766300 [0,2,0,0,0,0|2,0,0]=4 1615 B13R1.173 CCN(COC)c1ccccc1Br 269982a_114873767003_100000766300 [0,2,0,0,0,0|2,0,0]=4 1616 B13R1.173 CCN(COC)c1ccccc1C 2230a_100000211084_100000766300 [0,2,0,0,0,0|2,0,0]=4 1617 B13R1.173 CCN(COC)c1ccccc1C 269982a_100000211084_100000766300 [0,2,0,0,0,0|2,0,0]=4 1618 B13R1.173 CCN(COC)c1ccccc1F 2230a_100000220365_100000766300 [0,2,0,0,0,0|2,0,0]=4 1619 B13R1.173 CCN(COC)c1ccccc1F 269982a_100000220365_100000766300 [0,2,0,0,0,0|2,0,0]=4 1620 B13R1.173 CCN(COC)c1ccccc1O 269982a_103624766699_100000766300 [0,2,0,0,0,0|2,0,0]=4 1621 B13R1.173 CCNC(CC)c1ccccc1C 269862a_100015525214_100011350723 [0,2,0,0,0,0|2,0,0]=4 1622 B13R1.173 CCNC(CC)c1ccccc1Cl 269862a_100015525214_100011400563 [0,2,0,0,0,0|2,0,0]=4 1623 B13R1.173 CCNC(CC)c1ccccc1F 269862a_100015525214_100000686739 [0,2,0,0,0,0|2,0,0]=4 1624 B13R1.173 CCN[C@@H](CC)c1ccccc1Cl 2230a_200016987949_100000210202 [0,2,0,0,0,0|2,0,0]=4 1625 B13R1.173 CCN[C@@H](CC)c1ccccc1Cl 34a_200016987949_100000210202 [0,2,0,0,0,0|2,0,0]=4 1626 B13R1.173 CCN[C@@H](CC)c1ccccc1F 2230a_100015190424_100000210202 [0,2,0,0,0,0|2,0,0]=4 1627 B13R1.173 CCN[C@@H](CC)c1ccccc1F 34a_100015190424_100000210202 [0,2,0,0,0,0|2,0,0]=4 1628 B13R1.173 CCOC(C#N)c1ccccc1Cl 7a_200011294979_100000210202 [0,2,0,0,0,0|2,0,0]=4 1629 B13R1.173 CCOC(CC)c1ccccc1F 34a_200011689290_100000210202 [0,2,0,0,0,0|1,0,0]=3 1630 B13R1.173 CCOC(CC)c1ccccc1F 7a_200011689290_100000210202 [0,2,0,0,0,0|1,0,0]=3 1631 B13R1.173 CCOC(CN)c1ccccc1Br 34a_100011236429_100000210202 [0,2,0,0,0,0|2,0,0]=4 1632 B13R1.173 CCOC(CN)c1ccccc1Cl 34a_200000759403_100000210202 [0,2,0,0,0,0|2,0,0]=4 1633 B13R1.173 CC[C@H](NCF)c1ccccc1Cl 34a_200016987949_100015361967 [0,2,0,0,0,0|2,0,0]=4 1634 B13R1.173 CC[C@H](NCF)c1ccccc1F 34a_100015190424_100015361967 [0,2,0,0,0,0|2,0,0]=4 1635 B13R1.173 CNC(CCO)c1ccccc1Cl 2230a_100011661560_200000210301 [0,2,0,0,0,0|2,0,0]=4 1636 B13R1.173 CNC(CCO)c1ccccc1Cl 34a_100011661560_200000210301 [0,2,0,0,0,0|2,0,0]=4 1637 B13R1.173 CNC(CCO)c1ccccc1F 2230a_100011661569_200000210301 [0,2,0,0,0,0|2,0,0]=4 1638 B13R1.173 CNC(CCO)c1ccccc1F 34a_100011661569_200000210301 [0,2,0,0,0,0|2,0,0]=4 1639 B13R1.173 N#CC(OCF)c1ccccc1Cl 7a_200011294979_100015361967 [0,2,0,0,0,0|2,0,0]=4 1640 B13R1.173 NCC(OCF)c1ccccc1Br 34a_100011236429_100015361967 [0,2,0,0,0,0|2,0,0]=4 1641 B13R1.173 NCC(OCF)c1ccccc1Cl 34a_200000759403_100015361967 [0,2,0,0,0,0|2,0,0]=4 1642 B13R1.173 [13CH3]NC(CCO)c1ccccc1Cl 2230a_100011661560_200025704644 [0,2,0,0,0,0|2,0,0]=4 1643 B13R1.173 [13CH3]NC(CCO)c1ccccc1Cl 34a_100011661560_200025704644 [0,2,0,0,0,0|2,0,0]=4 1644 B13R1.173 [13CH3]NC(CCO)c1ccccc1F 2230a_100011661569_200025704644 [0,2,0,0,0,0|2,0,0]=4 1645 B13R1.173 [13CH3]NC(CCO)c1ccccc1F 34a_100011661569_200025704644 [0,2,0,0,0,0|2,0,0]=4 1646 B13R1.398 C=CCC(OCC)c1ccccc1 34a_100000687291_100000210202 [0,2,0,0,0,0|1,0,1]=4 1647 B13R1.398 C=CCC(OCC)c1ccccc1 7a_100000687291_100000210202 [0,2,0,0,0,0|1,0,1]=4 1648 B13R1.398 C=CCC(OCF)c1ccccc1 34a_100000687291_100015361967 [0,2,0,0,0,0|1,0,1]=4 1649 B13R1.398 C=CCC(OCF)c1ccccc1 7a_100000687291_100015361967 [0,2,0,0,0,0|1,0,1]=4 1650 B13R1.398 CCCC(NCC)c1ccccc1 2230a_100000189686_100000210202 [0,2,0,0,0,0|2,0,0]=4 1651 B13R1.398 CCCC(NCC)c1ccccc1 269862a_100015525214_100000211045 [0,2,0,0,0,0|2,0,0]=4 1652 B13R1.398 CCCC(NCC)c1ccccc1 34a_100000189686_100000210202 [0,2,0,0,0,0|2,0,0]=4 1653 B13R1.398 CCCC(NCF)c1ccccc1 34a_100000189686_100015361967 [0,2,0,0,0,0|2,0,0]=4 1654 B13R1.398 CCCC(OCC)c1ccccc1 34a_100000747916_100000210202 [0,2,0,0,0,0|1,0,0]=3 1655 B13R1.398 CCCC(OCC)c1ccccc1 7a_100000747916_100000210202 [0,2,0,0,0,0|1,0,0]=3 1656 B13R1.398 CCCC(OCF)c1ccccc1 34a_100000747916_100015361967 [0,2,0,0,0,0|1,0,0]=3 1657 B13R1.398 CCCC(OCF)c1ccccc1 7a_100000747916_100015361967 [0,2,0,0,0,0|1,0,0]=3 1658 B13R1.398 CCCN(COC)c1ccccc1 2230a_200011218496_100000766300 [0,2,0,0,0,0|2,0,0]=4 1659 B13R1.398 CCCN(COC)c1ccccc1 269982a_200011218496_100000766300 [0,2,0,0,0,0|2,0,0]=4 1660 B13R1.398 CCNC(CCCl)c1ccccc1 2230a_100015525214_200010132975 [0,2,0,0,0,0|2,0,0]=4 1661 B13R1.398 CCNC(COC)c1ccccc1 269862a_100015525214_100000765260 [0,2,0,0,0,0|1,0,0]=3 1662 B13R1.398 CCN[C@@H](CCO)c1ccccc1 2230a_100025705951_100000210202 [0,2,0,0,0,0|2,0,0]=4 1663 B13R1.398 CCN[C@H](COC)c1ccccc1 2230a_103619048568_100000210202 [0,2,0,0,0,0|1,0,0]=3 1664 B13R1.398 CCN[C@H](COC)c1ccccc1 34a_103619048568_100000210202 [0,2,0,0,0,0|1,0,0]=3 1665 B13R1.398 CCOC(CCN)c1ccccc1 34a_100000763605_100000210202 [0,2,0,0,0,0|1,0,0]=3 1666 B13R1.398 CCO[C@H](CC#N)c1ccccc1 7a_100009817555_100000210202 [0,2,0,0,0,0|1,0,1]=4 1667 B13R1.398 CCO[C@H](CCCl)c1ccccc1 34a_100000729684_100000210202 [0,2,0,0,0,0|1,0,0]=3 1668 B13R1.398 CCO[C@H](CCCl)c1ccccc1 7a_100000729684_100000210202 [0,2,0,0,0,0|1,0,0]=3 1669 B13R1.398 CCSC(CCCl)c1ccccc1 62a_100000210202_200010132975 [0,2,0,0,0,0|1,1,0]=4 1670 B13R1.398 CCSC(CCCl)c1ccccc1 62a_200010132975_100000210202 [0,2,0,0,0,0|1,1,0]=4 1671 B13R1.398 COCN(CCO)c1ccccc1 2230a_100000211345_100000766300 [0,2,0,0,0,0|2,0,0]=4 1672 B13R1.398 COCN(CCO)c1ccccc1 269982a_100000211345_100000766300 [0,2,0,0,0,0|2,0,0]=4 1673 B13R1.398 COC[C@@H](NCF)c1ccccc1 34a_103619048568_100015361967 [0,2,0,0,0,0|1,0,0]=3 1674 B13R1.398 FCO[C@H](CCCl)c1ccccc1 34a_100000729684_100015361967 [0,2,0,0,0,0|1,0,0]=3 1675 B13R1.398 FCO[C@H](CCCl)c1ccccc1 7a_100000729684_100015361967 [0,2,0,0,0,0|1,0,0]=3 1676 B13R1.398 FCSC(CCCl)c1ccccc1 62a_100015361967_200010132975 [0,2,0,0,0,0|1,1,0]=4 1677 B13R1.398 FCSC(CCCl)c1ccccc1 62a_200010132975_100015361967 [0,2,0,0,0,0|1,1,0]=4 1678 B13R1.398 N#CC[C@@H](OCF)c1ccccc1 7a_100009817555_100015361967 [0,2,0,0,0,0|1,0,1]=4 1679 B13R1.398 NCCC(OCF)c1ccccc1 34a_100000763605_100015361967 [0,2,0,0,0,0|1,0,0]=3 1680 B13R1.402 C#CC(C)(OCC)c1ccccc1 34a_100000198054_100000210202 [0,2,0,0,0,0|1,0,1]=4 1681 B13R1.402 C#CC(C)(OCC)c1ccccc1 7a_100000198054_100000210202 [0,2,0,0,0,0|1,0,1]=4 1682 B13R1.402 C#CC(C)(OCF)c1ccccc1 34a_100000198054_100015361967 [0,2,0,0,0,0|1,0,1]=4 1683 B13R1.402 C#CC(C)(OCF)c1ccccc1 7a_100000198054_100015361967 [0,2,0,0,0,0|1,0,1]=4 1684 B13R1.402 C=CCC(C)(OC)c1ccccc1 7a_200011216374_200000210301 [0,2,0,0,0,0|1,0,1]=4 1685 B13R1.402 C=CCC(C)(O[13CH3])c1ccccc1 7a_200011216374_200025704644 [0,2,0,0,0,0|1,0,1]=4 1686 B13R1.402 CCC(C)(OCF)c1ccccc1 7a_100000748282_100015361967 [0,2,0,0,0,0|1,0,0]=3 1687 B13R1.402 CCCC(C)(OC)c1ccccc1 7a_200011216028_200000210301 [0,2,0,0,0,0|1,0,0]=3 1688 B13R1.402 CCCC(C)(O[13CH3])c1ccccc1 7a_200011216028_200025704644 [0,2,0,0,0,0|1,0,0]=3 1689 B13R1.402 CCOC(C)(CC)c1ccccc1 7a_100000748282_100000210202 [0,2,0,0,0,0|1,0,0]=3 1690 B13R1.405 C=C(C)C(OCC)c1ccccc1 34a_200011216824_100000210202 [0,2,0,0,0,0|1,0,0]=3 1691 B13R1.405 C=C(C)C(OCC)c1ccccc1 7a_200011216824_100000210202 [0,2,0,0,0,0|1,0,0]=3 1692 B13R1.405 C=C(C)C(OCF)c1ccccc1 34a_200011216824_100015361967 [0,2,0,0,0,0|1,0,0]=3 1693 B13R1.405 C=C(C)C(OCF)c1ccccc1 7a_200011216824_100015361967 [0,2,0,0,0,0|1,0,0]=3 1694 B13R1.405 CC(=O)C(CCCl)c1ccccc1 1458a_100000070787_200010132975 [0,2,0,0,0,0|2,0,0]=4 1695 B13R1.405 CC(=O)C(SCF)c1ccccc1 62a_100009888967_100015361967 [0,2,0,0,0,0|1,1,0]=4 1696 B13R1.405 CC(=O)C(SCF)c1ccccc1 62a_100015361967_100009888967 [0,2,0,0,0,0|1,1,0]=4 1697 B13R1.405 CC(C)C(OCF)c1ccccc1 34a_200011217822_100015361967 [0,2,0,0,0,0|1,0,0]=3 1698 B13R1.405 CC(C)C(OCF)c1ccccc1 7a_200011217822_100015361967 [0,2,0,0,0,0|1,0,0]=3 1699 B13R1.405 CC(C)[C@H](CN[13CH3])c1ccccc1 2230a_200009885855_200025704644 [0,2,0,0,0,0|2,0,0]=4 1700 B13R1.405 CC(C)[C@H](CN[13CH3])c1ccccc1 34a_200009885855_200025704644 [0,2,0,0,0,0|2,0,0]=4 1701 B13R1.405 CC(C)[C@H](NCF)c1ccccc1 34a_100015186014_100015361967 [0,2,0,0,0,0|2,0,0]=4 1702 B13R1.405 CCNC(C(=O)C)c1ccccc1 2230a_100015525214_100009888967 [0,2,0,0,0,0|2,0,0]=4 1703 B13R1.405 CCN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_100000210202 [0,2,0,0,0,0|2,0,0]=4 1704 B13R1.405 CCN[C@H](c1ccccc1)C(C)C 2230a_100015186014_100000210202 [0,2,0,0,0,0|2,0,0]=4 1705 B13R1.405 CCN[C@H](c1ccccc1)C(C)C 34a_100015186014_100000210202 [0,2,0,0,0,0|2,0,0]=4 1706 B13R1.405 CCOC(C(=O)N)c1ccccc1 34a_100011200849_100000210202 [0,2,0,0,0,0|2,0,0]=4 1707 B13R1.405 CCOC(C(=O)N)c1ccccc1 7a_100011200849_100000210202 [0,2,0,0,0,0|2,0,0]=4 1708 B13R1.405 CCOC(c1ccccc1)C(C)C 34a_200011217822_100000210202 [0,2,0,0,0,0|1,0,0]=3 1709 B13R1.405 CCOC(c1ccccc1)C(C)C 7a_200011217822_100000210202 [0,2,0,0,0,0|1,0,0]=3 1710 B13R1.405 CCSC(C(=O)C)c1ccccc1 62a_100000210202_100009888967 [0,2,0,0,0,0|1,1,0]=4 1711 B13R1.405 CCSC(C(=O)C)c1ccccc1 62a_100009888967_100000210202 [0,2,0,0,0,0|1,1,0]=4 1712 B13R1.405 CN(C)C(CCCl)c1ccccc1 2230a_100102631434_200010132975 [0,2,0,0,0,0|2,0,0]=4 1713 B13R1.405 CN(C)C(CCCl)c1ccccc1 269982a_100102631434_200010132975 [0,2,0,0,0,0|2,0,0]=4 1714 B13R1.405 CNC[C@H](c1ccccc1)C(C)C 2230a_200009885855_200000210301 [0,2,0,0,0,0|2,0,0]=4 1715 B13R1.405 CNC[C@H](c1ccccc1)C(C)C 34a_200009885855_200000210301 [0,2,0,0,0,0|2,0,0]=4 1716 B13R1.405 COCC(c1ccccn1)N(C)C 2230a_200011935022_200000210301 [0,2,0,0,0,0|2,0,0]=4 1717 B13R1.405 COCC(c1ccccn1)N(C)C 269982a_200011935022_200000210301 [0,2,0,0,0,0|2,0,0]=4 1718 B13R1.405 COCC(c1ccccn1)N(C)[13CH3] 2230a_200011935022_200025704644 [0,2,0,0,0,0|2,0,0]=4 1719 B13R1.405 COCC(c1ccccn1)N(C)[13CH3] 269982a_200011935022_200025704644 [0,2,0,0,0,0|2,0,0]=4 1720 B13R1.405 COCN(c1ccccc1)C(C)C 2230a_100000210572_100000766300 [0,2,0,0,0,0|2,0,0]=4 1721 B13R1.405 COCN(c1ccccc1)C(C)C 269982a_100000210572_100000766300 [0,2,0,0,0,0|2,0,0]=4 1722 B13R1.405 NC(=O)C(OCF)c1ccccc1 34a_100011200849_100015361967 [0,2,0,0,0,0|2,0,0]=4 1723 B13R1.405 NC(=O)C(OCF)c1ccccc1 7a_100011200849_100015361967 [0,2,0,0,0,0|2,0,0]=4 1724 B13R1.532 CCC(=O)C(CC)c1ccccc1 1458a_100000211302_100000210202 [0,2,0,0,0,0|2,0,0]=4 1725 B13R1.532 CCC(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000210202 [0,2,0,0,0,0|1,0,0]=3 1726 B13R1.532 CCC(C(=O)CF)c1ccccc1 1458a_100000211302_100015361967 [0,2,0,0,0,0|2,0,0]=4 1727 B13R1.532 CCC(C(=O)NC)c1ccccc1 11a_106832991635_100000211302 [0,2,0,0,0,0|2,0,0]=4 1728 B13R1.532 CCC(C(=O)NC)c1ccccc1 1626a_100102657272_100000211302 [0,2,0,0,0,0|2,0,0]=4 1729 B13R1.532 CCC(C(=O)NC)c1ccccc1 240690a_100102657272_100000211302 [0,2,0,0,0,0|2,0,0]=4 1730 B13R1.532 CCC(C(=O)NC)c1ccccc1 527a_100102657272_100000211302 [0,2,0,0,0,0|2,0,0]=4 1731 B13R1.532 CCC(C)C(NC)c1ccccc1 2230a_100025702663_200000210301 [0,2,0,0,0,0|2,0,0]=4 1732 B13R1.532 CCC(C)C(N[13CH3])c1ccccc1 2230a_100025702663_200025704644 [0,2,0,0,0,0|2,0,0]=4 1733 B13R1.532 CCC(c1ccccc1)N(C)CC 2230a_100000737450_200000210301 [0,2,0,0,0,0|2,0,0]=4 1734 B13R1.532 CCC(c1ccccc1)N(C)CC 2230a_100000737544_100000210202 [0,2,0,0,0,0|2,0,0]=4 1735 B13R1.532 CCC(c1ccccc1)N(C)CC 269982a_100000737450_200000210301 [0,2,0,0,0,0|2,0,0]=4 1736 B13R1.532 CCC(c1ccccc1)N(C)CC 269982a_100000737544_100000204670 [0,2,0,0,0,0|2,0,0]=4 1737 B13R1.532 CCC(c1ccccc1)N(C)CF 269982a_100000737544_100015361967 [0,2,0,0,0,0|2,0,0]=4 1738 B13R1.532 CCC(c1ccccc1)N([13CH3])CC 2230a_100000737450_200025704644 [0,2,0,0,0,0|2,0,0]=4 1739 B13R1.532 CCC(c1ccccc1)N([13CH3])CC 269982a_100000737450_200025704644 [0,2,0,0,0,0|2,0,0]=4 1740 B13R1.532 CCN(c1ccccc1)C(C)OC 269982a_100000210013_100009879195 [0,2,0,0,0,0|2,0,0]=4 1741 B13R1.532 CNC(=O)C(NC)c1ccccc1 2230a_100000741928_200000210301 [0,2,0,0,0,0|2,0,0]=4 1742 B13R1.532 CNC(=O)C(NC)c1ccccc1 34a_100000741928_200000210301 [0,2,0,0,0,0|2,0,0]=4 1743 B13R1.532 CNC(=O)C(N[13CH3])c1ccccc1 2230a_100000741928_200025704644 [0,2,0,0,0,0|2,0,0]=4 1744 B13R1.532 CNC(=O)C(N[13CH3])c1ccccc1 34a_100000741928_200025704644 [0,2,0,0,0,0|2,0,0]=4 1745 B13R1.532 CNC(=O)C(OC)c1ccccc1 34a_100012026080_200000210301 [0,2,0,0,0,0|1,0,0]=3 1746 B13R1.532 CNC(=O)C(O[13CH3])c1ccccc1 34a_100012026080_200025704644 [0,2,0,0,0,0|1,0,0]=3 1747 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 11a_106832991635_100000698336 [0,2,0,0,0,0|1,0,0]=3 1748 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 1626a_100102657272_100000698336 [0,2,0,0,0,0|1,0,0]=3 1749 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 240690a_100102657272_100000698336 [0,2,0,0,0,0|1,0,0]=3 1750 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 527a_100102657272_100000698336 [0,2,0,0,0,0|1,0,0]=3 1751 B13R1.532 CNC(C(=O)OC)c1ccccc1 2230a_106832991635_100000754950 [0,2,0,0,0,0|1,0,0]=3 1752 B13R1.532 CNC(C(=O)OC)c1ccccc1 34a_100102657272_100000185205 [0,2,0,0,0,0|1,0,0]=3 1753 B13R1.532 CNC(C(=O)OC)c1ccccc1 7a_106832991635_100000754950 [0,2,0,0,0,0|1,0,0]=3 1754 B13R1.532 COC(=O)C(OC)c1ccccc1 34a_100138415774_100000185205 [0,2,0,0,0,0|0,0,0]=2 1755 B13R1.532 COC(=O)C(SC)c1ccccc1 62a_100000754950_200000210301 [0,2,0,0,0,0|0,1,0]=3 1756 B13R1.532 COC(=O)C(SC)c1ccccc1 62a_200000210301_100000754950 [0,2,0,0,0,0|0,1,0]=3 1757 B13R1.532 COC(=O)C(S[13CH3])c1ccccc1 62a_100000754950_200025704644 [0,2,0,0,0,0|0,1,0]=3 1758 B13R1.532 COC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100000754950 [0,2,0,0,0,0|0,1,0]=3 1759 B13R1.532 COC(=O)[C@H](OC)c1ccccc1 34a_100009815907_200000210301 [0,2,0,0,0,0|0,0,0]=2 1760 B13R1.532 COC(=O)[C@H](O[13CH3])c1ccccc1 34a_100009815907_200025704644 [0,2,0,0,0,0|0,0,0]=2 1761 B13R1.532 COC(C(=O)NN)c1ccccc1 34a_100011203043_200000210301 [0,2,0,0,0,0|2,0,0]=4 1762 B13R1.532 CO[C@@H](C(=O)CF)c1ccccc1 1458a_100000698336_100015361967 [0,2,0,0,0,0|1,0,0]=3 1763 B13R1.532 [13CH3]OC(C(=O)NN)c1ccccc1 34a_100011203043_200025704644 [0,2,0,0,0,0|2,0,0]=4 1764 B13R1.713 C#CC(OC(C)C)c1ccccc1 34a_100011219616_100000210206 [0,2,0,0,0,0|1,0,1]=4 1765 B13R1.713 C#CC(OC(C)C)c1ccccc1 7a_100011219616_100000210206 [0,2,0,0,0,0|1,0,1]=4 1766 B13R1.713 C=CC(OC(C)C)c1ccccc1 34a_100011215659_100000210206 [0,2,0,0,0,0|1,0,1]=4 1767 B13R1.713 C=CC(OC(C)C)c1ccccc1 7a_100011215659_100000210206 [0,2,0,0,0,0|1,0,1]=4 1768 B13R1.713 CC(C)C[C@H](N[13CH3])c1ccccc1 2230a_100016987908_200025704644 [0,2,0,0,0,0|2,0,0]=4 1769 B13R1.713 CC(C)OC(C#N)c1ccccc1 7a_100011217353_100000210206 [0,2,0,0,0,0|2,0,0]=4 1770 B13R1.713 CC(C)OC(CBr)c1ccccc1 7a_100000185958_100000210206 [0,2,0,0,0,0|2,0,0]=4 1771 B13R1.713 CC(C)OC(CN)c1ccccc1 34a_100000210709_100000210206 [0,2,0,0,0,0|2,0,0]=4 1772 B13R1.713 CC(C)O[C@H](CCl)c1ccccc1 34a_100011933945_100000210206 [0,2,0,0,0,0|2,0,0]=4 1773 B13R1.713 CC(C)O[C@H](CCl)c1ccccc1 7a_100011933945_100000210206 [0,2,0,0,0,0|2,0,0]=4 1774 B13R1.713 CCC(CN(C)C)c1ccccc1 270004a_100102631434_100000753018 [0,2,0,0,0,0|2,0,0]=4 1775 B13R1.713 CCC(NC(=O)C)c1ccccc1 11a_100000737752_100015343762 [0,2,0,0,0,0|2,0,0]=4 1776 B13R1.713 CCC(NC(=O)C)c1ccccc1 1626a_100000737752_100015343762 [0,2,0,0,0,0|2,0,0]=4 1777 B13R1.713 CCC(NC(=O)C)c1ccccc1 240690a_100000737752_100015343762 [0,2,0,0,0,0|2,0,0]=4 1778 B13R1.713 CCC(NC(=O)C)c1ccccc1 527a_100000737752_100103153847 [0,2,0,0,0,0|2,0,0]=4 1779 B13R1.713 CCC(NC(C)C)c1ccccc1 2230a_100000737752_100000210206 [0,2,0,0,0,0|2,0,0]=4 1780 B13R1.713 CCC(OC(C)C)c1ccccc1 34a_100000698172_100000210206 [0,2,0,0,0,0|1,0,0]=3 1781 B13R1.713 CCC(OC(C)C)c1ccccc1 7a_100000698172_100000210206 [0,2,0,0,0,0|1,0,0]=3 1782 B13R1.713 CNC(CC(C)C)c1ccccc1 269862a_106832991636_100000211545 [0,2,0,0,0,0|2,0,0]=4 1783 B13R1.713 CN[C@@H](CC(C)C)c1ccccc1 2230a_100016987908_200000210301 [0,2,0,0,0,0|2,0,0]=4 1784 B13R1.39 C=Cc1ccc(cc1)C(CC)NC 271570a_100011290941_100000231127 [0,2,0,0,0,0|2,0,0]=4 1785 B13R1.39 C=Cc1ccc(cc1)C(OC)OC 271570a_100011290941_100009813454 [0,2,0,0,0,0|0,0,0]=2 1786 B13R1.39 C=Cc1ccc(nc1)C(OC)OC 271570a_100011290941_100010270258 [0,2,0,0,0,0|1,0,0]=3 1787 B13R1.39 CCC(NC)c1ccc(cc1)OC 2230a_100000195527_200000210301 [0,2,0,0,0,0|2,0,0]=4 1788 B13R1.39 CCC(NC)c1ccc(cc1)OC 269862a_106832991636_100000170455 [0,2,0,0,0,0|2,0,0]=4 1789 B13R1.39 CCC(NC)c1ccc(cc1)OC 34a_100000195527_200000210301 [0,2,0,0,0,0|2,0,0]=4 1790 B13R1.39 CCC(NC)c1ccc(cc1)SC 62a_100000231127_200000210301 [0,2,0,0,0,0|2,0,0]=4 1791 B13R1.39 CCC(NC)c1ccc(cc1)SC 62a_200000210301_100000231127 [0,2,0,0,0,0|2,0,0]=4 1792 B13R1.39 CCC(NC)c1ccc(cc1)S[13CH3] 62a_100000231127_200025704644 [0,2,0,0,0,0|2,0,0]=4 1793 B13R1.39 CCC(NC)c1ccc(cc1)S[13CH3] 62a_200025704644_100000231127 [0,2,0,0,0,0|2,0,0]=4 1794 B13R1.39 CCC(N[13CH3])c1ccc(cc1)OC 2230a_100000195527_200025704644 [0,2,0,0,0,0|2,0,0]=4 1795 B13R1.39 CCC(N[13CH3])c1ccc(cc1)OC 34a_100000195527_200025704644 [0,2,0,0,0,0|2,0,0]=4 1796 B13R1.39 CCC(OC)c1ccc(cc1)OC 34a_100000246523_200000210301 [0,2,0,0,0,0|1,0,0]=3 1797 B13R1.39 CCC(OC)c1ccc(cc1)OC 7a_100000246523_200000210301 [0,2,0,0,0,0|1,0,0]=3 1798 B13R1.39 CCC(O[13CH3])c1ccc(cc1)OC 34a_100000246523_200025704644 [0,2,0,0,0,0|1,0,0]=3 1799 B13R1.39 CCC(O[13CH3])c1ccc(cc1)OC 7a_100000246523_200025704644 [0,2,0,0,0,0|1,0,0]=3 1800 B13R1.39 CCc1ccc(cc1)C(CC)NC 269862a_106832991636_100000739966 [0,2,0,0,0,0|2,0,0]=4 1801 B13R1.39 CCc1ccc(cc1)[C@H](CC)NC 2230a_100020633697_200000210301 [0,2,0,0,0,0|2,0,0]=4 1802 B13R1.39 CCc1ccc(cc1)[C@H](CC)NC 34a_100020633697_200000210301 [0,2,0,0,0,0|2,0,0]=4 1803 B13R1.39 CCc1ccc(cc1)[C@H](CC)N[13CH3] 2230a_100020633697_200025704644 [0,2,0,0,0,0|2,0,0]=4 1804 B13R1.39 CCc1ccc(cc1)[C@H](CC)N[13CH3] 34a_100020633697_200025704644 [0,2,0,0,0,0|2,0,0]=4 1805 B13R1.39 COC(OC)c1ccc(cc1)SC 62a_100009813454_200000210301 [0,2,0,0,0,0|0,0,0]=2 1806 B13R1.39 COC(OC)c1ccc(cc1)SC 62a_200000210301_100009813454 [0,2,0,0,0,0|0,0,0]=2 1807 B13R1.39 