0 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.15 CC(N[13CH3])c1ccncc1 2230a_100000181269_200025704644 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [0,0,0,0,0,0|1,0,3]=4 6 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.15 CNC(C)c1ccncc1 2230a_100000181269_200000210301 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.15 CNC(C)c1ccncc1 269862a_106832991636_100000185792 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [0,0,0,0,0,0|1,0,3]=4 41 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [1,0,0,0,0,0|1,0,2]=4 42 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [1,0,0,0,0,0|0,0,3]=4 43 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [1,0,0,0,0,0|0,0,3]=4 50 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [1,0,0,0,0,0|1,0,2]=4 51 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,0,0,0,0,0|1,0,2]=4 52 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [1,0,0,0,0,0|2,0,1]=4 91 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [1,0,0,0,0,0|2,0,1]=4 92 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [1,0,0,0,0,0|2,0,1]=4 93 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [1,0,0,0,0,0|2,0,1]=4 94 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [1,0,0,0,0,0|2,0,1]=4 95 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [1,0,0,0,0,0|3,0,0]=4 107 B11R1.7 CC(C)(N[13CH3])c1ccccc1 2230a_100011218174_200025704644 [0,1,0,0,0,0|3,0,0]=4 108 B11R1.7 CC(C)(O[13CH3])c1ccccc1 7a_100000694644_200025704644 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.7 CC(C)(S[13CH3])c1ccccc1 62a_100000034625_200025704644 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.7 CC(C)(S[13CH3])c1ccccc1 62a_200025704644_100000034625 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.7 CNC(C)(C)c1ccccc1 2230a_100011218174_200000210301 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.7 CNC(C)(C)c1ccccc1 2230a_106832991635_100000034625 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.7 CNC(F)(F)c1ccccc1 7a_106832991635_100000036403 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.7 COC(C)(C)c1ccccc1 7a_100000694644_200000210301 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.7 CSC(C)(C)c1ccccc1 62a_100000034625_200000210301 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.7 CSC(C)(C)c1ccccc1 62a_200000210301_100000034625 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.7 CSC(F)(F)c1ccccc1 62a_200000210301_100000036403 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.7 [13CH3]SC(F)(F)c1ccccc1 62a_200025704644_100000036403 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.12 C#CC(OC)c1ccccc1 34a_100011219616_200000210301 [0,1,0,0,0,0|1,0,0]=2 120 B11R1.12 C#CC(OC)c1ccccc1 7a_100011219616_200000210301 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.12 C#CC(O[13CH3])c1ccccc1 34a_100011219616_200025704644 [0,1,0,0,0,0|1,0,0]=2 122 B11R1.12 C#CC(O[13CH3])c1ccccc1 7a_100011219616_200025704644 [0,1,0,0,0,0|1,0,0]=2 123 B11R1.12 C=CC(NC)c1ccccc1 2230a_106832991635_200000085779 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.12 C=CC(OC)c1ccccc1 34a_100011215659_200000210301 [0,1,0,0,0,0|1,0,1]=3 125 B11R1.12 C=CC(OC)c1ccccc1 7a_100011215659_200000210301 [0,1,0,0,0,0|1,0,1]=3 126 B11R1.12 C=CC(O[13CH3])c1ccccc1 34a_100011215659_200025704644 [0,1,0,0,0,0|1,0,1]=3 127 B11R1.12 C=CC(O[13CH3])c1ccccc1 7a_100011215659_200025704644 [0,1,0,0,0,0|1,0,1]=3 128 B11R1.12 C=CC(SC)c1ccccc1 62a_200000085779_200000210301 [0,1,0,0,0,0|1,1,1]=4 129 B11R1.12 C=CC(SC)c1ccccc1 62a_200000210301_200000085779 [0,1,0,0,0,0|1,1,1]=4 130 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200000085779_200025704644 [0,1,0,0,0,0|1,1,1]=4 131 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200025704644_200000085779 [0,1,0,0,0,0|1,1,1]=4 132 B11R1.12 CCC(NC)c1ccccc1 2230a_100000737752_200000210301 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.12 CCC(NC)c1ccccc1 269862a_106832991636_100000210124 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.12 CCC(N[13CH3])c1ccccc1 2230a_100000737752_200025704644 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [0,1,0,0,0,0|1,0,1]=3 136 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [0,1,0,0,0,0|1,0,1]=3 138 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [0,1,0,0,0,0|1,0,1]=3 139 B11R1.12 CNC(CO)c1ccccn1 2230a_100015196888_200000210301 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.12 CN[C@H](CO)c1ccccc1 2230a_100000751927_200000210301 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.12 CN[C@H](CO)c1ccccc1 34a_100000751927_200000210301 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.12 CN[C@H](CO)c1ccncc1 2230a_100138412524_200000210301 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.12 COC(C#N)c1ccccc1 7a_100011217353_200000210301 [0,1,0,0,0,0|0,0,0]=1 144 B11R1.12 COC(CBr)c1ccccc1 7a_100000185958_200000210301 [0,1,0,0,0,0|1,0,1]=3 145 B11R1.12 COC(CN)c1ccccc1 34a_100000210709_200000210301 [0,1,0,0,0,0|0,0,2]=3 146 B11R1.12 CO[C@H](CCl)c1ccccc1 34a_100011933945_200000210301 [0,1,0,0,0,0|1,0,1]=3 147 B11R1.12 CO[C@H](CCl)c1ccccc1 7a_100011933945_200000210301 [0,1,0,0,0,0|1,0,1]=3 148 B11R1.12 [13CH3]NC(CO)c1ccccn1 2230a_100015196888_200025704644 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 2230a_100000751927_200025704644 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 34a_100000751927_200025704644 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.12 [13CH3]N[C@H](CO)c1ccncc1 2230a_100138412524_200025704644 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.12 [13CH3]OC(C#N)c1ccccc1 7a_100011217353_200025704644 [0,1,0,0,0,0|0,0,0]=1 153 B11R1.12 [13CH3]OC(CBr)c1ccccc1 7a_100000185958_200025704644 [0,1,0,0,0,0|1,0,1]=3 154 B11R1.12 [13CH3]OC(CN)c1ccccc1 34a_100000210709_200025704644 [0,1,0,0,0,0|0,0,2]=3 155 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 34a_100011933945_200025704644 [0,1,0,0,0,0|1,0,1]=3 156 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 7a_100011933945_200025704644 [0,1,0,0,0,0|1,0,1]=3 157 B11R1.16 C#CCC(=O)c1ccccc1 1458a_100000185807_100000184674 [0,1,0,0,0,0|1,0,2]=4 158 B11R1.16 C#CCN(C)c1ccccc1 2230a_100000210012_100000038162 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.16 C#CCN(C)c1ccccc1 34a_100000210012_100000184674 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [0,1,0,0,0,0|1,0,2]=4 161 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [0,1,0,0,0,0|1,0,2]=4 162 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.16 CC(SCF)c1ccccc1 62a_100000230085_100015361967 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.16 CC(SCF)c1ccccc1 62a_100015361967_100000230085 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.16 CN(CC#N)c1ccccc1 2230a_100000210012_100011215382 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.16 CN(CC#N)c1ccccc1 269982a_100000210012_100011214920 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [0,1,0,0,0,0|1,0,2]=4 179 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [0,1,0,0,0,0|1,0,2]=4 180 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [0,1,0,0,0,0|1,0,2]=4 181 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [0,1,0,0,0,0|1,0,2]=4 182 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [0,1,0,0,0,0|1,0,2]=4 183 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [0,1,0,0,0,0|1,0,2]=4 184 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [0,1,0,0,0,0|0,0,2]=3 185 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [0,1,0,0,0,0|0,0,2]=3 186 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [0,1,0,0,0,0|0,0,2]=3 187 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [0,1,0,0,0,0|0,0,2]=3 188 B11R1.16 CNCC(O)c1ccccn1 2230a_100000691469_200000210301 [0,1,0,0,0,0|1,0,2]=4 189 B11R1.16 CNCC(O)c1cccnc1 2230a_100020605170_200000210301 [0,1,0,0,0,0|1,0,2]=4 190 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [0,1,0,0,0,0|0,0,2]=3 191 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [0,1,0,0,0,0|0,0,2]=3 192 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [0,1,0,0,0,0|0,0,2]=3 193 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [0,1,0,0,0,0|1,0,1]=3 197 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [0,1,0,0,0,0|1,0,1]=3 199 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [0,1,0,0,0,0|1,0,1]=3 202 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [0,1,0,0,0,0|1,0,1]=3 203 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [0,1,0,0,0,0|1,0,1]=3 204 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [0,1,0,0,0,0|1,0,1]=3 205 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [0,1,0,0,0,0|0,0,2]=3 208 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [0,1,0,0,0,0|0,0,2]=3 209 B11R1.16 [13CH3]NCC(O)c1ccccn1 2230a_100000691469_200025704644 [0,1,0,0,0,0|1,0,2]=4 210 B11R1.16 [13CH3]NCC(O)c1cccnc1 2230a_100020605170_200025704644 [0,1,0,0,0,0|1,0,2]=4 211 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [0,1,0,0,0,0|1,0,1]=3 213 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [0,1,0,0,0,0|1,0,1]=3 214 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [0,1,0,0,0,0|1,0,1]=3 215 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [0,1,0,0,0,0|1,0,1]=3 216 B11R1.22 CC(C#N)c1ccc(cc1)O 271570a_203496583355_100000695319 [0,1,0,0,0,0|1,0,0]=2 217 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 34a_100000745893_200025704644 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 7a_100000745893_200025704644 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 34a_100000181323_200025704644 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 7a_100000181323_200025704644 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.22 CC(O[13CH3])c1ccc(cc1)N 34a_100011216399_200025704644 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_100000755118_200025704644 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_200025704644_100000755118 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_100000684792_200025704644 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_200025704644_100000684792 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_100000743420_200025704644 [0,1,0,0,0,0|3,0,0]=4 227 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_200025704644_100000743420 [0,1,0,0,0,0|3,0,0]=4 228 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [0,1,0,0,0,0|1,0,1]=3 230 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.22 CNC(C)c1ccc(cc1)Br 2230a_106832991635_100000755118 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.22 CNC(C)c1ccc(cc1)Br 269862a_106832991636_100000185794 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.22 CNC(C)c1ccc(cc1)Br 34a_100102657272_100000755118 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.22 CNC(C)c1ccc(cc1)C 2230a_106832991635_100011261388 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.22 CNC(C)c1ccc(cc1)C 269862a_106832991636_100000185793 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.22 CNC(C)c1ccc(cc1)C 34a_100102657272_100011261388 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.22 CNC(C)c1ccc(cc1)C 7a_106832991635_100011261388 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.22 CNC(C)c1ccc(cc1)Cl 2230a_106832991635_100000684792 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.22 CNC(C)c1ccc(cc1)Cl 269862a_106832991636_100000185797 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.22 CNC(C)c1ccc(cc1)Cl 7a_106832991635_100000684792 [0,1,0,0,0,0|3,0,0]=4 241 B11R1.22 CNC(C)c1ccc(cc1)F 2230a_106832991635_100000743420 [0,1,0,0,0,0|3,0,0]=4 242 B11R1.22 CNC(C)c1ccc(cc1)F 269862a_106832991636_100000185800 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.22 CNC(C)c1ccc(cc1)F 34a_100102657272_100000743420 [0,1,0,0,0,0|3,0,0]=4 244 B11R1.22 CNC(C)c1ccc(cc1)F 7a_106832991635_100000743420 [0,1,0,0,0,0|3,0,0]=4 245 B11R1.22 CNC(C)c1ccc(cc1)I 269862a_106832991636_100000185465 [0,1,0,0,0,0|3,0,0]=4 246 B11R1.22 CNC(C)c1ccc(cc1)O 271570a_203496583355_100000231103 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_200000210301 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 34a_100025705893_200000210301 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.22 CN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_200000210301 [0,1,0,0,0,0|3,0,0]=4 250 B11R1.22 CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000210301 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.22 CN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_200000210301 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.22 CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_200000210301 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.22 CN[C@H](C)c1ccc(cc1)C 34a_100016988085_200000210301 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_200000210301 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_200000210301 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100000745893_200000210301 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100138415774_100000755118 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.22 COC(C)c1ccc(cc1)Br 7a_100000745893_200000210301 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [0,1,0,0,0,0|3,0,0]=4 260 B11R1.22 COC(C)c1ccc(cc1)F 34a_100000181323_200000210301 [0,1,0,0,0,0|3,0,0]=4 261 B11R1.22 COC(C)c1ccc(cc1)F 34a_100138415774_100000743420 [0,1,0,0,0,0|3,0,0]=4 262 B11R1.22 COC(C)c1ccc(cc1)F 7a_100000181323_200000210301 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.22 COC(C)c1ccc(cc1)N 34a_100011216399_200000210301 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [0,1,0,0,0,0|3,0,0]=4 265 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200000210301 [0,1,0,0,0,0|3,0,0]=4 266 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_200000210301 [0,1,0,0,0,0|3,0,0]=4 267 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_100000755118_200000210301 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_200000210301_100000755118 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.22 CSC(C)c1ccc(cc1)C 62a_100011261388_200000210301 [0,1,0,0,0,0|3,0,0]=4 272 B11R1.22 CSC(C)c1ccc(cc1)C 62a_200000210301_100011261388 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_100000684792_200000210301 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_200000210301_100000684792 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.22 CSC(C)c1ccc(cc1)F 62a_100000743420_200000210301 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.22 CSC(C)c1ccc(cc1)F 62a_200000210301_100000743420 [0,1,0,0,0,0|3,0,0]=4 277 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Br 2230a_100000720352_200025704644 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015205461_200025704644 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 34a_100015205461_200025704644 [0,1,0,0,0,0|3,0,0]=4 280 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 2230a_100025705893_200025704644 [0,1,0,0,0,0|3,0,0]=4 281 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 34a_100025705893_200025704644 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)I 2230a_100000753911_200025704644 [0,1,0,0,0,0|3,0,0]=4 283 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)O 2230a_100161106496_200025704644 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 34a_100011852131_200025704644 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 7a_100011852131_200025704644 [0,1,0,0,0,0|3,0,0]=4 286 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_100011261388_200025704644 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_200025704644_100011261388 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100016988085_200025704644 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 34a_100016988085_200025704644 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [0,1,0,0,0,0|0,0,2]=3 293 B11R1.22 N#CC(N)c1ccc(cc1)O 271570a_203496583355_106722365845 [0,1,0,0,0,0|1,0,0]=2 294 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [0,1,0,0,0,0|2,0,1]=4 295 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [0,1,0,0,0,0|0,0,2]=3 296 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [0,1,0,0,0,0|1,0,1]=3 297 B11R1.22 [2H]C(OC)c1ccc(cc1)F 34a_217856618577_200000210301 [0,1,0,0,0,0|3,0,0]=4 298 B11R1.22 [2H]C(OC)c1ccc(cc1)F 7a_217856618577_200000210301 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 34a_217856618577_200025704644 [0,1,0,0,0,0|3,0,0]=4 300 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 7a_217856618577_200025704644 [0,1,0,0,0,0|3,0,0]=4 301 B11R1.23 CC(N[13CH3])c1cccc(c1)Br 2230a_100020642005_200025704644 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 2230a_100102723534_200025704644 [0,1,0,0,0,0|3,0,0]=4 303 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 34a_100102723534_200025704644 [0,1,0,0,0,0|3,0,0]=4 304 B11R1.23 CC(N[13CH3])c1cccc(c1)O 2230a_100000740644_200025704644 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 34a_100000246457_200025704644 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 7a_100000246457_200025704644 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.23 CC(O[13CH3])c1cccc(c1)F 34a_100000744526_200025704644 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.23 CC(O[13CH3])c1cccc(c1)F 7a_100000744526_200025704644 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.23 CC(O[13CH3])c1cccc(c1)I 34a_100013085317_200025704644 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.23 CC(O[13CH3])c1cccc(c1)I 7a_100013085317_200025704644 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.23 CC(O[13CH3])c1cccc(c1)N 34a_100011217120_200025704644 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.23 CC(O[13CH3])c1cccc(c1)N 7a_100011217120_200025704644 [0,1,0,0,0,0|3,0,0]=4 313 B11R1.23 CCC(O)c1cccc(c1)O 271570a_203496583355_200013212081 [0,1,0,0,0,0|1,0,1]=3 314 B11R1.23 CC[C@H](N)c1cccc(c1)O 271570a_203496583355_100102422761 [0,1,0,0,0,0|2,0,1]=4 315 B11R1.23 CNC(C)c1cccc(c1)Br 2230a_100020642005_200000210301 [0,1,0,0,0,0|3,0,0]=4 316 B11R1.23 CNC(C)c1cccc(c1)Br 269862a_106832991636_100000210093 [0,1,0,0,0,0|3,0,0]=4 317 B11R1.23 CNC(C)c1cccc(c1)C 269862a_106832991636_100000211476 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.23 CNC(C)c1cccc(c1)Cl 2230a_100102723534_200000210301 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.23 CNC(C)c1cccc(c1)Cl 269862a_106832991636_200000210964 [0,1,0,0,0,0|3,0,0]=4 320 B11R1.23 CNC(C)c1cccc(c1)Cl 34a_100102723534_200000210301 [0,1,0,0,0,0|3,0,0]=4 321 B11R1.23 CNC(C)c1cccc(c1)F 269862a_106832991636_100000187083 [0,1,0,0,0,0|3,0,0]=4 322 B11R1.23 CNC(C)c1cccc(c1)I 269862a_106832991636_100011356966 [0,1,0,0,0,0|3,0,0]=4 323 B11R1.23 CNC(C)c1cccc(c1)O 2230a_100000740644_200000210301 [0,1,0,0,0,0|3,0,0]=4 324 B11R1.23 CNC(C)c1cccc(c1)O 269862a_106832991636_100000211620 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.23 CNC(C)c1cccc(c1)O 271570a_203496583355_100025717457 [0,1,0,0,0,0|3,0,0]=4 326 B11R1.23 CN[C@H](C)c1cccc(c1)C 2230a_100000698126_200000210301 [0,1,0,0,0,0|3,0,0]=4 327 B11R1.23 CN[C@H](C)c1cccc(c1)C 34a_100000698126_200000210301 [0,1,0,0,0,0|3,0,0]=4 328 B11R1.23 CN[C@H](C)c1cccc(c1)F 2230a_100015193778_200000210301 [0,1,0,0,0,0|3,0,0]=4 329 B11R1.23 CN[C@H](C)c1cccc(c1)F 34a_100015193778_200000210301 [0,1,0,0,0,0|3,0,0]=4 330 B11R1.23 COC(C)c1cccc(c1)Br 34a_100000246457_200000210301 [0,1,0,0,0,0|3,0,0]=4 331 B11R1.23 COC(C)c1cccc(c1)Br 7a_100000246457_200000210301 [0,1,0,0,0,0|3,0,0]=4 332 B11R1.23 COC(C)c1cccc(c1)C 34a_100000757818_200000210301 [0,1,0,0,0,0|3,0,0]=4 333 B11R1.23 COC(C)c1cccc(c1)C 7a_100000757818_200000210301 [0,1,0,0,0,0|3,0,0]=4 334 B11R1.23 COC(C)c1cccc(c1)F 34a_100000744526_200000210301 [0,1,0,0,0,0|3,0,0]=4 335 B11R1.23 COC(C)c1cccc(c1)F 7a_100000744526_200000210301 [0,1,0,0,0,0|3,0,0]=4 336 B11R1.23 COC(C)c1cccc(c1)I 34a_100013085317_200000210301 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.23 COC(C)c1cccc(c1)I 7a_100013085317_200000210301 [0,1,0,0,0,0|3,0,0]=4 338 B11R1.23 COC(C)c1cccc(c1)N 34a_100011217120_200000210301 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.23 COC(C)c1cccc(c1)N 7a_100011217120_200000210301 [0,1,0,0,0,0|3,0,0]=4 340 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_200000210301 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_200000210301 [0,1,0,0,0,0|3,0,0]=4 342 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 