0 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.15 CC(N[13CH3])c1ccncc1 2230a_100000181269_200025704644 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.15 CC(N[13CH3])c1ncccn1 2230a_100020641698_200025704644 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200000703233_200025704644 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200025704644_200000703233 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.15 CNC(C)c1cccnn1 269862a_106832991636_100009866853 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.15 CNC(C)c1ccncc1 2230a_100000181269_200000210301 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.15 CNC(C)c1ccncc1 269862a_106832991636_100000185792 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.15 CNC(C)c1ccnnc1 269862a_106832991636_100012182992 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.15 CNC(C)c1cnccn1 2230a_106832991635_200000703233 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.15 CNC(C)c1cnccn1 269862a_106832991636_100000751083 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.15 CNC(C)c1cnccn1 7a_106832991635_200000703233 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.15 CNC(C)c1cncnc1 269862a_106832991636_100000757475 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.15 CNC(C)c1ncccn1 2230a_100020641698_200000210301 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.15 CNC(C)c1ncccn1 270004a_106832991635_100011350828 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [0,0,0,0,0,0|2,0,0]=2 43 B10R1.15 CN[C@H](C)c1cnccn1 2230a_100020589798_200000210301 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [0,0,0,0,0,0|2,0,0]=2 46 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [0,0,0,0,0,0|2,0,0]=2 47 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [0,0,0,0,0,0|2,0,0]=2 48 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [0,0,0,0,0,0|2,0,0]=2 49 B10R1.15 CSC(C)c1cnccn1 62a_200000210301_200000703233 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.15 CSC(C)c1cnccn1 62a_200000703233_200000210301 [0,0,0,0,0,0|4,0,0]=4 51 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [0,0,0,0,0,0|2,0,0]=2 52 B10R1.15 C[C@@H](N[13CH3])c1cnccn1 2230a_100020589798_200025704644 [0,0,0,0,0,0|4,0,0]=4 53 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [0,0,0,0,0,0|2,0,0]=2 54 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [0,0,0,0,0,0|2,0,0]=2 55 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [0,0,0,0,0,0|2,0,2]=4 56 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [1,0,0,0,0,0|0,0,1]=2 57 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [1,0,0,0,0,0|1,0,1]=3 58 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [1,0,0,0,0,0|1,0,1]=3 59 B9R1.6 C=C(C)c1cccnn1 271570a_100000694244_100016991348 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [1,0,0,0,0,0|1,0,1]=3 61 B9R1.6 C=C(C)c1ccncn1 271570a_100000694244_100000703185 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.6 C=C(C)c1ccnnc1 271570a_100000694244_100000732662 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.6 C=C(C)c1cncnc1 271570a_100000694244_100011206942 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.6 C=C(C)c1ncccn1 271570a_100000694244_100000211032 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [1,0,0,0,0,0|0,0,1]=2 67 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [1,0,0,0,0,0|1,0,1]=3 68 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [1,0,0,0,0,0|1,0,1]=3 69 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [1,0,0,0,0,0|1,0,1]=3 70 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [1,0,0,0,0,0|1,0,1]=3 71 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [1,0,0,0,0,0|1,0,1]=3 72 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [1,0,0,0,0,0|1,0,1]=3 73 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [1,0,0,0,0,0|0,0,1]=2 74 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [1,0,0,0,0,0|1,0,2]=4 75 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,0,0,0,0,0|1,0,1]=3 76 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,0,0,0,0,0|2,0,1]=4 81 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,0,0,0,0,0|2,0,0]=3 90 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,0,0,0,0,0|2,0,0]=3 110 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [1,0,0,0,0,0|2,0,1]=4 122 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,0,0,0,0,0|2,0,0]=3 128 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [1,0,0,0,0,0|3,0,0]=4 134 B11R1.7 CC(C)(N[13CH3])c1ccccc1 2230a_100011218174_200025704644 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.7 CC(C)(N[13CH3])c1ccccn1 2230a_100011999416_200025704644 