COC(OC)c1ccc(cc1)S[13CH3] 62a_100009813454_200025704644 [0,2,0,0,0,0|0,0,0]=2 1808 B13R1.39 COC(OC)c1ccc(cc1)S[13CH3] 62a_200025704644_100009813454 [0,2,0,0,0,0|0,0,0]=2 1809 B13R1.39 COC(OC)c1ccc(cn1)SC 62a_100010270258_200000210301 [0,2,0,0,0,0|1,0,0]=3 1810 B13R1.39 COC(OC)c1ccc(cn1)SC 62a_200000210301_100010270258 [0,2,0,0,0,0|1,0,0]=3 1811 B13R1.39 COC(OC)c1ccc(cn1)S[13CH3] 62a_100010270258_200025704644 [0,2,0,0,0,0|1,0,0]=3 1812 B13R1.39 COC(OC)c1ccc(cn1)S[13CH3] 62a_200025704644_100010270258 [0,2,0,0,0,0|1,0,0]=3 1813 B13R1.39 COc1ccc(cc1)C(C#N)OC 34a_100011218237_200000210301 [0,2,0,0,0,0|2,0,0]=4 1814 B13R1.39 COc1ccc(cc1)C(C#N)OC 7a_100011218237_200000210301 [0,2,0,0,0,0|2,0,0]=4 1815 B13R1.39 COc1ccc(cc1)C(C#N)O[13CH3] 34a_100011218237_200025704644 [0,2,0,0,0,0|2,0,0]=4 1816 B13R1.39 COc1ccc(cc1)C(C#N)O[13CH3] 7a_100011218237_200025704644 [0,2,0,0,0,0|2,0,0]=4 1817 B13R1.39 COc1ccc(cc1)C(CN)OC 34a_100000738651_200000210301 [0,2,0,0,0,0|2,0,0]=4 1818 B13R1.39 COc1ccc(cc1)C(CN)O[13CH3] 34a_100000738651_200025704644 [0,2,0,0,0,0|2,0,0]=4 1819 B13R1.331 CCC(NC)c1ccc(c(c1)Br)F 269862a_106832991636_100011216493 [0,2,0,0,0,0|2,0,0]=4 1820 B13R1.331 CCC(NC)c1ccc(c(c1)C)Br 269862a_106832991636_200012349626 [0,2,0,0,0,0|2,0,0]=4 1821 B13R1.331 CCC(NC)c1ccc(c(c1)C)C 2230a_200011220179_200000210301 [0,2,0,0,0,0|2,0,0]=4 1822 B13R1.331 CCC(NC)c1ccc(c(c1)C)C 269862a_106832991636_100011220458 [0,2,0,0,0,0|2,0,0]=4 1823 B13R1.331 CCC(NC)c1ccc(c(c1)C)C 34a_200011220179_200000210301 [0,2,0,0,0,0|2,0,0]=4 1824 B13R1.331 CCC(NC)c1ccc(c(c1)Cl)Cl 269862a_106832991636_100000182811 [0,2,0,0,0,0|2,0,0]=4 1825 B13R1.331 CCC(NC)c1ccc(c(c1)Cl)F 269862a_106832991636_100011218434 [0,2,0,0,0,0|2,0,0]=4 1826 B13R1.331 CCC(NC)c1ccc(c(c1)Cl)O 269862a_106832991636_100011218862 [0,2,0,0,0,0|2,0,0]=4 1827 B13R1.331 CCC(NC)c1ccc(c(c1)F)Cl 269862a_106832991636_100012000384 [0,2,0,0,0,0|2,0,0]=4 1828 B13R1.331 CCC(NC)c1ccc(c(c1)F)F 269862a_106832991636_100011206965 [0,2,0,0,0,0|2,0,0]=4 1829 B13R1.331 CCC(N[13CH3])c1ccc(c(c1)C)C 2230a_200011220179_200025704644 [0,2,0,0,0,0|2,0,0]=4 1830 B13R1.331 CCC(N[13CH3])c1ccc(c(c1)C)C 34a_200011220179_200025704644 [0,2,0,0,0,0|2,0,0]=4 1831 B13R1.331 CO[C@H](CCl)c1ccc(c(c1)F)F 34a_100000761251_200000210301 [0,2,0,0,0,0|2,0,0]=4 1832 B13R1.331 CO[C@H](CCl)c1ccc(c(c1)F)F 7a_100000761251_200000210301 [0,2,0,0,0,0|2,0,0]=4 1833 B13R1.331 [13CH3]O[C@H](CCl)c1ccc(c(c1)F)F 34a_100000761251_200025704644 [0,2,0,0,0,0|2,0,0]=4 1834 B13R1.331 [13CH3]O[C@H](CCl)c1ccc(c(c1)F)F 7a_100000761251_200025704644 [0,2,0,0,0,0|2,0,0]=4 1835 B13R1.706 CC(C)C(N[13CH3])c1ccc(cc1)Cl 2230a_100015204473_200025704644 [0,2,0,0,0,0|2,0,0]=4 1836 B13R1.706 CC(C)C(N[13CH3])c1ccc(cc1)Cl 34a_100015204473_200025704644 [0,2,0,0,0,0|2,0,0]=4 1837 B13R1.706 CC(C)[C@H](N[13CH3])c1ccc(cc1)Br 2230a_100102422763_200025704644 [0,2,0,0,0,0|2,0,0]=4 1838 B13R1.706 CC(C)[C@H](N[13CH3])c1ccc(cc1)Br 34a_100102422763_200025704644 [0,2,0,0,0,0|2,0,0]=4 1839 B13R1.706 CCC(C(=O)C)c1ccc(cc1)Br 1458a_100011934198_200000210301 [0,2,0,0,0,0|2,0,0]=4 1840 B13R1.706 CCC(C(=O)[13CH3])c1ccc(cc1)Br 1458a_100011934198_200025704644 [0,2,0,0,0,0|2,0,0]=4 1841 B13R1.706 CCC(c1ccc(cc1)Br)N(C)C 2230a_100000231127_200000210301 [0,2,0,0,0,0|2,0,0]=4 1842 B13R1.706 CCC(c1ccc(cc1)Br)N(C)C 269982a_100000231127_200000210301 [0,2,0,0,0,0|2,0,0]=4 1843 B13R1.706 CCC(c1ccc(cc1)Br)N(C)[13CH3] 2230a_100000231127_200025704644 [0,2,0,0,0,0|2,0,0]=4 1844 B13R1.706 CCC(c1ccc(cc1)Br)N(C)[13CH3] 269982a_100000231127_200025704644 [0,2,0,0,0,0|2,0,0]=4 1845 B13R1.706 CNC(c1ccc(cc1)Br)C(C)C 269862a_106832991636_100011220430 [0,2,0,0,0,0|2,0,0]=4 1846 B13R1.706 CNC(c1ccc(cc1)Cl)C(C)C 2230a_100015204473_200000210301 [0,2,0,0,0,0|2,0,0]=4 1847 B13R1.706 CNC(c1ccc(cc1)Cl)C(C)C 269862a_106832991636_100000742363 [0,2,0,0,0,0|2,0,0]=4 1848 B13R1.706 CNC(c1ccc(cc1)Cl)C(C)C 34a_100015204473_200000210301 [0,2,0,0,0,0|2,0,0]=4 1849 B13R1.706 CNC(c1ccc(cc1)F)C(C)C 269862a_106832991636_100011218555 [0,2,0,0,0,0|2,0,0]=4 1850 B13R1.706 CN[C@H](c1ccc(cc1)Br)C(C)C 2230a_100102422763_200000210301 [0,2,0,0,0,0|2,0,0]=4 1851 B13R1.706 CN[C@H](c1ccc(cc1)Br)C(C)C 34a_100102422763_200000210301 [0,2,0,0,0,0|2,0,0]=4 1852 B13R1.706 CN[C@H](c1ccc(cc1)C)C(C)C 2230a_100020633675_200000210301 [0,2,0,0,0,0|2,0,0]=4 1853 B13R1.706 CN[C@H](c1ccc(cc1)C)C(C)C 34a_100020633675_200000210301 [0,2,0,0,0,0|2,0,0]=4 1854 B13R1.706 COC(C(=O)C)c1ccc(cc1)Cl 1458a_100012350483_200000210301 [0,2,0,0,0,0|1,0,0]=3 1855 B13R1.706 COC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100012350483_200025704644 [0,2,0,0,0,0|1,0,0]=3 1856 B13R1.706 CO[C@@H](c1ccc(cc1)Cl)[C@@H](C)N 34a_200009830414_200000210301 [0,2,0,0,0,0|1,0,0]=3 1857 B13R1.706 C[C@@H](N)[C@@H](O[13CH3])c1ccc(cc1)Cl 34a_200009830414_200025704644 [0,2,0,0,0,0|1,0,0]=3 1858 B13R1.706 Cc1ccc(cc1)[C@@H](N[13CH3])C(C)C 2230a_100020633675_200025704644 [0,2,0,0,0,0|2,0,0]=4 1859 B13R1.706 Cc1ccc(cc1)[C@@H](N[13CH3])C(C)C 34a_100020633675_200025704644 [0,2,0,0,0,0|2,0,0]=4 1860 B13R1.961 CCC(NC)c1ccc(cc1Br)C 269862a_106832991636_200012349623 [0,2,0,0,0,0|2,0,0]=4 1861 B13R1.961 CCC(NC)c1ccc(cc1C)Br 269862a_106832991636_200012361375 [0,2,0,0,0,0|2,0,0]=4 1862 B13R1.961 CCC(NC)c1ccc(cc1C)C 2230a_100015185828_200000210301 [0,2,0,0,0,0|2,0,0]=4 1863 B13R1.961 CCC(NC)c1ccc(cc1C)C 269862a_106832991636_200011206958 [0,2,0,0,0,0|2,0,0]=4 1864 B13R1.961 CCC(NC)c1ccc(cc1C)C 34a_100015185828_200000210301 [0,2,0,0,0,0|2,0,0]=4 1865 B13R1.961 CCC(NC)c1ccc(cc1Cl)Cl 269862a_106832991636_100000211697 [0,2,0,0,0,0|2,0,0]=4 1866 B13R1.961 CCC(NC)c1ccc(cc1F)Br 269862a_106832991636_100012360378 [0,2,0,0,0,0|2,0,0]=4 1867 B13R1.961 CCC(NC)c1ccc(cc1F)Cl 269862a_106832991636_200011805165 [0,2,0,0,0,0|2,0,0]=4 1868 B13R1.961 CCC(NC)c1ccc(cc1F)F 269862a_106832991636_100000742292 [0,2,0,0,0,0|2,0,0]=4 1869 B13R1.961 CCC(N[13CH3])c1ccc(cc1C)C 2230a_100015185828_200025704644 [0,2,0,0,0,0|2,0,0]=4 1870 B13R1.961 CCC(N[13CH3])c1ccc(cc1C)C 34a_100015185828_200025704644 [0,2,0,0,0,0|2,0,0]=4 1871 B13R1.961 COC(OC)c1ccc(cc1F)O 271570a_203496583355_100010185892 [0,2,0,0,0,0|0,0,0]=2 1872 B13R1.961 CO[C@@H](CCl)c1ccc(cc1Cl)Cl 34a_100000761231_200000210301 [0,2,0,0,0,0|2,0,0]=4 1873 B13R1.961 CO[C@@H](CCl)c1ccc(cc1Cl)Cl 7a_100000761231_200000210301 [0,2,0,0,0,0|2,0,0]=4 1874 B13R1.961 CO[C@H](CCl)c1ccc(cc1F)F 34a_100000761269_200000210301 [0,2,0,0,0,0|2,0,0]=4 1875 B13R1.961 CO[C@H](CCl)c1ccc(cc1F)F 7a_100000761269_200000210301 [0,2,0,0,0,0|2,0,0]=4 1876 B13R1.961 [13CH3]O[C@@H](CCl)c1ccc(cc1Cl)Cl 34a_100000761231_200025704644 [0,2,0,0,0,0|2,0,0]=4 1877 B13R1.961 [13CH3]O[C@@H](CCl)c1ccc(cc1Cl)Cl 7a_100000761231_200025704644 [0,2,0,0,0,0|2,0,0]=4 1878 B13R1.961 [13CH3]O[C@H](CCl)c1ccc(cc1F)F 34a_100000761269_200025704644 [0,2,0,0,0,0|2,0,0]=4 1879 B13R1.961 [13CH3]O[C@H](CCl)c1ccc(cc1F)F 7a_100000761269_200025704644 [0,2,0,0,0,0|2,0,0]=4 1880 B13R1.8 CCC(NC)c1cccc(c1F)F 269862a_106832991636_100011218760 [0,2,0,0,0,0|2,0,0]=4 1881 B13R1.317 CCC(NC)c1cc(ccc1C)C 269862a_106832991636_100011206945 [0,2,0,0,0,0|2,0,0]=4 1882 B13R1.317 CCC(NC)c1cc(ccc1F)F 269862a_106832991636_100000750970 [0,2,0,0,0,0|2,0,0]=4 1883 B13R1.317 CCC(NC)c1cc(ccc1O)Br 269862a_106832991636_100000183607 [0,2,0,0,0,0|2,0,0]=4 1884 B13R1.317 CCC(NC)c1cc(ccc1O)Cl 269862a_106832991636_100000181482 [0,2,0,0,0,0|2,0,0]=4 1885 B13R1.317 CCC(NC)c1cc(ccc1O)F 269862a_106832991636_100000183209 [0,2,0,0,0,0|2,0,0]=4 1886 B13R1.317 CCC(OC)c1cc(ccc1C)Cl 34a_200012002771_200000210301 [0,2,0,0,0,0|1,0,0]=3 1887 B13R1.317 CCC(OC)c1cc(ccc1C)Cl 7a_200012002771_200000210301 [0,2,0,0,0,0|1,0,0]=3 1888 B13R1.317 CCC(O[13CH3])c1cc(ccc1C)Cl 34a_200012002771_200025704644 [0,2,0,0,0,0|1,0,0]=3 1889 B13R1.317 CCC(O[13CH3])c1cc(ccc1C)Cl 7a_200012002771_200025704644 [0,2,0,0,0,0|1,0,0]=3 1890 B13R1.317 CC[C@H](NC)c1cc(ccc1Br)Cl 2230a_200015425730_200000210301 [0,2,0,0,0,0|2,0,0]=4 1891 B13R1.317 CC[C@H](NC)c1cc(ccc1Br)Cl 34a_200015425730_200000210301 [0,2,0,0,0,0|2,0,0]=4 1892 B13R1.317 CC[C@H](NC)c1cc(ccc1F)F 2230a_100015190423_200000210301 [0,2,0,0,0,0|2,0,0]=4 1893 B13R1.317 CC[C@H](NC)c1cc(ccc1F)F 34a_100015190423_200000210301 [0,2,0,0,0,0|2,0,0]=4 1894 B13R1.317 CC[C@H](N[13CH3])c1cc(ccc1Br)Cl 2230a_200015425730_200025704644 [0,2,0,0,0,0|2,0,0]=4 1895 B13R1.317 CC[C@H](N[13CH3])c1cc(ccc1Br)Cl 34a_200015425730_200025704644 [0,2,0,0,0,0|2,0,0]=4 1896 B13R1.317 CC[C@H](N[13CH3])c1cc(ccc1F)F 2230a_100015190423_200025704644 [0,2,0,0,0,0|2,0,0]=4 1897 B13R1.317 CC[C@H](N[13CH3])c1cc(ccc1F)F 34a_100015190423_200025704644 [0,2,0,0,0,0|2,0,0]=4 1898 B13R1.317 COC(OC)c1nc(ncc1O)N 271570a_203496583355_100010196073 [0,2,0,0,0,0|2,0,0]=4 1899 B13R1.321 CCC(NC)c1cc(cc(c1)Cl)Cl 