2230a_100015193778_200025704644 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 34a_100015193778_200025704644 [0,1,0,0,0,0|3,0,0]=4 344 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 34a_100000747380_200025704644 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 7a_100000747380_200025704644 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 34a_100000757818_200025704644 [0,1,0,0,0,0|3,0,0]=4 347 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 7a_100000757818_200025704644 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 2230a_100000698126_200025704644 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 34a_100000698126_200025704644 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.23 N#CC(=O)c1cccc(c1)O 271570a_203496583355_100010169886 [0,1,0,0,0,0|0,0,2]=3 351 B11R1.23 NC(CO)c1cccc(c1)O 271570a_203496583355_100000690078 [0,1,0,0,0,0|2,0,1]=4 352 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,1,0,0,0,0|2,0,1]=4 353 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,1,0,0,0,0|2,0,1]=4 354 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,1,0,0,0,0|2,0,1]=4 355 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,1,0,0,0,0|1,0,1]=3 356 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100000195388_200000210301 [0,1,0,0,0,0|3,0,0]=4 357 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100102631434_100000230085 [0,1,0,0,0,0|3,0,0]=4 358 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100000195388_200000210301 [0,1,0,0,0,0|3,0,0]=4 359 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100102631434_100000230085 [0,1,0,0,0,0|3,0,0]=4 360 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 2230a_100000195388_200025704644 [0,1,0,0,0,0|3,0,0]=4 361 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 269982a_100000195388_200025704644 [0,1,0,0,0,0|3,0,0]=4 362 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,1,0,0,0,0|2,0,1]=4 363 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,1,0,0,0,0|2,0,1]=4 364 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,1,0,0,0,0|1,0,1]=3 365 B11R1.222 CC(C#N)c1ccccc1O 271570a_203496583355_200010232107 [0,1,0,0,0,0|1,0,0]=2 366 B11R1.222 CC(N[13CH3])c1ccccc1Br 2230a_100000181357_200025704644 [0,1,0,0,0,0|3,0,0]=4 367 B11R1.222 CC(N[13CH3])c1ccccc1Cl 2230a_100000174978_200025704644 [0,1,0,0,0,0|3,0,0]=4 368 B11R1.222 CC(N[13CH3])c1ccccc1Cl 34a_100000174978_200025704644 [0,1,0,0,0,0|3,0,0]=4 369 B11R1.222 CC(N[13CH3])c1ccccc1F 2230a_100000181408_200025704644 [0,1,0,0,0,0|3,0,0]=4 370 B11R1.222 CC(N[13CH3])c1ccccc1F 34a_100000181408_200025704644 [0,1,0,0,0,0|3,0,0]=4 371 B11R1.222 CC(O[13CH3])c1ccccc1Br 34a_100000702211_200025704644 [0,1,0,0,0,0|3,0,0]=4 372 B11R1.222 CC(O[13CH3])c1ccccc1Br 7a_100000702211_200025704644 [0,1,0,0,0,0|3,0,0]=4 373 B11R1.222 CC(O[13CH3])c1ccccc1Cl 34a_100000740796_200025704644 [0,1,0,0,0,0|3,0,0]=4 374 B11R1.222 CC(O[13CH3])c1ccccc1Cl 7a_100000740796_200025704644 [0,1,0,0,0,0|3,0,0]=4 375 B11R1.222 CC(O[13CH3])c1ccccc1F 34a_100000697922_200025704644 [0,1,0,0,0,0|3,0,0]=4 376 B11R1.222 CC(O[13CH3])c1ccccc1F 7a_100000697922_200025704644 [0,1,0,0,0,0|3,0,0]=4 377 B11R1.222 CC(O[13CH3])c1ccccc1N 7a_100011405641_200025704644 [0,1,0,0,0,0|3,0,0]=4 378 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_100000181259_200025704644 [0,1,0,0,0,0|3,0,0]=4 379 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_200025704644_100000181259 [0,1,0,0,0,0|3,0,0]=4 380 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200000741388_200025704644 [0,1,0,0,0,0|3,0,0]=4 381 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200025704644_200000741388 [0,1,0,0,0,0|3,0,0]=4 382 B11R1.222 CNC(C)c1ccccc1Br 2230a_100000181357_200000210301 [0,1,0,0,0,0|3,0,0]=4 383 B11R1.222 CNC(C)c1ccccc1Br 269862a_106832991636_100000187085 [0,1,0,0,0,0|3,0,0]=4 384 B11R1.222 CNC(C)c1ccccc1C 2230a_100000181355_200000210301 [0,1,0,0,0,0|3,0,0]=4 385 B11R1.222 CNC(C)c1ccccc1C 269862a_106832991636_100000211656 [0,1,0,0,0,0|3,0,0]=4 386 B11R1.222 CNC(C)c1ccccc1C 34a_100000181355_200000210301 [0,1,0,0,0,0|3,0,0]=4 387 B11R1.222 CNC(C)c1ccccc1Cl 2230a_100000174978_200000210301 [0,1,0,0,0,0|3,0,0]=4 388 B11R1.222 CNC(C)c1ccccc1Cl 2230a_106832991635_100000181259 [0,1,0,0,0,0|3,0,0]=4 389 B11R1.222 CNC(C)c1ccccc1Cl 269862a_106832991636_100000210134 [0,1,0,0,0,0|3,0,0]=4 390 B11R1.222 CNC(C)c1ccccc1Cl 34a_100000174978_200000210301 [0,1,0,0,0,0|3,0,0]=4 391 B11R1.222 CNC(C)c1ccccc1Cl 7a_106832991635_100000181259 [0,1,0,0,0,0|3,0,0]=4 392 B11R1.222 CNC(C)c1ccccc1F 2230a_100000181408_200000210301 [0,1,0,0,0,0|3,0,0]=4 393 B11R1.222 CNC(C)c1ccccc1F 2230a_106832991635_200000741388 [0,1,0,0,0,0|3,0,0]=4 394 B11R1.222 CNC(C)c1ccccc1F 269862a_106832991636_100000210632 [0,1,0,0,0,0|3,0,0]=4 395 B11R1.222 CNC(C)c1ccccc1F 34a_100000181408_200000210301 [0,1,0,0,0,0|3,0,0]=4 396 B11R1.222 CNC(C)c1ccccc1F 34a_100102657272_200000741388 [0,1,0,0,0,0|3,0,0]=4 397 B11R1.222 CNC(C)c1ccccc1F 7a_106832991635_200000741388 [0,1,0,0,0,0|3,0,0]=4 398 B11R1.222 CNC(C)c1ccccc1I 269862a_106832991636_100000751169 [0,1,0,0,0,0|3,0,0]=4 399 B11R1.222 CNC(C)c1ccccc1O 271570a_203496583355_100000692418 [0,1,0,0,0,0|3,0,0]=4 400 B11R1.222 CN[C@H](C)c1ccccc1O 2230a_100025703389_200000210301 [0,1,0,0,0,0|3,0,0]=4 401 B11R1.222 COC(C)c1ccccc1Br 34a_100000702211_200000210301 [0,1,0,0,0,0|3,0,0]=4 402 B11R1.222 COC(C)c1ccccc1Br 7a_100000702211_200000210301 [0,1,0,0,0,0|3,0,0]=4 403 B11R1.222 COC(C)c1ccccc1C 34a_100000742021_200000210301 [0,1,0,0,0,0|3,0,0]=4 404 B11R1.222 COC(C)c1ccccc1C 7a_100000742021_200000210301 [0,1,0,0,0,0|3,0,0]=4 405 B11R1.222 COC(C)c1ccccc1Cl 34a_100000740796_200000210301 [0,1,0,0,0,0|3,0,0]=4 406 B11R1.222 COC(C)c1ccccc1Cl 7a_100000740796_200000210301 [0,1,0,0,0,0|3,0,0]=4 407 B11R1.222 COC(C)c1ccccc1F 34a_100000697922_200000210301 [0,1,0,0,0,0|3,0,0]=4 408 B11R1.222 COC(C)c1ccccc1F 34a_100138415774_200000741388 [0,1,0,0,0,0|3,0,0]=4 409 B11R1.222 COC(C)c1ccccc1F 7a_100000697922_200000210301 [0,1,0,0,0,0|3,0,0]=4 410 B11R1.222 COC(C)c1ccccc1N 7a_100011405641_200000210301 [0,1,0,0,0,0|3,0,0]=4 411 B11R1.222 CSC(C)c1ccccc1Cl 62a_100000181259_200000210301 [0,1,0,0,0,0|3,0,0]=4 412 B11R1.222 CSC(C)c1ccccc1Cl 62a_200000210301_100000181259 [0,1,0,0,0,0|3,0,0]=4 413 B11R1.222 CSC(C)c1ccccc1F 62a_200000210301_200000741388 [0,1,0,0,0,0|3,0,0]=4 414 B11R1.222 CSC(C)c1ccccc1F 62a_200000741388_200000210301 [0,1,0,0,0,0|3,0,0]=4 415 B11R1.222 C[C@@H](N[13CH3])c1ccccc1O 2230a_100025703389_200025704644 [0,1,0,0,0,0|3,0,0]=4 416 B11R1.222 Cc1ccccc1C(C)N[13CH3] 2230a_100000181355_200025704644 [0,1,0,0,0,0|3,0,0]=4 417 B11R1.222 Cc1ccccc1C(C)N[13CH3] 34a_100000181355_200025704644 [0,1,0,0,0,0|3,0,0]=4 418 B11R1.222 Cc1ccccc1C(C)O[13CH3] 34a_100000742021_200025704644 [0,1,0,0,0,0|3,0,0]=4 419 B11R1.222 Cc1ccccc1C(C)O[13CH3] 7a_100000742021_200025704644 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.222 NCC(O)c1ccccc1O 271570a_203496583355_100011236429 [0,1,0,0,0,0|0,0,2]=3 421 B11R1.222 N[C@H](CO)c1ccccc1O 271570a_203496583355_100161155918 [0,1,0,0,0,0|2,0,1]=4 422 B9R0.8 C#CC(C)C(=O)C=CC=C 1458a_100016291481_200000035995 [0,0,1,0,0,0|3,0,0]=4 423 B9R0.8 C=CC=CC(=O)C(C)C#N 1458a_100016291481_100000703298 [0,0,1,0,0,0|2,0,0]=3 424 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [0,0,0,1,0,0|1,0,2]=4 425 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [0,0,0,1,0,0|1,0,2]=4 426 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [0,0,0,1,0,0|1,0,2]=4 427 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [0,0,0,1,0,0|3,0,0]=4 428 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [0,0,0,1,0,0|3,0,0]=4 429 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [0,0,0,1,0,0|3,0,0]=4 430 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [0,0,0,1,0,0|3,0,0]=4 431 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [0,0,0,1,0,0|3,0,0]=4 432 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [0,0,0,0,0,1|1,0,2]=4 433 B11R1.40 C#CC(C)Nc1ccccc1 34a_100000106764_200000035995 [0,0,0,0,0,1|2,0,0]=3 434 B11R1.40 C#CC(C)Oc1ccccc1 34a_100000210340_200000035995 [0,0,0,0,0,1|2,0,0]=3 435 B11R1.40 C#CC(C)Oc1cccnc1 34a_100000210849_200000035995 [0,0,0,0,0,1|3,0,0]=4 436 B11R1.40 C#CC(C)Oc1ccncc1 34a_100000212176_200000035995 [0,0,0,0,0,1|3,0,0]=4 437 B11R1.40 C#CC(C)Sc1ccccc1 62a_200000035995_100000041952 [0,0,0,0,0,1|2,0,0]=3 438 B11R1.40 C#CC(C)Sc1ccccn1 62a_200000035995_100011216584 [0,0,0,0,0,1|3,0,0]=4 439 B11R1.40 C#CC(C)Sc1cccnc1 62a_200000035995_100000210063 [0,0,0,0,0,1|3,0,0]=4 440 B11R1.40 C#CC(C)Sc1ccncc1 62a_200000035995_100000728582 [0,0,0,0,0,1|3,0,0]=4 441 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [0,0,0,0,0,1|2,0,1]=4 442 B11R1.40 CC(C#N)Oc1ccccc1 7a_100000210340_100000703298 [0,0,0,0,0,1|1,0,0]=2 443 B11R1.40 CC(C#N)Oc1cccnc1 7a_100000210849_100000703298 [0,0,0,0,0,1|2,0,0]=3 444 B11R1.40 CC(C#N)Oc1cncnc1 7a_100000754086_100000703298 [0,0,0,0,0,1|3,0,0]=4 445 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000703298_100000041952 [0,0,0,0,0,1|1,0,0]=2 446 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000719477_100000703298 [0,0,0,0,0,1|1,0,0]=2 447 B11R1.40 CC(C#N)Sc1ccccn1 62a_100000703298_100011216584 [0,0,0,0,0,1|2,0,0]=3 448 B11R1.40 CC(C#N)Sc1ccccn1 62a_100011216584_100000703298 [0,0,0,0,0,1|2,0,0]=3 449 B11R1.40 CC(C#N)Sc1cccnc1 62a_100000210063_100000703298 [0,0,0,0,0,1|2,0,0]=3 450 B11R1.40 CC(C#N)Sc1cccnc1 62a_100000703298_100000210063 [0,0,0,0,0,1|2,0,0]=3 451 B11R1.40 CC(C#N)Sc1cccnn1 62a_100000703298_100016991348 [0,0,0,0,0,1|3,0,0]=4 452 B11R1.40 CC(C#N)Sc1cccnn1 62a_100016991348_100000703298 [0,0,0,0,0,1|3,0,0]=4 453 B11R1.40 CC(C#N)Sc1ccncc1 62a_100000703298_100000728582 [0,0,0,0,0,1|2,0,0]=3 454 B11R1.40 CC(C#N)Sc1ccncc1 62a_100000728582_100000703298 [0,0,0,0,0,1|2,0,0]=3 455 B11R1.40 CC(C#N)Sc1ccncn1 62a_100000703185_100000703298 [0,0,0,0,0,1|3,0,0]=4 456 B11R1.40 CC(C#N)Sc1ccncn1 62a_100000703298_100000703185 [0,0,0,0,0,1|3,0,0]=4 457 B11R1.40 CC(C#N)Sc1ccnnc1 62a_100000703298_100000732662 [0,0,0,0,0,1|3,0,0]=4 458 B11R1.40 CC(C#N)Sc1ccnnc1 62a_100000732662_100000703298 [0,0,0,0,0,1|3,0,0]=4 459 B11R1.40 CC(C#N)Sc1cnccn1 62a_100000211759_100000703298 [0,0,0,0,0,1|3,0,0]=4 460 B11R1.40 CC(C#N)Sc1cnccn1 62a_100000703298_100000211759 [0,0,0,0,0,1|3,0,0]=4 461 B11R1.40 CC(C#N)Sc1cncnc1 62a_100000703298_100011206942 [0,0,0,0,0,1|3,0,0]=4 462 B11R1.40 CC(C#N)Sc1cncnc1 62a_100011206942_100000703298 [0,0,0,0,0,1|3,0,0]=4 463 B11R1.40 CC(C#N)Sc1ncccn1 62a_100000211032_100000703298 [0,0,0,0,0,1|3,0,0]=4 464 B11R1.40 CC(C#N)Sc1ncccn1 62a_100000703298_100000211032 [0,0,0,0,0,1|3,0,0]=4 465 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [0,0,0,0,0,1|2,0,1]=4 466 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [0,0,0,0,0,1|2,0,1]=4 467 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [0,0,0,0,0,1|2,0,1]=4 468 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [0,0,0,0,0,1|2,0,1]=4 469 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,0,0,0,0,1|3,0,0]=4 470 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,0,0,0,0,1|3,0,0]=4 471 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [0,0,0,0,0,1|3,0,0]=4 472 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [0,0,0,0,0,1|3,0,0]=4 473 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [0,0,0,0,0,1|2,0,1]=4 474 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [0,0,0,0,0,1|2,0,1]=4 475 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [0,0,0,0,0,1|2,0,1]=4 476 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [0,0,0,0,0,1|2,0,1]=4 477 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [0,0,0,0,0,1|2,0,1]=4 478 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [0,0,0,0,0,1|3,0,0]=4 479 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [0,0,0,0,0,1|3,0,0]=4 480 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,0,0,0,0,1|3,0,0]=4 481 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,0,0,0,0,1|3,0,0]=4 482 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,0,0,0,0,1|3,0,0]=4 483 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [0,0,0,0,0,1|3,0,0]=4 484 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [0,0,0,0,0,1|3,0,0]=4 485 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [0,0,0,0,0,1|3,0,0]=4 486 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [0,0,0,0,0,1|3,0,0]=4 487 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [0,0,0,0,0,1|2,0,1]=4 488 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [0,0,0,0,0,1|2,0,1]=4 489 B11R1.40 N#CC(F)Sc1ccccc1 62a_100000719477_200000117898 [0,0,0,0,0,1|1,0,0]=2 490 B11R1.40 N#CC(F)Sc1ccccc1 62a_200000117898_100000041952 [0,0,0,0,0,1|1,0,0]=2 491 B11R1.40 N#CC(F)Sc1ccccn1 62a_100011216584_200000117898 [0,0,0,0,0,1|2,0,0]=3 492 B11R1.40 N#CC(F)Sc1ccccn1 62a_200000117898_100011216584 [0,0,0,0,0,1|2,0,0]=3 493 B11R1.40 N#CC(F)Sc1cccnc1 62a_100000210063_200000117898 [0,0,0,0,0,1|2,0,0]=3 494 B11R1.40 N#CC(F)Sc1cccnc1 62a_200000117898_100000210063 [0,0,0,0,0,1|2,0,0]=3 495 B11R1.40 N#CC(F)Sc1cccnn1 62a_100016991348_200000117898 [0,0,0,0,0,1|3,0,0]=4 496 B11R1.40 N#CC(F)Sc1cccnn1 62a_200000117898_100016991348 [0,0,0,0,0,1|3,0,0]=4 497 B11R1.40 N#CC(F)Sc1ccncc1 62a_100000728582_200000117898 [0,0,0,0,0,1|2,0,0]=3 498 B11R1.40 N#CC(F)Sc1ccncc1 62a_200000117898_100000728582 [0,0,0,0,0,1|2,0,0]=3 499 B11R1.40 N#CC(F)Sc1ccncn1 62a_100000703185_200000117898 [0,0,0,0,0,1|3,0,0]=4 500 B11R1.40 N#CC(F)Sc1ccncn1 62a_200000117898_100000703185 [0,0,0,0,0,1|3,0,0]=4 501 B11R1.40 N#CC(F)Sc1ccnnc1 62a_100000732662_200000117898 [0,0,0,0,0,1|3,0,0]=4 502 B11R1.40 N#CC(F)Sc1ccnnc1 62a_200000117898_100000732662 [0,0,0,0,0,1|3,0,0]=4 503 B11R1.40 N#CC(F)Sc1cnccn1 62a_100000211759_200000117898 [0,0,0,0,0,1|3,0,0]=4 504 B11R1.40 N#CC(F)Sc1cnccn1 62a_200000117898_100000211759 [0,0,0,0,0,1|3,0,0]=4 505 B11R1.40 N#CC(F)Sc1cncnc1 62a_100011206942_200000117898 [0,0,0,0,0,1|3,0,0]=4 506 B11R1.40 N#CC(F)Sc1cncnc1 62a_200000117898_100011206942 [0,0,0,0,0,1|3,0,0]=4 507 B11R1.40 N#CC(F)Sc1ncccn1 62a_100000211032_200000117898 [0,0,0,0,0,1|3,0,0]=4 508 B11R1.40 N#CC(F)Sc1ncccn1 62a_200000117898_100000211032 [0,0,0,0,0,1|3,0,0]=4 509 B8R0.1 C#CCC(=O)C=CC=C 1458a_100016291481_100000184674 [1,0,1,0,0,0|2,0,0]=4 510 B8R0.1 C=CC=CC(=O)CC#N 1458a_100016291481_100011214920 [1,0,1,0,0,0|1,0,0]=3 511 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|0,0,2]=4 512 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|1,0,1]=4 513 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|1,0,1]=4 514 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|1,0,1]=4 515 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|1,0,1]=4 516 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|1,0,1]=4 517 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|1,0,1]=4 518 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|1,0,1]=4 519 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|1,0,1]=4 520 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|1,0,1]=4 521 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|1,0,1]=4 522 B10R0.19 C=CC=CC(=O)C(C)CC#N 1458a_100016291481_100009813641 [0,1,1,0,0,0|2,0,0]=4 523 B10R0.83 C/C=C/C=CC(=O)C(C)C#N 1458a_100000185730_100000703298 [0,1,1,0,0,0|2,0,0]=4 524 B10R0.18 C=CC=CC(=O)NC(C)C#N 1626a_100000737613_100016291481 [0,1,1,0,0,0|2,0,0]=4 525 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [1,1,0,0,0,0|1,0,1]=4 526 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [1,1,0,0,0,0|0,0,1]=3 527 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [1,1,0,0,0,0|1,0,1]=4 528 B10R1.13 CC(O)c1ccc(nc1)O 271570a_203496583355_200010274204 [1,1,0,0,0,0|1,0,1]=4 529 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [1,1,0,0,0,0|1,0,1]=4 530 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [1,1,0,0,0,0|1,0,1]=4 531 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.13 Oc1ccc(cc1)C(F)F 271570a_203496583355_100010189923 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [1,1,0,0,0,0|1,0,1]=4 534 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [1,1,0,0,0,0|1,0,1]=4 535 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [1,1,0,0,0,0|0,0,1]=3 536 B10R1.61 CC(O)c1cccnc1O 271570a_203496583355_100009865335 [1,1,0,0,0,0|1,0,1]=4 537 B10R1.61 C[C@H](O)c1ncccc1O 271570a_203496583355_100013325542 [1,1,0,0,0,0|1,0,1]=4 538 B10R1.61 OB(O)c1ccccc1O 271570a_203496583355_100000693059 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.61 Oc1ccccc1C(F)F 271570a_203496583355_100010169824 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.113 CC(C)c1cccc(c1)O 271570a_203496583355_100011214899 [1,1,0,0,0,0|1,0,1]=4 541 B10R1.113 CC(N)c1cccc(c1)O 271570a_203496583355_100020642005 [1,1,0,0,0,0|1,0,1]=4 542 B10R1.113 CC(O)c1cc(ccn1)O 271570a_203496583355_100000144657 [1,1,0,0,0,0|1,0,1]=4 543 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [1,1,0,0,0,0|0,0,1]=3 544 B10R1.113 CC(O)c1cccc(n1)O 271570a_203496583355_100009820884 [1,1,0,0,0,0|1,0,1]=4 545 B10R1.113 CC(O)c1cncc(c1)O 271570a_203496583355_100012351597 [1,1,0,0,0,0|1,0,1]=4 546 B10R1.113 OB(O)c1cccc(c1)O 271570a_203496583355_100000687717 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.113 Oc1cccc(c1)C(F)F 271570a_203496583355_100009892619 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [1,1,0,0,0,0|1,0,1]=4 549 B10R1.1 CNCc1ccc(cc1)Br 207a_100102657272_100000186029 [1,1,0,0,0,0|2,0,0]=4 550 B10R1.1 CNCc1ccc(cc1)Br 2230a_100000174875_200000210301 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.1 CNCc1ccc(cc1)Br 2230a_106832991635_100011217064 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.1 CNCc1ccc(cc1)Br 26a_100102657272_100000185759 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.1 CNCc1ccc(cc1)Br 270004a_106832991635_100000186029 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.1 CNCc1ccc(cc1)Br 34a_100000174875_200000210301 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.1 CNCc1ccc(cc1)Br 34a_100102657272_100000189115 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.1 CNCc1ccc(cc1)Br 7a_106832991635_100011217064 [1,1,0,0,0,0|2,0,0]=4 557 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [1,1,0,0,0,0|2,0,0]=4 559 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.1 CNCc1ccc(cc1)Cl 207a_100102657272_100000189385 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.1 CNCc1ccc(cc1)Cl 2230a_100000174871_200000210301 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.1 CNCc1ccc(cc1)Cl 2230a_106832991635_100000694040 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.1 CNCc1ccc(cc1)Cl 270004a_106832991635_100000189385 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.1 CNCc1ccc(cc1)Cl 34a_100000174871_200000210301 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.1 CNCc1ccc(cc1)Cl 34a_100102657272_100000694040 [1,1,0,0,0,0|2,0,0]=4 571 B10R1.1 CNCc1ccc(cc1)Cl 7a_106832991635_100000187161 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.1 CNCc1ccc(cc1)F 207a_100102657272_100000210084 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.1 CNCc1ccc(cc1)F 2230a_100000174882_200000210301 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.1 CNCc1ccc(cc1)F 2230a_106832991635_100000198546 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.1 CNCc1ccc(cc1)F 270004a_106832991635_100000210084 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.1 CNCc1ccc(cc1)F 34a_100000174882_200000210301 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.1 CNCc1ccc(cc1)F 34a_100102657272_100000198546 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.1 CNCc1ccc(cc1)F 7a_106832991635_100000198546 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.1 CNCc1ccc(cc1)I 207a_100102657272_100000188517 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.1 CNCc1ccc(cc1)I 2230a_100016989417_200000210301 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.1 CNCc1ccc(cc1)I 2230a_106832991635_100000189116 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.1 CNCc1ccc(cc1)I 34a_100016989417_200000210301 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.1 CNCc1ccc(cc1)I 34a_100102657272_100000189116 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.1 CNCc1ccc(cc1)I 7a_106832991635_100000189116 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [1,1,0,0,0,0|2,0,0]=4 594 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.1 