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.7 CC(C)(N[13CH3])c1cccnc1 2230a_100011376175_200025704644 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.7 CC(C)(O[13CH3])c1ccccc1 7a_100000694644_200025704644 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.7 CC(C)(O[13CH3])c1ccccn1 7a_100000041474_200025704644 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.7 CC(C)(S[13CH3])c1ccccc1 62a_100000034625_200025704644 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.7 CC(C)(S[13CH3])c1ccccc1 62a_200025704644_100000034625 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.7 CNC(C)(C)c1ccccc1 2230a_100011218174_200000210301 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.7 CNC(C)(C)c1ccccc1 2230a_106832991635_100000034625 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.7 CNC(C)(C)c1ccccn1 2230a_100011999416_200000210301 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.7 CNC(C)(C)c1cccnc1 2230a_100011376175_200000210301 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.7 CNC(F)(F)c1ccccc1 7a_106832991635_100000036403 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.7 COC(C)(C)c1ccccc1 7a_100000694644_200000210301 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.7 COC(C)(C)c1ccccn1 7a_100000041474_200000210301 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.7 CSC(C)(C)c1ccccc1 62a_100000034625_200000210301 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.7 CSC(C)(C)c1ccccc1 62a_200000210301_100000034625 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.7 CSC(F)(F)c1ccccc1 62a_200000210301_100000036403 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.7 [13CH3]SC(F)(F)c1ccccc1 62a_200025704644_100000036403 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.12 C#CC(OC)c1ccccc1 34a_100011219616_200000210301 [0,1,0,0,0,0|1,0,1]=3 153 B11R1.12 C#CC(OC)c1ccccc1 7a_100011219616_200000210301 [0,1,0,0,0,0|1,0,1]=3 154 B11R1.12 C#CC(O[13CH3])c1ccccc1 34a_100011219616_200025704644 [0,1,0,0,0,0|1,0,1]=3 155 B11R1.12 C#CC(O[13CH3])c1ccccc1 7a_100011219616_200025704644 [0,1,0,0,0,0|1,0,1]=3 156 B11R1.12 C=CC(NC)c1ccccc1 2230a_106832991635_200000085779 [0,1,0,0,0,0|1,0,0]=2 157 B11R1.12 C=CC(OC)c1ccccc1 34a_100011215659_200000210301 [0,1,0,0,0,0|1,0,0]=2 158 B11R1.12 C=CC(OC)c1ccccc1 7a_100011215659_200000210301 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.12 C=CC(O[13CH3])c1ccccc1 34a_100011215659_200025704644 [0,1,0,0,0,0|1,0,0]=2 160 B11R1.12 C=CC(O[13CH3])c1ccccc1 7a_100011215659_200025704644 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.12 C=CC(SC)c1ccccc1 62a_200000085779_200000210301 [0,1,0,0,0,0|1,0,0]=2 162 B11R1.12 C=CC(SC)c1ccccc1 62a_200000210301_200000085779 [0,1,0,0,0,0|1,0,0]=2 163 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200000085779_200025704644 [0,1,0,0,0,0|1,0,0]=2 164 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200025704644_200000085779 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.12 CCC(NC)c1ccccc1 2230a_100000737752_200000210301 [0,1,0,0,0,0|1,0,1]=3 166 B11R1.12 CCC(NC)c1ccccc1 269862a_106832991636_100000210124 [0,1,0,0,0,0|1,0,1]=3 167 B11R1.12 CCC(NC)c1ccccn1 2230a_100015186561_200000210301 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.12 CCC(NC)c1ccccn1 269862a_106832991636_100000748178 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.12 CCC(NC)c1cccnc1 2230a_100000246009_200000210301 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.12 CCC(NC)c1cccnc1 269862a_106832991636_100011218761 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.12 CCC(NC)c1ccncc1 269862a_106832991636_100011216016 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.12 CCC(N[13CH3])c1ccccc1 2230a_100000737752_200025704644 [0,1,0,0,0,0|1,0,1]=3 173 B11R1.12 CCC(N[13CH3])c1ccccn1 2230a_100015186561_200025704644 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.12 CCC(N[13CH3])c1cccnc1 2230a_100000246009_200025704644 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [0,1,0,0,0,0|1,0,1]=3 176 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [0,1,0,0,0,0|1,0,1]=3 177 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [0,1,0,0,0,0|1,0,1]=3 178 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [0,1,0,0,0,0|1,0,1]=3 179 B11R1.12 CCN(CC)c1ccccc1 2230a_100000210013_100000210202 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.12 CCN(CC)c1ccccc1 269982a_100000210013_100000204670 [0,1,0,0,0,0|2,0,1]=4 181 B11R1.12 CCN(CC)c1ccccc1 34a_100000210013_100000210202 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.12 CCN(CF)c1ccccc1 269982a_100000210013_100015361967 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.12 CCN(CF)c1ccccc1 