269862a_106832991636_100012361192 [0,2,0,0,0,0|2,0,0]=4 1900 B13R1.321 CCC(NC)c1cc(cc(c1)Cl)F 269862a_106832991636_100000081347 [0,2,0,0,0,0|2,0,0]=4 1901 B13R1.321 CCC(NC)c1cc(cc(c1)F)F 269862a_106832991636_100011217201 [0,2,0,0,0,0|2,0,0]=4 1902 B13R1.321 CCC(OC)c1cc(cc(c1)F)F 34a_200011518859_200000210301 [0,2,0,0,0,0|1,0,0]=3 1903 B13R1.321 CCC(OC)c1cc(cc(c1)F)F 7a_200011518859_200000210301 [0,2,0,0,0,0|1,0,0]=3 1904 B13R1.321 CCC(O[13CH3])c1cc(cc(c1)F)F 34a_200011518859_200025704644 [0,2,0,0,0,0|1,0,0]=3 1905 B13R1.321 CCC(O[13CH3])c1cc(cc(c1)F)F 7a_200011518859_200025704644 [0,2,0,0,0,0|1,0,0]=3 1906 B13R1.646 C=Cc1cccc(c1)C(OC)OC 271570a_100011290941_100009816312 [0,2,0,0,0,0|0,0,0]=2 1907 B13R1.646 C=Cc1cncc(c1)C(OC)OC 271570a_100011290941_100010232022 [0,2,0,0,0,0|1,0,0]=3 1908 B13R1.646 CCC(NC)c1cccc(c1)OC 269862a_106832991636_100000759430 [0,2,0,0,0,0|2,0,0]=4 1909 B13R1.646 CC[C@@H](NC)c1cccc(c1)OC 2230a_100015193793_200000210301 [0,2,0,0,0,0|2,0,0]=4 1910 B13R1.646 CC[C@@H](N[13CH3])c1cccc(c1)OC 2230a_100015193793_200025704644 [0,2,0,0,0,0|2,0,0]=4 1911 B13R1.646 COC(OC)c1cccc(c1)SC 62a_100009816312_200000210301 [0,2,0,0,0,0|0,0,0]=2 1912 B13R1.646 COC(OC)c1cccc(c1)SC 62a_200000210301_100009816312 [0,2,0,0,0,0|0,0,0]=2 1913 B13R1.646 COC(OC)c1cccc(c1)S[13CH3] 62a_100009816312_200025704644 [0,2,0,0,0,0|0,0,0]=2 1914 B13R1.646 COC(OC)c1cccc(c1)S[13CH3] 62a_200025704644_100009816312 [0,2,0,0,0,0|0,0,0]=2 1915 B13R1.646 COC(OC)c1cncc(c1)SC 62a_100010232022_200000210301 [0,2,0,0,0,0|1,0,0]=3 1916 B13R1.646 COC(OC)c1cncc(c1)SC 62a_200000210301_100010232022 [0,2,0,0,0,0|1,0,0]=3 1917 B13R1.646 COC(OC)c1cncc(c1)S[13CH3] 62a_100010232022_200025704644 [0,2,0,0,0,0|1,0,0]=3 1918 B13R1.646 COC(OC)c1cncc(c1)S[13CH3] 62a_200025704644_100010232022 [0,2,0,0,0,0|1,0,0]=3 1919 B13R1.716 CC(C)[C@@H](N[13CH3])c1cccc(c1)Cl 2230a_100009818290_200025704644 [0,2,0,0,0,0|2,0,0]=4 1920 B13R1.716 CC(C)[C@@H](N[13CH3])c1cccc(c1)Cl 34a_100009818290_200025704644 [0,2,0,0,0,0|2,0,0]=4 1921 B13R1.716 CNC(c1cccc(c1)Br)C(C)C 269862a_106832991636_100011350656 [0,2,0,0,0,0|2,0,0]=4 1922 B13R1.716 CN[C@@H](c1cccc(c1)Cl)C(C)C 2230a_100009818290_200000210301 [0,2,0,0,0,0|2,0,0]=4 1923 B13R1.716 CN[C@@H](c1cccc(c1)Cl)C(C)C 34a_100009818290_200000210301 [0,2,0,0,0,0|2,0,0]=4 1924 B13R1.716 COC(C(=O)C)c1cccc(c1)Cl 1458a_100012350482_200000210301 [0,2,0,0,0,0|1,0,0]=3 1925 B13R1.716 COC(C(=O)[13CH3])c1cccc(c1)Cl 1458a_100012350482_200025704644 [0,2,0,0,0,0|1,0,0]=3 1926 B13R1.92 C=Cc1ccccc1C(OC)OC 271570a_100011290941_100010185899 [0,2,0,0,0,0|0,0,0]=2 1927 B13R1.92 CCC(NC)c1ccccc1OC 2230a_100016991433_200000210301 [0,2,0,0,0,0|2,0,0]=4 1928 B13R1.92 CCC(NC)c1ccccc1OC 269862a_106832991636_100000172531 [0,2,0,0,0,0|2,0,0]=4 1929 B13R1.92 CCC(N[13CH3])c1ccccc1OC 2230a_100016991433_200025704644 [0,2,0,0,0,0|2,0,0]=4 1930 B13R1.92 CCc1ccccc1C(CC)NC 269862a_106832991636_100011217099 [0,2,0,0,0,0|2,0,0]=4 1931 B13R1.92 COC(OC)c1ccccc1SC 62a_100010185899_200000210301 [0,2,0,0,0,0|0,0,0]=2 1932 B13R1.92 COC(OC)c1ccccc1SC 62a_200000210301_100010185899 [0,2,0,0,0,0|0,0,0]=2 1933 B13R1.92 COC(OC)c1ccccc1S[13CH3] 62a_100010185899_200025704644 [0,2,0,0,0,0|0,0,0]=2 1934 B13R1.92 COC(OC)c1ccccc1S[13CH3] 62a_200025704644_100010185899 [0,2,0,0,0,0|0,0,0]=2 1935 B13R1.720 CCC(C(=O)C)c1ccccc1Cl 1458a_100011667493_200000210301 [0,2,0,0,0,0|2,0,0]=4 1936 B13R1.720 CCC(C(=O)[13CH3])c1ccccc1Cl 1458a_100011667493_200025704644 [0,2,0,0,0,0|2,0,0]=4 1937 B13R1.720 COC(C(=O)C)c1ccccc1C 1458a_100012277922_200000210301 [0,2,0,0,0,0|1,0,0]=3 1938 B13R1.720 COC(C(=O)C)c1ccccc1F 1458a_100012277919_200000210301 [0,2,0,0,0,0|1,0,0]=3 1939 B13R1.720 COC(C(=O)[13CH3])c1ccccc1C 1458a_100012277922_200025704644 [0,2,0,0,0,0|1,0,0]=3 1940 B13R1.720 COC(C(=O)[13CH3])c1ccccc1F 1458a_100012277919_200025704644 [0,2,0,0,0,0|1,0,0]=3 1941 B13R1.2711 COC(C)(OC)c1ccccc1O 271570a_203496583355_200009816765 [0,2,0,0,0,0|0,0,0]=2 1942 B13R1.8528 COC(OC)c1c(cccc1F)O 271570a_203496583355_200010381955 [0,2,0,0,0,0|0,0,0]=2 1943 B13R1.412 CCC(CC)(NC)c1ccccc1 2230a_100020617177_200000210301 [0,2,0,0,0,0|2,0,0]=4 1944 B13R1.412 CCC(CC)(N[13CH3])c1ccccc1 2230a_100020617177_200025704644 [0,2,0,0,0,0|2,0,0]=4 1945 B13R1.412 CCC(CC)(OC)c1ccccc1 7a_200011218014_200000210301 [0,2,0,0,0,0|1,0,0]=3 1946 B13R1.412 CCC(CC)(OC)c1cccnc1 7a_200011376159_200000210301 [0,2,0,0,0,0|2,0,0]=4 1947 B13R1.412 CCC(CC)(O[13CH3])c1ccccc1 7a_200011218014_200025704644 [0,2,0,0,0,0|1,0,0]=3 1948 B13R1.412 CCC(CC)(O[13CH3])c1cccnc1 7a_200011376159_200025704644 [0,2,0,0,0,0|2,0,0]=4 1949 B13R1.3085 CCC(O)(C(=O)C)c1ccccc1 1458a_100011434905_200000210301 [0,2,0,0,0,0|2,0,0]=4 1950 B13R1.3085 CCC(O)(C(=O)[13CH3])c1ccccc1 1458a_100011434905_200025704644 [0,2,0,0,0,0|2,0,0]=4 1951 B13R1.719 CC(C)(C)C(N[13CH3])c1ccccc1 2230a_100000738585_200025704644 [0,2,0,0,0,0|2,0,0]=4 1952 B13R1.719 CNC(c1ccccc1)C(C)(C)C 2230a_100000738585_200000210301 [0,2,0,0,0,0|2,0,0]=4 1953 B13R1.719 CNC(c1ccccc1)C(C)(C)O 269862a_106832991636_100011217161 [0,2,0,0,0,0|2,0,0]=4 1954 B13R1.719 COC(c1ccccc1)C(Cl)(Cl)Cl 7a_100000745602_200000210301 [0,2,0,0,0,0|2,0,0]=4 1955 B13R1.719 COC(c1ccccc1)C(F)(F)F 34a_100011217100_200000210301 [0,2,0,0,0,0|2,0,0]=4 1956 B13R1.719 COC(c1ccccc1)C(F)(F)F 34a_100138415774_100011413029 [0,2,0,0,0,0|2,0,0]=4 1957 B13R1.719 COC(c1ccccc1)C(F)(F)F 7a_100011217100_200000210301 [0,2,0,0,0,0|2,0,0]=4 1958 B13R1.719 [13CH3]OC(c1ccccc1)C(Cl)(Cl)Cl 7a_100000745602_200025704644 [0,2,0,0,0,0|2,0,0]=4 1959 B13R1.719 [13CH3]OC(c1ccccc1)C(F)(F)F 34a_100011217100_200025704644 [0,2,0,0,0,0|2,0,0]=4 1960 B13R1.719 [13CH3]OC(c1ccccc1)C(F)(F)F 7a_100011217100_200025704644 [0,2,0,0,0,0|2,0,0]=4 1961 B13R1.1111 CC(=O)C(C(=O)C)c1ccccc1 1458a_100000070787_100009888967 [0,2,0,0,0,0|2,0,0]=4 1962 B13R1.1111 CC(=O)C(c1ccccc1)C(C)C 1458a_100000764467_200000210301 [0,2,0,0,0,0|2,0,0]=4 1963 B13R1.1111 CC(=O)C(c1ccccc1)N(C)C 1458a_100000743987_200000210301 [0,2,0,0,0,0|2,0,0]=4 1964 B13R1.1111 CC(=O)C(c1ccccc1)N(C)C 2230a_100102631434_100009888967 [0,2,0,0,0,0|2,0,0]=4 1965 B13R1.1111 CC(=O)C(c1ccccc1)N(C)C 269982a_100102631434_100009888967 [0,2,0,0,0,0|2,0,0]=4 1966 B13R1.1111 CC(C)C(C(=O)[13CH3])c1ccccc1 1458a_100000764467_200025704644 [0,2,0,0,0,0|2,0,0]=4 1967 B13R1.1111 CC(C)C(c1ccccc1)N(C)C 2230a_100000233099_200000210301 [0,2,0,0,0,0|2,0,0]=4 1968 B13R1.1111 CC(C)C(c1ccccc1)N(C)C 269982a_100000233099_200000210301 [0,2,0,0,0,0|2,0,0]=4 1969 B13R1.1111 CC(C)C(c1ccccc1)N(C)[13CH3] 2230a_100000233099_200025704644 [0,2,0,0,0,0|2,0,0]=4 1970 B13R1.1111 CC(C)C(c1ccccc1)N(C)[13CH3] 269982a_100000233099_200025704644 [0,2,0,0,0,0|2,0,0]=4 1971 B13R1.1111 CN(C)C(C(=O)[13CH3])c1ccccc1 1458a_100000743987_200025704644 [0,2,0,0,0,0|2,0,0]=4 1972 B11R1.265 C=Cc1cccc(c1OC)C 271570a_100011290941_100010141385 [0,0,1,1,0,0|1,0,1]=4 1973 B11R1.267 C=Cc1cccc(c1C)OC 271570a_100011290941_100010002647 [0,0,1,1,0,0|1,0,1]=4 1974 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [1,0,0,1,0,0|1,0,0]=3 1975 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [1,0,0,1,0,0|0,1,0]=3 1976 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [1,0,0,1,0,0|0,1,0]=3 1977 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [1,0,0,1,0,0|0,1,0]=3 1978 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [1,0,0,1,0,0|0,1,0]=3 1979 B13R2.45 COC1Cc2ccccc2C1O 34a_100138415774_100000211646 [0,0,0,1,0,1|2,0,0]=4 1980 B13R2.45 COc1cc2ccccc2n1C 34a_100000066695_200000210301 [0,0,0,1,0,1|1,0,1]=4 1981 B13R2.45 Cn1c(cc2c1cccc2)O[13CH3] 34a_100000066695_200025704644 [0,0,0,1,0,1|1,0,1]=4 1982 B13R2.57 CNC1CCc2ccccc2C1 2230a_100000748446_200000210301 [0,0,0,1,0,1|2,0,0]=4 1983 B13R2.57 CNC1CCc2ccccc2C1 270004a_106832991635_100000212018 [0,0,0,1,0,1|2,0,0]=4 1984 B13R2.57 CNC1CCc2ccccc2C1 34a_100000748446_200000210301 [0,0,0,1,0,1|2,0,0]=4 1985 B13R2.57 COC1CCc2ccccc2C1 34a_100011216300_200000210301 [0,0,0,1,0,1|1,0,0]=3 1986 B13R2.57 COC1CCc2ccccc2C1 7a_100011216300_200000210301 [0,0,0,1,0,1|1,0,0]=3 1987 B13R2.57 COC1Cc2ccccc2CO1 34a_200000095866_200000210301 [0,0,0,1,0,1|0,0,0]=2 1988 B13R2.57 [13CH3]NC1CCc2ccccc2C1 2230a_100000748446_200025704644 [0,0,0,1,0,1|2,0,0]=4 1989 B13R2.57 [13CH3]NC1CCc2ccccc2C1 34a_100000748446_200025704644 [0,0,0,1,0,1|2,0,0]=4 1990 B13R2.57 [13CH3]OC1CCc2ccccc2C1 34a_100011216300_200025704644 [0,0,0,1,0,1|1,0,0]=3 1991 B13R2.57 [13CH3]OC1CCc2ccccc2C1 7a_100011216300_200025704644 [0,0,0,1,0,1|1,0,0]=3 1992 B13R2.57 [13CH3]OC1Cc2ccccc2CO1 34a_200000095866_200025704644 [0,0,0,1,0,1|0,0,0]=2 1993 B13R2.64 c1ccc(cc1)NC2CCCC2 34a_100000106764_100000179811 [0,0,0,1,0,1|2,0,0]=4 1994 B13R2.64 c1ccc(cc1)OC2CCCC2 34a_100000210340_100000179811 [0,0,0,1,0,1|2,0,0]=4 