CSCc1ccc(cc1)Br 62a_100000189115_200000210301 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.1 CSCc1ccc(cc1)Br 62a_200000210301_100000189115 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.1 CSCc1ccc(cc1)Cl 62a_100000187161_200000210301 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.1 CSCc1ccc(cc1)Cl 62a_200000210301_100000187161 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.1 CSCc1ccc(cc1)F 62a_100000198546_200000210301 [1,1,0,0,0,0|2,0,0]=4 610 B10R1.1 CSCc1ccc(cc1)F 62a_200000210301_100000187164 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.1 CSCc1ccc(cc1)I 62a_100000189116_200000210301 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.1 CSCc1ccc(cc1)I 62a_200000210301_100000189116 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [1,1,0,0,0,0|2,0,0]=4 617 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [1,1,0,0,0,0|2,0,0]=4 618 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.1 N#CCc1ccc(cc1)O 271570a_203496583355_100011217881 [1,1,0,0,0,0|0,0,0]=2 620 B10R1.1 N#CCc1ccc(cn1)O 271570a_203496583355_100011824422 [1,1,0,0,0,0|1,0,0]=3 621 B10R1.1 N#CCc1ccc(nc1)O 271570a_203496583355_100000703598 [1,1,0,0,0,0|1,0,0]=3 622 B10R1.1 N#CNc1ccc(cc1)O 271570a_203496583355_100011685341 [1,1,0,0,0,0|1,0,0]=3 623 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [1,1,0,0,0,0|0,0,2]=4 624 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [1,1,0,0,0,0|1,0,1]=4 625 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [1,1,0,0,0,0|1,0,1]=4 626 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [1,1,0,0,0,0|1,0,1]=4 627 B10R1.1 [13CH3]NCc1ccc(cc1)Br 2230a_100000174875_200025704644 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.1 [13CH3]NCc1ccc(cc1)Br 34a_100000174875_200025704644 [1,1,0,0,0,0|2,0,0]=4 629 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 2230a_100000174871_200025704644 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 34a_100000174871_200025704644 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.1 [13CH3]NCc1ccc(cc1)F 2230a_100000174882_200025704644 [1,1,0,0,0,0|2,0,0]=4 632 B10R1.1 [13CH3]NCc1ccc(cc1)F 34a_100000174882_200025704644 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.1 [13CH3]NCc1ccc(cc1)I 2230a_100016989417_200025704644 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.1 [13CH3]NCc1ccc(cc1)I 34a_100016989417_200025704644 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_100000189115_200025704644 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_200025704644_100000189115 [1,1,0,0,0,0|2,0,0]=4 646 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_100000187161_200025704644 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_200025704644_100000187161 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_100000198546_200025704644 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_200025704644_100000187164 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_100000189116_200025704644 [1,1,0,0,0,0|2,0,0]=4 651 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_200025704644_100000189116 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,1,0,0,0,0|1,0,1]=4 653 B10R1.4 CNCc1ccccc1Br 207a_100102657272_100000211189 [1,1,0,0,0,0|2,0,0]=4 654 B10R1.4 CNCc1ccccc1Br 2230a_100000689332_200000210301 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.4 CNCc1ccccc1Br 2230a_106832991635_100000184730 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.4 CNCc1ccccc1Br 26a_100102657272_100000181306 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.4 CNCc1ccccc1Br 270004a_106832991635_100000211189 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.4 CNCc1ccccc1Br 34a_100000689332_200000210301 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.4 CNCc1ccccc1Br 34a_100102657272_100000184730 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.4 CNCc1ccccc1Br 7a_106832991635_100000184730 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,1,0,0,0,0|2,0,0]=4 663 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,1,0,0,0,0|2,0,0]=4 667 B10R1.4 CNCc1ccccc1Cl 207a_100102657272_100000210073 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.4 CNCc1ccccc1Cl 2230a_100000174879_200000210301 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.4 CNCc1ccccc1Cl 2230a_106832991635_100000187162 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.4 CNCc1ccccc1Cl 26a_100102657272_100000210172 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.4 CNCc1ccccc1Cl 270004a_106832991635_100000210073 [1,1,0,0,0,0|2,0,0]=4 672 B10R1.4 CNCc1ccccc1Cl 34a_100000174879_200000210301 [1,1,0,0,0,0|2,0,0]=4 673 B10R1.4 CNCc1ccccc1Cl 34a_100102657272_100000187162 [1,1,0,0,0,0|2,0,0]=4 674 B10R1.4 CNCc1ccccc1Cl 7a_106832991635_100000187162 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.4 CNCc1ccccc1F 207a_100102657272_100000210811 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.4 CNCc1ccccc1F 2230a_106832991635_100000211605 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.4 CNCc1ccccc1F 270004a_106832991635_100000210811 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.4 CNCc1ccccc1F 34a_100000174869_200000210301 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.4 CNCc1ccccc1F 34a_100102657272_100000211605 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.4 CNCc1ccccc1F 7a_106832991635_100000211605 [1,1,0,0,0,0|2,0,0]=4 681 B10R1.4 CNCc1ccccc1I 207a_100102657272_100000010305 [1,1,0,0,0,0|2,0,0]=4 682 B10R1.4 CNCc1ccccc1I 2230a_106832991635_100011215278 [1,1,0,0,0,0|2,0,0]=4 683 B10R1.4 CNCc1ccccc1I 270004a_106832991635_100000010305 [1,1,0,0,0,0|2,0,0]=4 684 B10R1.4 CNCc1ccccc1I 34a_100102657272_100011215278 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.4 CNCc1ccccc1I 7a_106832991635_100011215278 [1,1,0,0,0,0|2,0,0]=4 686 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [1,1,0,0,0,0|2,0,0]=4 687 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [1,1,0,0,0,0|2,0,0]=4 688 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [1,1,0,0,0,0|2,0,0]=4 690 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [1,1,0,0,0,0|2,0,0]=4 691 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,1,0,0,0,0|2,0,0]=4 692 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,1,0,0,0,0|2,0,0]=4 693 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,1,0,0,0,0|2,0,0]=4 694 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [1,1,0,0,0,0|2,0,0]=4 695 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [1,1,0,0,0,0|2,0,0]=4 696 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [1,1,0,0,0,0|2,0,0]=4 697 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [1,1,0,0,0,0|2,0,0]=4 698 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [1,1,0,0,0,0|2,0,0]=4 699 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [1,1,0,0,0,0|2,0,0]=4 702 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [1,1,0,0,0,0|2,0,0]=4 704 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [1,1,0,0,0,0|2,0,0]=4 705 B10R1.4 CSCc1ccccc1Br 62a_100000184730_200000210301 [1,1,0,0,0,0|2,0,0]=4 706 B10R1.4 CSCc1ccccc1Br 62a_200000210301_100000184730 [1,1,0,0,0,0|2,0,0]=4 707 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [1,1,0,0,0,0|2,0,0]=4 708 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [1,1,0,0,0,0|2,0,0]=4 709 B10R1.4 CSCc1ccccc1Cl 62a_100000187162_200000210301 [1,1,0,0,0,0|2,0,0]=4 710 B10R1.4 CSCc1ccccc1Cl 62a_200000210301_100000187162 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.4 CSCc1ccccc1F 62a_100000211605_200000210301 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.4 CSCc1ccccc1F 62a_200000210301_100000211605 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.4 CSCc1ccccc1I 62a_100011216222_200000210301 [1,1,0,0,0,0|2,0,0]=4 714 B10R1.4 CSCc1ccccc1I 62a_200000210301_100011216222 [1,1,0,0,0,0|2,0,0]=4 715 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [1,1,0,0,0,0|2,0,0]=4 716 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,1,0,0,0,0|2,0,0]=4 717 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,1,0,0,0,0|2,0,0]=4 718 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,1,0,0,0,0|2,0,0]=4 719 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [1,1,0,0,0,0|2,0,0]=4 720 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [1,1,0,0,0,0|2,0,0]=4 721 B10R1.4 N#CCc1ccccc1O 271570a_203496583355_100000033512 [1,1,0,0,0,0|0,0,0]=2 722 B10R1.4 N#CCc1cccnc1O 271570a_203496583355_100000096391 [1,1,0,0,0,0|1,0,0]=3 723 B10R1.4 N#CCc1ncccc1O 271570a_203496583355_100011824415 [1,1,0,0,0,0|1,0,0]=3 724 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [1,1,0,0,0,0|0,0,2]=4 725 B10R1.4 NNCc1ccccc1O 271570a_203496583355_200016993956 [1,1,0,0,0,0|1,0,1]=4 726 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [1,1,0,0,0,0|1,0,1]=4 727 B10R1.4 [13CH3]NCc1ccccc1Br 2230a_100000689332_200025704644 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.4 [13CH3]NCc1ccccc1Br 34a_100000689332_200025704644 [1,1,0,0,0,0|2,0,0]=4 729 B10R1.4 [13CH3]NCc1ccccc1Cl 2230a_100000174879_200025704644 [1,1,0,0,0,0|2,0,0]=4 730 B10R1.4 [13CH3]NCc1ccccc1Cl 34a_100000174879_200025704644 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.4 [13CH3]NCc1ccccc1F 34a_100000174869_200025704644 [1,1,0,0,0,0|2,0,0]=4 732 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [1,1,0,0,0,0|2,0,0]=4 735 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [1,1,0,0,0,0|2,0,0]=4 736 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [1,1,0,0,0,0|2,0,0]=4 737 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [1,1,0,0,0,0|2,0,0]=4 738 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [1,1,0,0,0,0|2,0,0]=4 740 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [1,1,0,0,0,0|2,0,0]=4 741 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [1,1,0,0,0,0|2,0,0]=4 742 B10R1.4 [13CH3]SCc1ccccc1Br 62a_100000184730_200025704644 [1,1,0,0,0,0|2,0,0]=4 743 B10R1.4 [13CH3]SCc1ccccc1Br 62a_200025704644_100000184730 [1,1,0,0,0,0|2,0,0]=4 744 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_100000187162_200025704644 [1,1,0,0,0,0|2,0,0]=4 745 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_200025704644_100000187162 [1,1,0,0,0,0|2,0,0]=4 746 B10R1.4 [13CH3]SCc1ccccc1F 62a_100000211605_200025704644 [1,1,0,0,0,0|2,0,0]=4 747 B10R1.4 [13CH3]SCc1ccccc1F 62a_200025704644_100000211605 [1,1,0,0,0,0|2,0,0]=4 748 B10R1.4 [13CH3]SCc1ccccc1I 62a_100011216222_200025704644 [1,1,0,0,0,0|2,0,0]=4 749 B10R1.4 [13CH3]SCc1ccccc1I 62a_200025704644_100011216222 [1,1,0,0,0,0|2,0,0]=4 750 B10R1.10 C=CCc1cccc(c1)O 271570a_203496583355_100009816576 [1,1,0,0,0,0|1,0,1]=4 751 B10R1.10 CC#Cc1cccc(c1)O 271570a_203496583355_200009843338 [1,1,0,0,0,0|1,0,1]=4 752 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [1,1,0,0,0,0|1,0,1]=4 753 B10R1.10 CNCc1cccc(c1)Br 207a_100102657272_100000210085 [1,1,0,0,0,0|2,0,0]=4 754 B10R1.10 CNCc1cccc(c1)Br 2230a_100000174977_200000210301 [1,1,0,0,0,0|2,0,0]=4 755 B10R1.10 CNCc1cccc(c1)Br 2230a_106832991635_100000698116 [1,1,0,0,0,0|2,0,0]=4 756 B10R1.10 CNCc1cccc(c1)Br 26a_100102657272_100000210342 [1,1,0,0,0,0|2,0,0]=4 757 B10R1.10 CNCc1cccc(c1)Br 270004a_106832991635_100000210085 [1,1,0,0,0,0|2,0,0]=4 758 B10R1.10 CNCc1cccc(c1)Br 34a_100000174977_200000210301 [1,1,0,0,0,0|2,0,0]=4 759 B10R1.10 CNCc1cccc(c1)Br 34a_100102657272_100000698116 [1,1,0,0,0,0|2,0,0]=4 760 B10R1.10 CNCc1cccc(c1)Br 7a_106832991635_100000211773 [1,1,0,0,0,0|2,0,0]=4 761 B10R1.10 CNCc1cccc(c1)C 207a_100102657272_100000211157 [1,1,0,0,0,0|2,0,0]=4 762 B10R1.10 CNCc1cccc(c1)C 2230a_100000185548_200000210301 [1,1,0,0,0,0|2,0,0]=4 763 B10R1.10 CNCc1cccc(c1)C 2230a_106832991635_100000211840 [1,1,0,0,0,0|2,0,0]=4 764 B10R1.10 CNCc1cccc(c1)C 270004a_106832991635_100000211157 [1,1,0,0,0,0|2,0,0]=4 765 B10R1.10 CNCc1cccc(c1)C 34a_100000185548_200000210301 [1,1,0,0,0,0|2,0,0]=4 766 B10R1.10 CNCc1cccc(c1)C 34a_100102657272_100000211840 [1,1,0,0,0,0|2,0,0]=4 767 B10R1.10 CNCc1cccc(c1)C 7a_106832991635_100000211840 [1,1,0,0,0,0|2,0,0]=4 768 B10R1.10 CNCc1cccc(c1)Cl 207a_100102657272_100000210801 [1,1,0,0,0,0|2,0,0]=4 769 B10R1.10 CNCc1cccc(c1)Cl 2230a_100000174878_200000210301 [1,1,0,0,0,0|2,0,0]=4 770 B10R1.10 CNCc1cccc(c1)Cl 2230a_106832991635_100000181238 [1,1,0,0,0,0|2,0,0]=4 771 B10R1.10 CNCc1cccc(c1)Cl 270004a_106832991635_100000210801 [1,1,0,0,0,0|2,0,0]=4 772 B10R1.10 CNCc1cccc(c1)Cl 34a_100000174878_200000210301 [1,1,0,0,0,0|2,0,0]=4 773 B10R1.10 CNCc1cccc(c1)Cl 34a_100102657272_100000187163 [1,1,0,0,0,0|2,0,0]=4 774 B10R1.10 CNCc1cccc(c1)Cl 7a_106832991635_100000187163 [1,1,0,0,0,0|2,0,0]=4 775 B10R1.10 CNCc1cccc(c1)F 207a_100102657272_100000210812 [1,1,0,0,0,0|2,0,0]=4 776 B10R1.10 CNCc1cccc(c1)F 2230a_100000174948_200000210301 [1,1,0,0,0,0|2,0,0]=4 777 B10R1.10 CNCc1cccc(c1)F 2230a_106832991635_100000230114 [1,1,0,0,0,0|2,0,0]=4 778 B10R1.10 CNCc1cccc(c1)F 270004a_106832991635_100000210812 [1,1,0,0,0,0|2,0,0]=4 779 B10R1.10 CNCc1cccc(c1)F 34a_100000174948_200000210301 [1,1,0,0,0,0|2,0,0]=4 780 B10R1.10 CNCc1cccc(c1)F 34a_100102657272_100000187166 [1,1,0,0,0,0|2,0,0]=4 781 B10R1.10 CNCc1cccc(c1)F 7a_106832991635_100000230114 [1,1,0,0,0,0|2,0,0]=4 782 B10R1.10 CNCc1cccc(c1)I 207a_100102657272_100000014684 [1,1,0,0,0,0|2,0,0]=4 783 B10R1.10 CNCc1cccc(c1)I 2230a_100000106179_200000210301 [1,1,0,0,0,0|2,0,0]=4 784 B10R1.10 CNCc1cccc(c1)I 2230a_106832991635_100011218688 [1,1,0,0,0,0|2,0,0]=4 785 B10R1.10 CNCc1cccc(c1)I 270004a_106832991635_100000014684 [1,1,0,0,0,0|2,0,0]=4 786 B10R1.10 CNCc1cccc(c1)I 34a_100000106179_200000210301 [1,1,0,0,0,0|2,0,0]=4 787 B10R1.10 CNCc1cccc(c1)I 34a_100102657272_100011218688 [1,1,0,0,0,0|2,0,0]=4 788 B10R1.10 CNCc1cccc(c1)I 7a_106832991635_100011218688 [1,1,0,0,0,0|2,0,0]=4 789 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [1,1,0,0,0,0|2,0,0]=4 790 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [1,1,0,0,0,0|2,0,0]=4 791 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [1,1,0,0,0,0|2,0,0]=4 792 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [1,1,0,0,0,0|2,0,0]=4 793 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [1,1,0,0,0,0|2,0,0]=4 794 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [1,1,0,0,0,0|2,0,0]=4 795 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [1,1,0,0,0,0|2,0,0]=4 796 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [1,1,0,0,0,0|2,0,0]=4 797 B10R1.10 COCc1cccc(c1)Br 34a_100000687537_200000210301 [1,1,0,0,0,0|2,0,0]=4 798 B10R1.10 COCc1cccc(c1)Br 34a_100138415774_100000698116 [1,1,0,0,0,0|2,0,0]=4 799 B10R1.10 COCc1cccc(c1)Br 7a_100000687537_200000210301 [1,1,0,0,0,0|2,0,0]=4 800 B10R1.10 COCc1cccc(c1)C 34a_100011217746_200000210301 [1,1,0,0,0,0|2,0,0]=4 801 B10R1.10 COCc1cccc(c1)C 34a_100138415774_100000211840 [1,1,0,0,0,0|2,0,0]=4 802 B10R1.10 COCc1cccc(c1)C 7a_100011217746_200000210301 [1,1,0,0,0,0|2,0,0]=4 803 B10R1.10 COCc1cccc(c1)Cl 34a_100000241301_200000210301 [1,1,0,0,0,0|2,0,0]=4 804 B10R1.10 COCc1cccc(c1)Cl 34a_100138415774_100000187163 [1,1,0,0,0,0|2,0,0]=4 805 B10R1.10 COCc1cccc(c1)Cl 7a_100000241301_200000210301 [1,1,0,0,0,0|2,0,0]=4 806 B10R1.10 COCc1cccc(c1)F 34a_100000210976_200000210301 [1,1,0,0,0,0|2,0,0]=4 807 B10R1.10 COCc1cccc(c1)F 34a_100138415774_100000187166 [1,1,0,0,0,0|2,0,0]=4 808 B10R1.10 COCc1cccc(c1)F 7a_100000210976_200000210301 [1,1,0,0,0,0|2,0,0]=4 809 B10R1.10 COCc1cccc(c1)I 34a_100011215336_200000210301 [1,1,0,0,0,0|2,0,0]=4 810 B10R1.10 COCc1cccc(c1)I 34a_100138415774_100011218688 [1,1,0,0,0,0|2,0,0]=4 811 B10R1.10 COCc1cccc(c1)I 7a_100011215336_200000210301 [1,1,0,0,0,0|2,0,0]=4 812 B10R1.10 COCc1cccc(c1)N 34a_100000211919_200000210301 [1,1,0,0,0,0|2,0,0]=4 813 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [1,1,0,0,0,0|2,0,0]=4 814 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [1,1,0,0,0,0|2,0,0]=4 815 B10R1.10 CSCc1cccc(c1)Br 62a_100000211773_200000210301 [1,1,0,0,0,0|2,0,0]=4 816 B10R1.10 CSCc1cccc(c1)Br 62a_200000210301_100000211773 [1,1,0,0,0,0|2,0,0]=4 817 B10R1.10 CSCc1cccc(c1)C 62a_100000211840_200000210301 [1,1,0,0,0,0|2,0,0]=4 818 B10R1.10 CSCc1cccc(c1)C 62a_200000210301_100000211840 [1,1,0,0,0,0|2,0,0]=4 819 B10R1.10 CSCc1cccc(c1)Cl 62a_100000187163_200000210301 [1,1,0,0,0,0|2,0,0]=4 820 B10R1.10 CSCc1cccc(c1)Cl 62a_200000210301_100000187163 [1,1,0,0,0,0|2,0,0]=4 821 B10R1.10 CSCc1cccc(c1)F 62a_100000230114_200000210301 [1,1,0,0,0,0|2,0,0]=4 822 B10R1.10 CSCc1cccc(c1)F 62a_200000210301_100000230114 [1,1,0,0,0,0|2,0,0]=4 823 B10R1.10 CSCc1cccc(c1)I 62a_100011218688_200000210301 [1,1,0,0,0,0|2,0,0]=4 824 B10R1.10 CSCc1cccc(c1)I 62a_200000210301_100011218688 [1,1,0,0,0,0|2,0,0]=4 825 B10R1.10 CSCc1cccc(c1)O 62a_100011660834_200000210301 [1,1,0,0,0,0|2,0,0]=4 826 B10R1.10 CSCc1cccc(c1)O 62a_200000210301_100011660834 [1,1,0,0,0,0|2,0,0]=4 827 B10R1.10 Cc1cccc(c1)CN[13CH3] 2230a_100000185548_200025704644 [1,1,0,0,0,0|2,0,0]=4 828 B10R1.10 Cc1cccc(c1)CN[13CH3] 34a_100000185548_200025704644 [1,1,0,0,0,0|2,0,0]=4 829 B10R1.10 Cc1cccc(c1)CO[13CH3] 34a_100011217746_200025704644 [1,1,0,0,0,0|2,0,0]=4 830 B10R1.10 Cc1cccc(c1)CO[13CH3] 7a_100011217746_200025704644 [1,1,0,0,0,0|2,0,0]=4 831 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_100000211840_200025704644 [1,1,0,0,0,0|2,0,0]=4 832 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_200025704644_100000211840 [1,1,0,0,0,0|2,0,0]=4 833 B10R1.10 N#CCc1cc(ccn1)O 271570a_203496583355_100009875060 [1,1,0,0,0,0|1,0,0]=3 834 B10R1.10 N#CCc1cccc(c1)O 271570a_203496583355_100000034040 [1,1,0,0,0,0|0,0,0]=2 835 B10R1.10 N#CCc1cccc(n1)O 271570a_203496583355_100000727631 [1,1,0,0,0,0|1,0,0]=3 836 B10R1.10 N#CCc1ccnc(c1)O 271570a_203496583355_100009819943 [1,1,0,0,0,0|1,0,0]=3 837 B10R1.10 N#CCc1cncc(c1)O 271570a_203496583355_100015508350 [1,1,0,0,0,0|1,0,0]=3 838 B10R1.10 NCCc1cccc(c1)O 271570a_203496583355_100011207229 [1,1,0,0,0,0|0,0,2]=4 839 B10R1.10 NNCc1cccc(c1)O 271570a_203496583355_100000686200 [1,1,0,0,0,0|1,0,1]=4 840 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [1,1,0,0,0,0|1,0,1]=4 841 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [1,1,0,0,0,0|1,0,1]=4 842 B10R1.10 [13CH3]NCc1cccc(c1)Br 2230a_100000174977_200025704644 [1,1,0,0,0,0|2,0,0]=4 843 B10R1.10 [13CH3]NCc1cccc(c1)Br 34a_100000174977_200025704644 [1,1,0,0,0,0|2,0,0]=4 844 B10R1.10 [13CH3]NCc1cccc(c1)Cl 2230a_100000174878_200025704644 [1,1,0,0,0,0|2,0,0]=4 845 B10R1.10 [13CH3]NCc1cccc(c1)Cl 34a_100000174878_200025704644 [1,1,0,0,0,0|2,0,0]=4 846 B10R1.10 [13CH3]NCc1cccc(c1)F 2230a_100000174948_200025704644 [1,1,0,0,0,0|2,0,0]=4 847 B10R1.10 [13CH3]NCc1cccc(c1)F 34a_100000174948_200025704644 [1,1,0,0,0,0|2,0,0]=4 848 B10R1.10 [13CH3]NCc1cccc(c1)I 2230a_100000106179_200025704644 [1,1,0,0,0,0|2,0,0]=4 849 B10R1.10 [13CH3]NCc1cccc(c1)I 34a_100000106179_200025704644 [1,1,0,0,0,0|2,0,0]=4 850 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [1,1,0,0,0,0|2,0,0]=4 851 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [1,1,0,0,0,0|2,0,0]=4 852 B10R1.10 [13CH3]OCc1cccc(c1)Br 34a_100000687537_200025704644 [1,1,0,0,0,0|2,0,0]=4 853 B10R1.10 [13CH3]OCc1cccc(c1)Br 7a_100000687537_200025704644 [1,1,0,0,0,0|2,0,0]=4 854 B10R1.10 [13CH3]OCc1cccc(c1)Cl 34a_100000241301_200025704644 [1,1,0,0,0,0|2,0,0]=4 855 B10R1.10 [13CH3]OCc1cccc(c1)Cl 7a_100000241301_200025704644 [1,1,0,0,0,0|2,0,0]=4 856 B10R1.10 [13CH3]OCc1cccc(c1)F 34a_100000210976_200025704644 [1,1,0,0,0,0|2,0,0]=4 857 B10R1.10 [13CH3]OCc1cccc(c1)F 7a_100000210976_200025704644 [1,1,0,0,0,0|2,0,0]=4 858 B10R1.10 [13CH3]OCc1cccc(c1)I 34a_100011215336_200025704644 [1,1,0,0,0,0|2,0,0]=4 859 B10R1.10 [13CH3]OCc1cccc(c1)I 7a_100011215336_200025704644 [1,1,0,0,0,0|2,0,0]=4 860 B10R1.10 [13CH3]OCc1cccc(c1)N 34a_100000211919_200025704644 [1,1,0,0,0,0|2,0,0]=4 861 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_100000211773_200025704644 [1,1,0,0,0,0|2,0,0]=4 862 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_200025704644_100000211773 [1,1,0,0,0,0|2,0,0]=4 863 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_100000187163_200025704644 [1,1,0,0,0,0|2,0,0]=4 864 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_200025704644_100000187163 [1,1,0,0,0,0|2,0,0]=4 865 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_100000230114_200025704644 [1,1,0,0,0,0|2,0,0]=4 866 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_200025704644_100000230114 [1,1,0,0,0,0|2,0,0]=4 867 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_100011218688_200025704644 [1,1,0,0,0,0|2,0,0]=4 868 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_200025704644_100011218688 [1,1,0,0,0,0|2,0,0]=4 869 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_100011660834_200025704644 [1,1,0,0,0,0|2,0,0]=4 870 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_200025704644_100011660834 [1,1,0,0,0,0|2,0,0]=4 871 B10R1.17 C#CCNc1ccccc1 34a_100000106764_100000184674 [1,1,0,0,0,0|1,0,0]=3 872 B10R1.17 C#CCOc1ccccc1 34a_100000210340_100000184674 [1,1,0,0,0,0|1,0,0]=3 873 B10R1.17 C#CCOc1ccccc1 7a_100000210340_100000038162 [1,1,0,0,0,0|1,0,0]=3 874 B10R1.17 C#CCOc1cccnc1 34a_100000210849_100000184674 [1,1,0,0,0,0|2,0,0]=4 875 B10R1.17 C#CCOc1cccnc1 7a_100000210849_100000038162 [1,1,0,0,0,0|2,0,0]=4 876 B10R1.17 C#CCOc1ccncc1 34a_100000212176_100000184674 [1,1,0,0,0,0|2,0,0]=4 877 B10R1.17 C#CCSc1ccccc1 62a_100000038162_100000041952 [1,1,0,0,0,0|1,0,0]=3 878 B10R1.17 C#CCSc1ccccn1 62a_100000038162_100011216584 [1,1,0,0,0,0|2,0,0]=4 879 B10R1.17 C#CCSc1cccnc1 62a_100000038162_100000210063 [1,1,0,0,0,0|2,0,0]=4 880 B10R1.17 C#CCSc1ccncc1 62a_100000038162_100000728582 [1,1,0,0,0,0|2,0,0]=4 881 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [1,1,0,0,0,0|1,0,1]=4 882 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [1,1,0,0,0,0|1,0,1]=4 883 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [1,1,0,0,0,0|1,0,1]=4 884 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [1,1,0,0,0,0|1,0,1]=4 885 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [1,1,0,0,0,0|1,0,1]=4 886 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [1,1,0,0,0,0|1,0,1]=4 887 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [1,1,0,0,0,0|1,0,1]=4 888 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [1,1,0,0,0,0|1,0,1]=4 889 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [1,1,0,0,0,0|1,0,1]=4 890 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [1,1,0,0,0,0|1,0,1]=4 891 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [1,1,0,0,0,0|1,0,1]=4 892 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [1,1,0,0,0,0|1,0,1]=4 893 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [1,1,0,0,0,0|1,0,1]=4 894 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [1,1,0,0,0,0|1,0,1]=4 895 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [1,1,0,0,0,0|1,0,1]=4 896 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [1,1,0,0,0,0|1,0,1]=4 897 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [1,1,0,0,0,0|1,0,1]=4 898 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [1,1,0,0,0,0|1,0,1]=4 899 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [1,1,0,0,0,0|1,0,1]=4 900 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [1,1,0,0,0,0|1,0,1]=4 901 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [1,1,0,0,0,0|1,0,1]=4 902 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [1,1,0,0,0,0|0,0,2]=4 903 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [1,1,0,0,0,0|0,0,2]=4 904 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [1,1,0,0,0,0|0,0,2]=4 905 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [1,1,0,0,0,0|0,0,2]=4 906 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [1,1,0,0,0,0|0,0,2]=4 907 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [1,1,0,0,0,0|2,0,0]=4 908 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [1,1,0,0,0,0|1,0,1]=4 909 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [1,1,0,0,0,0|1,0,1]=4 910 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [1,1,0,0,0,0|1,0,1]=4 911 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [1,1,0,0,0,0|2,0,0]=4 912 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [1,1,0,0,0,0|2,0,0]=4 913 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [1,1,0,0,0,0|1,0,1]=4 914 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [1,1,0,0,0,0|1,0,1]=4 915 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [1,1,0,0,0,0|2,0,0]=4 916 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [1,1,0,0,0,0|2,0,0]=4 917 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [1,1,0,0,0,0|2,0,0]=4 918 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [1,1,0,0,0,0|2,0,0]=4 919 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [1,1,0,0,0,0|2,0,0]=4 920 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [1,1,0,0,0,0|2,0,0]=4 921 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [1,1,0,0,0,0|1,0,1]=4 922 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [1,1,0,0,0,0|1,0,1]=4 923 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [1,1,0,0,0,0|1,0,1]=4 924 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [1,1,0,0,0,0|1,0,1]=4 925 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [1,1,0,0,0,0|1,0,1]=4 926 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [1,1,0,0,0,0|1,0,1]=4 927 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [1,1,0,0,0,0|1,0,1]=4 928 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [1,1,0,0,0,0|1,0,1]=4 929 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [1,1,0,0,0,0|1,0,1]=4 930 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [1,1,0,0,0,0|1,0,1]=4 931 B10R1.17 N#CCOc1ccccc1 7a_100000210340_100011215382 [1,1,0,0,0,0|0,0,0]=2 932 B10R1.17 N#CCOc1cccnc1 7a_100000210849_100011215382 [1,1,0,0,0,0|1,0,0]=3 933 B10R1.17 N#CCOc1cncnc1 7a_100000754086_100011215382 [1,1,0,0,0,0|2,0,0]=4 934 B10R1.17 N#CCSc1ccccc1 62a_100000719477_100011215382 [1,1,0,0,0,0|0,0,0]=2 935 B10R1.17 N#CCSc1ccccc1 62a_100011215382_100000041952 [1,1,0,0,0,0|0,0,0]=2 936 B10R1.17 N#CCSc1ccccn1 62a_100011215382_100011216584 [1,1,0,0,0,0|1,0,0]=3 937 B10R1.17 N#CCSc1ccccn1 62a_100011216584_100011215382 [1,1,0,0,0,0|1,0,0]=3 938 B10R1.17 N#CCSc1cccnc1 62a_100000210063_100011215382 [1,1,0,0,0,0|1,0,0]=3 939 B10R1.17 N#CCSc1cccnc1 62a_100011215382_100000210063 [1,1,0,0,0,0|1,0,0]=3 940 B10R1.17 N#CCSc1cccnn1 62a_100011215382_100016991348 [1,1,0,0,0,0|2,0,0]=4 941 B10R1.17 N#CCSc1cccnn1 62a_100016991348_100011215382 [1,1,0,0,0,0|2,0,0]=4 942 B10R1.17 N#CCSc1ccncc1 62a_100000728582_100011215382 [1,1,0,0,0,0|1,0,0]=3 943 B10R1.17 N#CCSc1ccncc1 62a_100011215382_100000728582 [1,1,0,0,0,0|1,0,0]=3 944 B10R1.17 N#CCSc1ccncn1 62a_100000703185_100011215382 [1,1,0,0,0,0|2,0,0]=4 945 B10R1.17 N#CCSc1ccncn1 62a_100011215382_100000703185 [1,1,0,0,0,0|2,0,0]=4 946 B10R1.17 N#CCSc1ccnnc1 62a_100000732662_100011215382 [1,1,0,0,0,0|2,0,0]=4 947 B10R1.17 N#CCSc1ccnnc1 62a_100011215382_100000732662 [1,1,0,0,0,0|2,0,0]=4 948 B10R1.17 N#CCSc1cnccn1 62a_100000211759_100011215382 [1,1,0,0,0,0|2,0,0]=4 949 B10R1.17 N#CCSc1cnccn1 62a_100011215382_100000211759 [1,1,0,0,0,0|2,0,0]=4 950 B10R1.17 N#CCSc1cncnc1 62a_100011206942_100011215382 [1,1,0,0,0,0|2,0,0]=4 951 B10R1.17 N#CCSc1cncnc1 62a_100011215382_100011206942 [1,1,0,0,0,0|2,0,0]=4 952 B10R1.17 N#CCSc1ncccn1 62a_100000211032_100011215382 [1,1,0,0,0,0|2,0,0]=4 953 B10R1.17 N#CCSc1ncccn1 62a_100011215382_100000211032 [1,1,0,0,0,0|2,0,0]=4 954 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [1,1,0,0,0,0|1,0,1]=4 955 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [1,1,0,0,0,0|1,0,1]=4 956 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [1,1,0,0,0,0|1,0,1]=4 957 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [1,1,0,0,0,0|1,0,1]=4 958 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [1,1,0,0,0,0|1,0,1]=4 959 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [1,1,0,0,0,0|1,0,1]=4 960 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [1,1,0,0,0,0|1,0,1]=4 961 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [1,1,0,0,0,0|1,0,1]=4 962 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [1,1,0,0,0,0|1,0,1]=4 963 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [1,1,0,0,0,0|1,0,1]=4 964 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [1,1,0,0,0,0|0,0,2]=4 965 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [1,1,0,0,0,0|0,0,2]=4 966 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [1,1,0,0,0,0|1,0,1]=4 967 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [1,1,0,0,0,0|1,0,1]=4 968 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [1,1,0,0,0,0|1,0,1]=4 969 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [1,1,0,0,0,0|1,0,1]=4 970 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [1,1,0,0,0,0|2,0,0]=4 971 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [1,1,0,0,0,0|2,0,0]=4 972 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,1,0,0,0,0|1,0,1]=4 973 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,1,0,0,0,0|2,0,0]=4 974 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,1,0,0,0,0|2,0,0]=4 975 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,1,0,0,0,0|2,0,0]=4 976 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,1,0,0,0,0|2,0,0]=4 977 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,1,0,0,0,0|2,0,0]=4 978 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,1,0,0,0,0|2,0,0]=4 979 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,1,0,0,0,0|2,0,0]=4 980 B12R1.32 CC(CC#N)Oc1ccccc1 7a_100000210340_100009813641 [0,1,0,0,0,1|1,0,0]=3 981 B12R1.32 CC(CC#N)Oc1cccnc1 7a_100000210849_100009813641 [0,1,0,0,0,1|2,0,0]=4 982 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100000719477_100009813641 [0,1,0,0,0,1|1,0,0]=3 983 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100009813641_100000041952 [0,1,0,0,0,1|1,0,0]=3 984 B12R1.32 CC(CC#N)Sc1ccccn1 62a_100009813641_100011216584 [0,1,0,0,0,1|2,0,0]=4 985 B12R1.32 CC(CC#N)Sc1ccccn1 62a_100011216584_100009813641 [0,1,0,0,0,1|2,0,0]=4 986 B12R1.32 CC(CC#N)Sc1cccnc1 62a_100000210063_100009813641 [0,1,0,0,0,1|2,0,0]=4 987 B12R1.32 CC(CC#N)Sc1cccnc1 62a_100009813641_100000210063 [0,1,0,0,0,1|2,0,0]=4 988 B12R1.32 CC(CC#N)Sc1ccncc1 62a_100000728582_100009813641 [0,1,0,0,0,1|2,0,0]=4 989 B12R1.32 CC(CC#N)Sc1ccncc1 62a_100009813641_100000728582 [0,1,0,0,0,1|2,0,0]=4 990 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000186898_100011215382 [0,1,0,0,0,1|2,0,0]=4 991 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000743013_200000210301 [0,1,0,0,0,1|2,0,0]=4 992 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000748184_100015291786 [0,1,0,0,0,1|2,0,0]=4 993 B12R1.32 CN(CC#N)Cc1ccccc1 269982a_100000186898_100011214920 [0,1,0,0,0,1|2,0,0]=4 994 B12R1.32 CNCC(O)Cc1ccccc1 2230a_100000752270_200000210301 [0,1,0,0,0,1|0,0,2]=4 995 B12R1.32 CNC[C@@H](O)Cc1ccccc1 2230a_106832991635_100000729385 [0,1,0,0,0,1|0,0,2]=4 996 B12R1.32 CNC[C@@H](O)Cc1ccccc1 34a_100102657272_100000729385 [0,1,0,0,0,1|0,0,2]=4 997 B12R1.32 CNC[C@@H](O)Cc1ccccc1 7a_106832991635_100000729385 [0,1,0,0,0,1|0,0,2]=4 998 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [0,1,0,0,0,1|1,0,1]=4 999 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_100000729385_200000210301 [0,1,0,0,0,1|1,0,1]=4 1000 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_200000210301_100000729385 [0,1,0,0,0,1|1,0,1]=4 1001 B12R1.32 N#CCC(=O)Cc1ccccc1 1458a_100051588842_100015291786 [0,1,0,0,0,1|0,0,2]=4 1002 B12R1.32 N#CCC(=O)Nc1ccccc1 1626a_100000106764_100051588842 [0,1,0,0,0,1|0,0,2]=4 1003 B12R1.32 N#CCC(=O)Nc1ccccc1 22a_100000106764_100051588842 [0,1,0,0,0,1|0,0,2]=4 1004 B12R1.32 [13CH3]N(CC#N)Cc1ccccc1 2230a_100000743013_200025704644 [0,1,0,0,0,1|2,0,0]=4 1005 B12R1.32 [13CH3]NCC(O)Cc1ccccc1 2230a_100000752270_200025704644 [0,1,0,0,0,1|0,0,2]=4 1006 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_100000729385_200025704644 [0,1,0,0,0,1|1,0,1]=4 1007 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_200025704644_100000729385 [0,1,0,0,0,1|1,0,1]=4 1008 B12R1.34 C#CC(C)C(=O)c1ccccc1 1458a_100000185807_200000035995 [0,1,0,0,0,1|2,0,0]=4 1009 B12R1.34 C#CC(C)N(C)c1ccccc1 34a_100000210012_200000035995 [0,1,0,0,0,1|2,0,0]=4 1010 B12R1.34 CC(C#N)C(=O)c1ccccc1 1458a_100000185807_100000703298 [0,1,0,0,0,1|1,0,0]=3 1011 B12R1.34 CC(C#N)N(C)c1ccccc1 2230a_100000210012_100000184139 [0,1,0,0,0,1|1,0,0]=3 1012 B12R1.34 CC(C#N)N(C)c1ccccc1 269982a_100000210012_100000703298 [0,1,0,0,0,1|1,0,0]=3 1013 B12R1.34 CC(C#N)N(C)c1ccccc1 34a_100000762819_200000210301 [0,1,0,0,0,1|1,0,0]=3 1014 B12R1.34 CC(C#N)N([13CH3])c1ccccc1 34a_100000762819_200025704644 [0,1,0,0,0,1|1,0,0]=3 1015 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,1,0,0,0,1|1,0,1]=4 1016 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,1,0,0,0,1|1,0,1]=4 1017 B12R1.49 C#CC(C)Nc1ccc(cc1)Br 34a_100000210018_200000035995 [0,1,0,0,0,1|2,0,0]=4 1018 B12R1.49 C#CC(C)Nc1ccc(cc1)C 34a_100000124888_200000035995 [0,1,0,0,0,1|2,0,0]=4 1019 B12R1.49 C#CC(C)Nc1ccc(cc1)Cl 34a_100000210052_200000035995 [0,1,0,0,0,1|2,0,0]=4 1020 B12R1.49 C#CC(C)Nc1ccc(cc1)F 34a_100000185862_200000035995 [0,1,0,0,0,1|2,0,0]=4 1021 B12R1.49 C#CC(C)Nc1ccc(cc1)I 34a_100000185761_200000035995 [0,1,0,0,0,1|2,0,0]=4 1022 B12R1.49 C#CC(C)Nc1ccc(cc1)O 34a_100000185829_200000035995 [0,1,0,0,0,1|2,0,0]=4 1023 B12R1.49 C#CC(C)Oc1ccc(cc1)Br 34a_100000185759_200000035995 [0,1,0,0,0,1|2,0,0]=4 1024 B12R1.49 C#CC(C)Oc1ccc(cc1)C 34a_100000210336_200000035995 [0,1,0,0,0,1|2,0,0]=4 1025 B12R1.49 C#CC(C)Oc1ccc(cc1)Cl 34a_100000210216_200000035995 [0,1,0,0,0,1|2,0,0]=4 1026 B12R1.49 C#CC(C)Oc1ccc(cc1)F 34a_100000210339_200000035995 [0,1,0,0,0,1|2,0,0]=4 1027 B12R1.49 C#CC(C)Oc1ccc(cc1)I 34a_100000212066_200000035995 [0,1,0,0,0,1|2,0,0]=4 1028 B12R1.49 C#CC(C)Oc1ccc(cc1)N 34a_100000185829_200000035995 [0,1,0,0,0,1|2,0,0]=4 1029 B12R1.49 C#CC(C)Sc1ccc(cc1)Br 62a_200000035995_100000752885 [0,1,0,0,0,1|2,0,0]=4 1030 B12R1.49 C#CC(C)Sc1ccc(cc1)C 62a_200000035995_100000186775 [0,1,0,0,0,1|2,0,0]=4 1031 B12R1.49 C#CC(C)Sc1ccc(cc1)Cl 62a_200000035995_100000755918 [0,1,0,0,0,1|2,0,0]=4 1032 B12R1.49 C#CC(C)Sc1ccc(cc1)F 62a_200000035995_100000211213 [0,1,0,0,0,1|2,0,0]=4 1033 B12R1.49 C#CC(C)Sc1ccc(cc1)N 62a_200000035995_100000185761 [0,1,0,0,0,1|2,0,0]=4 1034 B12R1.49 C#CC(C)Sc1ccc(cc1)O 62a_200000035995_100000185759 [0,1,0,0,0,1|2,0,0]=4 1035 B12R1.49 CC(=Cc1ccc(cc1)Br)C#N 6a_100000186029_200000212204 [0,1,0,0,0,1|1,0,1]=4 1036 B12R1.49 CC(=Cc1ccc(cc1)F)C#N 6a_100000210084_200000212204 [0,1,0,0,0,1|1,0,1]=4 1037 B12R1.49 CC(=Cc1ccc(cc1)I)C#N 6a_100000188517_200000212204 [0,1,0,0,0,1|1,0,1]=4 1038 B12R1.49 CC(C#N)Nc1ccc(cc1)Br 2230a_100000210018_100000184139 [0,1,0,0,0,1|1,0,0]=3 1039 B12R1.49 CC(C#N)Nc1ccc(cc1)Cl 2230a_100000210052_100000184139 [0,1,0,0,0,1|1,0,0]=3 1040 B12R1.49 CC(C#N)Oc1ccc(cc1)Br 7a_100000185759_100000703298 [0,1,0,0,0,1|1,0,0]=3 1041 B12R1.49 CC(C#N)Oc1ccc(cc1)Cl 7a_100000210216_100000703298 [0,1,0,0,0,1|1,0,0]=3 1042 B12R1.49 CC(C#N)Oc1ccc(cc1)I 7a_100000212066_100000703298 [0,1,0,0,0,1|1,0,0]=3 1043 B12R1.49 CC(C#N)Oc1ccc(nc1)Br 7a_100000685995_100000703298 [0,1,0,0,0,1|2,0,0]=4 1044 B12R1.49 CC(C#N)Oc1ccc(nc1)Cl 7a_100000744096_100000703298 [0,1,0,0,0,1|2,0,0]=4 1045 B12R1.49 CC(C#N)Oc1ccc(nc1)F 7a_100000688820_100000703298 [0,1,0,0,0,1|2,0,0]=4 1046 B12R1.49 CC(C#N)Oc1ccc(nc1)I 7a_100000687607_100000703298 [0,1,0,0,0,1|2,0,0]=4 1047 B12R1.49 CC(C#N)Oc1ccc(nc1)N 7a_100015188713_100000703298 [0,1,0,0,0,1|2,0,0]=4 1048 B12R1.49 CC(C#N)Sc1cc[n+](cc1)[O-] 62a_100000703298_100000039755 [0,1,0,0,0,1|2,0,0]=4 1049 B12R1.49 CC(C#N)Sc1ccc(=O)[nH]c1 62a_100000212171_100000703298 [0,1,0,0,0,1|2,0,0]=4 1050 B12R1.49 CC(C#N)Sc1ccc(=O)[nH]c1 62a_100000703298_100000212171 [0,1,0,0,0,1|2,0,0]=4 1051 B12R1.49 CC(C#N)Sc1ccc(cc1)Br 62a_100000703298_100000752885 [0,1,0,0,0,1|1,0,0]=3 1052 B12R1.49 CC(C#N)Sc1ccc(cc1)Br 62a_100000752885_100000703298 [0,1,0,0,0,1|1,0,0]=3 1053 B12R1.49 CC(C#N)Sc1ccc(cc1)Cl 62a_100000703298_100000755918 [0,1,0,0,0,1|1,0,0]=3 1054 B12R1.49 CC(C#N)Sc1ccc(cc1)Cl 62a_100000755918_100000703298 [0,1,0,0,0,1|1,0,0]=3 1055 B12R1.49 CC(C#N)Sc1ccc(cc1)F 62a_100000211213_100000703298 [0,1,0,0,0,1|1,0,0]=3 1056 B12R1.49 CC(C#N)Sc1ccc(cc1)F 62a_100000703298_100000211213 [0,1,0,0,0,1|1,0,0]=3 1057 B12R1.49 CC(C#N)Sc1ccc(cc1)N 62a_100000185761_100000703298 [0,1,0,0,0,1|1,0,0]=3 1058 B12R1.49 CC(C#N)Sc1ccc(cc1)N 62a_100000703298_100000185761 [0,1,0,0,0,1|1,0,0]=3 1059 B12R1.49 CC(C#N)Sc1ccc(cc1)O 62a_100000703298_100000185759 [0,1,0,0,0,1|1,0,0]=3 1060 B12R1.49 CC(C#N)Sc1ccc(cn1)Br 62a_100000686858_100000703298 [0,1,0,0,0,1|2,0,0]=4 1061 B12R1.49 CC(C#N)Sc1ccc(cn1)Br 62a_100000703298_100000686858 [0,1,0,0,0,1|2,0,0]=4 1062 B12R1.49 CC(C#N)Sc1ccc(cn1)Cl 62a_100000703298_100011356976 [0,1,0,0,0,1|2,0,0]=4 1063 B12R1.49 CC(C#N)Sc1ccc(cn1)Cl 62a_100011356976_100000703298 [0,1,0,0,0,1|2,0,0]=4 1064 B12R1.49 CC(C#N)Sc1ccc(cn1)F 62a_100000703298_100000744514 [0,1,0,0,0,1|2,0,0]=4 1065 B12R1.49 CC(C#N)Sc1ccc(cn1)F 62a_100000744514_100000703298 [0,1,0,0,0,1|2,0,0]=4 1066 B12R1.49 CC(C#N)Sc1ccc(cn1)N 62a_100000703298_100000737798 [0,1,0,0,0,1|2,0,0]=4 1067 B12R1.49 CC(C#N)Sc1ccc(cn1)N 62a_100000737798_100000703298 [0,1,0,0,0,1|2,0,0]=4 1068 B12R1.49 CC(C#N)Sc1ccc(cn1)O 62a_100000685995_100000703298 [0,1,0,0,0,1|2,0,0]=4 1069 B12R1.49 CC(C#N)Sc1ccc(cn1)O 62a_100000703298_100000744096 [0,1,0,0,0,1|2,0,0]=4 1070 B12R1.49 CC(C#N)Sc1ccc(nc1)Br 62a_100000703298_100009814638 [0,1,0,0,0,1|2,0,0]=4 1071 B12R1.49 CC(C#N)Sc1ccc(nc1)Br 62a_100009814638_100000703298 [0,1,0,0,0,1|2,0,0]=4 1072 B12R1.49 CC(C#N)Sc1ccc(nc1)Cl 62a_100000034144_100000703298 [0,1,0,0,0,1|2,0,0]=4 1073 B12R1.49 CC(C#N)Sc1ccc(nc1)Cl 62a_100000703298_100000034144 [0,1,0,0,0,1|2,0,0]=4 1074 B12R1.49 CC(C#N)Sc1ccc(nc1)F 62a_100000042367_100000703298 [0,1,0,0,0,1|2,0,0]=4 1075 B12R1.49 CC(C#N)Sc1ccc(nc1)F 62a_100000703298_100000042367 [0,1,0,0,0,1|2,0,0]=4 1076 B12R1.49 CC(C#N)Sc1ccc(nc1)N 62a_100000187370_100000703298 [0,1,0,0,0,1|2,0,0]=4 1077 B12R1.49 CC(C#N)Sc1ccc(nc1)N 62a_100000703298_100000187370 [0,1,0,0,0,1|2,0,0]=4 1078 B12R1.49 Cc1ccc(cc1)OC(C)C#N 7a_100000210336_100000703298 [0,1,0,0,0,1|1,0,0]=3 1079 B12R1.49 Cc1ccc(cc1)SC(C)C#N 62a_100000186775_100000703298 [0,1,0,0,0,1|1,0,0]=3 1080 B12R1.49 Cc1ccc(cc1)SC(C)C#N 62a_100000703298_100000186775 [0,1,0,0,0,1|1,0,0]=3 1081 B12R1.49 Cc1ccc(cc1)SC(F)C#N 62a_100000186775_200000117898 [0,1,0,0,0,1|1,0,0]=3 1082 B12R1.49 Cc1ccc(cc1)SC(F)C#N 62a_200000117898_100000186775 [0,1,0,0,0,1|1,0,0]=3 1083 B12R1.49 Cc1ccc(cn1)OC(C)C#N 7a_100000745506_100000703298 [0,1,0,0,0,1|2,0,0]=4 1084 B12R1.49 Cc1ccc(cn1)SC(C)C#N 62a_100000703298_100000751577 [0,1,0,0,0,1|2,0,0]=4 1085 B12R1.49 Cc1ccc(cn1)SC(C)C#N 62a_100000751577_100000703298 [0,1,0,0,0,1|2,0,0]=4 1086 B12R1.49 Cc1ccc(cn1)SC(F)C#N 62a_100000751577_200000117898 [0,1,0,0,0,1|2,0,0]=4 1087 B12R1.49 Cc1ccc(cn1)SC(F)C#N 62a_200000117898_100000751577 [0,1,0,0,0,1|2,0,0]=4 1088 B12R1.49 Cc1ccc(nc1)SC(C)C#N 62a_100000703298_100000754016 [0,1,0,0,0,1|2,0,0]=4 1089 B12R1.49 Cc1ccc(nc1)SC(C)C#N 62a_100011192072_100000703298 [0,1,0,0,0,1|2,0,0]=4 1090 B12R1.49 Cc1ccc(nc1)SC(F)C#N 62a_100011192072_200000117898 [0,1,0,0,0,1|2,0,0]=4 1091 B12R1.49 Cc1ccc(nc1)SC(F)C#N 62a_200000117898_100000754016 [0,1,0,0,0,1|2,0,0]=4 1092 B12R1.49 N#CC(=Cc1ccc(cc1)Br)F 6a_100000186029_200000032654 [0,1,0,0,0,1|1,0,1]=4 1093 B12R1.49 N#CC(=Cc1ccc(cc1)F)F 6a_100000210084_200000032654 [0,1,0,0,0,1|1,0,1]=4 1094 B12R1.49 N#CC(=Cc1ccc(cc1)I)F 6a_100000188517_200000032654 [0,1,0,0,0,1|1,0,1]=4 1095 B12R1.49 N#CC(F)Sc1cc[n+](cc1)[O-] 62a_200000117898_100000039755 [0,1,0,0,0,1|2,0,0]=4 1096 B12R1.49 N#CC(F)Sc1ccc(=O)[nH]c1 62a_100000212171_200000117898 [0,1,0,0,0,1|2,0,0]=4 1097 B12R1.49 N#CC(F)Sc1ccc(=O)[nH]c1 62a_200000117898_100000212171 [0,1,0,0,0,1|2,0,0]=4 1098 B12R1.49 N#CC(F)Sc1ccc(cc1)Br 62a_100000752885_200000117898 [0,1,0,0,0,1|1,0,0]=3 1099 B12R1.49 N#CC(F)Sc1ccc(cc1)Br 62a_200000117898_100000752885 [0,1,0,0,0,1|1,0,0]=3 1100 B12R1.49 N#CC(F)Sc1ccc(cc1)Cl 62a_100000755918_200000117898 [0,1,0,0,0,1|1,0,0]=3 1101 B12R1.49 N#CC(F)Sc1ccc(cc1)Cl 62a_200000117898_100000755918 [0,1,0,0,0,1|1,0,0]=3 1102 B12R1.49 N#CC(F)Sc1ccc(cc1)F 62a_100000211213_200000117898 [0,1,0,0,0,1|1,0,0]=3 1103 B12R1.49 N#CC(F)Sc1ccc(cc1)F 62a_200000117898_100000211213 [0,1,0,0,0,1|1,0,0]=3 1104 B12R1.49 N#CC(F)Sc1ccc(cc1)N 62a_100000185761_200000117898 [0,1,0,0,0,1|1,0,0]=3 1105 B12R1.49 N#CC(F)Sc1ccc(cc1)N 62a_200000117898_100000185761 [0,1,0,0,0,1|1,0,0]=3 1106 B12R1.49 N#CC(F)Sc1ccc(cc1)O 62a_200000117898_100000185759 [0,1,0,0,0,1|1,0,0]=3 1107 B12R1.49 N#CC(F)Sc1ccc(cn1)Br 62a_100000686858_200000117898 [0,1,0,0,0,1|2,0,0]=4 1108 B12R1.49 