34a_100000210013_100015361967 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.12 CNC(CO)c1ccccn1 2230a_100015196888_200000210301 [0,1,0,0,0,0|1,0,2]=4 185 B11R1.12 CN[C@H](CO)c1ccccc1 2230a_100000751927_200000210301 [0,1,0,0,0,0|0,0,2]=3 186 B11R1.12 CN[C@H](CO)c1ccccc1 34a_100000751927_200000210301 [0,1,0,0,0,0|0,0,2]=3 187 B11R1.12 CN[C@H](CO)c1ccncc1 2230a_100138412524_200000210301 [0,1,0,0,0,0|1,0,2]=4 188 B11R1.12 COC(C#N)c1ccccc1 7a_100011217353_200000210301 [0,1,0,0,0,0|1,0,1]=3 189 B11R1.12 COC(CBr)c1ccccc1 7a_100000185958_200000210301 [0,1,0,0,0,0|1,0,1]=3 190 B11R1.12 COC(CN)c1ccccc1 34a_100000210709_200000210301 [0,1,0,0,0,0|1,0,1]=3 191 B11R1.12 CO[C@H](CCl)c1ccccc1 34a_100011933945_200000210301 [0,1,0,0,0,0|1,0,1]=3 192 B11R1.12 CO[C@H](CCl)c1ccccc1 7a_100011933945_200000210301 [0,1,0,0,0,0|1,0,1]=3 193 B11R1.12 [13CH3]NC(CO)c1ccccn1 2230a_100015196888_200025704644 [0,1,0,0,0,0|1,0,2]=4 194 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 2230a_100000751927_200025704644 [0,1,0,0,0,0|0,0,2]=3 195 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 34a_100000751927_200025704644 [0,1,0,0,0,0|0,0,2]=3 196 B11R1.12 [13CH3]N[C@H](CO)c1ccncc1 2230a_100138412524_200025704644 [0,1,0,0,0,0|1,0,2]=4 197 B11R1.12 [13CH3]OC(C#N)c1ccccc1 7a_100011217353_200025704644 [0,1,0,0,0,0|1,0,1]=3 198 B11R1.12 [13CH3]OC(CBr)c1ccccc1 7a_100000185958_200025704644 [0,1,0,0,0,0|1,0,1]=3 199 B11R1.12 [13CH3]OC(CN)c1ccccc1 34a_100000210709_200025704644 [0,1,0,0,0,0|1,0,1]=3 200 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 34a_100011933945_200025704644 [0,1,0,0,0,0|1,0,1]=3 201 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 7a_100011933945_200025704644 [0,1,0,0,0,0|1,0,1]=3 202 B11R1.16 C#CCN(C)c1ccccc1 2230a_100000210012_100000038162 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.16 C#CCN(C)c1ccccc1 34a_100000210012_100000184674 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000210012_100000210623 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000211662_200000210301 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000210012_100000210623 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000211662_200000210301 [0,1,0,0,0,0|2,0,0]=3 209 B11R1.16 C=CCN(C)c1ccccc1 34a_100000210012_100015514636 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.16 C=CCN(C)c1ccccc1 34a_100000211662_200000210301 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.16 C=CCN([13CH3])c1ccccc1 2230a_100000211662_200025704644 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.16 C=CCN([13CH3])c1ccccc1 269982a_100000211662_200025704644 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.16 C=CCN([13CH3])c1ccccc1 34a_100000211662_200025704644 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [0,1,0,0,0,0|1,0,1]=3 215 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [0,1,0,0,0,0|1,0,1]=3 216 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [0,1,0,0,0,0|0,0,2]=3 217 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [0,1,0,0,0,0|0,0,2]=3 218 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [0,1,0,0,0,0|0,1,1]=3 219 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [0,1,0,0,0,0|0,1,1]=3 220 B11R1.16 CC(SCF)c1ccccc1 62a_100000230085_100015361967 [0,1,0,0,0,0|1,0,1]=3 221 B11R1.16 CC(SCF)c1ccccc1 62a_100015361967_100000230085 [0,1,0,0,0,0|1,0,1]=3 222 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [0,1,0,0,0,0|2,0,1]=4 224 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [0,1,0,0,0,0|2,0,1]=4 225 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [0,1,0,0,0,0|2,0,1]=4 230 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [0,1,0,0,0,0|1,0,1]=3 232 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [0,1,0,0,0,0|1,0,1]=3 233 B11R1.16 CCNC(C)c1ccccn1 2230a_100000181244_100000210202 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.16 CCNC(C)c1ccccn1 269862a_100015525214_100000210467 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.16 CCNC(C)c1cccnc1 2230a_100000195435_100000210202 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.16 CCNC(C)c1cccnc1 269862a_100015525214_100000210468 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.16 CCNC(C)c1ccncc1 2230a_100000181269_100000210202 [0,1,0,0,0,0|2,0,1]=4 238 B11R1.16 CCNC(C)c1ccncc1 269862a_100015525214_100000185792 [0,1,0,0,0,0|2,0,1]=4 239 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [0,1,0,0,0,0|1,0,1]=3 240 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [0,1,0,0,0,0|1,0,1]=3 241 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [0,1,0,0,0,0|1,0,1]=3 242 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [0,1,0,0,0,0|1,0,1]=3 243 