1995 B13R2.64 c1ccc(cc1)OC2CCCC2 7a_100000210340_100000179811 [0,0,0,1,0,1|2,0,0]=4 1996 B13R2.64 c1ccc(cc1)SC2CCCC2 62a_100000719477_100000179811 [0,0,0,1,0,1|2,0,0]=4 1997 B13R2.64 c1ccc(cc1)SC2CCCC2 62a_100011217020_100000041952 [0,0,0,1,0,1|2,0,0]=4 1998 B13R2.1 CCNC1CCc2c1cccc2 2230a_100015525214_200000721974 [0,1,0,1,0,0|2,0,0]=4 1999 B13R2.1 CCNC1CCc2c1cccc2 269862a_100015525214_100000212051 [0,1,0,1,0,0|2,0,0]=4 2000 B13R2.1 CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210202 [0,1,0,1,0,0|2,0,0]=4 2001 B13R2.1 CCN[C@H]1CCc2c1cccc2 34a_100016989578_100000210202 [0,1,0,1,0,0|2,0,0]=4 2002 B13R2.1 CCOC1CCc2c1cccc2 34a_100000212247_100000210202 [0,1,0,1,0,0|1,0,0]=3 2003 B13R2.1 CCOC1CCc2c1cccc2 7a_100000212247_100000210202 [0,1,0,1,0,0|1,0,0]=3 2004 B13R2.1 CCSC1CCc2c1cccc2 62a_100000210202_200000721974 [0,1,0,1,0,0|1,1,0]=4 2005 B13R2.1 CNCC1CCc2c1cccc2 2230a_100020632452_200000210301 [0,1,0,1,0,0|2,0,0]=4 2006 B13R2.1 CNCC1CCc2c1cccc2 34a_100020632452_200000210301 [0,1,0,1,0,0|2,0,0]=4 2007 B13R2.1 FCN[C@H]1CCc2c1cccc2 34a_100016989578_100015361967 [0,1,0,1,0,0|2,0,0]=4 2008 B13R2.1 FCOC1CCc2c1cccc2 34a_100000212247_100015361967 [0,1,0,1,0,0|1,0,0]=3 2009 B13R2.1 FCOC1CCc2c1cccc2 7a_100000212247_100015361967 [0,1,0,1,0,0|1,0,0]=3 2010 B13R2.1 FCSC1CCc2c1cccc2 62a_100015361967_200000721974 [0,1,0,1,0,0|1,1,0]=4 2011 B13R2.1 [13CH3]NCC1CCc2c1cccc2 2230a_100020632452_200025704644 [0,1,0,1,0,0|2,0,0]=4 2012 B13R2.1 [13CH3]NCC1CCc2c1cccc2 34a_100020632452_200025704644 [0,1,0,1,0,0|2,0,0]=4 2013 B13R2.3 C1=C(CCCO1)c2ccccc2 271570a_100010175576_100000210277 [0,1,0,1,0,0|1,0,1]=4 2014 B13R2.3 C1=C(OCCC1)c2ccccc2 271570a_100010177797_100000210277 [0,1,0,1,0,0|1,0,1]=4 2015 B13R2.10 CN1CCC(C1)c2ccccc2 2230a_100000747531_200000210301 [0,1,0,1,0,0|2,0,0]=4 2016 B13R2.10 CN1CCC(C1)c2ccccc2 269982a_100000747531_200000210301 [0,1,0,1,0,0|2,0,0]=4 2017 B13R2.10 CN1CCC(C1)c2ccccc2 34a_100000747531_200000210301 [0,1,0,1,0,0|2,0,0]=4 2018 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 2230a_100000747531_200025704644 [0,1,0,1,0,0|2,0,0]=4 2019 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 269982a_100000747531_200025704644 [0,1,0,1,0,0|2,0,0]=4 2020 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 34a_100000747531_200025704644 [0,1,0,1,0,0|2,0,0]=4 2021 B13R2.15 CN1CCCC1c2ccccc2 2230a_100000243309_200000210301 [0,1,0,1,0,0|2,0,0]=4 2022 B13R2.15 CN1CCCC1c2ccccc2 269982a_100000243309_200000210301 [0,1,0,1,0,0|2,0,0]=4 2023 B13R2.15 CN1CCCC1c2ccccc2 34a_100000243309_200000210301 [0,1,0,1,0,0|2,0,0]=4 2024 B13R2.15 CN1CCSC1c2ccccc2 2230a_100000215944_200000210301 [0,1,0,1,0,0|1,1,0]=4 2025 B13R2.15 CN1CCSC1c2ccccc2 269982a_100000215944_200000210301 [0,1,0,1,0,0|1,1,0]=4 2026 B13R2.15 CN1CCSC1c2ccccc2 34a_100000215944_200000210301 [0,1,0,1,0,0|1,1,0]=4 2027 B13R2.15 CN1CCSC1c2ccccc2 7a_100000215944_200000210301 [0,1,0,1,0,0|1,1,0]=4 2028 B13R2.15 [13CH3]N1CCCC1c2ccccc2 2230a_100000243309_200025704644 [0,1,0,1,0,0|2,0,0]=4 2029 B13R2.15 [13CH3]N1CCCC1c2ccccc2 269982a_100000243309_200025704644 [0,1,0,1,0,0|2,0,0]=4 2030 B13R2.15 [13CH3]N1CCCC1c2ccccc2 34a_100000243309_200025704644 [0,1,0,1,0,0|2,0,0]=4 2031 B13R2.15 [13CH3]N1CCSC1c2ccccc2 2230a_100000215944_200025704644 [0,1,0,1,0,0|1,1,0]=4 2032 B13R2.15 [13CH3]N1CCSC1c2ccccc2 269982a_100000215944_200025704644 [0,1,0,1,0,0|1,1,0]=4 2033 B13R2.15 [13CH3]N1CCSC1c2ccccc2 34a_100000215944_200025704644 [0,1,0,1,0,0|1,1,0]=4 2034 B13R2.15 [13CH3]N1CCSC1c2ccccc2 7a_100000215944_200025704644 [0,1,0,1,0,0|1,1,0]=4 2035 B13R2.453 CCNC1(CC1)c2ccccc2 2230a_100000749958_100000210202 [0,1,0,1,0,0|2,0,0]=4 2036 B13R2.453 CNCC1(CC1)c2ccccc2 2230a_100000242008_200000210301 [0,1,0,1,0,0|2,0,0]=4 2037 B13R2.453 CNCC1(CC1)c2ccccc2 34a_100000242008_200000210301 [0,1,0,1,0,0|2,0,0]=4 2038 B13R2.453 COCC1(CC1)c2ccccc2 34a_100000704256_200000210301 [0,1,0,1,0,0|1,0,0]=3 2039 B13R2.453 COCC1(CC1)c2ccccc2 7a_100000704256_200000210301 [0,1,0,1,0,0|1,0,0]=3 2040 B13R2.453 [13CH3]NCC1(CC1)c2ccccc2 2230a_100000242008_200025704644 [0,1,0,1,0,0|2,0,0]=4 2041 B13R2.453 [13CH3]NCC1(CC1)c2ccccc2 34a_100000242008_200025704644 [0,1,0,1,0,0|2,0,0]=4 2042 B13R2.453 [13CH3]OCC1(CC1)c2ccccc2 34a_100000704256_200025704644 [0,1,0,1,0,0|1,0,0]=3 2043 B13R2.453 [13CH3]OCC1(CC1)c2ccccc2 7a_100000704256_200025704644 [0,1,0,1,0,0|1,0,0]=3 2044 B13R2.679 CNC(c1ccccc1)C2CC2 2230a_100000735078_200000210301 [0,1,0,1,0,0|2,0,0]=4 2045 B13R2.679 CNC(c1ccccc1)C2CC2 269862a_106832991636_100011218604 [0,1,0,1,0,0|2,0,0]=4 2046 B13R2.679 CNC(c1ccccc1)C2CC2 34a_100000735078_200000210301 [0,1,0,1,0,0|2,0,0]=4 2047 B13R2.679 COC(c1ccccc1)C2CC2 34a_100011215866_200000210301 [0,1,0,1,0,0|1,0,0]=3 2048 B13R2.679 COC(c1ccccc1)C2CC2 7a_100011215866_200000210301 [0,1,0,1,0,0|1,0,0]=3 2049 B13R2.679 COC(c1cccnc1)C2CC2 34a_100011376212_200000210301 [0,1,0,1,0,0|2,0,0]=4 2050 B13R2.679 COC(c1cccnc1)C2CC2 7a_100011376212_200000210301 [0,1,0,1,0,0|2,0,0]=4 2051 B13R2.679 [13CH3]NC(c1ccccc1)C2CC2 2230a_100000735078_200025704644 [0,1,0,1,0,0|2,0,0]=4 2052 B13R2.679 [13CH3]NC(c1ccccc1)C2CC2 34a_100000735078_200025704644 [0,1,0,1,0,0|2,0,0]=4 2053 B13R2.679 [13CH3]OC(c1ccccc1)C2CC2 34a_100011215866_200025704644 [0,1,0,1,0,0|1,0,0]=3 2054 B13R2.679 [13CH3]OC(c1ccccc1)C2CC2 7a_100011215866_200025704644 [0,1,0,1,0,0|1,0,0]=3 2055 B13R2.679 [13CH3]OC(c1cccnc1)C2CC2 34a_100011376212_200025704644 [0,1,0,1,0,0|2,0,0]=4 2056 B13R2.679 [13CH3]OC(c1cccnc1)C2CC2 7a_100011376212_200025704644 [0,1,0,1,0,0|2,0,0]=4 2057 B13R2.1613 CNC1CCCc2c1cccc2 269862a_106832991636_100000210882 [0,1,0,1,0,0|2,0,0]=4 2058 B13R2.1613 CNC1CCOc2c1cccc2 2230a_100015190321_200000210301 [0,1,0,1,0,0|2,0,0]=4 2059 B13R2.1613 CNC1CCSc2c1cccc2 269862a_106832991636_100000183853 [0,1,0,1,0,0|2,0,0]=4 2060 B13R2.1613 CNC1COCc2c1cccc2 269862a_106832991636_100000117393 [0,1,0,1,0,0|1,0,0]=3 2061 B13R2.1613 CN[C@H]1CCCc2c1cccc2 34a_100020654734_200000210301 [0,1,0,1,0,0|2,0,0]=4 2062 B13R2.1613 COC1CCCc2c1cccc2 34a_100000183665_200000210301 [0,1,0,1,0,0|1,0,0]=3 2063 B13R2.1613 COC1CCCc2c1cccc2 7a_100000183665_200000210301 [0,1,0,1,0,0|1,0,0]=3 2064 B13R2.1613 COC1CCOc2c1cccc2 7a_100000708930_200000210301 [0,1,0,1,0,0|1,0,0]=3 2065 B13R2.1613 COC1COCc2c1cccc2 34a_100012179175_200000210301 [0,1,0,1,0,0|0,0,0]=2 2066 B13R2.1613 [13CH3]NC1CCOc2c1cccc2 2230a_100015190321_200025704644 [0,1,0,1,0,0|2,0,0]=4 2067 B13R2.1613 [13CH3]N[C@H]1CCCc2c1cccc2 34a_100020654734_200025704644 [0,1,0,1,0,0|2,0,0]=4 2068 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 34a_100000183665_200025704644 [0,1,0,1,0,0|1,0,0]=3 2069 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 7a_100000183665_200025704644 [0,1,0,1,0,0|1,0,0]=3 2070 B13R2.1613 [13CH3]OC1CCOc2c1cccc2 7a_100000708930_200025704644 [0,1,0,1,0,0|1,0,0]=3 2071 B13R2.1613 [13CH3]OC1COCc2c1cccc2 34a_100012179175_200025704644 [0,1,0,1,0,0|0,0,0]=2 2072 B13R2.2539 CNC1(CCC1)c2ccccc2 2230a_100000734848_200000210301 [0,1,0,1,0,0|2,0,0]=4 2073 B13R2.2539 COC1(COC1)c2ccccc2 7a_100009829368_200000210301 [0,1,0,1,0,0|0,0,0]=2 2074 B13R2.2539 [13CH3]NC1(CCC1)c2ccccc2 2230a_100000734848_200025704644 [0,1,0,1,0,0|2,0,0]=4 2075 B13R2.2539 [13CH3]OC1(COC1)c2ccccc2 7a_100009829368_200025704644 [0,1,0,1,0,0|0,0,0]=2 2076 B13R2.2931 CNC1CC(c2c1cccc2)C 269862a_106832991636_100000750356 [0,1,0,1,0,0|2,0,0]=4 2077 B13R2.2931 CNC1OC(=O)c2c1cccc2 2230a_106832991635_100009813457 [0,1,0,1,0,0|1,0,1]=4 2078 B13R2.2931 CSC1OC(=O)c2c1cccc2 62a_200000210301_100009813457 [0,1,0,1,0,0|0,1,1]=4 2079 B13R2.2931 [13CH3]SC1OC(=O)c2c1cccc2 62a_200025704644_100009813457 [0,1,0,1,0,0|0,1,1]=4 2080 B13R2.12 Oc1ccc(cc1)C2=NCCO2 271570a_203496583355_100009812740 [0,1,0,1,0,0|1,0,1]=4 2081 B13R2.12 Oc1ccc(cc1)C2CCCN2 271570a_203496583355_100000766735 [0,1,0,1,0,0|2,0,0]=4 2082 B13R2.12 Oc1ccc(cc1)C2OCCO2 271570a_203496583355_100009813560 [0,1,0,1,0,0|0,0,0]=2 2083 B13R2.12 Oc1ccc(nc1)C2OCCO2 271570a_203496583355_100010170810 [0,1,0,1,0,0|1,0,0]=3 2084 B13R2.102 CNC1(CC1)c2ccc(cc2)Br 2230a_100000742681_200000210301 [0,1,0,1,0,0|2,0,0]=4 2085 B13R2.102 CNC1(CC1)c2ccc(cc2)Br 34a_100000742681_200000210301 [0,1,0,1,0,0|2,0,0]=4 2086 B13R2.102 CNC1(CC1)c2ccc(cc2)C 2230a_100015187186_200000210301 [0,1,0,1,0,0|2,0,0]=4 2087 B13R2.102 CNC1(CC1)c2ccc(cc2)C 34a_100015187186_200000210301 [0,1,0,1,0,0|2,0,0]=4 2088 B13R2.102 CNC1(CC1)c2ccc(cc2)Cl 2230a_100015183379_200000210301 [0,1,0,1,0,0|2,0,0]=4 2089 B13R2.102 CNC1(CC1)c2ccc(cc2)Cl 34a_100015183379_200000210301 [0,1,0,1,0,0|2,0,0]=4 2090 B13R2.102 CNC1(CC1)c2ccc(cc2)F 2230a_100000766225_200000210301 [0,1,0,1,0,0|2,0,0]=4 2091 B13R2.102 CNC1(CC1)c2ccc(cc2)F 34a_100000766225_200000210301 [0,1,0,1,0,0|2,0,0]=4 2092 