N#CC(F)Sc1ccc(cn1)Br 62a_200000117898_100000686858 [0,1,0,0,0,1|2,0,0]=4 1109 B12R1.49 N#CC(F)Sc1ccc(cn1)Cl 62a_100011356976_200000117898 [0,1,0,0,0,1|2,0,0]=4 1110 B12R1.49 N#CC(F)Sc1ccc(cn1)Cl 62a_200000117898_100011356976 [0,1,0,0,0,1|2,0,0]=4 1111 B12R1.49 N#CC(F)Sc1ccc(cn1)F 62a_100000744514_200000117898 [0,1,0,0,0,1|2,0,0]=4 1112 B12R1.49 N#CC(F)Sc1ccc(cn1)F 62a_200000117898_100000744514 [0,1,0,0,0,1|2,0,0]=4 1113 B12R1.49 N#CC(F)Sc1ccc(cn1)N 62a_100000737798_200000117898 [0,1,0,0,0,1|2,0,0]=4 1114 B12R1.49 N#CC(F)Sc1ccc(cn1)N 62a_200000117898_100000737798 [0,1,0,0,0,1|2,0,0]=4 1115 B12R1.49 N#CC(F)Sc1ccc(cn1)O 62a_100000685995_200000117898 [0,1,0,0,0,1|2,0,0]=4 1116 B12R1.49 N#CC(F)Sc1ccc(cn1)O 62a_200000117898_100000744096 [0,1,0,0,0,1|2,0,0]=4 1117 B12R1.49 N#CC(F)Sc1ccc(nc1)Br 62a_100009814638_200000117898 [0,1,0,0,0,1|2,0,0]=4 1118 B12R1.49 N#CC(F)Sc1ccc(nc1)Br 62a_200000117898_100009814638 [0,1,0,0,0,1|2,0,0]=4 1119 B12R1.49 N#CC(F)Sc1ccc(nc1)Cl 62a_100000034144_200000117898 [0,1,0,0,0,1|2,0,0]=4 1120 B12R1.49 N#CC(F)Sc1ccc(nc1)Cl 62a_200000117898_100000034144 [0,1,0,0,0,1|2,0,0]=4 1121 B12R1.49 N#CC(F)Sc1ccc(nc1)F 62a_100000042367_200000117898 [0,1,0,0,0,1|2,0,0]=4 1122 B12R1.49 N#CC(F)Sc1ccc(nc1)F 62a_200000117898_100000042367 [0,1,0,0,0,1|2,0,0]=4 1123 B12R1.49 N#CC(F)Sc1ccc(nc1)N 62a_100000187370_200000117898 [0,1,0,0,0,1|2,0,0]=4 1124 B12R1.49 N#CC(F)Sc1ccc(nc1)N 62a_200000117898_100000187370 [0,1,0,0,0,1|2,0,0]=4 1125 B12R1.50 C#CC(C)Nc1cccc(c1)Br 34a_100000210019_200000035995 [0,1,0,0,0,1|2,0,0]=4 1126 B12R1.50 C#CC(C)Nc1cccc(c1)C 34a_100000188690_200000035995 [0,1,0,0,0,1|2,0,0]=4 1127 B12R1.50 C#CC(C)Nc1cccc(c1)Cl 34a_100000185859_200000035995 [0,1,0,0,0,1|2,0,0]=4 1128 B12R1.50 C#CC(C)Nc1cccc(c1)F 34a_100000210047_200000035995 [0,1,0,0,0,1|2,0,0]=4 1129 B12R1.50 C#CC(C)Nc1cccc(c1)I 34a_100000211102_200000035995 [0,1,0,0,0,1|2,0,0]=4 1130 B12R1.50 C#CC(C)Nc1cccc(c1)O 34a_100000210217_200000035995 [0,1,0,0,0,1|2,0,0]=4 1131 B12R1.50 C#CC(C)Oc1cccc(c1)Br 34a_100000210342_200000035995 [0,1,0,0,0,1|2,0,0]=4 1132 B12R1.50 C#CC(C)Oc1cccc(c1)C 34a_100000210337_200000035995 [0,1,0,0,0,1|2,0,0]=4 1133 B12R1.50 C#CC(C)Oc1cccc(c1)Cl 34a_100000210295_200000035995 [0,1,0,0,0,1|2,0,0]=4 1134 B12R1.50 C#CC(C)Oc1cccc(c1)F 34a_100000210426_200000035995 [0,1,0,0,0,1|2,0,0]=4 1135 B12R1.50 C#CC(C)Oc1cccc(c1)I 34a_100000211634_200000035995 [0,1,0,0,0,1|2,0,0]=4 1136 B12R1.50 C#CC(C)Oc1cccc(c1)N 34a_100000210217_200000035995 [0,1,0,0,0,1|2,0,0]=4 1137 B12R1.50 C#CC(C)Sc1cccc(c1)Br 62a_200000035995_100000691529 [0,1,0,0,0,1|2,0,0]=4 1138 B12R1.50 C#CC(C)Sc1cccc(c1)C 62a_200000035995_100011215228 [0,1,0,0,0,1|2,0,0]=4 1139 B12R1.50 C#CC(C)Sc1cccc(c1)Cl 62a_200000035995_100000699651 [0,1,0,0,0,1|2,0,0]=4 1140 B12R1.50 C#CC(C)Sc1cccc(c1)F 62a_200000035995_100000685547 [0,1,0,0,0,1|2,0,0]=4 1141 B12R1.50 C#CC(C)Sc1cccc(c1)N 62a_200000035995_100000210019 [0,1,0,0,0,1|2,0,0]=4 1142 B12R1.50 C#CC(C)Sc1cccc(c1)O 62a_200000035995_100000211634 [0,1,0,0,0,1|2,0,0]=4 1143 B12R1.50 C#CC(C)Sc1cccc(c1)[S] 62a_200000035995_114929384022 [0,1,0,0,0,1|2,0,0]=4 1144 B12R1.50 CC(=Cc1cccc(c1)Br)C#N 6a_100000210085_200000212204 [0,1,0,0,0,1|1,0,1]=4 1145 B12R1.50 CC(=Cc1cccc(c1)F)C#N 6a_100000210812_200000212204 [0,1,0,0,0,1|1,0,1]=4 1146 B12R1.50 CC(=Cc1cccc(c1)I)C#N 6a_100000014684_200000212204 [0,1,0,0,0,1|1,0,1]=4 1147 B12R1.50 CC(C#N)Oc1ccc[n+](c1)[O-] 7a_100000039713_100000703298 [0,1,0,0,0,1|2,0,0]=4 1148 B12R1.50 CC(C#N)Oc1cccc(c1)Br 7a_100000210342_100000703298 [0,1,0,0,0,1|1,0,0]=3 1149 B12R1.50 CC(C#N)Oc1cccc(c1)Cl 7a_100000210295_100000703298 [0,1,0,0,0,1|1,0,0]=3 1150 B12R1.50 CC(C#N)Oc1cccc(c1)F 7a_100000210426_100000703298 [0,1,0,0,0,1|1,0,0]=3 1151 B12R1.50 CC(C#N)Oc1cccc(c1)I 7a_100000211634_100000703298 [0,1,0,0,0,1|1,0,0]=3 1152 B12R1.50 CC(C#N)Oc1cncc(c1)Br 7a_100000754920_100000703298 [0,1,0,0,0,1|2,0,0]=4 1153 B12R1.50 CC(C#N)Oc1cncc(c1)Cl 7a_100000032511_100000703298 [0,1,0,0,0,1|2,0,0]=4 1154 B12R1.50 CC(C#N)Oc1cncc(c1)F 7a_100011830296_100000703298 [0,1,0,0,0,1|2,0,0]=4 1155 B12R1.50 CC(C#N)Sc1cc(=O)cc[nH]1 62a_100009817434_100000703298 [0,1,0,0,0,1|2,0,0]=4 1156 B12R1.50 CC(C#N)Sc1cc(ccn1)Cl 62a_100000703298_100010167805 [0,1,0,0,0,1|2,0,0]=4 1157 B12R1.50 CC(C#N)Sc1cc(ccn1)Cl 62a_100010167805_100000703298 [0,1,0,0,0,1|2,0,0]=4 1158 B12R1.50 CC(C#N)Sc1cc(ccn1)F 62a_100000703298_100000764206 [0,1,0,0,0,1|2,0,0]=4 1159 B12R1.50 CC(C#N)Sc1cc(ccn1)F 62a_100000764206_100000703298 [0,1,0,0,0,1|2,0,0]=4 1160 B12R1.50 CC(C#N)Sc1cc(ccn1)N 62a_100000703298_100009814236 [0,1,0,0,0,1|2,0,0]=4 1161 B12R1.50 CC(C#N)Sc1cc(ccn1)N 62a_100009814236_100000703298 [0,1,0,0,0,1|2,0,0]=4 1162 B12R1.50 CC(C#N)Sc1cc(ccn1)O 62a_100000703298_100000762945 [0,1,0,0,0,1|2,0,0]=4 1163 B12R1.50 CC(C#N)Sc1cc[nH]c(=O)c1 62a_100000703298_100009816521 [0,1,0,0,0,1|2,0,0]=4 1164 B12R1.50 CC(C#N)Sc1cc[nH]c(=O)c1 62a_100009816521_100000703298 [0,1,0,0,0,1|2,0,0]=4 1165 B12R1.50 CC(C#N)Sc1ccc[n+](c1)C 62a_100000703298_100009996589 [0,1,0,0,0,1|2,0,0]=4 1166 B12R1.50 CC(C#N)Sc1ccc[n+](c1)C 62a_100009996589_100000703298 [0,1,0,0,0,1|2,0,0]=4 1167 B12R1.50 CC(C#N)Sc1ccc[n+](c1)[O-] 62a_100000703298_100009815978 [0,1,0,0,0,1|2,0,0]=4 1168 B12R1.50 CC(C#N)Sc1cccc(=O)[nH]1 62a_100000703298_100000752884 [0,1,0,0,0,1|2,0,0]=4 1169 B12R1.50 CC(C#N)Sc1cccc(c1)Br 62a_100000691529_100000703298 [0,1,0,0,0,1|1,0,0]=3 1170 B12R1.50 CC(C#N)Sc1cccc(c1)Br 62a_100000703298_100000691529 [0,1,0,0,0,1|1,0,0]=3 1171 B12R1.50 CC(C#N)Sc1cccc(c1)Cl 62a_100000699651_100000703298 [0,1,0,0,0,1|1,0,0]=3 1172 B12R1.50 CC(C#N)Sc1cccc(c1)Cl 62a_100000703298_100000699651 [0,1,0,0,0,1|1,0,0]=3 1173 B12R1.50 CC(C#N)Sc1cccc(c1)F 62a_100000685547_100000703298 [0,1,0,0,0,1|1,0,0]=3 1174 B12R1.50 CC(C#N)Sc1cccc(c1)F 62a_100000703298_100000685547 [0,1,0,0,0,1|1,0,0]=3 1175 B12R1.50 CC(C#N)Sc1cccc(c1)N 62a_100000210019_100000703298 [0,1,0,0,0,1|1,0,0]=3 1176 B12R1.50 CC(C#N)Sc1cccc(c1)N 62a_100000703298_100000210019 [0,1,0,0,0,1|1,0,0]=3 1177 B12R1.50 CC(C#N)Sc1cccc(c1)O 62a_100000703298_100000211634 [0,1,0,0,0,1|1,0,0]=3 1178 B12R1.50 CC(C#N)Sc1cccc(c1)[S] 62a_100000703298_114929384022 [0,1,0,0,0,1|1,0,0]=3 1179 B12R1.50 CC(C#N)Sc1cccc(c1)[S] 62a_114929384022_100000703298 [0,1,0,0,0,1|1,0,0]=3 1180 B12R1.50 CC(C#N)Sc1cccc(n1)Br 62a_100000684672_100000703298 [0,1,0,0,0,1|2,0,0]=4 1181 B12R1.50 CC(C#N)Sc1cccc(n1)Br 62a_100000703298_100000684672 [0,1,0,0,0,1|2,0,0]=4 1182 B12R1.50 CC(C#N)Sc1cccc(n1)Cl 62a_100000051397_100000703298 [0,1,0,0,0,1|2,0,0]=4 1183 B12R1.50 CC(C#N)Sc1cccc(n1)Cl 62a_100000703298_100000051397 [0,1,0,0,0,1|2,0,0]=4 1184 B12R1.50 CC(C#N)Sc1cccc(n1)F 62a_100000703298_100009815982 [0,1,0,0,0,1|2,0,0]=4 1185 B12R1.50 CC(C#N)Sc1cccc(n1)F 62a_100009815982_100000703298 [0,1,0,0,0,1|2,0,0]=4 1186 B12R1.50 CC(C#N)Sc1cccc(n1)N 62a_100000703298_100000740741 [0,1,0,0,0,1|2,0,0]=4 1187 B12R1.50 CC(C#N)Sc1cccc(n1)N 62a_100000740741_100000703298 [0,1,0,0,0,1|2,0,0]=4 1188 B12R1.50 CC(C#N)Sc1ccnc(c1)Br 62a_100000703298_100009814637 [0,1,0,0,0,1|2,0,0]=4 1189 B12R1.50 CC(C#N)Sc1ccnc(c1)Br 62a_100009814637_100000703298 [0,1,0,0,0,1|2,0,0]=4 1190 B12R1.50 CC(C#N)Sc1ccnc(c1)Cl 62a_100000035001_100000703298 [0,1,0,0,0,1|2,0,0]=4 1191 B12R1.50 CC(C#N)Sc1ccnc(c1)Cl 62a_100000703298_100000035001 [0,1,0,0,0,1|2,0,0]=4 1192 B12R1.50 CC(C#N)Sc1ccnc(c1)F 62a_100000703298_100009816116 [0,1,0,0,0,1|2,0,0]=4 1193 B12R1.50 CC(C#N)Sc1ccnc(c1)F 62a_100009816116_100000703298 [0,1,0,0,0,1|2,0,0]=4 1194 B12R1.50 CC(C#N)Sc1ccnc(c1)N 62a_100000049665_100000703298 [0,1,0,0,0,1|2,0,0]=4 1195 B12R1.50 CC(C#N)Sc1ccnc(c1)N 62a_100000703298_100000049665 [0,1,0,0,0,1|2,0,0]=4 1196 B12R1.50 CC(C#N)Sc1cncc(c1)Br 62a_100000703298_100000728054 [0,1,0,0,0,1|2,0,0]=4 1197 B12R1.50 CC(C#N)Sc1cncc(c1)Br 62a_100000728054_100000703298 [0,1,0,0,0,1|2,0,0]=4 1198 B12R1.50 CC(C#N)Sc1cncc(c1)Cl 62a_100000049639_100000703298 [0,1,0,0,0,1|2,0,0]=4 1199 B12R1.50 CC(C#N)Sc1cncc(c1)Cl 62a_100000703298_100000049639 [0,1,0,0,0,1|2,0,0]=4 1200 B12R1.50 CC(C#N)Sc1cncc(c1)F 62a_100000703298_100000744099 [0,1,0,0,0,1|2,0,0]=4 1201 B12R1.50 CC(C#N)Sc1cncc(c1)F 62a_100000744099_100000703298 [0,1,0,0,0,1|2,0,0]=4 1202 B12R1.50 CC(C#N)Sc1cncc(c1)N 62a_100000687067_100000703298 [0,1,0,0,0,1|2,0,0]=4 1203 B12R1.50 CC(C#N)Sc1cncc(c1)N 62a_100000703298_100000687067 [0,1,0,0,0,1|2,0,0]=4 1204 B12R1.50 CC(C#N)Sc1cncc(c1)O 62a_100000703298_100000754920 [0,1,0,0,0,1|2,0,0]=4 1205 B12R1.50 CC(C#N)Sc1cncc(c1)O 62a_100000754920_100000703298 [0,1,0,0,0,1|2,0,0]=4 1206 B12R1.50 C[n+]1cccc(c1)SC(F)C#N 62a_100009996589_200000117898 [0,1,0,0,0,1|2,0,0]=4 1207 B12R1.50 C[n+]1cccc(c1)SC(F)C#N 62a_200000117898_100009996589 [0,1,0,0,0,1|2,0,0]=4 1208 B12R1.50 Cc1cc(ccn1)SC(C)C#N 62a_100000703298_100000758586 [0,1,0,0,0,1|2,0,0]=4 1209 B12R1.50 Cc1cc(ccn1)SC(C)C#N 62a_100000758586_100000703298 [0,1,0,0,0,1|2,0,0]=4 1210 B12R1.50 Cc1cc(ccn1)SC(F)C#N 62a_100000758586_200000117898 [0,1,0,0,0,1|2,0,0]=4 1211 B12R1.50 Cc1cc(ccn1)SC(F)C#N 62a_200000117898_100000758586 [0,1,0,0,0,1|2,0,0]=4 1212 B12R1.50 Cc1cccc(c1)NC(C)C#N 2230a_100000188690_100000184139 [0,1,0,0,0,1|1,0,0]=3 1213 B12R1.50 Cc1cccc(c1)OC(C)C#N 7a_100000210337_100000703298 [0,1,0,0,0,1|1,0,0]=3 1214 B12R1.50 Cc1cccc(c1)SC(C)C#N 62a_100000703298_100011215228 [0,1,0,0,0,1|1,0,0]=3 1215 B12R1.50 Cc1cccc(c1)SC(C)C#N 62a_100011215228_100000703298 [0,1,0,0,0,1|1,0,0]=3 1216 B12R1.50 Cc1cccc(c1)SC(F)C#N 62a_100011215228_200000117898 [0,1,0,0,0,1|1,0,0]=3 1217 B12R1.50 Cc1cccc(c1)SC(F)C#N 62a_200000117898_100011215228 [0,1,0,0,0,1|1,0,0]=3 1218 B12R1.50 Cc1cccc(n1)SC(C)C#N 62a_100000703298_100000742759 [0,1,0,0,0,1|2,0,0]=4 1219 B12R1.50 Cc1cccc(n1)SC(C)C#N 62a_100000742759_100000703298 [0,1,0,0,0,1|2,0,0]=4 1220 B12R1.50 Cc1cccc(n1)SC(F)C#N 62a_100000742759_200000117898 [0,1,0,0,0,1|2,0,0]=4 1221 B12R1.50 Cc1cccc(n1)SC(F)C#N 62a_200000117898_100000742759 [0,1,0,0,0,1|2,0,0]=4 1222 B12R1.50 Cc1ccnc(c1)SC(C)C#N 62a_100000703298_100000750283 [0,1,0,0,0,1|2,0,0]=4 1223 B12R1.50 Cc1ccnc(c1)SC(C)C#N 62a_100000750283_100000703298 [0,1,0,0,0,1|2,0,0]=4 1224 B12R1.50 Cc1ccnc(c1)SC(F)C#N 62a_100000750283_200000117898 [0,1,0,0,0,1|2,0,0]=4 1225 B12R1.50 Cc1ccnc(c1)SC(F)C#N 62a_200000117898_100000750283 [0,1,0,0,0,1|2,0,0]=4 1226 B12R1.50 Cc1cncc(c1)OC(C)C#N 7a_100011830280_100000703298 [0,1,0,0,0,1|2,0,0]=4 1227 B12R1.50 Cc1cncc(c1)SC(C)C#N 62a_100000703298_100000760492 [0,1,0,0,0,1|2,0,0]=4 1228 B12R1.50 Cc1cncc(c1)SC(C)C#N 62a_100000760492_100000703298 [0,1,0,0,0,1|2,0,0]=4 1229 B12R1.50 Cc1cncc(c1)SC(F)C#N 62a_100000760492_200000117898 [0,1,0,0,0,1|2,0,0]=4 1230 B12R1.50 Cc1cncc(c1)SC(F)C#N 62a_200000117898_100000760492 [0,1,0,0,0,1|2,0,0]=4 1231 B12R1.50 N#CC(=Cc1cccc(c1)Br)F 6a_100000210085_200000032654 [0,1,0,0,0,1|1,0,1]=4 1232 B12R1.50 N#CC(=Cc1cccc(c1)F)F 6a_100000210812_200000032654 [0,1,0,0,0,1|1,0,1]=4 1233 B12R1.50 N#CC(=Cc1cccc(c1)I)F 6a_100000014684_200000032654 [0,1,0,0,0,1|1,0,1]=4 1234 B12R1.50 N#CC(F)Sc1cc(=O)cc[nH]1 62a_100009817434_200000117898 [0,1,0,0,0,1|2,0,0]=4 1235 B12R1.50 N#CC(F)Sc1cc(ccn1)Cl 62a_100010167805_200000117898 [0,1,0,0,0,1|2,0,0]=4 1236 B12R1.50 N#CC(F)Sc1cc(ccn1)Cl 62a_200000117898_100010167805 [0,1,0,0,0,1|2,0,0]=4 1237 B12R1.50 N#CC(F)Sc1cc(ccn1)F 62a_100000764206_200000117898 [0,1,0,0,0,1|2,0,0]=4 1238 B12R1.50 N#CC(F)Sc1cc(ccn1)F 62a_200000117898_100000764206 [0,1,0,0,0,1|2,0,0]=4 1239 B12R1.50 N#CC(F)Sc1cc(ccn1)N 62a_100009814236_200000117898 [0,1,0,0,0,1|2,0,0]=4 1240 B12R1.50 N#CC(F)Sc1cc(ccn1)N 62a_200000117898_100009814236 [0,1,0,0,0,1|2,0,0]=4 1241 B12R1.50 N#CC(F)Sc1cc(ccn1)O 62a_200000117898_100000762945 [0,1,0,0,0,1|2,0,0]=4 1242 B12R1.50 N#CC(F)Sc1cc[nH]c(=O)c1 62a_100009816521_200000117898 [0,1,0,0,0,1|2,0,0]=4 1243 B12R1.50 N#CC(F)Sc1cc[nH]c(=O)c1 62a_200000117898_100009816521 [0,1,0,0,0,1|2,0,0]=4 1244 B12R1.50 N#CC(F)Sc1ccc[n+](c1)[O-] 62a_200000117898_100009815978 [0,1,0,0,0,1|2,0,0]=4 1245 B12R1.50 N#CC(F)Sc1cccc(=O)[nH]1 62a_200000117898_100000752884 [0,1,0,0,0,1|2,0,0]=4 1246 B12R1.50 N#CC(F)Sc1cccc(c1)Br 62a_100000691529_200000117898 [0,1,0,0,0,1|1,0,0]=3 1247 B12R1.50 N#CC(F)Sc1cccc(c1)Br 62a_200000117898_100000691529 [0,1,0,0,0,1|1,0,0]=3 1248 B12R1.50 N#CC(F)Sc1cccc(c1)Cl 62a_100000699651_200000117898 [0,1,0,0,0,1|1,0,0]=3 1249 B12R1.50 N#CC(F)Sc1cccc(c1)Cl 62a_200000117898_100000699651 [0,1,0,0,0,1|1,0,0]=3 1250 B12R1.50 N#CC(F)Sc1cccc(c1)F 62a_100000685547_200000117898 [0,1,0,0,0,1|1,0,0]=3 1251 B12R1.50 N#CC(F)Sc1cccc(c1)F 62a_200000117898_100000685547 [0,1,0,0,0,1|1,0,0]=3 1252 B12R1.50 N#CC(F)Sc1cccc(c1)N 62a_100000210019_200000117898 [0,1,0,0,0,1|1,0,0]=3 1253 B12R1.50 N#CC(F)Sc1cccc(c1)N 62a_200000117898_100000210019 [0,1,0,0,0,1|1,0,0]=3 1254 B12R1.50 N#CC(F)Sc1cccc(c1)O 62a_200000117898_100000211634 [0,1,0,0,0,1|1,0,0]=3 1255 B12R1.50 N#CC(F)Sc1cccc(c1)[S] 62a_114929384022_200000117898 [0,1,0,0,0,1|1,0,0]=3 1256 B12R1.50 N#CC(F)Sc1cccc(c1)[S] 62a_200000117898_114929384022 [0,1,0,0,0,1|1,0,0]=3 1257 B12R1.50 N#CC(F)Sc1cccc(n1)Br 62a_100000684672_200000117898 [0,1,0,0,0,1|2,0,0]=4 1258 B12R1.50 N#CC(F)Sc1cccc(n1)Br 62a_200000117898_100000684672 [0,1,0,0,0,1|2,0,0]=4 1259 B12R1.50 N#CC(F)Sc1cccc(n1)Cl 62a_100000051397_200000117898 [0,1,0,0,0,1|2,0,0]=4 1260 B12R1.50 N#CC(F)Sc1cccc(n1)Cl 62a_200000117898_100000051397 [0,1,0,0,0,1|2,0,0]=4 1261 B12R1.50 N#CC(F)Sc1cccc(n1)F 62a_100009815982_200000117898 [0,1,0,0,0,1|2,0,0]=4 1262 B12R1.50 N#CC(F)Sc1cccc(n1)F 62a_200000117898_100009815982 [0,1,0,0,0,1|2,0,0]=4 1263 B12R1.50 N#CC(F)Sc1cccc(n1)N 62a_100000740741_200000117898 [0,1,0,0,0,1|2,0,0]=4 1264 B12R1.50 N#CC(F)Sc1cccc(n1)N 62a_200000117898_100000740741 [0,1,0,0,0,1|2,0,0]=4 1265 B12R1.50 N#CC(F)Sc1ccnc(c1)Br 62a_100009814637_200000117898 [0,1,0,0,0,1|2,0,0]=4 1266 B12R1.50 N#CC(F)Sc1ccnc(c1)Br 62a_200000117898_100009814637 [0,1,0,0,0,1|2,0,0]=4 1267 B12R1.50 N#CC(F)Sc1ccnc(c1)Cl 62a_100000035001_200000117898 [0,1,0,0,0,1|2,0,0]=4 1268 B12R1.50 N#CC(F)Sc1ccnc(c1)Cl 62a_200000117898_100000035001 [0,1,0,0,0,1|2,0,0]=4 1269 B12R1.50 N#CC(F)Sc1ccnc(c1)F 62a_100009816116_200000117898 [0,1,0,0,0,1|2,0,0]=4 1270 B12R1.50 N#CC(F)Sc1ccnc(c1)F 62a_200000117898_100009816116 [0,1,0,0,0,1|2,0,0]=4 1271 B12R1.50 N#CC(F)Sc1ccnc(c1)N 62a_100000049665_200000117898 [0,1,0,0,0,1|2,0,0]=4 1272 B12R1.50 N#CC(F)Sc1ccnc(c1)N 62a_200000117898_100000049665 [0,1,0,0,0,1|2,0,0]=4 1273 B12R1.50 N#CC(F)Sc1cncc(c1)Br 62a_100000728054_200000117898 [0,1,0,0,0,1|2,0,0]=4 1274 B12R1.50 N#CC(F)Sc1cncc(c1)Br 62a_200000117898_100000728054 [0,1,0,0,0,1|2,0,0]=4 1275 B12R1.50 N#CC(F)Sc1cncc(c1)Cl 62a_100000049639_200000117898 [0,1,0,0,0,1|2,0,0]=4 1276 B12R1.50 N#CC(F)Sc1cncc(c1)Cl 62a_200000117898_100000049639 [0,1,0,0,0,1|2,0,0]=4 1277 B12R1.50 N#CC(F)Sc1cncc(c1)F 62a_100000744099_200000117898 [0,1,0,0,0,1|2,0,0]=4 1278 B12R1.50 N#CC(F)Sc1cncc(c1)F 62a_200000117898_100000744099 [0,1,0,0,0,1|2,0,0]=4 1279 B12R1.50 N#CC(F)Sc1cncc(c1)N 62a_100000687067_200000117898 [0,1,0,0,0,1|2,0,0]=4 1280 B12R1.50 N#CC(F)Sc1cncc(c1)N 62a_200000117898_100000687067 [0,1,0,0,0,1|2,0,0]=4 1281 B12R1.50 N#CC(F)Sc1cncc(c1)O 62a_100000754920_200000117898 [0,1,0,0,0,1|2,0,0]=4 1282 B12R1.50 N#CC(F)Sc1cncc(c1)O 62a_200000117898_100000754920 [0,1,0,0,0,1|2,0,0]=4 1283 B12R1.118 C#CC(Cc1ccccc1)OC 34a_100000685211_200000210301 [0,1,0,0,0,1|1,0,0]=3 1284 B12R1.118 C#CC(Cc1ccccc1)OC 7a_100000685211_200000210301 [0,1,0,0,0,1|1,0,0]=3 1285 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 34a_100000685211_200025704644 [0,1,0,0,0,1|1,0,0]=3 1286 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 7a_100000685211_200025704644 [0,1,0,0,0,1|1,0,0]=3 1287 B12R1.118 CCC(Cc1ccccc1)OC 7a_100000760156_200000210301 [0,1,0,0,0,1|1,0,1]=4 1288 B12R1.118 CCC(Cc1ccccc1)O[13CH3] 7a_100000760156_200025704644 [0,1,0,0,0,1|1,0,1]=4 1289 B12R1.118 CNC(C#N)Cc1ccccc1 2230a_100000746547_200000210301 [0,1,0,0,0,1|1,0,0]=3 1290 B12R1.118 CNC(C#N)Cc1ccccc1 7a_106832991635_100000183401 [0,1,0,0,0,1|1,0,0]=3 1291 B12R1.118 CNC(CO)Cc1ccccc1 2230a_100000739027_200000210301 [0,1,0,0,0,1|2,0,0]=4 1292 B12R1.118 COC(CN)Cc1ccccc1 34a_100000752270_200000210301 [0,1,0,0,0,1|0,0,2]=4 1293 B12R1.118 CO[C@H](CCl)Cc1ccccc1 7a_100000729385_200000210301 [0,1,0,0,0,1|1,0,1]=4 1294 B12R1.118 CSC(C#N)Cc1ccccc1 62a_100000183401_200000210301 [0,1,0,0,0,1|0,1,0]=3 1295 B12R1.118 CSC(C#N)Cc1ccccc1 62a_200000210301_100000183401 [0,1,0,0,0,1|0,1,0]=3 1296 B12R1.118 N#CC(C#N)Sc1ccccc1 62a_100000719477_100000722193 [0,1,0,0,0,1|1,0,0]=3 1297 B12R1.118 N#CC(C#N)Sc1ccccc1 62a_100000722193_100000041952 [0,1,0,0,0,1|1,0,0]=3 1298 B12R1.118 N#CC(C#N)Sc1ccccn1 62a_100000722193_100011216584 [0,1,0,0,0,1|2,0,0]=4 1299 B12R1.118 N#CC(C#N)Sc1ccccn1 62a_100011216584_100000722193 [0,1,0,0,0,1|2,0,0]=4 1300 B12R1.118 N#CC(C#N)Sc1cccnc1 62a_100000210063_100000722193 [0,1,0,0,0,1|2,0,0]=4 1301 B12R1.118 N#CC(C#N)Sc1cccnc1 62a_100000722193_100000210063 [0,1,0,0,0,1|2,0,0]=4 1302 B12R1.118 N#CC(C#N)Sc1ccncc1 62a_100000722193_100000728582 [0,1,0,0,0,1|2,0,0]=4 1303 B12R1.118 N#CC(C#N)Sc1ccncc1 62a_100000728582_100000722193 [0,1,0,0,0,1|2,0,0]=4 1304 B12R1.118 [13CH3]NC(C#N)Cc1ccccc1 2230a_100000746547_200025704644 [0,1,0,0,0,1|1,0,0]=3 1305 B12R1.118 [13CH3]NC(CO)Cc1ccccc1 2230a_100000739027_200025704644 [0,1,0,0,0,1|2,0,0]=4 1306 B12R1.118 [13CH3]OC(CN)Cc1ccccc1 34a_100000752270_200025704644 [0,1,0,0,0,1|0,0,2]=4 1307 B12R1.118 [13CH3]O[C@H](CCl)Cc1ccccc1 7a_100000729385_200025704644 [0,1,0,0,0,1|1,0,1]=4 1308 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_100000183401_200025704644 [0,1,0,0,0,1|0,1,0]=3 1309 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_200025704644_100000183401 [0,1,0,0,0,1|0,1,0]=3 1310 B12R1.194 C#CC(C)(C)Nc1ccccc1 34a_100000106764_100000038118 [0,1,0,0,0,1|2,0,0]=4 1311 B12R1.194 C#CC(C)(C)Oc1ccccc1 34a_100000210340_100000038118 [0,1,0,0,0,1|2,0,0]=4 1312 B12R1.194 C#CC(C)(C)Sc1ccccc1 62a_100000038118_100000041952 [0,1,0,0,0,1|2,0,0]=4 1313 B12R1.194 C#CC(C)(C)Sc1ccccc1 62a_100000719477_100000038118 [0,1,0,0,0,1|2,0,0]=4 1314 B12R1.194 CC(C)(C#N)Nc1ccccc1 34a_100000106764_100011162410 [0,1,0,0,0,1|1,0,0]=3 1315 B12R1.194 CC(C)(C#N)Oc1ccccc1 34a_100000210340_100011162410 [0,1,0,0,0,1|1,0,0]=3 1316 B12R1.194 CC(C)(C#N)Oc1ccccc1 7a_100000210340_100011162410 [0,1,0,0,0,1|1,0,0]=3 1317 B12R1.194 CC(C)(C#N)Oc1cccnc1 34a_100000210849_100011162410 [0,1,0,0,0,1|2,0,0]=4 1318 B12R1.194 CC(C)(C#N)Oc1cccnc1 7a_100000210849_100011162410 [0,1,0,0,0,1|2,0,0]=4 1319 B12R1.194 CC(C)(C#N)Oc1ccncc1 34a_100000212176_100011162410 [0,1,0,0,0,1|2,0,0]=4 1320 B12R1.194 CC(C)(C#N)Sc1ccccc1 62a_100000719477_100011162410 [0,1,0,0,0,1|1,0,0]=3 1321 B12R1.194 CC(C)(C#N)Sc1ccccc1 62a_100011162410_100000041952 [0,1,0,0,0,1|1,0,0]=3 1322 B12R1.194 CC(C)(C#N)Sc1ccccn1 62a_100011162410_100011216584 [0,1,0,0,0,1|2,0,0]=4 1323 B12R1.194 CC(C)(C#N)Sc1ccccn1 62a_100011216584_100011162410 [0,1,0,0,0,1|2,0,0]=4 1324 B12R1.194 CC(C)(C#N)Sc1cccnc1 62a_100000210063_100011162410 [0,1,0,0,0,1|2,0,0]=4 1325 B12R1.194 CC(C)(C#N)Sc1cccnc1 62a_100011162410_100000210063 [0,1,0,0,0,1|2,0,0]=4 1326 B12R1.194 CC(C)(C#N)Sc1ccncc1 62a_100000728582_100011162410 [0,1,0,0,0,1|2,0,0]=4 1327 B12R1.194 CC(C)(C#N)Sc1ccncc1 62a_100011162410_100000728582 [0,1,0,0,0,1|2,0,0]=4 1328 B12R1.371 C#CC(C)Nc1ccccc1Br 34a_100000210017_200000035995 [0,1,0,0,0,1|2,0,0]=4 1329 B12R1.371 C#CC(C)Nc1ccccc1C 34a_100015192222_200000035995 [0,1,0,0,0,1|2,0,0]=4 1330 B12R1.371 C#CC(C)Nc1ccccc1Cl 34a_100000185783_200000035995 [0,1,0,0,0,1|2,0,0]=4 1331 B12R1.371 C#CC(C)Nc1ccccc1F 34a_100000210422_200000035995 [0,1,0,0,0,1|2,0,0]=4 1332 B12R1.371 C#CC(C)Nc1ccccc1I 34a_100000210053_200000035995 [0,1,0,0,0,1|2,0,0]=4 1333 B12R1.371 C#CC(C)Nc1ccccc1O 34a_100000185747_200000035995 [0,1,0,0,0,1|2,0,0]=4 1334 B12R1.371 C#CC(C)Oc1ccccc1Br 34a_100000181306_200000035995 [0,1,0,0,0,1|2,0,0]=4 1335 B12R1.371 C#CC(C)Oc1ccccc1C 34a_100000210338_200000035995 [0,1,0,0,0,1|2,0,0]=4 1336 B12R1.371 C#CC(C)Oc1ccccc1Cl 34a_100000210172_200000035995 [0,1,0,0,0,1|2,0,0]=4 1337 B12R1.371 C#CC(C)Oc1ccccc1F 34a_100000210171_200000035995 [0,1,0,0,0,1|2,0,0]=4 1338 B12R1.371 C#CC(C)Oc1ccccc1I 34a_100000739446_200000035995 [0,1,0,0,0,1|2,0,0]=4 1339 B12R1.371 C#CC(C)Oc1ccccc1N 34a_100000185747_200000035995 [0,1,0,0,0,1|2,0,0]=4 1340 B12R1.371 C#CC(C)Sc1ccccc1Br 62a_200000035995_100000695589 [0,1,0,0,0,1|2,0,0]=4 1341 B12R1.371 C#CC(C)Sc1ccccc1C 62a_200000035995_100000210755 [0,1,0,0,0,1|2,0,0]=4 1342 B12R1.371 C#CC(C)Sc1ccccc1Cl 62a_200000035995_100000764095 [0,1,0,0,0,1|2,0,0]=4 1343 B12R1.371 C#CC(C)Sc1ccccc1F 62a_200000035995_100011215700 [0,1,0,0,0,1|2,0,0]=4 1344 B12R1.371 C#CC(C)Sc1ccccc1N 62a_200000035995_100000210017 [0,1,0,0,0,1|2,0,0]=4 1345 B12R1.371 C#CC(C)Sc1ccccc1O 62a_200000035995_100000739446 [0,1,0,0,0,1|2,0,0]=4 1346 B12R1.371 CC(C#N)Oc1cccc[n+]1[O-] 7a_100000211761_100000703298 [0,1,0,0,0,1|2,0,0]=4 1347 B12R1.371 CC(C#N)Oc1ccccc1Br 7a_100000181306_100000703298 [0,1,0,0,0,1|1,0,0]=3 1348 B12R1.371 CC(C#N)Oc1ccccc1Cl 7a_100000210172_100000703298 [0,1,0,0,0,1|1,0,0]=3 1349 B12R1.371 CC(C#N)Oc1ccccc1F 7a_100000210171_100000703298 [0,1,0,0,0,1|1,0,0]=3 1350 B12R1.371 CC(C#N)Oc1ccccc1I 7a_100000739446_100000703298 [0,1,0,0,0,1|1,0,0]=3 1351 B12R1.371 CC(C#N)Oc1ccccc1N 7a_100000185747_100000703298 [0,1,0,0,0,1|1,0,0]=3 1352 B12R1.371 CC(C#N)Oc1cccnc1Br 7a_100000744436_100000703298 [0,1,0,0,0,1|2,0,0]=4 1353 B12R1.371 CC(C#N)Oc1cccnc1Cl 7a_100000757616_100000703298 [0,1,0,0,0,1|2,0,0]=4 1354 B12R1.371 CC(C#N)Oc1cccnc1F 7a_100000061740_100000703298 [0,1,0,0,0,1|2,0,0]=4 1355 B12R1.371 CC(C#N)Oc1cccnc1I 7a_100000034122_100000703298 [0,1,0,0,0,1|2,0,0]=4 1356 B12R1.371 CC(C#N)Oc1cccnc1N 7a_100000211975_100000703298 [0,1,0,0,0,1|2,0,0]=4 1357 B12R1.371 CC(C#N)Oc1cccoc1=O 7a_100000077404_100000703298 [0,1,0,0,0,1|2,0,0]=4 1358 B12R1.371 CC(C#N)Sc1c[nH]ccc1=O 62a_100000703298_100009998708 [0,1,0,0,0,1|2,0,0]=4 1359 B12R1.371 CC(C#N)Sc1c[nH]ccc1=O 62a_100009998708_100000703298 [0,1,0,0,0,1|2,0,0]=4 1360 B12R1.371 CC(C#N)Sc1c[nH]ccc1=S 62a_100000703298_200012280681 [0,1,0,0,0,1|2,0,0]=4 1361 B12R1.371 CC(C#N)Sc1c[nH]ccc1=S 62a_200012280681_100000703298 [0,1,0,0,0,1|2,0,0]=4 1362 B12R1.371 CC(C#N)Sc1cccc[n+]1C 62a_100000703298_100000212160 [0,1,0,0,0,1|2,0,0]=4 1363 B12R1.371 CC(C#N)Sc1cccc[n+]1[O-] 62a_100000703298_200000042595 [0,1,0,0,0,1|2,0,0]=4 1364 B12R1.371 CC(C#N)Sc1ccccc1Br 62a_100000695589_100000703298 [0,1,0,0,0,1|1,0,0]=3 1365 B12R1.371 CC(C#N)Sc1ccccc1Br 62a_100000703298_100000695589 [0,1,0,0,0,1|1,0,0]=3 1366 B12R1.371 CC(C#N)Sc1ccccc1Cl 62a_100000703298_100000764095 [0,1,0,0,0,1|1,0,0]=3 1367 B12R1.371 CC(C#N)Sc1ccccc1Cl 62a_100000764095_100000703298 [0,1,0,0,0,1|1,0,0]=3 1368 B12R1.371 CC(C#N)Sc1ccccc1F 62a_100000703298_100011215700 [0,1,0,0,0,1|1,0,0]=3 1369 B12R1.371 CC(C#N)Sc1ccccc1F 62a_100011215700_100000703298 [0,1,0,0,0,1|1,0,0]=3 1370 B12R1.371 CC(C#N)Sc1ccccc1N 62a_100000210017_100000703298 [0,1,0,0,0,1|1,0,0]=3 1371 B12R1.371 CC(C#N)Sc1ccccc1N 62a_100000703298_100000210017 [0,1,0,0,0,1|1,0,0]=3 1372 B12R1.371 CC(C#N)Sc1ccccc1O 62a_100000703298_100000739446 [0,1,0,0,0,1|1,0,0]=3 1373 B12R1.371 CC(C#N)Sc1ccccc1O 62a_100000739446_100000703298 [0,1,0,0,0,1|1,0,0]=3 1374 B12R1.371 CC(C#N)Sc1cccnc1Br 62a_100000703298_100010202626 [0,1,0,0,0,1|2,0,0]=4 1375 B12R1.371 CC(C#N)Sc1cccnc1Br 62a_100010202626_100000703298 [0,1,0,0,0,1|2,0,0]=4 1376 B12R1.371 CC(C#N)Sc1cccnc1Cl 62a_100000036424_100000703298 [0,1,0,0,0,1|2,0,0]=4 1377 B12R1.371 CC(C#N)Sc1cccnc1Cl 62a_100000703298_100000036424 [0,1,0,0,0,1|2,0,0]=4 1378 B12R1.371 CC(C#N)Sc1cccnc1F 62a_100000703298_100009816115 [0,1,0,0,0,1|2,0,0]=4 1379 B12R1.371 CC(C#N)Sc1cccnc1F 62a_100009816115_100000703298 [0,1,0,0,0,1|2,0,0]=4 1380 B12R1.371 CC(C#N)Sc1cccnc1N 62a_100000045569_100000703298 [0,1,0,0,0,1|2,0,0]=4 1381 B12R1.371 CC(C#N)Sc1cccnc1N 62a_100000703298_100000045569 [0,1,0,0,0,1|2,0,0]=4 1382 B12R1.371 CC(C#N)Sc1cccnc1O 62a_100000703298_100000760158 [0,1,0,0,0,1|2,0,0]=4 1383 B12R1.371 CC(C#N)Sc1cccnc1O 62a_100000760158_100000703298 [0,1,0,0,0,1|2,0,0]=4 1384 B12R1.371 CC(C#N)Sc1ccncc1Br 62a_100000703298_100000726257 [0,1,0,0,0,1|2,0,0]=4 1385 B12R1.371 CC(C#N)Sc1ccncc1Br 62a_100000726257_100000703298 [0,1,0,0,0,1|2,0,0]=4 1386 B12R1.371 CC(C#N)Sc1ccncc1Cl 62a_100000703298_100000708259 [0,1,0,0,0,1|2,0,0]=4 1387 B12R1.371 CC(C#N)Sc1ccncc1Cl 62a_100000708259_100000703298 [0,1,0,0,0,1|2,0,0]=4 1388 B12R1.371 CC(C#N)Sc1ccncc1F 62a_100000047030_100000703298 [0,1,0,0,0,1|2,0,0]=4 1389 B12R1.371 CC(C#N)Sc1ccncc1F 62a_100000703298_100000047030 [0,1,0,0,0,1|2,0,0]=4 1390 B12R1.371 CC(C#N)Sc1ccncc1N 62a_100000703298_100000756074 [0,1,0,0,0,1|2,0,0]=4 1391 B12R1.371 CC(C#N)Sc1ccncc1N 62a_100000756074_100000703298 [0,1,0,0,0,1|2,0,0]=4 1392 B12R1.371 CC(C#N)Sc1ccncc1O 62a_100000703298_100009817591 [0,1,0,0,0,1|2,0,0]=4 1393 B12R1.371 CC(C#N)Sc1ccncc1O 62a_100009817591_100000703298 [0,1,0,0,0,1|2,0,0]=4 1394 B12R1.371 CC(C#N)Sc1cnccc1Br 62a_100000703298_100010138639 [0,1,0,0,0,1|2,0,0]=4 1395 B12R1.371 CC(C#N)Sc1cnccc1Br 62a_100010138639_100000703298 [0,1,0,0,0,1|2,0,0]=4 1396 B12R1.371 CC(C#N)Sc1cnccc1Cl 62a_100000703298_100009995489 [0,1,0,0,0,1|2,0,0]=4 1397 B12R1.371 CC(C#N)Sc1cnccc1Cl 62a_100009995489_100000703298 [0,1,0,0,0,1|2,0,0]=4 1398 B12R1.371 CC(C#N)Sc1cnccc1F 62a_100000703298_100009820683 [0,1,0,0,0,1|2,0,0]=4 1399 B12R1.371 CC(C#N)Sc1cnccc1F 62a_100009820683_100000703298 [0,1,0,0,0,1|2,0,0]=4 1400 B12R1.371 CC(C#N)Sc1cnccc1N 62a_100000047001_100000703298 [0,1,0,0,0,1|2,0,0]=4 1401 B12R1.371 CC(C#N)Sc1cnccc1N 62a_100000703298_100000047001 [0,1,0,0,0,1|2,0,0]=4 1402 B12R1.371 CC(C#N)Sc1ncccc1Br 62a_100000696092_100000703298 [0,1,0,0,0,1|2,0,0]=4 1403 B12R1.371 CC(C#N)Sc1ncccc1Br 62a_100000703298_100000696092 [0,1,0,0,0,1|2,0,0]=4 1404 B12R1.371 CC(C#N)Sc1ncccc1Cl 62a_100000703298_100011356963 [0,1,0,0,0,1|2,0,0]=4 1405 B12R1.371 CC(C#N)Sc1ncccc1Cl 62a_100011356963_100000703298 [0,1,0,0,0,1|2,0,0]=4 1406 B12R1.371 CC(C#N)Sc1ncccc1F 62a_100000685392_100000703298 [0,1,0,0,0,1|2,0,0]=4 1407 B12R1.371 CC(C#N)Sc1ncccc1F 62a_100000703298_100000685392 [0,1,0,0,0,1|2,0,0]=4 1408 B12R1.371 CC(C#N)Sc1ncccc1N 62a_100000688686_100000703298 [0,1,0,0,0,1|2,0,0]=4 1409 B12R1.371 CC(C#N)Sc1ncccc1N 62a_100000703298_100000688686 [0,1,0,0,0,1|2,0,0]=4 1410 B12R1.371 CC(C#N)Sc1ncccc1O 62a_100000034122_100000703298 [0,1,0,0,0,1|2,0,0]=4 1411 B12R1.371 CC(C#N)Sc1ncccc1O 62a_100000703298_100000034122 [0,1,0,0,0,1|2,0,0]=4 1412 B12R1.371 C[n+]1ccccc1SC(F)C#N 62a_200000117898_100000212160 [0,1,0,0,0,1|2,0,0]=4 1413 B12R1.371 Cc1ccccc1OC(C)C#N 7a_100000210338_100000703298 [0,1,0,0,0,1|1,0,0]=3 1414 B12R1.371 Cc1ccccc1SC(C)C#N 62a_100000210755_100000703298 [0,1,0,0,0,1|1,0,0]=3 1415 B12R1.371 Cc1ccccc1SC(C)C#N 62a_100000703298_100000210755 [0,1,0,0,0,1|1,0,0]=3 1416 B12R1.371 Cc1ccccc1SC(F)C#N 62a_100000210755_200000117898 [0,1,0,0,0,1|1,0,0]=3 1417 B12R1.371 Cc1ccccc1SC(F)C#N 62a_200000117898_100000210755 [0,1,0,0,0,1|1,0,0]=3 1418 B12R1.371 Cc1cccnc1SC(C)C#N 62a_100000703298_100000751373 [0,1,0,0,0,1|2,0,0]=4 1419 B12R1.371 Cc1cccnc1SC(C)C#N 62a_100000751373_100000703298 [0,1,0,0,0,1|2,0,0]=4 1420 B12R1.371 Cc1cccnc1SC(F)C#N 62a_100000751373_200000117898 [0,1,0,0,0,1|2,0,0]=4 1421 B12R1.371 Cc1cccnc1SC(F)C#N 62a_200000117898_100000751373 [0,1,0,0,0,1|2,0,0]=4 1422 B12R1.371 Cc1ccncc1OC(C)C#N 7a_100011997053_100000703298 [0,1,0,0,0,1|2,0,0]=4 1423 B12R1.371 Cc1ccncc1SC(C)C#N 62a_100000703298_100000761580 [0,1,0,0,0,1|2,0,0]=4 1424 B12R1.371 Cc1ccncc1SC(C)C#N 62a_100000761580_100000703298 [0,1,0,0,0,1|2,0,0]=4 1425 B12R1.371 Cc1ccncc1SC(F)C#N 62a_100000761580_200000117898 [0,1,0,0,0,1|2,0,0]=4 1426 B12R1.371 Cc1ccncc1SC(F)C#N 62a_200000117898_100000761580 [0,1,0,0,0,1|2,0,0]=4 1427 B12R1.371 Cc1cnccc1SC(C)C#N 62a_100000703298_100000765111 [0,1,0,0,0,1|2,0,0]=4 1428 B12R1.371 Cc1cnccc1SC(C)C#N 62a_100000765111_100000703298 [0,1,0,0,0,1|2,0,0]=4 1429 B12R1.371 Cc1cnccc1SC(F)C#N 62a_100000765111_200000117898 [0,1,0,0,0,1|2,0,0]=4 1430 B12R1.371 Cc1cnccc1SC(F)C#N 62a_200000117898_100000765111 [0,1,0,0,0,1|2,0,0]=4 1431 B12R1.371 Cc1ncccc1OC(C)C#N 7a_100000745507_100000703298 [0,1,0,0,0,1|2,0,0]=4 1432 B12R1.371 Cc1ncccc1SC(C)C#N 62a_100000703298_100000751574 [0,1,0,0,0,1|2,0,0]=4 1433 B12R1.371 Cc1ncccc1SC(C)C#N 62a_100000751574_100000703298 [0,1,0,0,0,1|2,0,0]=4 1434 B12R1.371 Cc1ncccc1SC(F)C#N 62a_100000751574_200000117898 [0,1,0,0,0,1|2,0,0]=4 1435 B12R1.371 Cc1ncccc1SC(F)C#N 62a_200000117898_100000751574 [0,1,0,0,0,1|2,0,0]=4 1436 B12R1.371 N#CC(F)Sc1c[nH]ccc1=O 62a_100009998708_200000117898 [0,1,0,0,0,1|2,0,0]=4 1437 B12R1.371 N#CC(F)Sc1c[nH]ccc1=O 62a_200000117898_100009998708 [0,1,0,0,0,1|2,0,0]=4 1438 B12R1.371 N#CC(F)Sc1c[nH]ccc1=S 62a_200000117898_200012280681 [0,1,0,0,0,1|2,0,0]=4 1439 B12R1.371 N#CC(F)Sc1c[nH]ccc1=S 62a_200012280681_200000117898 [0,1,0,0,0,1|2,0,0]=4 1440 B12R1.371 N#CC(F)Sc1cccc[n+]1[O-] 62a_200000117898_200000042595 [0,1,0,0,0,1|2,0,0]=4 1441 B12R1.371 N#CC(F)Sc1ccccc1Br 62a_100000695589_200000117898 [0,1,0,0,0,1|1,0,0]=3 1442 B12R1.371 N#CC(F)Sc1ccccc1Br 62a_200000117898_100000695589 [0,1,0,0,0,1|1,0,0]=3 1443 B12R1.371 N#CC(F)Sc1ccccc1Cl 62a_100000764095_200000117898 [0,1,0,0,0,1|1,0,0]=3 1444 B12R1.371 N#CC(F)Sc1ccccc1Cl 62a_200000117898_100000764095 [0,1,0,0,0,1|1,0,0]=3 1445 B12R1.371 N#CC(F)Sc1ccccc1F 62a_100011215700_200000117898 [0,1,0,0,0,1|1,0,0]=3 1446 B12R1.371 N#CC(F)Sc1ccccc1F 62a_200000117898_100011215700 [0,1,0,0,0,1|1,0,0]=3 1447 B12R1.371 N#CC(F)Sc1ccccc1N 62a_100000210017_200000117898 [0,1,0,0,0,1|1,0,0]=3 1448 B12R1.371 N#CC(F)Sc1ccccc1N 62a_200000117898_100000210017 [0,1,0,0,0,1|1,0,0]=3 1449 B12R1.371 N#CC(F)Sc1ccccc1O 62a_100000739446_200000117898 [0,1,0,0,0,1|1,0,0]=3 1450 B12R1.371 N#CC(F)Sc1ccccc1O 62a_200000117898_100000739446 [0,1,0,0,0,1|1,0,0]=3 1451 B12R1.371 N#CC(F)Sc1cccnc1Br 62a_100010202626_200000117898 [0,1,0,0,0,1|2,0,0]=4 1452 B12R1.371 N#CC(F)Sc1cccnc1Br 62a_200000117898_100010202626 [0,1,0,0,0,1|2,0,0]=4 1453 B12R1.371 N#CC(F)Sc1cccnc1Cl 62a_100000036424_200000117898 [0,1,0,0,0,1|2,0,0]=4 1454 B12R1.371 N#CC(F)Sc1cccnc1Cl 62a_200000117898_100000036424 [0,1,0,0,0,1|2,0,0]=4 1455 B12R1.371 N#CC(F)Sc1cccnc1F 62a_100009816115_200000117898 [0,1,0,0,0,1|2,0,0]=4 1456 B12R1.371 N#CC(F)Sc1cccnc1F 62a_200000117898_100009816115 [0,1,0,0,0,1|2,0,0]=4 1457 B12R1.371 N#CC(F)Sc1cccnc1N 62a_100000045569_200000117898 [0,1,0,0,0,1|2,0,0]=4 1458 B12R1.371 N#CC(F)Sc1cccnc1N 62a_200000117898_100000045569 [0,1,0,0,0,1|2,0,0]=4 1459 B12R1.371 N#CC(F)Sc1cccnc1O 62a_100000760158_200000117898 [0,1,0,0,0,1|2,0,0]=4 1460 B12R1.371 N#CC(F)Sc1cccnc1O 62a_200000117898_100000760158 [0,1,0,0,0,1|2,0,0]=4 1461 B12R1.371 N#CC(F)Sc1ccncc1Br 62a_100000726257_200000117898 [0,1,0,0,0,1|2,0,0]=4 1462 B12R1.371 N#CC(F)Sc1ccncc1Br 62a_200000117898_100000726257 [0,1,0,0,0,1|2,0,0]=4 1463 B12R1.371 N#CC(F)Sc1ccncc1Cl 62a_100000708259_200000117898 [0,1,0,0,0,1|2,0,0]=4 1464 B12R1.371 N#CC(F)Sc1ccncc1Cl 62a_200000117898_100000708259 [0,1,0,0,0,1|2,0,0]=4 1465 B12R1.371 N#CC(F)Sc1ccncc1F 62a_100000047030_200000117898 [0,1,0,0,0,1|2,0,0]=4 1466 B12R1.371 N#CC(F)Sc1ccncc1F 62a_200000117898_100000047030 [0,1,0,0,0,1|2,0,0]=4 1467 B12R1.371 N#CC(F)Sc1ccncc1N 62a_100000756074_200000117898 [0,1,0,0,0,1|2,0,0]=4 1468 B12R1.371 N#CC(F)Sc1ccncc1N 62a_200000117898_100000756074 [0,1,0,0,0,1|2,0,0]=4 1469 B12R1.371 N#CC(F)Sc1ccncc1O 62a_100009817591_200000117898 [0,1,0,0,0,1|2,0,0]=4 1470 B12R1.371 N#CC(F)Sc1ccncc1O 62a_200000117898_100009817591 [0,1,0,0,0,1|2,0,0]=4 1471 B12R1.371 N#CC(F)Sc1cnccc1Br 62a_100010138639_200000117898 [0,1,0,0,0,1|2,0,0]=4 1472 B12R1.371 N#CC(F)Sc1cnccc1Br 62a_200000117898_100010138639 [0,1,0,0,0,1|2,0,0]=4 1473 B12R1.371 N#CC(F)Sc1cnccc1Cl 62a_100009995489_200000117898 [0,1,0,0,0,1|2,0,0]=4 1474 B12R1.371 N#CC(F)Sc1cnccc1Cl 62a_200000117898_100009995489 [0,1,0,0,0,1|2,0,0]=4 1475 B12R1.371 N#CC(F)Sc1cnccc1F 62a_100009820683_200000117898 [0,1,0,0,0,1|2,0,0]=4 1476 B12R1.371 N#CC(F)Sc1cnccc1F 62a_200000117898_100009820683 [0,1,0,0,0,1|2,0,0]=4 1477 B12R1.371 N#CC(F)Sc1cnccc1N 62a_100000047001_200000117898 [0,1,0,0,0,1|2,0,0]=4 1478 B12R1.371 N#CC(F)Sc1cnccc1N 62a_200000117898_100000047001 [0,1,0,0,0,1|2,0,0]=4 1479 B12R1.371 N#CC(F)Sc1ncccc1Br 62a_100000696092_200000117898 [0,1,0,0,0,1|2,0,0]=4 1480 B12R1.371 N#CC(F)Sc1ncccc1Br 62a_200000117898_100000696092 [0,1,0,0,0,1|2,0,0]=4 1481 B12R1.371 N#CC(F)Sc1ncccc1Cl 62a_100011356963_200000117898 [0,1,0,0,0,1|2,0,0]=4 1482 B12R1.371 N#CC(F)Sc1ncccc1Cl 62a_200000117898_100011356963 [0,1,0,0,0,1|2,0,0]=4 1483 B12R1.371 N#CC(F)Sc1ncccc1F 62a_100000685392_200000117898 [0,1,0,0,0,1|2,0,0]=4 1484 B12R1.371 N#CC(F)Sc1ncccc1F 62a_200000117898_100000685392 [0,1,0,0,0,1|2,0,0]=4 1485 B12R1.371 N#CC(F)Sc1ncccc1N 62a_100000688686_200000117898 [0,1,0,0,0,1|2,0,0]=4 1486 B12R1.371 N#CC(F)Sc1ncccc1N 62a_200000117898_100000688686 [0,1,0,0,0,1|2,0,0]=4 1487 B12R1.371 N#CC(F)Sc1ncccc1O 62a_100000034122_200000117898 [0,1,0,0,0,1|2,0,0]=4 1488 B12R1.371 N#CC(F)Sc1ncccc1O 62a_200000117898_100000034122 [0,1,0,0,0,1|2,0,0]=4 1489 B12R1.9 CC(C)(C#N)c1ccc(cc1)O 271570a_203496583355_100000740055 [0,2,0,0,0,0|1,0,0]=3 1490 B12R1.9 CC(C)(C#N)c1ccc(cn1)O 271570a_203496583355_100012353963 [0,2,0,0,0,0|2,0,0]=4 1491 B12R1.10 CC(C)(C#N)c1cc(ccn1)O 271570a_203496583355_100010730620 [0,2,0,0,0,0|2,0,0]=4 1492 B12R1.10 CC(C)(C#N)c1cccc(c1)O 271570a_203496583355_100011389682 [0,2,0,0,0,0|1,0,0]=3 1493 B12R1.39 CC(O)(CN[13CH3])c1ccccc1 2230a_100011660926_200025704644 [0,2,0,0,0,0|0,0,2]=4 1494 B12R1.39 CNCC(C)(O)c1ccccc1 2230a_100011660926_200000210301 [0,2,0,0,0,0|0,0,2]=4 1495 B12R1.195 CC(C)(C#N)c1ccccc1O 271570a_203496583355_100000716882 [0,2,0,0,0,0|1,0,0]=3 1496 B12R1.253 CC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_200000210301 [0,2,0,0,0,0|1,0,1]=4 1497 B12R1.253 C[C@](O)(C(=O)[13CH3])c1ccccc1 1458a_100000753667_200025704644 [0,2,0,0,0,0|1,0,1]=4 1498 B12R1.475 C#CC(C)(OC)c1ccccc1 34a_100000198054_200000210301 [0,2,0,0,0,0|1,0,0]=3 1499 B12R1.475 C#CC(C)(OC)c1ccccc1 7a_100000198054_200000210301 [0,2,0,0,0,0|1,0,0]=3 1500 B12R1.475 C#CC(C)(O[13CH3])c1ccccc1 34a_100000198054_200025704644 [0,2,0,0,0,0|1,0,0]=3 1501 B12R1.475 C#CC(C)(O[13CH3])c1ccccc1 7a_100000198054_200025704644 [0,2,0,0,0,0|1,0,0]=3 1502 B12R1.475 CCC(C)(OC)c1ccccc1 7a_100000748282_200000210301 [0,2,0,0,0,0|1,0,1]=4 1503 B12R1.475 CCC(C)(O[13CH3])c1ccccc1 7a_100000748282_200025704644 [0,2,0,0,0,0|1,0,1]=4 1504 B12R1.475 CSC(F)(C#N)c1ccccc1 62a_200000117376_200000210301 [0,2,0,0,0,0|0,1,0]=3 1505 B12R1.475 CSC(F)(C#N)c1ccccc1 62a_200000210301_200000117376 [0,2,0,0,0,0|0,1,0]=3 1506 B12R1.475 [13CH3]SC(F)(C#N)c1ccccc1 62a_200000117376_200025704644 [0,2,0,0,0,0|0,1,0]=3 1507 B12R1.475 [13CH3]SC(F)(C#N)c1ccccc1 62a_200025704644_200000117376 [0,2,0,0,0,0|0,1,0]=3 1508 B12R1.3 C#CC(OCC)c1ccccc1 34a_100011219616_100000210202 [0,2,0,0,0,0|1,0,0]=3 1509 B12R1.3 C#CC(OCC)c1ccccc1 7a_100011219616_100000210202 [0,2,0,0,0,0|1,0,0]=3 1510 B12R1.3 C#CC(OCF)c1ccccc1 34a_100011219616_100015361967 [0,2,0,0,0,0|1,0,0]=3 1511 B12R1.3 C#CC(OCF)c1ccccc1 7a_100011219616_100015361967 [0,2,0,0,0,0|1,0,0]=3 1512 B12R1.3 C=CC(OCC)c1ccccc1 34a_100011215659_100000210202 [0,2,0,0,0,0|1,0,1]=4 1513 B12R1.3 C=CC(OCC)c1ccccc1 7a_100011215659_100000210202 [0,2,0,0,0,0|1,0,1]=4 1514 B12R1.3 C=CC(OCF)c1ccccc1 34a_100011215659_100015361967 [0,2,0,0,0,0|1,0,1]=4 1515 B12R1.3 C=CC(OCF)c1ccccc1 7a_100011215659_100015361967 [0,2,0,0,0,0|1,0,1]=4 1516 B12R1.3 C=CCC(OC)c1ccccc1 34a_100000687291_200000210301 [0,2,0,0,0,0|1,0,1]=4 1517 B12R1.3 C=CCC(OC)c1ccccc1 7a_100000687291_200000210301 [0,2,0,0,0,0|1,0,1]=4 1518 B12R1.3 C=CCC(O[13CH3])c1ccccc1 34a_100000687291_200025704644 [0,2,0,0,0,0|1,0,1]=4 1519 B12R1.3 C=CCC(O[13CH3])c1ccccc1 7a_100000687291_200025704644 [0,2,0,0,0,0|1,0,1]=4 1520 B12R1.3 CCC(COC)c1ccccc1 34a_100000752371_200000210301 [0,2,0,0,0,0|1,0,1]=4 1521 B12R1.3 CCC(COC)c1ccccc1 7a_100000752371_200000210301 [0,2,0,0,0,0|1,0,1]=4 1522 B12R1.3 CCC(CO[13CH3])c1ccccc1 34a_100000752371_200025704644 [0,2,0,0,0,0|1,0,1]=4 1523 B12R1.3 CCC(CO[13CH3])c1ccccc1 7a_100000752371_200025704644 [0,2,0,0,0,0|1,0,1]=4 1524 B12R1.3 CCC(OCF)c1ccccc1 34a_100000698172_100015361967 [0,2,0,0,0,0|1,0,1]=4 1525 B12R1.3 CCC(OCF)c1ccccc1 7a_100000698172_100015361967 [0,2,0,0,0,0|1,0,1]=4 1526 B12R1.3 CCCC(OC)c1ccccc1 34a_100000747916_200000210301 [0,2,0,0,0,0|1,0,1]=4 1527 B12R1.3 CCCC(OC)c1ccccc1 7a_100000747916_200000210301 [0,2,0,0,0,0|1,0,1]=4 1528 B12R1.3 CCCC(O[13CH3])c1ccccc1 34a_100000747916_200025704644 [0,2,0,0,0,0|1,0,1]=4 1529 B12R1.3 CCCC(O[13CH3])c1ccccc1 7a_100000747916_200025704644 [0,2,0,0,0,0|1,0,1]=4 1530 B12R1.3 CCN(CC#N)c1ccccc1 2230a_100000210013_100011215382 [0,2,0,0,0,0|2,0,0]=4 1531 B12R1.3 CCN(CC#N)c1ccccc1 269982a_100000210013_100011214920 [0,2,0,0,0,0|2,0,0]=4 1532 B12R1.3 CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210202 [0,2,0,0,0,0|1,0,1]=4 1533 B12R1.3 CCN[C@H](CO)c1ccccc1 34a_100000751927_100000210202 [0,2,0,0,0,0|1,0,1]=4 1534 B12R1.3 CCOC(C#N)c1ccccc1 7a_100011217353_100000210202 [0,2,0,0,0,0|0,0,0]=2 1535 B12R1.3 CCOC(CBr)c1ccccc1 7a_100000185958_100000210202 [0,2,0,0,0,0|1,0,1]=4 1536 B12R1.3 CCOC(CC)c1ccccc1 34a_100000698172_100000210202 [0,2,0,0,0,0|1,0,1]=4 1537 B12R1.3 CCOC(CC)c1ccccc1 7a_100000698172_100000210202 [0,2,0,0,0,0|1,0,1]=4 1538 B12R1.3 CCOC(CN)c1ccccc1 34a_100000210709_100000210202 [0,2,0,0,0,0|0,0,2]=4 1539 B12R1.3 CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210202 [0,2,0,0,0,0|1,0,1]=4 1540 B12R1.3 CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210202 [0,2,0,0,0,0|1,0,1]=4 1541 B12R1.3 CNC(COC)c1ccccc1 269862a_106832991636_100000765260 [0,2,0,0,0,0|2,0,0]=4 1542 B12R1.3 CN[C@@H](CCO)c1ccccc1 2230a_100025705951_200000210301 [0,2,0,0,0,0|2,0,0]=4 1543 B12R1.3 CN[C@H](COC)c1ccccc1 2230a_103619048568_200000210301 [0,2,0,0,0,0|2,0,0]=4 1544 B12R1.3 CN[C@H](COC)c1ccccc1 34a_103619048568_200000210301 [0,2,0,0,0,0|2,0,0]=4 1545 B12R1.3 COC(CCN)c1ccccc1 34a_100000763605_200000210301 [0,2,0,0,0,0|0,0,2]=4 1546 B12R1.3 COC(CO[13CH3])c1ccccc1 34a_100011215540_200025704644 [0,2,0,0,0,0|1,0,1]=4 1547 B12R1.3 COC(CO[13CH3])c1ccccc1 7a_100011215540_200025704644 [0,2,0,0,0,0|1,0,1]=4 1548 B12R1.3 COCC(OC)c1ccccc1 34a_100011215540_200000210301 [0,2,0,0,0,0|1,0,1]=4 1549 B12R1.3 COCC(OC)c1ccccc1 7a_100011215540_200000210301 [0,2,0,0,0,0|1,0,1]=4 1550 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 2230a_103619048568_200025704644 [0,2,0,0,0,0|2,0,0]=4 1551 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 34a_103619048568_200025704644 [0,2,0,0,0,0|2,0,0]=4 1552 B12R1.3 CO[C@H](CC#N)c1ccccc1 7a_100009817555_200000210301 [0,2,0,0,0,0|0,0,0]=2 1553 B12R1.3 CO[C@H](CCCl)c1ccccc1 34a_100000729684_200000210301 [0,2,0,0,0,0|1,0,1]=4 1554 B12R1.3 CO[C@H](CCCl)c1ccccc1 7a_100000729684_200000210301 [0,2,0,0,0,0|1,0,1]=4 1555 B12R1.3 FCOC(CBr)c1ccccc1 7a_100000185958_100015361967 [0,2,0,0,0,0|1,0,1]=4 1556 B12R1.3 FCO[C@H](CCl)c1ccccc1 34a_100011933945_100015361967 [0,2,0,0,0,0|1,0,1]=4 1557 B12R1.3 FCO[C@H](CCl)c1ccccc1 7a_100011933945_100015361967 [0,2,0,0,0,0|1,0,1]=4 1558 B12R1.3 N#CC(OCF)c1ccccc1 7a_100011217353_100015361967 [0,2,0,0,0,0|0,0,0]=2 1559 B12R1.3 NCC(OCF)c1ccccc1 34a_100000210709_100015361967 [0,2,0,0,0,0|0,0,2]=4 1560 B12R1.3 OC[C@@H](NCF)c1ccccc1 34a_100000751927_100015361967 [0,2,0,0,0,0|1,0,1]=4 1561 B12R1.3 [13CH3]N[C@@H](CCO)c1ccccc1 2230a_100025705951_200025704644 [0,2,0,0,0,0|2,0,0]=4 1562 B12R1.3 [13CH3]OC(CCN)c1ccccc1 34a_100000763605_200025704644 [0,2,0,0,0,0|0,0,2]=4 1563 B12R1.3 [13CH3]O[C@H](CC#N)c1ccccc1 7a_100009817555_200025704644 [0,2,0,0,0,0|0,0,0]=2 1564 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 34a_100000729684_200025704644 [0,2,0,0,0,0|1,0,1]=4 1565 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 7a_100000729684_200025704644 [0,2,0,0,0,0|1,0,1]=4 1566 B12R1.12 C#CC(OC)c1ccc(cc1)Cl 34a_100011470666_200000210301 [0,2,0,0,0,0|1,0,0]=3 1567 B12R1.12 C#CC(OC)c1ccc(cc1)Cl 7a_100011470666_200000210301 [0,2,0,0,0,0|1,0,0]=3 1568 B12R1.12 C#CC(O[13CH3])c1ccc(cc1)Cl 34a_100011470666_200025704644 [0,2,0,0,0,0|1,0,0]=3 1569 B12R1.12 C#CC(O[13CH3])c1ccc(cc1)Cl 7a_100011470666_200025704644 [0,2,0,0,0,0|1,0,0]=3 1570 B12R1.12 CCC(OC)c1ccc(cc1)Br 34a_100000246506_200000210301 [0,2,0,0,0,0|1,0,1]=4 1571 B12R1.12 CCC(OC)c1ccc(cc1)Br 7a_100000246506_200000210301 [0,2,0,0,0,0|1,0,1]=4 1572 B12R1.12 CCC(OC)c1ccc(cc1)C 34a_100000246521_200000210301 [0,2,0,0,0,0|1,0,1]=4 1573 B12R1.12 CCC(OC)c1ccc(cc1)C 7a_100000246521_200000210301 [0,2,0,0,0,0|1,0,1]=4 1574 B12R1.12 CCC(OC)c1ccc(cc1)Cl 34a_100000246471_200000210301 [0,2,0,0,0,0|1,0,1]=4 1575 