B13R2.102 Cc1ccc(cc1)C2(CC2)N[13CH3] 2230a_100015187186_200025704644 [0,1,0,1,0,0|2,0,0]=4 2093 B13R2.102 Cc1ccc(cc1)C2(CC2)N[13CH3] 34a_100015187186_200025704644 [0,1,0,1,0,0|2,0,0]=4 2094 B13R2.102 [13CH3]NC1(CC1)c2ccc(cc2)Br 2230a_100000742681_200025704644 [0,1,0,1,0,0|2,0,0]=4 2095 B13R2.102 [13CH3]NC1(CC1)c2ccc(cc2)Br 34a_100000742681_200025704644 [0,1,0,1,0,0|2,0,0]=4 2096 B13R2.102 [13CH3]NC1(CC1)c2ccc(cc2)Cl 2230a_100015183379_200025704644 [0,1,0,1,0,0|2,0,0]=4 2097 B13R2.102 [13CH3]NC1(CC1)c2ccc(cc2)Cl 34a_100015183379_200025704644 [0,1,0,1,0,0|2,0,0]=4 2098 B13R2.102 [13CH3]NC1(CC1)c2ccc(cc2)F 2230a_100000766225_200025704644 [0,1,0,1,0,0|2,0,0]=4 2099 B13R2.102 [13CH3]NC1(CC1)c2ccc(cc2)F 34a_100000766225_200025704644 [0,1,0,1,0,0|2,0,0]=4 2100 B13R2.662 CNC1CCc2c1ccc(c2)Br 2230a_100000744021_200000210301 [0,1,0,1,0,0|2,0,0]=4 2101 B13R2.662 CNC1CCc2c1ccc(c2)Br 269862a_106832991636_100000737041 [0,1,0,1,0,0|2,0,0]=4 2102 B13R2.662 CNC1CCc2c1ccc(c2)Br 34a_100000744021_200000210301 [0,1,0,1,0,0|2,0,0]=4 2103 B13R2.662 CNC1CCc2c1ccc(c2)C 2230a_200000746848_200000210301 [0,1,0,1,0,0|2,0,0]=4 2104 B13R2.662 CNC1CCc2c1ccc(c2)C 269862a_106832991636_100000743249 [0,1,0,1,0,0|2,0,0]=4 2105 B13R2.662 CNC1CCc2c1ccc(c2)C 34a_200000746848_200000210301 [0,1,0,1,0,0|2,0,0]=4 2106 B13R2.662 CNC1CCc2c1ccc(c2)Cl 2230a_100000743821_200000210301 [0,1,0,1,0,0|2,0,0]=4 2107 B13R2.662 CNC1CCc2c1ccc(c2)Cl 269862a_106832991636_100000751102 [0,1,0,1,0,0|2,0,0]=4 2108 B13R2.662 CNC1CCc2c1ccc(c2)Cl 34a_100000743821_200000210301 [0,1,0,1,0,0|2,0,0]=4 2109 B13R2.662 CNC1CCc2c1ccc(c2)F 269862a_106832991636_100000035798 [0,1,0,1,0,0|2,0,0]=4 2110 B13R2.662 CNC1CCc2c1ccc(c2)I 269862a_106832991636_100000049573 [0,1,0,1,0,0|2,0,0]=4 2111 B13R2.662 CN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_200000210301 [0,1,0,1,0,0|2,0,0]=4 2112 B13R2.662 CN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_200000210301 [0,1,0,1,0,0|2,0,0]=4 2113 B13R2.662 COC1CCc2c1ccc(c2)Br 34a_100000747877_200000210301 [0,1,0,1,0,0|1,0,0]=3 2114 B13R2.662 COC1CCc2c1ccc(c2)Br 7a_100000747877_200000210301 [0,1,0,1,0,0|1,0,0]=3 2115 B13R2.662 COC1CCc2c1ccc(c2)C 34a_100000103036_200000210301 [0,1,0,1,0,0|1,0,0]=3 2116 B13R2.662 COC1CCc2c1ccc(c2)C 7a_100000103036_200000210301 [0,1,0,1,0,0|1,0,0]=3 2117 B13R2.662 COC1CCc2c1ccc(c2)Cl 34a_100012002497_200000210301 [0,1,0,1,0,0|1,0,0]=3 2118 B13R2.662 COC1CCc2c1ccc(c2)Cl 7a_100012002497_200000210301 [0,1,0,1,0,0|1,0,0]=3 2119 B13R2.662 COC1CCc2c1ccc(c2)F 34a_100012002498_200000210301 [0,1,0,1,0,0|1,0,0]=3 2120 B13R2.662 COC1CCc2c1ccc(c2)F 7a_100012002498_200000210301 [0,1,0,1,0,0|1,0,0]=3 2121 B13R2.662 Cc1ccc2c(c1)CCC2N[13CH3] 2230a_200000746848_200025704644 [0,1,0,1,0,0|2,0,0]=4 2122 B13R2.662 Cc1ccc2c(c1)CCC2N[13CH3] 34a_200000746848_200025704644 [0,1,0,1,0,0|2,0,0]=4 2123 B13R2.662 Cc1ccc2c(c1)CCC2O[13CH3] 34a_100000103036_200025704644 [0,1,0,1,0,0|1,0,0]=3 2124 B13R2.662 Cc1ccc2c(c1)CCC2O[13CH3] 7a_100000103036_200025704644 [0,1,0,1,0,0|1,0,0]=3 2125 B13R2.662 [13CH3]NC1CCc2c1ccc(c2)Br 2230a_100000744021_200025704644 [0,1,0,1,0,0|2,0,0]=4 2126 B13R2.662 [13CH3]NC1CCc2c1ccc(c2)Br 34a_100000744021_200025704644 [0,1,0,1,0,0|2,0,0]=4 2127 B13R2.662 [13CH3]NC1CCc2c1ccc(c2)Cl 2230a_100000743821_200025704644 [0,1,0,1,0,0|2,0,0]=4 2128 B13R2.662 [13CH3]NC1CCc2c1ccc(c2)Cl 34a_100000743821_200025704644 [0,1,0,1,0,0|2,0,0]=4 2129 B13R2.662 [13CH3]N[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_200025704644 [0,1,0,1,0,0|2,0,0]=4 2130 B13R2.662 [13CH3]N[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_200025704644 [0,1,0,1,0,0|2,0,0]=4 2131 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)Br 34a_100000747877_200025704644 [0,1,0,1,0,0|1,0,0]=3 2132 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)Br 7a_100000747877_200025704644 [0,1,0,1,0,0|1,0,0]=3 2133 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)Cl 34a_100012002497_200025704644 [0,1,0,1,0,0|1,0,0]=3 2134 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)Cl 7a_100012002497_200025704644 [0,1,0,1,0,0|1,0,0]=3 2135 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)F 34a_100012002498_200025704644 [0,1,0,1,0,0|1,0,0]=3 2136 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)F 7a_100012002498_200025704644 [0,1,0,1,0,0|1,0,0]=3 2137 B13R2.9 CNC1CCc2c1cccc2Br 2230a_100000751068_200000210301 [0,1,0,1,0,0|2,0,0]=4 2138 B13R2.9 CNC1CCc2c1cccc2Br 269862a_106832991636_100000744605 [0,1,0,1,0,0|2,0,0]=4 2139 B13R2.9 CNC1CCc2c1cccc2Br 34a_100000751068_200000210301 [0,1,0,1,0,0|2,0,0]=4 2140 B13R2.9 CNC1CCc2c1cccc2C 269862a_106832991636_100000752022 [0,1,0,1,0,0|2,0,0]=4 2141 B13R2.9 CNC1CCc2c1cccc2Cl 2230a_100000743989_200000210301 [0,1,0,1,0,0|2,0,0]=4 2142 B13R2.9 CNC1CCc2c1cccc2Cl 269862a_106832991636_100000743251 [0,1,0,1,0,0|2,0,0]=4 2143 B13R2.9 CNC1CCc2c1cccc2Cl 34a_100000743989_200000210301 [0,1,0,1,0,0|2,0,0]=4 2144 B13R2.9 CNC1CCc2c1cccc2F 269862a_106832991636_100000743250 [0,1,0,1,0,0|2,0,0]=4 2145 B13R2.9 CNC1CCc2c1cccc2I 269862a_106832991636_100000049675 [0,1,0,1,0,0|2,0,0]=4 2146 B13R2.9 CN[C@H]1CCc2c1cccc2C 2230a_100134618347_200000210301 [0,1,0,1,0,0|2,0,0]=4 2147 B13R2.9 CN[C@H]1CCc2c1cccc2C 34a_100134618347_200000210301 [0,1,0,1,0,0|2,0,0]=4 2148 B13R2.9 CN[C@H]1CCc2c1cccc2F 2230a_100015193782_200000210301 [0,1,0,1,0,0|2,0,0]=4 2149 B13R2.9 CN[C@H]1CCc2c1cccc2F 34a_100015193782_200000210301 [0,1,0,1,0,0|2,0,0]=4 2150 B13R2.9 CN[C@H]1CCc2c1cccc2O 2230a_100134616730_200000210301 [0,1,0,1,0,0|2,0,0]=4 2151 B13R2.9 CN[C@H]1CCc2c1cccc2O 34a_100134616730_200000210301 [0,1,0,1,0,0|2,0,0]=4 2152 B13R2.9 COC1CCc2c1cccc2C 34a_100011467954_200000210301 [0,1,0,1,0,0|1,0,0]=3 2153 B13R2.9 COC1CCc2c1cccc2C 7a_100011467954_200000210301 [0,1,0,1,0,0|1,0,0]=3 2154 B13R2.9 COC1CCc2c1nccc2Cl 7a_100009868430_200000210301 [0,1,0,1,0,0|2,0,0]=4 2155 B13R2.9 CO[C@H]1CCc2c1cccc2Br 34a_100010080924_200000210301 [0,1,0,1,0,0|1,0,0]=3 2156 B13R2.9 CO[C@H]1CCc2c1cccc2Br 7a_100010080924_200000210301 [0,1,0,1,0,0|1,0,0]=3 2157 B13R2.9 Cc1cccc2c1CCC2O[13CH3] 34a_100011467954_200025704644 [0,1,0,1,0,0|1,0,0]=3 2158 B13R2.9 Cc1cccc2c1CCC2O[13CH3] 7a_100011467954_200025704644 [0,1,0,1,0,0|1,0,0]=3 2159 B13R2.9 Cc1cccc2c1CC[C@@H]2N[13CH3] 2230a_100134618347_200025704644 [0,1,0,1,0,0|2,0,0]=4 2160 B13R2.9 Cc1cccc2c1CC[C@@H]2N[13CH3] 34a_100134618347_200025704644 [0,1,0,1,0,0|2,0,0]=4 2161 B13R2.9 [13CH3]NC1CCc2c1cccc2Br 2230a_100000751068_200025704644 [0,1,0,1,0,0|2,0,0]=4 2162 B13R2.9 [13CH3]NC1CCc2c1cccc2Br 34a_100000751068_200025704644 [0,1,0,1,0,0|2,0,0]=4 2163 B13R2.9 [13CH3]NC1CCc2c1cccc2Cl 2230a_100000743989_200025704644 [0,1,0,1,0,0|2,0,0]=4 2164 B13R2.9 [13CH3]NC1CCc2c1cccc2Cl 34a_100000743989_200025704644 [0,1,0,1,0,0|2,0,0]=4 2165 B13R2.9 [13CH3]N[C@H]1CCc2c1cccc2F 2230a_100015193782_200025704644 [0,1,0,1,0,0|2,0,0]=4 2166 B13R2.9 [13CH3]N[C@H]1CCc2c1cccc2F 34a_100015193782_200025704644 [0,1,0,1,0,0|2,0,0]=4 2167 B13R2.9 [13CH3]N[C@H]1CCc2c1cccc2O 2230a_100134616730_200025704644 [0,1,0,1,0,0|2,0,0]=4 2168 B13R2.9 [13CH3]N[C@H]1CCc2c1cccc2O 34a_100134616730_200025704644 [0,1,0,1,0,0|2,0,0]=4 2169 B13R2.9 [13CH3]OC1CCc2c1nccc2Cl 7a_100009868430_200025704644 [0,1,0,1,0,0|2,0,0]=4 2170 B13R2.9 [13CH3]O[C@H]1CCc2c1cccc2Br 34a_100010080924_200025704644 [0,1,0,1,0,0|1,0,0]=3 2171 B13R2.9 [13CH3]O[C@H]1CCc2c1cccc2Br 7a_100010080924_200025704644 [0,1,0,1,0,0|1,0,0]=3 2172 B13R2.13 Oc1cccc(c1)C2CCCN2 271570a_203496583355_100015187783 [0,1,0,1,0,0|2,0,0]=4 2173 B13R2.13 Oc1cccc(c1)C2OCCO2 271570a_203496583355_100009813323 [0,1,0,1,0,0|0,0,0]=2 2174 B13R2.13 Oc1ccnc(c1)C2OCCO2 271570a_203496583355_100010879467 [0,1,0,1,0,0|1,0,0]=3 2175 B13R2.13 Oc1cncc(c1)C2OCCO2 271570a_203496583355_100010134100 [0,1,0,1,0,0|1,0,0]=3 2176 B13R2.100 CNC1(CC1)c2cccc(c2)Br 34a_100000759329_200000210301 [0,1,0,1,0,0|2,0,0]=4 2177 B13R2.100 CNC1(CC1)c2cccc(c2)C 2230a_200011271475_200000210301 [0,1,0,1,0,0|2,0,0]=4 2178 B13R2.100 CNC1(CC1)c2cccc(c2)C 34a_200011271475_200000210301 [0,1,0,1,0,0|2,0,0]=4 2179 B13R2.100 CNC1(CC1)c2cccc(c2)Cl 2230a_100000758950_200000210301 [0,1,0,1,0,0|2,0,0]=4 2180 B13R2.100 CNC1(CC1)c2cccc(c2)Cl 34a_100000758950_200000210301 [0,1,0,1,0,0|2,0,0]=4 2181 B13R2.100 CNC1(CC1)c2cccc(c2)F 2230a_100000758951_200000210301 [0,1,0,1,0,0|2,0,0]=4 2182 B13R2.100 CNC1(CC1)c2cccc(c2)F 34a_100000758951_200000210301 [0,1,0,1,0,0|2,0,0]=4 2183 B13R2.100 Cc1cccc(c1)C2(CC2)N[13CH3] 2230a_200011271475_200025704644 [0,1,0,1,0,0|2,0,0]=4 2184 B13R2.100 Cc1cccc(c1)C2(CC2)N[13CH3] 34a_200011271475_200025704644 [0,1,0,1,0,0|2,0,0]=4 2185 B13R2.100 [13CH3]NC1(CC1)c2cccc(c2)Br 34a_100000759329_200025704644 [0,1,0,1,0,0|2,0,0]=4 2186 B13R2.100 [13CH3]NC1(CC1)c2cccc(c2)Cl 