B12R1.12 CCC(OC)c1ccc(cc1)Cl 7a_100000246471_200000210301 [0,2,0,0,0,0|1,0,1]=4 1576 B12R1.12 CCC(OC)c1ccc(cc1)F 34a_100000246474_200000210301 [0,2,0,0,0,0|1,0,1]=4 1577 B12R1.12 CCC(OC)c1ccc(cc1)F 7a_100000246474_200000210301 [0,2,0,0,0,0|1,0,1]=4 1578 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Br 34a_100000246506_200025704644 [0,2,0,0,0,0|1,0,1]=4 1579 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Br 7a_100000246506_200025704644 [0,2,0,0,0,0|1,0,1]=4 1580 B12R1.12 CCC(O[13CH3])c1ccc(cc1)C 34a_100000246521_200025704644 [0,2,0,0,0,0|1,0,1]=4 1581 B12R1.12 CCC(O[13CH3])c1ccc(cc1)C 7a_100000246521_200025704644 [0,2,0,0,0,0|1,0,1]=4 1582 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Cl 34a_100000246471_200025704644 [0,2,0,0,0,0|1,0,1]=4 1583 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Cl 7a_100000246471_200025704644 [0,2,0,0,0,0|1,0,1]=4 1584 B12R1.12 CCC(O[13CH3])c1ccc(cc1)F 34a_100000246474_200025704644 [0,2,0,0,0,0|1,0,1]=4 1585 B12R1.12 CCC(O[13CH3])c1ccc(cc1)F 7a_100000246474_200025704644 [0,2,0,0,0,0|1,0,1]=4 1586 B12R1.12 CNC(C#N)c1ccc(cc1)Cl 2230a_100000747793_200000210301 [0,2,0,0,0,0|1,0,0]=3 1587 B12R1.12 CNC(C#N)c1ccc(cc1)F 2230a_100020612109_200000210301 [0,2,0,0,0,0|1,0,0]=3 1588 B12R1.12 CNC(C#N)c1ccc(cc1)F 34a_100020612109_200000210301 [0,2,0,0,0,0|1,0,0]=3 1589 B12R1.12 CNC(CO)c1ccc(cc1)Br 2230a_100000734186_200000210301 [0,2,0,0,0,0|2,0,0]=4 1590 B12R1.12 CNC(CO)c1ccc(cc1)Br 34a_100000734186_200000210301 [0,2,0,0,0,0|2,0,0]=4 1591 B12R1.12 CNC(CO)c1ccc(cc1)F 2230a_100000705410_200000210301 [0,2,0,0,0,0|2,0,0]=4 1592 B12R1.12 CNC(CO)c1ccc(cc1)F 34a_100000705410_200000210301 [0,2,0,0,0,0|2,0,0]=4 1593 B12R1.12 CN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_200000210301 [0,2,0,0,0,0|2,0,0]=4 1594 B12R1.12 CN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_200000210301 [0,2,0,0,0,0|2,0,0]=4 1595 B12R1.12 CN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_200000210301 [0,2,0,0,0,0|2,0,0]=4 1596 B12R1.12 CN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_200000210301 [0,2,0,0,0,0|2,0,0]=4 1597 B12R1.12 COC(CCl)c1ccc(cc1)Cl 34a_200011996143_200000210301 [0,2,0,0,0,0|1,0,1]=4 1598 B12R1.12 COC(CCl)c1ccc(cc1)Cl 7a_200011996143_200000210301 [0,2,0,0,0,0|1,0,1]=4 1599 B12R1.12 COC(CN)c1ccc(cc1)Br 34a_100020626992_200000210301 [0,2,0,0,0,0|0,0,2]=4 1600 B12R1.12 COC(CN)c1ccc(cc1)Cl 34a_100000736658_200000210301 [0,2,0,0,0,0|0,0,2]=4 1601 B12R1.12 COC(OC)c1ccc(cc1)O 271570a_203496583355_100009813454 [0,2,0,0,0,0|2,0,0]=4 1602 B12R1.12 CO[C@@H](C#N)c1ccc(cc1)C 34a_200009814964_200000210301 [0,2,0,0,0,0|0,0,0]=2 1603 B12R1.12 CO[C@@H](C#N)c1ccc(cc1)C 7a_200009814964_200000210301 [0,2,0,0,0,0|0,0,0]=2 1604 B12R1.12 CO[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_200000210301 [0,2,0,0,0,0|1,0,1]=4 1605 B12R1.12 CO[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_200000210301 [0,2,0,0,0,0|1,0,1]=4 1606 B12R1.12 Cc1ccc(cc1)[C@H](C#N)O[13CH3] 34a_200009814964_200025704644 [0,2,0,0,0,0|0,0,0]=2 1607 B12R1.12 Cc1ccc(cc1)[C@H](C#N)O[13CH3] 7a_200009814964_200025704644 [0,2,0,0,0,0|0,0,0]=2 1608 B12R1.12 Cc1ccc(cc1)[C@H](CO)N[13CH3] 2230a_100009818840_200025704644 [0,2,0,0,0,0|2,0,0]=4 1609 B12R1.12 Cc1ccc(cc1)[C@H](CO)N[13CH3] 34a_100009818840_200025704644 [0,2,0,0,0,0|2,0,0]=4 1610 B12R1.12 [13CH3]NC(C#N)c1ccc(cc1)Cl 2230a_100000747793_200025704644 [0,2,0,0,0,0|1,0,0]=3 1611 B12R1.12 [13CH3]NC(C#N)c1ccc(cc1)F 2230a_100020612109_200025704644 [0,2,0,0,0,0|1,0,0]=3 1612 B12R1.12 [13CH3]NC(C#N)c1ccc(cc1)F 34a_100020612109_200025704644 [0,2,0,0,0,0|1,0,0]=3 1613 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)Br 2230a_100000734186_200025704644 [0,2,0,0,0,0|2,0,0]=4 1614 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)Br 34a_100000734186_200025704644 [0,2,0,0,0,0|2,0,0]=4 1615 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)F 2230a_100000705410_200025704644 [0,2,0,0,0,0|2,0,0]=4 1616 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)F 34a_100000705410_200025704644 [0,2,0,0,0,0|2,0,0]=4 1617 B12R1.12 [13CH3]N[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_200025704644 [0,2,0,0,0,0|2,0,0]=4 1618 B12R1.12 [13CH3]N[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_200025704644 [0,2,0,0,0,0|2,0,0]=4 1619 B12R1.12 [13CH3]OC(CCl)c1ccc(cc1)Cl 34a_200011996143_200025704644 [0,2,0,0,0,0|1,0,1]=4 1620 B12R1.12 [13CH3]OC(CCl)c1ccc(cc1)Cl 7a_200011996143_200025704644 [0,2,0,0,0,0|1,0,1]=4 1621 B12R1.12 [13CH3]OC(CN)c1ccc(cc1)Br 34a_100020626992_200025704644 [0,2,0,0,0,0|0,0,2]=4 1622 B12R1.12 [13CH3]OC(CN)c1ccc(cc1)Cl 34a_100000736658_200025704644 [0,2,0,0,0,0|0,0,2]=4 1623 B12R1.12 [13CH3]O[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_200025704644 [0,2,0,0,0,0|1,0,1]=4 1624 B12R1.12 [13CH3]O[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_200025704644 [0,2,0,0,0,0|1,0,1]=4 1625 B12R1.13 CCC(OC)c1cccc(c1)Cl 34a_100000766619_200000210301 [0,2,0,0,0,0|1,0,1]=4 1626 B12R1.13 CCC(OC)c1cccc(c1)Cl 7a_100000766619_200000210301 [0,2,0,0,0,0|1,0,1]=4 1627 B12R1.13 CCC(OC)c1cccc(c1)F 34a_100011350881_200000210301 [0,2,0,0,0,0|1,0,1]=4 1628 B12R1.13 CCC(OC)c1cccc(c1)F 7a_100011350881_200000210301 [0,2,0,0,0,0|1,0,1]=4 1629 B12R1.13 CCC(OC)c1cccc(c1)I 34a_200013212081_200000210301 [0,2,0,0,0,0|1,0,1]=4 1630 B12R1.13 CCC(OC)c1cccc(c1)I 7a_200013212081_200000210301 [0,2,0,0,0,0|1,0,1]=4 1631 B12R1.13 CCC(O[13CH3])c1cccc(c1)Cl 34a_100000766619_200025704644 [0,2,0,0,0,0|1,0,1]=4 1632 B12R1.13 CCC(O[13CH3])c1cccc(c1)Cl 7a_100000766619_200025704644 [0,2,0,0,0,0|1,0,1]=4 1633 B12R1.13 CCC(O[13CH3])c1cccc(c1)F 34a_100011350881_200025704644 [0,2,0,0,0,0|1,0,1]=4 1634 B12R1.13 CCC(O[13CH3])c1cccc(c1)F 7a_100011350881_200025704644 [0,2,0,0,0,0|1,0,1]=4 1635 B12R1.13 CCC(O[13CH3])c1cccc(c1)I 34a_200013212081_200025704644 [0,2,0,0,0,0|1,0,1]=4 1636 B12R1.13 CCC(O[13CH3])c1cccc(c1)I 7a_200013212081_200025704644 [0,2,0,0,0,0|1,0,1]=4 1637 B12R1.13 CNC(CO)c1cccc(c1)Br 2230a_100000690078_200000210301 [0,2,0,0,0,0|2,0,0]=4 1638 B12R1.13 CNC(CO)c1cccc(c1)Br 34a_100000690078_200000210301 [0,2,0,0,0,0|2,0,0]=4 1639 B12R1.13 CNC(CO)c1cccc(c1)O 2230a_100025717460_200000210301 [0,2,0,0,0,0|2,0,0]=4 1640 B12R1.13 CNC(CO)c1cccc(c1)O 34a_100025717460_200000210301 [0,2,0,0,0,0|2,0,0]=4 1641 B12R1.13 CN[C@@H](CO)c1cccc(c1)Cl 2230a_100032004910_200000210301 [0,2,0,0,0,0|2,0,0]=4 1642 B12R1.13 CN[C@@H](CO)c1cccc(c1)Cl 34a_100032004910_200000210301 [0,2,0,0,0,0|2,0,0]=4 1643 B12R1.13 CN[C@H](CO)c1cccc(c1)C 2230a_100009818812_200000210301 [0,2,0,0,0,0|2,0,0]=4 1644 B12R1.13 CN[C@H](CO)c1cccc(c1)C 34a_100009818812_200000210301 [0,2,0,0,0,0|2,0,0]=4 1645 B12R1.13 CN[C@H](CO)c1cccc(c1)F 2230a_100020641251_200000210301 [0,2,0,0,0,0|2,0,0]=4 1646 B12R1.13 CN[C@H](CO)c1cccc(c1)F 34a_100020641251_200000210301 [0,2,0,0,0,0|2,0,0]=4 1647 B12R1.13 COC(OC)c1cccc(c1)O 271570a_203496583355_100009816312 [0,2,0,0,0,0|2,0,0]=4 1648 B12R1.13 Cc1cccc(c1)[C@@H](CO)N[13CH3] 2230a_100009818812_200025704644 [0,2,0,0,0,0|2,0,0]=4 1649 B12R1.13 Cc1cccc(c1)[C@@H](CO)N[13CH3] 34a_100009818812_200025704644 [0,2,0,0,0,0|2,0,0]=4 1650 B12R1.13 [13CH3]NC(CO)c1cccc(c1)Br 2230a_100000690078_200025704644 [0,2,0,0,0,0|2,0,0]=4 1651 B12R1.13 [13CH3]NC(CO)c1cccc(c1)Br 34a_100000690078_200025704644 [0,2,0,0,0,0|2,0,0]=4 1652 B12R1.13 [13CH3]NC(CO)c1cccc(c1)O 2230a_100025717460_200025704644 [0,2,0,0,0,0|2,0,0]=4 1653 B12R1.13 [13CH3]NC(CO)c1cccc(c1)O 34a_100025717460_200025704644 [0,2,0,0,0,0|2,0,0]=4 1654 B12R1.13 [13CH3]N[C@@H](CO)c1cccc(c1)Cl 2230a_100032004910_200025704644 [0,2,0,0,0,0|2,0,0]=4 1655 B12R1.13 [13CH3]N[C@@H](CO)c1cccc(c1)Cl 34a_100032004910_200025704644 [0,2,0,0,0,0|2,0,0]=4 1656 B12R1.13 [13CH3]N[C@H](CO)c1cccc(c1)F 2230a_100020641251_200025704644 [0,2,0,0,0,0|2,0,0]=4 1657 B12R1.13 [13CH3]N[C@H](CO)c1cccc(c1)F 34a_100020641251_200025704644 [0,2,0,0,0,0|2,0,0]=4 1658 B12R1.243 CCC(OC)c1ccccc1F 34a_200011689290_200000210301 [0,2,0,0,0,0|1,0,1]=4 1659 B12R1.243 CCC(OC)c1ccccc1F 7a_200011689290_200000210301 [0,2,0,0,0,0|1,0,1]=4 1660 B12R1.243 CCC(O[13CH3])c1ccccc1F 34a_200011689290_200025704644 [0,2,0,0,0,0|1,0,1]=4 1661 B12R1.243 CCC(O[13CH3])c1ccccc1F 7a_200011689290_200025704644 [0,2,0,0,0,0|1,0,1]=4 1662 B12R1.243 CNC(C#N)c1ccccc1C 2230a_102495364774_200000210301 [0,2,0,0,0,0|1,0,0]=3 1663 B12R1.243 CNC(CO)c1ccccc1Cl 2230a_100138412506_200000210301 [0,2,0,0,0,0|2,0,0]=4 1664 B12R1.243 CNC(CO)c1ccccc1Cl 34a_100138412506_200000210301 [0,2,0,0,0,0|2,0,0]=4 1665 B12R1.243 CN[C@@H](CO)c1ccccc1F 2230a_100009818778_200000210301 [0,2,0,0,0,0|2,0,0]=4 1666 B12R1.243 CN[C@@H](CO)c1ccccc1F 34a_100009818778_200000210301 [0,2,0,0,0,0|2,0,0]=4 1667 B12R1.243 CN[C@H](CO)c1ccccc1Br 2230a_100161155918_200000210301 [0,2,0,0,0,0|2,0,0]=4 1668 B12R1.243 CN[C@H](CO)c1ccccc1Br 34a_100161155918_200000210301 [0,2,0,0,0,0|2,0,0]=4 1669 B12R1.243 COC(C#N)c1ccccc1Cl 7a_200011294979_200000210301 [0,2,0,0,0,0|0,0,0]=2 1670 B12R1.243 COC(CN)c1ccccc1Br 34a_100011236429_200000210301 [0,2,0,0,0,0|0,0,2]=4 1671 B12R1.243 COC(CN)c1ccccc1Cl 34a_200000759403_200000210301 [0,2,0,0,0,0|0,0,2]=4 1672 B12R1.243 COC(OC)c1ccccc1O 271570a_203496583355_100010185899 [0,2,0,0,0,0|2,0,0]=4 1673 B12R1.243 CSC(C#N)c1ccccc1Br 62a_200000210301_200011581958 [0,2,0,0,0,0|0,1,0]=3 1674 B12R1.243 CSC(C#N)c1ccccc1Br 62a_200011581958_200000210301 [0,2,0,0,0,0|0,1,0]=3 1675 B12R1.243 Cc1ccccc1C(C#N)N[13CH3] 2230a_102495364774_200025704644 [0,2,0,0,0,0|1,0,0]=3 1676 B12R1.243 [13CH3]NC(CO)c1ccccc1Cl 2230a_100138412506_200025704644 [0,2,0,0,0,0|2,0,0]=4 1677 B12R1.243 [13CH3]NC(CO)c1ccccc1Cl 34a_100138412506_200025704644 [0,2,0,0,0,0|2,0,0]=4 1678 B12R1.243 [13CH3]N[C@@H](CO)c1ccccc1F 2230a_100009818778_200025704644 [0,2,0,0,0,0|2,0,0]=4 1679 B12R1.243 [13CH3]N[C@@H](CO)c1ccccc1F 34a_100009818778_200025704644 [0,2,0,0,0,0|2,0,0]=4 1680 B12R1.243 [13CH3]N[C@H](CO)c1ccccc1Br 2230a_100161155918_200025704644 [0,2,0,0,0,0|2,0,0]=4 1681 B12R1.243 [13CH3]N[C@H](CO)c1ccccc1Br 34a_100161155918_200025704644 [0,2,0,0,0,0|2,0,0]=4 1682 B12R1.243 [13CH3]OC(C#N)c1ccccc1Cl 7a_200011294979_200025704644 [0,2,0,0,0,0|0,0,0]=2 1683 B12R1.243 [13CH3]OC(CN)c1ccccc1Br 34a_100011236429_200025704644 [0,2,0,0,0,0|0,0,2]=4 1684 B12R1.243 [13CH3]OC(CN)c1ccccc1Cl 34a_200000759403_200025704644 [0,2,0,0,0,0|0,0,2]=4 1685 B12R1.243 [13CH3]SC(C#N)c1ccccc1Br 62a_200011581958_200025704644 [0,2,0,0,0,0|0,1,0]=3 1686 B12R1.243 [13CH3]SC(C#N)c1ccccc1Br 62a_200025704644_200011581958 [0,2,0,0,0,0|0,1,0]=3 1687 B12R1.478 C=C(C)C(OC)c1ccccc1 34a_200011216824_200000210301 [0,2,0,0,0,0|1,0,1]=4 1688 B12R1.478 C=C(C)C(OC)c1ccccc1 7a_200011216824_200000210301 [0,2,0,0,0,0|1,0,1]=4 1689 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 34a_200011216824_200025704644 [0,2,0,0,0,0|1,0,1]=4 1690 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 7a_200011216824_200025704644 [0,2,0,0,0,0|1,0,1]=4 1691 B12R1.478 CC(=O)C(CO)c1ccccc1 1458a_100011218805_200000210301 [0,2,0,0,0,0|1,0,1]=4 1692 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 34a_200011217822_200025704644 [0,2,0,0,0,0|1,0,1]=4 1693 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 7a_200011217822_200025704644 [0,2,0,0,0,0|1,0,1]=4 1694 B12R1.478 CNC(C(=O)O)c1ccccc1 269956a_100000230147_200000210301 [0,2,0,0,0,0|2,0,0]=4 1695 B12R1.478 CN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_200000210301 [0,2,0,0,0,0|2,0,0]=4 1696 B12R1.478 COC(C(=O)N)c1ccccc1 34a_100011200849_200000210301 [0,2,0,0,0,0|0,0,2]=4 1697 B12R1.478 COC(C(=O)N)c1ccccc1 7a_100011200849_200000210301 [0,2,0,0,0,0|0,0,2]=4 1698 B12R1.478 COC(c1ccccc1)C(C)C 34a_200011217822_200000210301 [0,2,0,0,0,0|1,0,1]=4 1699 B12R1.478 COC(c1ccccc1)C(C)C 7a_200011217822_200000210301 [0,2,0,0,0,0|1,0,1]=4 1700 B12R1.478 CO[C@@H](C(=O)C)c1ccccc1 1458a_100000698336_200000210301 [0,2,0,0,0,0|1,0,1]=4 1701 B12R1.478 CO[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100000698336_200025704644 [0,2,0,0,0,0|1,0,1]=4 1702 B12R1.478 C[C@H](O)[C@@H](N[13CH3])c1ccccc1 2230a_100134616770_200025704644 [0,2,0,0,0,0|2,0,0]=4 1703 B12R1.478 [13CH3]C(=O)C(CO)c1ccccc1 1458a_100011218805_200025704644 [0,2,0,0,0,0|1,0,1]=4 1704 B12R1.478 [13CH3]NC(C(=O)O)c1ccccc1 269956a_100000230147_200025704644 [0,2,0,0,0,0|2,0,0]=4 1705 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 34a_100011200849_200025704644 [0,2,0,0,0,0|0,0,2]=4 1706 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 7a_100011200849_200025704644 [0,2,0,0,0,0|0,0,2]=4 1707 B12R1.16 C=CCC(O)c1ccc(cc1)O 271570a_203496583355_100011466436 [0,2,0,0,0,0|1,0,1]=4 1708 B12R1.16 CCCC(O)c1ccc(cc1)O 271570a_203496583355_100011350873 [0,2,0,0,0,0|1,0,1]=4 1709 B12R1.16 CN(CC#N)c1ccc(cc1)Br 2230a_100000219623_100011215382 [0,2,0,0,0,0|2,0,0]=4 1710 B12R1.16 CN(CC#N)c1ccc(cc1)Br 269982a_100000219623_100011214920 [0,2,0,0,0,0|2,0,0]=4 1711 B12R1.16 CN(CC#N)c1ccc(cc1)Cl 2230a_100020629279_100011215382 [0,2,0,0,0,0|2,0,0]=4 1712 B12R1.16 CN(CC#N)c1ccc(cc1)Cl 269982a_100020629279_100011214920 [0,2,0,0,0,0|2,0,0]=4 1713 B12R1.16 CN(CC#N)c1ccc(cc1)F 2230a_100000219829_100011215382 [0,2,0,0,0,0|2,0,0]=4 1714 B12R1.16 CN(CC#N)c1ccc(cc1)F 2230a_100011199736_200000210301 [0,2,0,0,0,0|2,0,0]=4 1715 B12R1.16 CN(CC#N)c1ccc(cc1)F 269982a_100000219829_100011214920 [0,2,0,0,0,0|2,0,0]=4 1716 B12R1.16 CN(CC#N)c1ccc(cc1)F 34a_100011199736_200000210301 [0,2,0,0,0,0|2,0,0]=4 1717 B12R1.16 CN(CC#N)c1ccc(cc1)I 2230a_100000743151_100011215382 [0,2,0,0,0,0|2,0,0]=4 1718 B12R1.16 CN(CC#N)c1ccc(cc1)I 269982a_100000743151_100011214920 [0,2,0,0,0,0|2,0,0]=4 1719 B12R1.16 CN(CC#N)c1ccc(cc1)O 269982a_100000182112_100011214920 [0,2,0,0,0,0|2,0,0]=4 1720 B12R1.16 CNCC(O)c1ccc(cc1)Br 2230a_100020626992_200000210301 [0,2,0,0,0,0|0,0,2]=4 1721 B12R1.16 CNCC(O)c1ccc(cc1)Br 34a_100020626992_200000210301 [0,2,0,0,0,0|0,0,2]=4 1722 B12R1.16 CNCC(O)c1ccc(cc1)C 2230a_200020610344_200000210301 [0,2,0,0,0,0|0,0,2]=4 1723 B12R1.16 CNCC(O)c1ccc(cc1)C 34a_200020610344_200000210301 [0,2,0,0,0,0|0,0,2]=4 1724 B12R1.16 CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_200000210301 [0,2,0,0,0,0|0,0,2]=4 1725 B12R1.16 CNCC(O)c1ccc(cc1)Cl 2230a_106832991635_200011996143 [0,2,0,0,0,0|0,0,2]=4 1726 B12R1.16 CNCC(O)c1ccc(cc1)Cl 34a_100000736658_200000210301 [0,2,0,0,0,0|0,0,2]=4 1727 B12R1.16 CNCC(O)c1ccc(cc1)Cl 34a_100102657272_200011996143 [0,2,0,0,0,0|0,0,2]=4 1728 B12R1.16 CNCC(O)c1ccc(cc1)Cl 7a_106832991635_200011996143 [0,2,0,0,0,0|0,0,2]=4 1729 B12R1.16 CNCC(O)c1ccc(cc1)O 34a_100000067596_200000210301 [0,2,0,0,0,0|0,0,2]=4 1730 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 2230a_106832991635_100000720402 [0,2,0,0,0,0|0,0,2]=4 1731 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 34a_100102657272_100000720402 [0,2,0,0,0,0|0,0,2]=4 1732 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 7a_106832991635_100000720402 [0,2,0,0,0,0|0,0,2]=4 1733 B12R1.16 COCC(O)c1ccc(cc1)Cl 34a_100138415774_200011996143 [0,2,0,0,0,0|1,0,1]=4 1734 B12R1.16 COC[C@H](O)c1ccc(cc1)F 34a_100138415774_100000720402 [0,2,0,0,0,0|1,0,1]=4 1735 B12R1.16 CSCC(O)c1ccc(cc1)Cl 62a_200000210301_200011996143 [0,2,0,0,0,0|1,0,1]=4 1736 B12R1.16 CSCC(O)c1ccc(cc1)Cl 62a_200011996143_200000210301 [0,2,0,0,0,0|1,0,1]=4 1737 B12R1.16 CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_200000210301 [0,2,0,0,0,0|1,0,1]=4 1738 B12R1.16 CSC[C@H](O)c1ccc(cc1)F 62a_200000210301_100000720402 [0,2,0,0,0,0|1,0,1]=4 1739 B12R1.16 Cc1ccc(cc1)C(=O)CC#N 1458a_100000188618_100011214920 [0,2,0,0,0,0|0,0,2]=4 1740 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 2230a_200020610344_200025704644 [0,2,0,0,0,0|0,0,2]=4 1741 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 34a_200020610344_200025704644 [0,2,0,0,0,0|0,0,2]=4 1742 B12R1.16 Cc1ccc(cc1)N(C)CC#N 2230a_100000219977_100011215382 [0,2,0,0,0,0|2,0,0]=4 1743 B12R1.16 Cc1ccc(cc1)N(C)CC#N 269982a_100000219977_100011214920 [0,2,0,0,0,0|2,0,0]=4 1744 B12R1.16 N#CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011214920 [0,2,0,0,0,0|0,0,2]=4 1745 B12R1.16 N#CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011214920 [0,2,0,0,0,0|0,0,2]=4 1746 B12R1.16 N#CCC(=O)c1ccc(cc1)F 1458a_100000187176_100011214920 [0,2,0,0,0,0|0,0,2]=4 1747 B12R1.16 N#CCC(=O)c1ccc(cc1)I 1458a_100000187904_100011214920 [0,2,0,0,0,0|0,0,2]=4 1748 B12R1.16 N#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100011214920 [0,2,0,0,0,0|0,0,2]=4 1749 B12R1.16 N#CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000740217 [0,2,0,0,0,0|0,0,2]=4 1750 B12R1.16 [13CH3]N(CC#N)c1ccc(cc1)F 2230a_100011199736_200025704644 [0,2,0,0,0,0|2,0,0]=4 1751 B12R1.16 [13CH3]N(CC#N)c1ccc(cc1)F 34a_100011199736_200025704644 [0,2,0,0,0,0|2,0,0]=4 1752 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Br 2230a_100020626992_200025704644 [0,2,0,0,0,0|0,0,2]=4 1753 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Br 34a_100020626992_200025704644 [0,2,0,0,0,0|0,0,2]=4 1754 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Cl 2230a_100000736658_200025704644 [0,2,0,0,0,0|0,0,2]=4 1755 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Cl 34a_100000736658_200025704644 [0,2,0,0,0,0|0,0,2]=4 1756 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)O 34a_100000067596_200025704644 [0,2,0,0,0,0|0,0,2]=4 1757 B12R1.16 [13CH3]SCC(O)c1ccc(cc1)Cl 62a_200011996143_200025704644 [0,2,0,0,0,0|1,0,1]=4 1758 B12R1.16 [13CH3]SCC(O)c1ccc(cc1)Cl 62a_200025704644_200011996143 [0,2,0,0,0,0|1,0,1]=4 1759 B12R1.16 [13CH3]SC[C@H](O)c1ccc(cc1)F 62a_100000720402_200025704644 [0,2,0,0,0,0|1,0,1]=4 1760 B12R1.16 [13CH3]SC[C@H](O)c1ccc(cc1)F 62a_200025704644_100000720402 [0,2,0,0,0,0|1,0,1]=4 1761 B12R1.17 CN(CC#N)c1cccc(c1)Br 2230a_100000219648_100011215382 [0,2,0,0,0,0|2,0,0]=4 1762 B12R1.17 CN(CC#N)c1cccc(c1)Br 269982a_100000219648_100011214920 [0,2,0,0,0,0|2,0,0]=4 1763 B12R1.17 CN(CC#N)c1cccc(c1)Cl 2230a_100000220044_100011215382 [0,2,0,0,0,0|2,0,0]=4 1764 B12R1.17 CN(CC#N)c1cccc(c1)Cl 269982a_100000220044_100011214920 [0,2,0,0,0,0|2,0,0]=4 1765 B12R1.17 CN(CC#N)c1cccc(c1)F 2230a_100020633736_100011215382 [0,2,0,0,0,0|2,0,0]=4 1766 B12R1.17 CN(CC#N)c1cccc(c1)F 269982a_100020633736_100011214920 [0,2,0,0,0,0|2,0,0]=4 1767 B12R1.17 CN(CC#N)c1cccc(c1)I 2230a_100000221217_100011215382 [0,2,0,0,0,0|2,0,0]=4 1768 B12R1.17 CN(CC#N)c1cccc(c1)I 269982a_100000221217_100011214920 [0,2,0,0,0,0|2,0,0]=4 1769 B12R1.17 CN(CC#N)c1cccc(c1)O 2230a_100000756613_100011215382 [0,2,0,0,0,0|2,0,0]=4 1770 B12R1.17 CN(CC#N)c1cccc(c1)O 269982a_100000756613_100011214920 [0,2,0,0,0,0|2,0,0]=4 1771 B12R1.17 CNCC(O)c1cccc(c1)O 2230a_100020657549_200000210301 [0,2,0,0,0,0|0,0,2]=4 1772 B12R1.17 CNCC(O)c1cccc(c1)O 271570a_203496583355_200000733937 [0,2,0,0,0,0|0,0,2]=4 1773 B12R1.17 CNCC(O)c1cccc(c1)O 34a_100020657549_200000210301 [0,2,0,0,0,0|0,0,2]=4 1774 B12R1.17 Cc1cccc(c1)C(=O)CC#N 1458a_100000189346_100011214920 [0,2,0,0,0,0|0,0,2]=4 1775 B12R1.17 Cc1cccc(c1)N(C)CC#N 2230a_100000219674_100011215382 [0,2,0,0,0,0|2,0,0]=4 1776 B12R1.17 Cc1cccc(c1)N(C)CC#N 269982a_100000219674_100011214920 [0,2,0,0,0,0|2,0,0]=4 1777 B12R1.17 N#CCC(=O)c1cccc(c1)Br 1458a_100000210664_100011214920 [0,2,0,0,0,0|0,0,2]=4 1778 B12R1.17 N#CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011214920 [0,2,0,0,0,0|0,0,2]=4 1779 B12R1.17 N#CCC(=O)c1cccc(c1)F 1458a_100000210950_100011214920 [0,2,0,0,0,0|0,0,2]=4 1780 B12R1.17 N#CCC(=O)c1cccc(c1)I 1458a_100000184098_100011214920 [0,2,0,0,0,0|0,0,2]=4 1781 B12R1.17 N#CCC(=O)c1cccc(c1)O 1458a_100000183914_100011214920 [0,2,0,0,0,0|0,0,2]=4 1782 B12R1.17 N#CCC(=O)c1cccc(c1)O 271570a_203496583355_100000740218 [0,2,0,0,0,0|0,0,2]=4 1783 B12R1.17 [13CH3]NCC(O)c1cccc(c1)O 2230a_100020657549_200025704644 [0,2,0,0,0,0|0,0,2]=4 1784 B12R1.17 [13CH3]NCC(O)c1cccc(c1)O 34a_100020657549_200025704644 [0,2,0,0,0,0|0,0,2]=4 1785 B12R1.30 C#CCNC(C)c1ccccc1 34a_100000212058_100000211855 [0,2,0,0,0,0|2,0,0]=4 1786 B12R1.30 C#CCN[C@H](C)c1ccccc1 2230a_100000751104_100000038162 [0,2,0,0,0,0|2,0,0]=4 1787 B12R1.30 C#CCOC(C)c1ccccc1 34a_100000210247_100000211855 [0,2,0,0,0,0|2,0,0]=4 1788 B12R1.30 C#CCO[C@H](C)c1ccccc1 34a_100000761318_100000184674 [0,2,0,0,0,0|2,0,0]=4 1789 B12R1.30 C#CCO[C@H](C)c1ccccc1 7a_100000761318_100000038162 [0,2,0,0,0,0|2,0,0]=4 1790 B12R1.30 C#CCSC(C)c1ccccc1 62a_100000038162_100000230085 [0,2,0,0,0,0|2,0,0]=4 1791 B12R1.30 CC(NCC#N)c1ccccn1 2230a_100000181244_100011215382 [0,2,0,0,0,0|2,0,0]=4 1792 B12R1.30 CC(NCC#N)c1cccnc1 2230a_100000195435_100011215382 [0,2,0,0,0,0|2,0,0]=4 1793 B12R1.30 CC(NCC#N)c1ccncc1 2230a_100000181269_100011215382 [0,2,0,0,0,0|2,0,0]=4 1794 B12R1.30 CC(SCC#N)c1ccccc1 62a_100000230085_100011215382 [0,2,0,0,0,0|1,0,0]=3 1795 B12R1.30 CC(SCC#N)c1ccccc1 62a_100011215382_100000230085 [0,2,0,0,0,0|1,0,0]=3 1796 B12R1.30 CCNCC(O)c1ccccc1 2230a_100000210709_100000210202 [0,2,0,0,0,0|0,0,2]=4 1797 B12R1.30 CCNCC(O)c1ccccc1 2230a_100015525214_100000185958 [0,2,0,0,0,0|0,0,2]=4 1798 B12R1.30 CCNC[C@@H](O)c1ccccc1 2230a_100015525214_100011933945 [0,2,0,0,0,0|0,0,2]=4 1799 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [0,2,0,0,0,0|1,0,1]=4 1800 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [0,2,0,0,0,0|1,0,1]=4 1801 B12R1.30 CCSCC(O)c1ccccc1 62a_100000185958_100000210202 [0,2,0,0,0,0|1,0,1]=4 1802 B12R1.30 CCSCC(O)c1ccccc1 62a_100000210202_100000185958 [0,2,0,0,0,0|1,0,1]=4 1803 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100000210202_100011933945 [0,2,0,0,0,0|1,0,1]=4 1804 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210202 [0,2,0,0,0,0|1,0,1]=4 1805 B12R1.30 CN(CCC#N)c1ccccc1 2230a_100000183874_200000210301 [0,2,0,0,0,0|2,0,0]=4 1806 B12R1.30 CN(CCC#N)c1ccccc1 2230a_100000210012_100011215226 [0,2,0,0,0,0|2,0,0]=4 1807 B12R1.30 CN(CCC#N)c1ccccc1 269982a_100000210012_100011215226 [0,2,0,0,0,0|2,0,0]=4 1808 B12R1.30 CN(CSC#N)c1ccccc1 269982a_100000210012_100000211825 [0,2,0,0,0,0|2,0,0]=4 1809 B12R1.30 CNCCC(O)c1ccccc1 2230a_100000763605_200000210301 [0,2,0,0,0,0|0,0,2]=4 1810 B12R1.30 CNCC[C@@H](O)c1ccccc1 2230a_106832991635_100000729684 [0,2,0,0,0,0|0,0,2]=4 1811 B12R1.30 CNCC[C@@H](O)c1ccccc1 34a_100102657272_100000729684 [0,2,0,0,0,0|0,0,2]=4 1812 B12R1.30 CNCC[C@@H](O)c1ccccc1 7a_106832991635_100000729684 [0,2,0,0,0,0|0,0,2]=4 1813 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [0,2,0,0,0,0|1,0,1]=4 1814 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_100000729684_200000210301 [0,2,0,0,0,0|1,0,1]=4 1815 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_200000210301_100000729684 [0,2,0,0,0,0|1,0,1]=4 1816 B12R1.30 C[C@@H](NCC#N)c1ccccc1 2230a_100000751104_100011215382 [0,2,0,0,0,0|1,0,0]=3 1817 B12R1.30 C[C@@H](OCC#N)c1ccccc1 7a_100000761318_100011215382 [0,2,0,0,0,0|1,0,0]=3 1818 B12R1.30 N#CCCC(=O)c1ccccc1 1458a_100000185807_100011215226 [0,2,0,0,0,0|0,0,2]=4 1819 B12R1.30 N#CCNC(=O)c1ccccc1 1626a_100000734998_100000185807 [0,2,0,0,0,0|0,0,2]=4 1820 B12R1.30 N#CCNC(=O)c1ccccc1 527a_100000734998_100000185807 [0,2,0,0,0,0|0,0,2]=4 1821 B12R1.30 OC(CSCF)c1ccccc1 62a_100000185958_100015361967 [0,2,0,0,0,0|1,0,1]=4 1822 B12R1.30 OC(CSCF)c1ccccc1 62a_100015361967_100000185958 [0,2,0,0,0,0|1,0,1]=4 1823 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100011933945_100015361967 [0,2,0,0,0,0|1,0,1]=4 1824 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100015361967_100011933945 [0,2,0,0,0,0|1,0,1]=4 1825 B12R1.30 [13CH3]N(CCC#N)c1ccccc1 2230a_100000183874_200025704644 [0,2,0,0,0,0|2,0,0]=4 1826 B12R1.30 [13CH3]NCCC(O)c1ccccc1 2230a_100000763605_200025704644 [0,2,0,0,0,0|0,0,2]=4 1827 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_100000729684_200025704644 [0,2,0,0,0,0|1,0,1]=4 1828 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_200025704644_100000729684 [0,2,0,0,0,0|1,0,1]=4 1829 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,2,0,0,0,0|1,0,1]=4 1830 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,2,0,0,0,0|1,0,1]=4 1831 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,2,0,0,0,0|1,0,1]=4 1832 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100000227976_200000210301 [0,2,0,0,0,0|0,0,2]=4 1833 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100102631434_100000185958 [0,2,0,0,0,0|0,0,2]=4 1834 B12R1.107 CN(C)CC(O)c1ccccc1 269982a_100000227976_200000210301 [0,2,0,0,0,0|0,0,2]=4 1835 B12R1.107 CN(C)C[C@@H](O)c1ccccc1 2230a_100102631434_100011933945 [0,2,0,0,0,0|0,0,2]=4 1836 B12R1.107 CN([13CH3])CC(O)c1ccccc1 2230a_100000227976_200025704644 [0,2,0,0,0,0|0,0,2]=4 1837 B12R1.107 CN([13CH3])CC(O)c1ccccc1 269982a_100000227976_200025704644 [0,2,0,0,0,0|0,0,2]=4 1838 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,2,0,0,0,0|1,0,1]=4 1839 B12R1.308 CN(CC#N)c1ccccc1Br 2230a_100020606079_100011215382 [0,2,0,0,0,0|2,0,0]=4 1840 B12R1.308 CN(CC#N)c1ccccc1Br 269982a_100020606079_100011214920 [0,2,0,0,0,0|2,0,0]=4 1841 B12R1.308 CN(CC#N)c1ccccc1Cl 2230a_100000219374_100011215382 [0,2,0,0,0,0|2,0,0]=4 1842 B12R1.308 CN(CC#N)c1ccccc1Cl 269982a_100000219374_100011214920 [0,2,0,0,0,0|2,0,0]=4 1843 B12R1.308 CN(CC#N)c1ccccc1F 2230a_100000220357_100011215382 [0,2,0,0,0,0|2,0,0]=4 1844 B12R1.308 CN(CC#N)c1ccccc1F 269982a_100000220357_100011214920 [0,2,0,0,0,0|2,0,0]=4 1845 B12R1.308 CN(CC#N)c1ccccc1O 269982a_100000033821_100011214920 [0,2,0,0,0,0|2,0,0]=4 1846 B12R1.308 CNCC(O)c1ccccc1Br 2230a_100011236429_200000210301 [0,2,0,0,0,0|0,0,2]=4 1847 B12R1.308 CNCC(O)c1ccccc1Cl 2230a_200000759403_200000210301 [0,2,0,0,0,0|0,0,2]=4 1848 B12R1.308 CNCC(O)c1ccccc1Cl 34a_200000759403_200000210301 [0,2,0,0,0,0|0,0,2]=4 1849 B12R1.308 Cc1ccccc1C(=O)CC#N 1458a_100000212026_100011214920 [0,2,0,0,0,0|0,0,2]=4 1850 B12R1.308 Cc1ccccc1N(C)CC#N 2230a_100000219699_100011215382 [0,2,0,0,0,0|2,0,0]=4 1851 B12R1.308 Cc1ccccc1N(C)CC#N 269982a_100000219699_100011214920 [0,2,0,0,0,0|2,0,0]=4 1852 B12R1.308 N#CCC(=O)c1ccccc1Br 1458a_100000188424_100011214920 [0,2,0,0,0,0|0,0,2]=4 1853 B12R1.308 N#CCC(=O)c1ccccc1Cl 1458a_100000185844_100011214920 [0,2,0,0,0,0|0,0,2]=4 1854 B12R1.308 N#CCC(=O)c1ccccc1F 1458a_100000188656_100011214920 [0,2,0,0,0,0|0,0,2]=4 1855 B12R1.308 N#CCC(=O)c1ccccc1I 1458a_100000187884_100011214920 [0,2,0,0,0,0|0,0,2]=4 1856 B12R1.308 N#CCC(=O)c1ccccc1O 1458a_100015234032_100011214920 [0,2,0,0,0,0|0,0,2]=4 1857 B12R1.308 N#CCC(=O)c1ccccc1O 271570a_203496583355_100011225204 [0,2,0,0,0,0|0,0,2]=4 1858 B12R1.308 N#CCC(=O)c1ccccc1[O-] 1458a_100009911694_100011214920 [0,2,0,0,0,0|0,0,2]=4 1859 B12R1.308 [13CH3]NCC(O)c1ccccc1Br 2230a_100011236429_200025704644 [0,2,0,0,0,0|0,0,2]=4 1860 B12R1.308 [13CH3]NCC(O)c1ccccc1Cl 2230a_200000759403_200025704644 [0,2,0,0,0,0|0,0,2]=4 1861 B12R1.308 [13CH3]NCC(O)c1ccccc1Cl 34a_200000759403_200025704644 [0,2,0,0,0,0|0,0,2]=4 1862 B12R1.5 C=Cc1ccc(cc1)C(=O)C#N 271570a_100011290941_100009994572 [0,2,0,0,0,0|0,0,2]=4 1863 B12R1.5 C=Cc1ccc(cc1)C(C)C#N 271570a_100011290941_100000695319 [0,2,0,0,0,0|1,0,0]=3 1864 B12R1.5 C=Cc1ccc(cc1)C(N)C#N 271570a_100011290941_106722365845 [0,2,0,0,0,0|1,0,0]=3 1865 B12R1.5 C=Cc1ccc(cc1)C(O)CC 271570a_100011290941_100000246506 [0,2,0,0,0,0|1,0,1]=4 1866 B12R1.5 C=Cc1ccc(cc1)C(O)CN 271570a_100011290941_100020626992 [0,2,0,0,0,0|0,0,2]=4 1867 B12R1.5 C=Cc1ccc(cc1)C(O)CO 271570a_100011290941_200012355997 [0,2,0,0,0,0|1,0,1]=4 1868 B12R1.5 CC(C#N)c1ccc(cc1)N[13CH3] 34a_100000069498_200025704644 [0,2,0,0,0,0|1,0,0]=3 1869 B12R1.5 CC(C#N)c1ccc(cc1)N[13CH3] 7a_100000069498_200025704644 [0,2,0,0,0,0|1,0,0]=3 1870 B12R1.5 CC(C#N)c1ccc(cc1)S[13CH3] 62a_100000695319_200025704644 [0,2,0,0,0,0|1,0,0]=3 1871 B12R1.5 CC(C#N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000695319 [0,2,0,0,0,0|1,0,0]=3 1872 B12R1.5 CCC(O)c1ccc(cc1)SC 62a_100000246506_200000210301 [0,2,0,0,0,0|1,0,1]=4 1873 B12R1.5 CCC(O)c1ccc(cc1)SC 62a_200000210301_100000246506 [0,2,0,0,0,0|1,0,1]=4 1874 B12R1.5 CCC(O)c1ccc(cc1)S[13CH3] 62a_100000246506_200025704644 [0,2,0,0,0,0|1,0,1]=4 1875 B12R1.5 CCC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000246506 [0,2,0,0,0,0|1,0,1]=4 1876 B12R1.5 CNc1ccc(cc1)C(C)C#N 34a_100000069498_200000210301 [0,2,0,0,0,0|1,0,0]=3 1877 B12R1.5 CNc1ccc(cc1)C(C)C#N 7a_100000069498_200000210301 [0,2,0,0,0,0|1,0,0]=3 1878 B12R1.5 COc1ccc(cc1)C(O)CN 34a_100000067596_200000210301 [0,2,0,0,0,0|0,0,2]=4 1879 B12R1.5 CSc1ccc(cc1)C(=O)C#N 62a_200000210301_100009994572 [0,2,0,0,0,0|0,0,2]=4 1880 B12R1.5 CSc1ccc(cc1)C(C)C#N 62a_100000695319_200000210301 [0,2,0,0,0,0|1,0,0]=3 1881 B12R1.5 CSc1ccc(cc1)C(C)C#N 62a_200000210301_100000695319 [0,2,0,0,0,0|1,0,0]=3 1882 B12R1.5 CSc1ccc(cc1)C(N)C#N 62a_106722365845_200000210301 [0,2,0,0,0,0|1,0,0]=3 1883 B12R1.5 CSc1ccc(cc1)C(N)C#N 62a_200000210301_106722365845 [0,2,0,0,0,0|1,0,0]=3 1884 B12R1.5 CSc1ccc(cc1)C(O)CN 62a_100020626992_200000210301 [0,2,0,0,0,0|0,0,2]=4 1885 B12R1.5 CSc1ccc(cc1)C(O)CN 62a_200000210301_100020626992 [0,2,0,0,0,0|0,0,2]=4 1886 B12R1.5 CSc1ccc(cc1)C(O)CO 62a_200000210301_200012355997 [0,2,0,0,0,0|1,0,1]=4 1887 B12R1.5 CSc1ccc(cc1)C(O)CO 62a_200012355997_200000210301 [0,2,0,0,0,0|1,0,1]=4 1888 B12R1.5 [13CH3]Oc1ccc(cc1)C(O)CN 34a_100000067596_200025704644 [0,2,0,0,0,0|0,0,2]=4 1889 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C#N 62a_200025704644_100009994572 [0,2,0,0,0,0|0,0,2]=4 1890 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)C#N 62a_106722365845_200025704644 [0,2,0,0,0,0|1,0,0]=3 1891 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)C#N 62a_200025704644_106722365845 [0,2,0,0,0,0|1,0,0]=3 1892 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CN 62a_100020626992_200025704644 [0,2,0,0,0,0|0,0,2]=4 1893 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CN 62a_200025704644_100020626992 [0,2,0,0,0,0|0,0,2]=4 1894 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CO 62a_200012355997_200025704644 [0,2,0,0,0,0|1,0,1]=4 1895 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CO 62a_200025704644_200012355997 [0,2,0,0,0,0|1,0,1]=4 1896 B12R1.20 CC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200000210301 [0,2,0,0,0,0|1,0,1]=4 1897 B12R1.20 CC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200000210301 [0,2,0,0,0,0|1,0,1]=4 1898 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [0,2,0,0,0,0|1,0,1]=4 1899 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_200000210301 [0,2,0,0,0,0|1,0,1]=4 1900 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200000210301 [0,2,0,0,0,0|1,0,1]=4 1901 B12R1.20 Cc1ccc(cc1)[C@@H](O)C(=O)[13CH3] 1458a_100009815954_200025704644 [0,2,0,0,0,0|1,0,1]=4 1902 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200025704644 [0,2,0,0,0,0|1,0,1]=4 1903 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200025704644 [0,2,0,0,0,0|1,0,1]=4 1904 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [0,2,0,0,0,0|1,0,1]=4 1905 B12R1.20 [13CH3]C(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200025704644 [0,2,0,0,0,0|1,0,1]=4 1906 B12R1.225 CC(=O)C(O)c1cccc(c1)C 1458a_100011434945_200000210301 [0,2,0,0,0,0|1,0,1]=4 1907 B12R1.225 CC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200000210301 [0,2,0,0,0,0|1,0,1]=4 1908 B12R1.225 CC(=O)C(O)c1cccc(c1)F 1458a_100011434943_200000210301 [0,2,0,0,0,0|1,0,1]=4 1909 B12R1.225 Cc1cccc(c1)C(O)C(=O)[13CH3] 1458a_100011434945_200025704644 [0,2,0,0,0,0|1,0,1]=4 1910 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200025704644 [0,2,0,0,0,0|1,0,1]=4 1911 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)F 1458a_100011434943_200025704644 [0,2,0,0,0,0|1,0,1]=4 1912 B12R1.435 C=Cc1cccc(c1)C(=O)C#N 271570a_100011290941_100010169886 [0,2,0,0,0,0|0,0,2]=4 1913 B12R1.435 C=Cc1cccc(c1)C(O)CC 271570a_100011290941_200013212081 [0,2,0,0,0,0|1,0,1]=4 1914 B12R1.435 CCC(O)c1cccc(c1)SC 62a_200000210301_200013212081 [0,2,0,0,0,0|1,0,1]=4 1915 B12R1.435 CCC(O)c1cccc(c1)SC 62a_200013212081_200000210301 [0,2,0,0,0,0|1,0,1]=4 1916 B12R1.435 CCC(O)c1cccc(c1)S[13CH3] 62a_200013212081_200025704644 [0,2,0,0,0,0|1,0,1]=4 1917 B12R1.435 CCC(O)c1cccc(c1)S[13CH3] 62a_200025704644_200013212081 [0,2,0,0,0,0|1,0,1]=4 1918 B12R1.435 COc1cccc(c1)C(O)CN 34a_100020657549_200000210301 [0,2,0,0,0,0|0,0,2]=4 1919 B12R1.435 CSc1cccc(c1)C(=O)C#N 62a_200000210301_100010169886 [0,2,0,0,0,0|0,0,2]=4 1920 B12R1.435 [13CH3]Oc1cccc(c1)C(O)CN 34a_100020657549_200025704644 [0,2,0,0,0,0|0,0,2]=4 1921 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C#N 62a_200025704644_100010169886 [0,2,0,0,0,0|0,0,2]=4 1922 B12R1.124 CC(=O)C(O)c1ccccc1Br 1458a_200011356456_200000210301 [0,2,0,0,0,0|1,0,1]=4 1923 B12R1.124 CC(=O)C(O)c1ccccc1Cl 1458a_100011217820_200000210301 [0,2,0,0,0,0|1,0,1]=4 1924 B12R1.124 CC(=O)C(O)c1ccccc1F 1458a_100011219519_200000210301 [0,2,0,0,0,0|1,0,1]=4 1925 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Br 1458a_200011356456_200025704644 [0,2,0,0,0,0|1,0,1]=4 1926 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Cl 1458a_100011217820_200025704644 [0,2,0,0,0,0|1,0,1]=4 1927 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1F 1458a_100011219519_200025704644 [0,2,0,0,0,0|1,0,1]=4 1928 B12R1.77 C=Cc1ccccc1C(C)C#N 271570a_100011290941_200010232107 [0,2,0,0,0,0|1,0,0]=3 1929 B12R1.77 C=Cc1ccccc1C(O)CN 271570a_100011290941_100011236429 [0,2,0,0,0,0|0,0,2]=4 1930 B12R1.77 CC(C#N)c1ccccc1S[13CH3] 62a_200010232107_200025704644 [0,2,0,0,0,0|1,0,0]=3 1931 B12R1.77 CC(C#N)c1ccccc1S[13CH3] 62a_200025704644_200010232107 [0,2,0,0,0,0|1,0,0]=3 1932 B12R1.77 CSc1ccccc1C(C)C#N 62a_200000210301_200010232107 [0,2,0,0,0,0|1,0,0]=3 1933 B12R1.77 CSc1ccccc1C(C)C#N 62a_200010232107_200000210301 [0,2,0,0,0,0|1,0,0]=3 1934 B12R1.77 CSc1ccccc1C(O)CN 62a_100011236429_200000210301 [0,2,0,0,0,0|0,0,2]=4 1935 B12R1.77 CSc1ccccc1C(O)CN 62a_200000210301_100011236429 [0,2,0,0,0,0|0,0,2]=4 1936 B12R1.77 [13CH3]Sc1ccccc1C(O)CN 62a_100011236429_200025704644 [0,2,0,0,0,0|0,0,2]=4 1937 B12R1.77 [13CH3]Sc1ccccc1C(O)CN 62a_200025704644_100011236429 [0,2,0,0,0,0|0,0,2]=4 1938 B10R1.20 C=Cc1ccccc1C#N 271570a_100011290941_100000188569 [0,0,1,1,0,0|1,0,1]=4 1939 B10R1.20 C=Cc1cccnc1C#N 271570a_100011290941_100000685805 [0,0,1,1,0,0|1,0,1]=4 1940 B10R1.96 C=C=Cc1ccc(o1)C#N 271570a_100015277604_100000764468 [0,0,1,1,0,0|0,0,2]=4 1941 B10R1.96 CC=Cc1ccc(o1)C#N 271570a_100016259895_100000764468 [0,0,1,1,0,0|0,0,2]=4 1942 B10R1.172 C=Cc1cccc(c1)C#N 271570a_100011290941_100000189340 [0,0,1,1,0,0|1,0,1]=4 1943 B10R1.172 C=Cc1cccc(n1)C#N 271570a_100011290941_100011934037 [0,0,1,1,0,0|1,0,1]=4 1944 B10R2.6 c1ccc(cc1)C2CC2 271570a_100011220607_100000210277 [1,0,0,1,0,0|1,0,1]=4 1945 B12R2.1 CNC1COc2c1cccc2 2230a_100000747519_200000210301 [0,1,0,1,0,0|2,0,0]=4 1946 B12R2.1 COC1CCc2c1cccc2 34a_100000212247_200000210301 [0,1,0,1,0,0|1,0,1]=4 1947 B12R2.1 COC1CCc2c1cccc2 7a_100000212247_200000210301 [0,1,0,1,0,0|1,0,1]=4 1948 B12R2.1 [13CH3]NC1COc2c1cccc2 2230a_100000747519_200025704644 [0,1,0,1,0,0|2,0,0]=4 1949 B12R2.1 [13CH3]OC1CCc2c1cccc2 34a_100000212247_200025704644 [0,1,0,1,0,0|1,0,1]=4 1950 B12R2.1 [13CH3]OC1CCc2c1cccc2 7a_100000212247_200025704644 [0,1,0,1,0,0|1,0,1]=4 1951 B12R2.612 Oc1ccc2c(c1)CCC2O 271570a_203496583355_100000747877 [0,1,0,1,0,0|1,0,1]=4 1952 B12R2.132 Oc1ccc2c(c1)C(CC2)O 271570a_203496583355_100011836024 [0,1,0,1,0,0|1,0,1]=4 1953 B12R2.196 Oc1cccc2c1CC[C@@H]2O 271570a_203496583355_100010080924 [0,1,0,1,0,0|1,0,1]=4 1954 B12R2.203 Oc1cccc2c1C(CS2)O 271570a_203496583355_200010991195 [0,1,0,1,0,0|1,0,1]=4 1955 B12R1.27 C#CC(C)NCc1ccccc1 2230a_100000707721_100015291786 [0,0,0,0,0,2|2,0,0]=4 1956 B12R1.27 C#CC(C)NCc1ccccc1 270004a_100000707721_100015611070 [0,0,0,0,0,2|2,0,0]=4 1957 B12R1.27 C#CC(C)NCc1ccccc1 34a_100000707721_100015291786 [0,0,0,0,0,2|2,0,0]=4 1958 B12R1.27 C#CC(C)NCc1ccccc1 34a_100015324214_200000035995 [0,0,0,0,0,2|2,0,0]=4 1959 B12R1.27 C#CC(C)OCc1ccccc1 34a_100000210790_200000035995 [0,0,0,0,0,2|2,0,0]=4 1960 B12R1.27 C#CC(C)SCc1ccccc1 62a_200000035995_100015291786 [0,0,0,0,0,2|2,0,0]=4 1961 B12R1.27 C#C[C@@H](C)OCc1ccccc1 34a_100009815206_100015291786 [0,0,0,0,0,2|2,0,0]=4 1962 B12R1.27 C#C[C@@H](C)OCc1ccccc1 7a_100009815206_100000211182 [0,0,0,0,0,2|2,0,0]=4 1963 B12R1.27 C=C(C#N)CNc1ccccc1 34a_100000106764_100000694840 [0,0,0,0,0,2|1,0,1]=4 1964 B12R1.27 C=C(C#N)COc1ccccc1 34a_100000210340_100000694840 [0,0,0,0,0,2|1,0,1]=4 1965 B12R1.27 C=C(C#N)CSc1ccccc1 62a_100000719477_100000694840 [0,0,0,0,0,2|1,0,1]=4 1966 B12R1.27 C=CC(O)CNc1ccccc1 34a_100000106764_100000730141 [0,0,0,0,0,2|1,0,1]=4 1967 B12R1.27 C=CC(O)COc1ccccc1 34a_100000210340_100000730141 [0,0,0,0,0,2|1,0,1]=4 1968 B12R1.27 C=CC(O)COc1ccccc1 7a_100000210340_100000730141 [0,0,0,0,0,2|1,0,1]=4 1969 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000719477_100000730141 [0,0,0,0,0,2|1,0,1]=4 1970 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000730141_100000041952 [0,0,0,0,0,2|1,0,1]=4 1971 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100000737613_100015291786 [0,0,0,0,0,2|1,0,0]=3 1972 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100015324214_100000184139 [0,0,0,0,0,2|1,0,0]=3 1973 B12R1.27 CC(C#N)NCc1ccccn1 2230a_100000737613_100000721315 [0,0,0,0,0,2|2,0,0]=4 1974 B12R1.27 CC(C#N)NCc1cccnc1 2230a_100000737613_100000741622 [0,0,0,0,0,2|2,0,0]=4 1975 B12R1.27 CC(C#N)NCc1ccncc1 2230a_100000737613_100015193705 [0,0,0,0,0,2|2,0,0]=4 1976 B12R1.27 CC(C#N)OCc1ccccc1 34a_100011218135_100015291786 [0,0,0,0,0,2|1,0,0]=3 1977 B12R1.27 CC(C#N)OCc1ccccc1 7a_100000210790_100000703298 [0,0,0,0,0,2|1,0,0]=3 1978 B12R1.27 CC(C#N)OCc1ccccn1 34a_100011218135_100000721315 [0,0,0,0,0,2|2,0,0]=4 1979 B12R1.27 CC(C#N)OCc1cccnc1 34a_100011218135_100000733263 [0,0,0,0,0,2|2,0,0]=4 1980 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000211182_100000703298 [0,0,0,0,0,2|1,0,0]=3 1981 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000703298_100015291786 [0,0,0,0,0,2|1,0,0]=3 1982 B12R1.27 CC(C#N)SCc1ccccn1 62a_100000703298_100000721315 [0,0,0,0,0,2|2,0,0]=4 1983 B12R1.27 CC(C#N)SCc1ccccn1 62a_100000721315_100000703298 [0,0,0,0,0,2|2,0,0]=4 1984 B12R1.27 CC(C#N)SCc1cccnc1 62a_100000703298_100000741622 [0,0,0,0,0,2|2,0,0]=4 1985 B12R1.27 CC(C#N)SCc1cccnc1 62a_100000741622_100000703298 [0,0,0,0,0,2|2,0,0]=4 1986 B12R1.27 CC(C#N)SCc1ccncc1 62a_100000703298_100015193705 [0,0,0,0,0,2|2,0,0]=4 1987 B12R1.27 CC(C#N)SCc1ccncc1 62a_100015193705_100000703298 [0,0,0,0,0,2|2,0,0]=4 1988 B12R1.27 CCC(O)CNc1ccccc1 34a_100000106764_100011218378 [0,0,0,0,0,2|1,0,1]=4 1989 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [0,0,0,0,0,2|1,0,1]=4 1990 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [0,0,0,0,0,2|1,0,1]=4 1991 B12R1.27 CCC(O)CSc1ccccc1 62a_100000719477_100011218378 [0,0,0,0,0,2|1,0,1]=4 1992 B12R1.27 CCC(O)CSc1ccccc1 62a_100011218378_100000041952 [0,0,0,0,0,2|1,0,1]=4 1993 B12R1.27 N#CC(F)SCc1ccccc1 62a_100000211182_200000117898 [0,0,0,0,0,2|1,0,0]=3 1994 B12R1.27 N#CC(F)SCc1ccccc1 62a_200000117898_100015291786 [0,0,0,0,0,2|1,0,0]=3 1995 B12R1.27 N#CC(F)SCc1ccccn1 62a_100000721315_200000117898 [0,0,0,0,0,2|2,0,0]=4 1996 B12R1.27 N#CC(F)SCc1ccccn1 62a_200000117898_100000721315 [0,0,0,0,0,2|2,0,0]=4 1997 B12R1.27 N#CC(F)SCc1cccnc1 62a_100000741622_200000117898 [0,0,0,0,0,2|2,0,0]=4 1998 B12R1.27 N#CC(F)SCc1cccnc1 62a_200000117898_100000741622 [0,0,0,0,0,2|2,0,0]=4 1999 B12R1.27 N#CC(F)SCc1ccncc1 62a_100015193705_200000117898 [0,0,0,0,0,2|2,0,0]=4 2000 B12R1.27 N#CC(F)SCc1ccncc1 62a_200000117898_100015193705 [0,0,0,0,0,2|2,0,0]=4 2001 B12R1.27 OCC(O)CNc1ccccc1 34a_100000106764_100011219619 [0,0,0,0,0,2|1,0,1]=4 2002 B12R1.27 OCC(O)COc1ccccc1 34a_100000210340_100011219619 [0,0,0,0,0,2|1,0,1]=4 2003 B12R1.27 OCC(O)COc1ccccc1 7a_100000210340_100011219619 [0,0,0,0,0,2|1,0,1]=4 2004 B12R1.27 OCC(O)CSc1ccccc1 62a_100000719477_100011219619 [0,0,0,0,0,2|1,0,1]=4 2005 B12R1.27 OCC(O)CSc1ccccc1 62a_100011219619_100000041952 [0,0,0,0,0,2|1,0,1]=4 2006 B12R1.27 OC[C@H](O)CNc1ccccc1 34a_100000106764_100009815848 [0,0,0,0,0,2|1,0,1]=4 2007 B12R1.27 OC[C@H](O)COc1ccccc1 34a_100000210340_100009815848 [0,0,0,0,0,2|1,0,1]=4 2008 B12R1.27 OC[C@H](O)COc1ccccc1 7a_100000210340_100009815848 [0,0,0,0,0,2|1,0,1]=4 2009 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100000719477_100009815848 [0,0,0,0,0,2|1,0,1]=4 2010 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100009815848_100000041952 [0,0,0,0,0,2|1,0,1]=4 2011 B12R1.27 O[C@@H](CF)CNc1ccccc1 34a_100000106764_100015614560 [0,0,0,0,0,2|1,0,1]=4 2012 B12R1.27 O[C@@H](CF)COc1ccccc1 34a_100000210340_100015614560 [0,0,0,0,0,2|1,0,1]=4 2013 B12R1.27 O[C@@H](CF)COc1ccccc1 7a_100000210340_100015614560 [0,0,0,0,0,2|1,0,1]=4 2014 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100000719477_100015614560 [0,0,0,0,0,2|1,0,1]=4 2015 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100015614560_100000041952 [0,0,0,0,0,2|1,0,1]=4