2230a_100000758950_200025704644 [0,1,0,1,0,0|2,0,0]=4 2187 B13R2.100 [13CH3]NC1(CC1)c2cccc(c2)Cl 34a_100000758950_200025704644 [0,1,0,1,0,0|2,0,0]=4 2188 B13R2.100 [13CH3]NC1(CC1)c2cccc(c2)F 2230a_100000758951_200025704644 [0,1,0,1,0,0|2,0,0]=4 2189 B13R2.100 [13CH3]NC1(CC1)c2cccc(c2)F 34a_100000758951_200025704644 [0,1,0,1,0,0|2,0,0]=4 2190 B13R2.2136 CNC1CCc2c1cc(cc2)Br 2230a_100011435097_200000210301 [0,1,0,1,0,0|2,0,0]=4 2191 B13R2.2136 CNC1CCc2c1cc(cc2)Br 269862a_106832991636_100000759401 [0,1,0,1,0,0|2,0,0]=4 2192 B13R2.2136 CNC1CCc2c1cc(cc2)Br 34a_100011435097_200000210301 [0,1,0,1,0,0|2,0,0]=4 2193 B13R2.2136 CNC1CCc2c1cc(cc2)C 269862a_106832991636_100000753597 [0,1,0,1,0,0|2,0,0]=4 2194 B13R2.2136 CNC1CCc2c1cc(cc2)Cl 2230a_100016987686_200000210301 [0,1,0,1,0,0|2,0,0]=4 2195 B13R2.2136 CNC1CCc2c1cc(cc2)Cl 269862a_106832991636_100000759629 [0,1,0,1,0,0|2,0,0]=4 2196 B13R2.2136 CNC1CCc2c1cc(cc2)Cl 34a_100016987686_200000210301 [0,1,0,1,0,0|2,0,0]=4 2197 B13R2.2136 CNC1CCc2c1cc(cc2)F 2230a_100000752734_200000210301 [0,1,0,1,0,0|2,0,0]=4 2198 B13R2.2136 CNC1CCc2c1cc(cc2)F 269862a_106832991636_100000759630 [0,1,0,1,0,0|2,0,0]=4 2199 B13R2.2136 CNC1CCc2c1cc(cc2)F 34a_100000752734_200000210301 [0,1,0,1,0,0|2,0,0]=4 2200 B13R2.2136 CNC1CCc2c1cc(cc2)I 269862a_106832991636_100011356848 [0,1,0,1,0,0|2,0,0]=4 2201 B13R2.2136 COC1CCc2c1cc(cc2)Br 34a_100011836024_200000210301 [0,1,0,1,0,0|1,0,0]=3 2202 B13R2.2136 COC1CCc2c1cc(cc2)Br 7a_100011836024_200000210301 [0,1,0,1,0,0|1,0,0]=3 2203 B13R2.2136 [13CH3]NC1CCc2c1cc(cc2)Br 2230a_100011435097_200025704644 [0,1,0,1,0,0|2,0,0]=4 2204 B13R2.2136 [13CH3]NC1CCc2c1cc(cc2)Br 34a_100011435097_200025704644 [0,1,0,1,0,0|2,0,0]=4 2205 B13R2.2136 [13CH3]NC1CCc2c1cc(cc2)Cl 2230a_100016987686_200025704644 [0,1,0,1,0,0|2,0,0]=4 2206 B13R2.2136 [13CH3]NC1CCc2c1cc(cc2)Cl 34a_100016987686_200025704644 [0,1,0,1,0,0|2,0,0]=4 2207 B13R2.2136 [13CH3]NC1CCc2c1cc(cc2)F 2230a_100000752734_200025704644 [0,1,0,1,0,0|2,0,0]=4 2208 B13R2.2136 [13CH3]NC1CCc2c1cc(cc2)F 34a_100000752734_200025704644 [0,1,0,1,0,0|2,0,0]=4 2209 B13R2.2136 [13CH3]OC1CCc2c1cc(cc2)Br 34a_100011836024_200025704644 [0,1,0,1,0,0|1,0,0]=3 2210 B13R2.2136 [13CH3]OC1CCc2c1cc(cc2)Br 7a_100011836024_200025704644 [0,1,0,1,0,0|1,0,0]=3 2211 B13R2.18 Oc1ccccc1C2CCCN2 271570a_203496583355_100000686366 [0,1,0,1,0,0|2,0,0]=4 2212 B13R2.18 Oc1ccccc1C2OCCO2 271570a_203496583355_100009814316 [0,1,0,1,0,0|0,0,0]=2 2213 B13R2.135 CN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_200000210301 [0,1,0,1,0,0|2,0,0]=4 2214 B13R2.135 [13CH3]N[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_200025704644 [0,1,0,1,0,0|2,0,0]=4 2215 B13R2.2091 CNC1CCc2c1c(ccc2)Br 2230a_100103168669_200000210301 [0,1,0,1,0,0|2,0,0]=4 2216 B13R2.2091 CNC1CCc2c1c(ccc2)Br 34a_100103168669_200000210301 [0,1,0,1,0,0|2,0,0]=4 2217 B13R2.2091 COC1CSc2c1c(ccc2)Br 7a_200010991195_200000210301 [0,1,0,1,0,0|2,0,0]=4 2218 B13R2.2091 [13CH3]NC1CCc2c1c(ccc2)Br 2230a_100103168669_200025704644 [0,1,0,1,0,0|2,0,0]=4 2219 B13R2.2091 [13CH3]NC1CCc2c1c(ccc2)Br 34a_100103168669_200025704644 [0,1,0,1,0,0|2,0,0]=4 2220 B13R2.2091 [13CH3]OC1CSc2c1c(ccc2)Br 7a_200010991195_200025704644 [0,1,0,1,0,0|2,0,0]=4 2221 B13R2.2552 CNC1(CC1)c2ccccc2Br 2230a_200000691159_200000210301 [0,1,0,1,0,0|2,0,0]=4 2222 B13R2.2552 CNC1(CC1)c2ccccc2Br 34a_200000691159_200000210301 [0,1,0,1,0,0|2,0,0]=4 2223 B13R2.2552 CNC1(CC1)c2ccccc2Cl 2230a_100015187805_200000210301 [0,1,0,1,0,0|2,0,0]=4 2224 B13R2.2552 CNC1(CC1)c2ccccc2Cl 34a_100015187805_200000210301 [0,1,0,1,0,0|2,0,0]=4 2225 B13R2.2552 CNC1(CC1)c2ccccc2F 2230a_100000757808_200000210301 [0,1,0,1,0,0|2,0,0]=4 2226 B13R2.2552 CNC1(CC1)c2ccccc2F 34a_100000757808_200000210301 [0,1,0,1,0,0|2,0,0]=4 2227 B13R2.2552 [13CH3]NC1(CC1)c2ccccc2Br 2230a_200000691159_200025704644 [0,1,0,1,0,0|2,0,0]=4 2228 B13R2.2552 [13CH3]NC1(CC1)c2ccccc2Br 34a_200000691159_200025704644 [0,1,0,1,0,0|2,0,0]=4 2229 B13R2.2552 [13CH3]NC1(CC1)c2ccccc2Cl 2230a_100015187805_200025704644 [0,1,0,1,0,0|2,0,0]=4 2230 B13R2.2552 [13CH3]NC1(CC1)c2ccccc2Cl 34a_100015187805_200025704644 [0,1,0,1,0,0|2,0,0]=4 2231 B13R2.2552 [13CH3]NC1(CC1)c2ccccc2F 2230a_100000757808_200025704644 [0,1,0,1,0,0|2,0,0]=4 2232 B13R2.2552 [13CH3]NC1(CC1)c2ccccc2F 34a_100000757808_200025704644 [0,1,0,1,0,0|2,0,0]=4 2233 B13R2.2531 CC1(CCc2c1cccc2)O[13CH3] 34a_100000685031_200025704644 [0,1,0,1,0,0|1,0,0]=3 2234 B13R2.2531 CC1(CCc2c1cccc2)O[13CH3] 7a_100000685031_200025704644 [0,1,0,1,0,0|1,0,0]=3 2235 B13R2.2531 COC1(CCc2c1cccc2)C 34a_100000685031_200000210301 [0,1,0,1,0,0|1,0,0]=3 2236 B13R2.2531 COC1(CCc2c1cccc2)C 7a_100000685031_200000210301 [0,1,0,1,0,0|1,0,0]=3 2237 B13R2.72 CC(=O)C1CCc2c1cccc2 1458a_100000750891_200000210301 [0,1,0,1,0,0|2,0,0]=4 2238 B13R2.72 CN(C)C1CCc2c1cccc2 2230a_100102631434_200000721974 [0,1,0,1,0,0|2,0,0]=4 2239 B13R2.72 CN(C)C1CCc2c1cccc2 269982a_100102631434_200000721974 [0,1,0,1,0,0|2,0,0]=4 2240 B13R2.72 [13CH3]C(=O)C1CCc2c1cccc2 1458a_100000750891_200025704644 [0,1,0,1,0,0|2,0,0]=4 2241 B13R2.439 CC(=O)C1(CC1)c2ccccc2 1458a_100000211650_200000210301 [0,1,0,1,0,0|2,0,0]=4 2242 B13R2.439 [13CH3]C(=O)C1(CC1)c2ccccc2 1458a_100000211650_200025704644 [0,1,0,1,0,0|2,0,0]=4 2243 B9R1.11 CC(N[13CH3])c1cccs1 2230a_100000703493_200025704644 [1,0,0,0,1,0|2,0,0]=4 2244 B9R1.11 CC(N[13CH3])c1ccoc1 2230a_100000690049_200025704644 [1,0,0,0,1,0|2,0,0]=4 2245 B9R1.11 CC(N[13CH3])c1ccsc1 2230a_100000748604_200025704644 [1,0,0,0,1,0|2,0,0]=4 2246 B9R1.11 CC(O[13CH3])c1ccsc1 34a_100011350980_200025704644 [1,0,0,0,1,0|1,0,0]=3 2247 B9R1.11 CC(O[13CH3])c1ccsc1 7a_100011350980_200025704644 [1,0,0,0,1,0|1,0,0]=3 2248 B9R1.11 CC(O[13CH3])c1nccs1 7a_100000751044_200025704644 [1,0,0,0,1,0|2,0,0]=4 2249 B9R1.11 CNC(C)c1cc[nH]c1 269862a_106832991636_100000753940 [1,0,0,0,1,0|2,0,0]=4 2250 B9R1.11 CNC(C)c1ccc[nH]1 269862a_106832991636_100000183661 [1,0,0,0,1,0|2,0,0]=4 2251 B9R1.11 CNC(C)c1cccs1 2230a_100000703493_200000210301 [1,0,0,0,1,0|2,0,0]=4 2252 B9R1.11 CNC(C)c1cccs1 269862a_106832991636_100000185736 [1,0,0,0,1,0|2,0,0]=4 2253 B9R1.11 CNC(C)c1ccoc1 2230a_100000690049_200000210301 [1,0,0,0,1,0|2,0,0]=4 2254 B9R1.11 CNC(C)c1ccsc1 2230a_100000748604_200000210301 [1,0,0,0,1,0|2,0,0]=4 2255 B9R1.11 CNC(C)c1ccsc1 269862a_106832991636_100000747891 [1,0,0,0,1,0|2,0,0]=4 2256 B9R1.11 CN[C@H](C)c1ccco1 2230a_100160469435_200000210301 [1,0,0,0,1,0|2,0,0]=4 2257 B9R1.11 COC(C)c1ccsc1 34a_100011350980_200000210301 [1,0,0,0,1,0|1,0,0]=3 2258 B9R1.11 COC(C)c1ccsc1 7a_100011350980_200000210301 [1,0,0,0,1,0|1,0,0]=3 2259 B9R1.11 COC(C)c1nccs1 7a_100000751044_200000210301 [1,0,0,0,1,0|2,0,0]=4 2260 B9R1.11 CO[C@@H](C)c1ccco1 34a_100000755270_200000210301 [1,0,0,0,1,0|1,0,0]=3 2261 B9R1.11 CO[C@@H](C)c1ccco1 7a_100000755270_200000210301 [1,0,0,0,1,0|1,0,0]=3 2262 B9R1.11 CO[C@H](C)c1cccs1 7a_100000750433_200000210301 [1,0,0,0,1,0|1,0,0]=3 2263 B9R1.11 C[C@@H](N[13CH3])c1ccco1 2230a_100160469435_200025704644 [1,0,0,0,1,0|2,0,0]=4 2264 B9R1.11 C[C@@H](O[13CH3])c1cccs1 7a_100000750433_200025704644 [1,0,0,0,1,0|1,0,0]=3 2265 B9R1.11 C[C@H](O[13CH3])c1ccco1 34a_100000755270_200025704644 [1,0,0,0,1,0|1,0,0]=3 2266 B9R1.11 C[C@H](O[13CH3])c1ccco1 7a_100000755270_200025704644 [1,0,0,0,1,0|1,0,0]=3 2267 B11R1.40 C#CC(C)Nc1ccccc1 34a_100000106764_200000035995 [1,0,0,0,0,1|1,0,1]=4 2268 B11R1.40 C#CC(C)Oc1ccccc1 34a_100000210340_200000035995 [1,0,0,0,0,1|1,0,1]=4 2269 B11R1.40 C#CC(C)Sc1ccccc1 62a_200000035995_100000041952 [1,0,0,0,0,1|1,0,1]=4 2270 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [1,0,0,0,0,1|1,0,1]=4 2271 B11R1.40 CC(C#N)Oc1ccccc1 7a_100000210340_100000703298 [1,0,0,0,0,1|2,0,0]=4 2272 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000703298_100000041952 [1,0,0,0,0,1|2,0,0]=4 2273 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000719477_100000703298 [1,0,0,0,0,1|2,0,0]=4 2274 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [1,0,0,0,0,1|2,0,0]=4 2275 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [1,0,0,0,0,1|2,0,0]=4 2276 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [1,0,0,0,0,1|2,0,0]=4 2277 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [1,0,0,0,0,1|2,0,0]=4 2278 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [1,0,0,0,0,1|0,0,0]=2 2279 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [1,0,0,0,0,1|0,0,0]=2 2280 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [1,0,0,0,0,1|0,1,0]=3 2281 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [1,0,0,0,0,1|0,1,0]=3 2282 B11R1.40 CC(Cc1ccccn1)N[13CH3] 2230a_100000238496_200025704644 [1,0,0,0,0,1|2,0,0]=4 2283 B11R1.40 CC(Cc1cccnc1)N[13CH3] 2230a_100011207255_200025704644 [1,0,0,0,0,1|2,0,0]=4 2284 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [1,0,0,0,0,1|1,0,0]=3 2285 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [1,0,0,0,0,1|1,0,0]=3 2286 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [1,0,0,0,0,1|1,0,0]=3 2287 B11R1.40 CCC(C)Oc1cccnc1 34a_100000210849_100011215416 [1,0,0,0,0,1|2,0,0]=4 2288 B11R1.40 CCC(C)Oc1cccnc1 7a_100000210849_100000758301 [1,0,0,0,0,1|2,0,0]=4 2289 B11R1.40 CCC(C)Oc1ccncc1 34a_100000212176_100011215416 [1,0,0,0,0,1|2,0,0]=4 2290 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [1,0,0,0,0,1|1,0,0]=3 2291 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [1,0,0,0,0,1|1,0,0]=3 2292 B11R1.40 CCC(C)Sc1ccccn1 62a_100000758301_100011216584 [1,0,0,0,0,1|2,0,0]=4 2293 B11R1.40 CCC(C)Sc1ccccn1 62a_100011216584_100000758301 [1,0,0,0,0,1|2,0,0]=4 2294 B11R1.40 CCC(C)Sc1cccnc1 62a_100000210063_100000758301 [1,0,0,0,0,1|2,0,0]=4 2295 B11R1.40 CCC(C)Sc1cccnc1 62a_100000758301_100000210063 [1,0,0,0,0,1|2,0,0]=4 2296 B11R1.40 CCC(C)Sc1ccncc1 62a_100000728582_100000758301 [1,0,0,0,0,1|2,0,0]=4 2297 B11R1.40 CCC(C)Sc1ccncc1 62a_100000758301_100000728582 [1,0,0,0,0,1|2,0,0]=4 2298 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [1,0,0,0,0,1|2,0,0]=4 2299 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [1,0,0,0,0,1|2,0,0]=4 2300 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [1,0,0,0,0,1|2,0,0]=4 2301 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [1,0,0,0,0,1|2,0,0]=4 2302 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [1,0,0,0,0,1|2,0,0]=4 2303 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [1,0,0,0,0,1|2,0,0]=4 2304 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [1,0,0,0,0,1|2,0,0]=4 2305 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [1,0,0,0,0,1|2,0,0]=4 2306 B11R1.40 CNC(C)C[n+]1ccccc1 270004a_106832991635_100000034229 [1,0,0,0,0,1|2,0,0]=4 2307 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [1,0,0,0,0,1|1,0,0]=3 2308 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [1,0,0,0,0,1|1,0,0]=3 2309 B11R1.40 CNC(C)Cc1ccccn1 2230a_100000238496_200000210301 [1,0,0,0,0,1|2,0,0]=4 2310 B11R1.40 CNC(C)Cc1cccnc1 2230a_100011207255_200000210301 [1,0,0,0,0,1|2,0,0]=4 2311 B11R1.40 CNC(C)Cc1cccnc1 270004a_106832991635_100015187140 [1,0,0,0,0,1|2,0,0]=4 2312 B11R1.40 CNC(C)Cc1ccncc1 270004a_106832991635_100000238508 [1,0,0,0,0,1|2,0,0]=4 2313 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [1,0,0,0,0,1|0,0,0]=2 2314 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [1,0,0,0,0,1|0,0,0]=2 2315 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [1,0,0,0,0,1|0,0,0]=2 2316 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [1,0,0,0,0,1|0,0,0]=2 2317 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [1,0,0,0,0,1|0,0,0]=2 2318 B11R1.40 COC(C)Sc1ccccn1 62a_100009879195_100011216584 [1,0,0,0,0,1|1,0,0]=3 2319 B11R1.40 COC(C)Sc1ccccn1 62a_100011216584_100009879195 [1,0,0,0,0,1|1,0,0]=3 2320 B11R1.40 COC(C)Sc1cccnc1 62a_100000210063_100009879195 [1,0,0,0,0,1|1,0,0]=3 2321 B11R1.40 COC(C)Sc1cccnc1 62a_100009879195_100000210063 [1,0,0,0,0,1|1,0,0]=3 2322 B11R1.40 COC(C)Sc1cccnn1 62a_100009879195_100016991348 [1,0,0,0,0,1|2,0,0]=4 2323 B11R1.40 COC(C)Sc1cccnn1 62a_100016991348_100009879195 [1,0,0,0,0,1|2,0,0]=4 2324 B11R1.40 COC(C)Sc1ccncc1 62a_100000728582_100009879195 [1,0,0,0,0,1|1,0,0]=3 2325 B11R1.40 COC(C)Sc1ccncc1 62a_100009879195_100000728582 [1,0,0,0,0,1|1,0,0]=3 2326 B11R1.40 COC(C)Sc1ccncn1 62a_100000703185_100009879195 [1,0,0,0,0,1|2,0,0]=4 2327 B11R1.40 COC(C)Sc1ccncn1 62a_100009879195_100000703185 [1,0,0,0,0,1|2,0,0]=4 2328 B11R1.40 COC(C)Sc1ccnnc1 62a_100000732662_100009879195 [1,0,0,0,0,1|2,0,0]=4 2329 B11R1.40 COC(C)Sc1ccnnc1 62a_100009879195_100000732662 [1,0,0,0,0,1|2,0,0]=4 2330 B11R1.40 COC(C)Sc1cnccn1 62a_100000211759_100009879195 [1,0,0,0,0,1|2,0,0]=4 2331 B11R1.40 COC(C)Sc1cnccn1 62a_100009879195_100000211759 [1,0,0,0,0,1|2,0,0]=4 2332 B11R1.40 COC(C)Sc1cncnc1 62a_100009879195_100011206942 [1,0,0,0,0,1|2,0,0]=4 2333 B11R1.40 COC(C)Sc1cncnc1 62a_100011206942_100009879195 [1,0,0,0,0,1|2,0,0]=4 2334 B11R1.40 COC(C)Sc1ncccn1 62a_100000211032_100009879195 [1,0,0,0,0,1|2,0,0]=4 2335 B11R1.40 COC(C)Sc1ncccn1 62a_100009879195_100000211032 [1,0,0,0,0,1|2,0,0]=4 2336 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [1,0,0,0,0,1|0,1,0]=3 2337 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [1,0,0,0,0,1|0,1,0]=3 2338 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [1,0,0,0,0,1|2,0,0]=4 2339 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [1,0,0,0,0,1|2,0,0]=4 2340 B13R1.417 CCC(C#Cc1ccccc1)OC 34a_200000065154_200000210301 [0,0,0,0,0,2|1,0,0]=3 2341 B13R1.417 CCC(C#Cc1ccccc1)OC 7a_200000065154_200000210301 [0,0,0,0,0,2|1,0,0]=3 2342 B13R1.417 CCC(C#Cc1ccccc1)O[13CH3] 34a_200000065154_200025704644 [0,0,0,0,0,2|1,0,0]=3 2343 B13R1.417 CCC(C#Cc1ccccc1)O[13CH3] 7a_200000065154_200025704644 [0,0,0,0,0,2|1,0,0]=3 2344 B13R1.417 CCC(CC)CNc1ccccc1 34a_100000106764_100011215472 [0,0,0,0,0,2|2,0,0]=4 2345 B13R1.417 CCC(CC)COc1ccccc1 34a_100000210340_100011215472 [0,0,0,0,0,2|2,0,0]=4 2346 B13R1.417 CCC(CC)COc1ccccc1 7a_100000210340_100011215472 [0,0,0,0,0,2|2,0,0]=4 2347 B13R1.417 CCC(CC)CSc1ccccc1 62a_100000719477_100011215472 [0,0,0,0,0,2|2,0,0]=4 2348 B13R1.417 CCC(CC)CSc1ccccc1 62a_100011215472_100000041952 [0,0,0,0,0,2|2,0,0]=4 2349 B13R1.417 CCC(CC)NCc1ccccc1 207a_100000199018_100015611070 [0,0,0,0,0,2|2,0,0]=4 2350 B13R1.417 CCC(CC)NCc1ccccc1 2230a_100000199018_100015291786 [0,0,0,0,0,2|2,0,0]=4 2351 B13R1.417 CCC(CC)NCc1ccccc1 270004a_100000199018_100015611070 [0,0,0,0,0,2|2,0,0]=4 2352 B13R1.417 CCC(CC)NCc1ccccc1 270004a_100015324214_100000210860 [0,0,0,0,0,2|2,0,0]=4 2353 B13R1.417 CCC(CC)OCc1ccccc1 7a_100000210790_100000210505 [0,0,0,0,0,2|2,0,0]=4 2354 B13R1.417 CCC(CC)OCc1ccccc1 7a_100000688536_100000211182 [0,0,0,0,0,2|2,0,0]=4 2355 B13R1.417 CCC(CC)SCc1ccccc1 62a_100000210505_100015291786 [0,0,0,0,0,2|2,0,0]=4 2356 B13R1.417 CCC(CC)SCc1ccccc1 62a_100000211182_100000210505 [0,0,0,0,0,2|2,0,0]=4 2357 B13R1.417 CCC(CCc1ccccc1)NC 270004a_106832991635_100011279265 [0,0,0,0,0,2|2,0,0]=4 2358 B13R1.417 COC(CN)COc1ccccc1 34a_100000738913_200000210301 [0,0,0,0,0,2|2,0,0]=4 2359 B13R1.417 COC(CNc1ccccc1)OC 34a_100000106764_100000211822 [0,0,0,0,0,2|0,0,0]=2 2360 B13R1.417 COC(COc1ccccc1)OC 34a_100000210340_100000211822 [0,0,0,0,0,2|0,0,0]=2 2361 B13R1.417 COC(COc1ccccc1)OC 7a_100000210340_100000751394 [0,0,0,0,0,2|0,0,0]=2 2362 B13R1.417 COC(COc1cccnc1)OC 34a_100000210849_100000211822 [0,0,0,0,0,2|1,0,0]=3 2363 B13R1.417 COC(COc1cccnc1)OC 7a_100000210849_100000751394 [0,0,0,0,0,2|1,0,0]=3 2364 B13R1.417 COC(COc1ccncc1)OC 34a_100000212176_100000211822 [0,0,0,0,0,2|1,0,0]=3 2365 B13R1.417 COC(COc1ccnnc1)OC 34a_100015204005_100000211822 [0,0,0,0,0,2|2,0,0]=4 2366 B13R1.417 COC(COc1cncnc1)OC 7a_100000754086_100000751394 [0,0,0,0,0,2|2,0,0]=4 2367 B13R1.417 COC(CSc1ccccc1)OC 62a_100000719477_100000751394 [0,0,0,0,0,2|0,0,0]=2 2368 B13R1.417 COC(CSc1ccccc1)OC 62a_100000751394_100000041952 [0,0,0,0,0,2|0,0,0]=2 2369 B13R1.417 COC(CSc1ccccn1)OC 62a_100000751394_100011216584 [0,0,0,0,0,2|1,0,0]=3 2370 B13R1.417 COC(CSc1ccccn1)OC 62a_100011216584_100000751394 [0,0,0,0,0,2|1,0,0]=3 2371 B13R1.417 COC(CSc1cccnc1)OC 62a_100000210063_100000751394 [0,0,0,0,0,2|1,0,0]=3 2372 B13R1.417 COC(CSc1cccnc1)OC 62a_100000751394_100000210063 [0,0,0,0,0,2|1,0,0]=3 2373 B13R1.417 COC(CSc1cccnn1)OC 62a_100000751394_100016991348 [0,0,0,0,0,2|2,0,0]=4 2374 B13R1.417 COC(CSc1cccnn1)OC 62a_100016991348_100000751394 [0,0,0,0,0,2|2,0,0]=4 2375 B13R1.417 COC(CSc1ccncc1)OC 62a_100000728582_100000751394 [0,0,0,0,0,2|1,0,0]=3 2376 B13R1.417 COC(CSc1ccncc1)OC 62a_100000751394_100000728582 [0,0,0,0,0,2|1,0,0]=3 2377 B13R1.417 COC(CSc1ccncn1)OC 62a_100000703185_100000751394 [0,0,0,0,0,2|2,0,0]=4 2378 B13R1.417 COC(CSc1ccncn1)OC 62a_100000751394_100000703185 [0,0,0,0,0,2|2,0,0]=4 2379 B13R1.417 COC(CSc1ccnnc1)OC 62a_100000732662_100000751394 [0,0,0,0,0,2|2,0,0]=4 2380 B13R1.417 COC(CSc1ccnnc1)OC 62a_100000751394_100000732662 [0,0,0,0,0,2|2,0,0]=4 2381 B13R1.417 COC(CSc1cnccn1)OC 62a_100000211759_100000751394 [0,0,0,0,0,2|2,0,0]=4 2382 B13R1.417 COC(CSc1cnccn1)OC 62a_100000751394_100000211759 [0,0,0,0,0,2|2,0,0]=4 2383 B13R1.417 COC(CSc1cncnc1)OC 62a_100000751394_100011206942 [0,0,0,0,0,2|2,0,0]=4 2384 B13R1.417 COC(CSc1cncnc1)OC 62a_100011206942_100000751394 [0,0,0,0,0,2|2,0,0]=4 2385 B13R1.417 COC(CSc1ncccn1)OC 62a_100000211032_100000751394 [0,0,0,0,0,2|2,0,0]=4 2386 B13R1.417 COC(CSc1ncccn1)OC 62a_100000751394_100000211032 [0,0,0,0,0,2|2,0,0]=4 2387 B13R1.417 [13CH3]OC(CN)COc1ccccc1 34a_100000738913_200025704644 [0,0,0,0,0,2|2,0,0]=4