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [0,1,0,0,0,0|1,0,1]=3 244 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [0,1,0,0,0,0|1,0,1]=3 245 B11R1.16 CN(CC#N)c1ccccc1 2230a_100000210012_100011215382 [0,1,0,0,0,0|2,0,1]=4 246 B11R1.16 CN(CC#N)c1ccccc1 269982a_100000210012_100011214920 [0,1,0,0,0,0|2,0,1]=4 247 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [0,1,0,0,0,0|1,0,0]=2 248 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [0,1,0,0,0,0|1,0,0]=2 249 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [0,1,0,0,0,0|1,0,0]=2 250 B11R1.16 CN(CCF)c1ccccc1 2230a_100000210012_100011217306 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.16 CN(CCF)c1ccccc1 269982a_100000210012_100011217306 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.16 CN(CCF)c1ccccc1 34a_100000210012_100011217306 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.16 CN(CCO)c1ccccc1 2230a_100000210012_100000211926 [0,1,0,0,0,0|1,0,2]=4 254 B11R1.16 CN(CCO)c1ccccc1 2230a_100000211345_200000210301 [0,1,0,0,0,0|1,0,2]=4 255 B11R1.16 CN(CCO)c1ccccc1 269982a_100000210012_100000211926 [0,1,0,0,0,0|1,0,2]=4 256 B11R1.16 CN(CCO)c1ccccc1 269982a_100000211345_200000210301 [0,1,0,0,0,0|1,0,2]=4 257 B11R1.16 CN(CCO)c1ccccc1 34a_100000210012_100000211926 [0,1,0,0,0,0|1,0,2]=4 258 B11R1.16 CN(CCO)c1ccccc1 34a_100000211345_200000210301 [0,1,0,0,0,0|1,0,2]=4 259 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [0,1,0,0,0,0|1,0,1]=3 260 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [0,1,0,0,0,0|1,0,1]=3 261 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [0,1,0,0,0,0|1,0,1]=3 262 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [0,1,0,0,0,0|1,0,1]=3 263 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [0,1,0,0,0,0|1,0,1]=3 264 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [0,1,0,0,0,0|1,0,1]=3 265 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [0,1,0,0,0,0|2,0,1]=4 266 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [0,1,0,0,0,0|2,0,1]=4 267 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [0,1,0,0,0,0|2,0,1]=4 268 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [0,1,0,0,0,0|2,0,1]=4 269 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [0,1,0,0,0,0|2,0,1]=4 270 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [0,1,0,0,0,0|2,0,1]=4 271 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [0,1,0,0,0,0|2,0,1]=4 272 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [0,1,0,0,0,0|0,0,2]=3 273 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [0,1,0,0,0,0|0,0,2]=3 274 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [0,1,0,0,0,0|0,0,2]=3 275 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [0,1,0,0,0,0|1,0,2]=4 276 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [0,1,0,0,0,0|1,0,2]=4 277 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [0,1,0,0,0,0|1,0,2]=4 278 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [0,1,0,0,0,0|1,0,2]=4 279 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [0,1,0,0,0,0|1,0,2]=4 280 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [0,1,0,0,0,0|0,1,1]=3 281 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [0,1,0,0,0,0|0,1,1]=3 282 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [0,1,0,0,0,0|1,1,1]=4 283 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [0,1,0,0,0,0|1,1,1]=4 284 B11R1.16 CSCN(C)c1ccccc1 2230a_100000210012_100011218213 [0,1,0,0,0,0|1,1,1]=4 285 B11R1.16 CSCN(C)c1ccccc1 269982a_100000210012_100011218213 [0,1,0,0,0,0|1,1,1]=4 286 B11R1.16 CSCN(C)c1ccccc1 34a_100000210012_100011218213 [0,1,0,0,0,0|1,1,1]=4 287 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [0,1,0,0,0,0|1,1,1]=4 288 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [0,1,0,0,0,0|1,1,1]=4 289 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [0,1,0,0,0,0|1,0,1]=3 290 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [0,1,0,0,0,0|1,0,1]=3 291 B11R1.16 [13CH3]N(CCO)c1ccccc1 2230a_100000211345_200025704644 [0,1,0,0,0,0|1,0,2]=4 292 B11R1.16 [13CH3]N(CCO)c1ccccc1 269982a_100000211345_200025704644 [0,1,0,0,0,0|1,0,2]=4 293 B11R1.16 [13CH3]N(CCO)c1ccccc1 34a_100000211345_200025704644 [0,1,0,0,0,0|1,0,2]=4 294 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [0,1,0,0,0,0|2,0,1]=4 295 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [0,1,0,0,0,0|1,0,2]=4 296 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [0,1,0,0,0,0|1,1,1]=4 297 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [0,1,0,0,0,0|1,1,1]=4 298 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [0,1,0,0,0,0|1,1,1]=4 299 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [0,1,0,0,0,0|1,1,1]=4 300 B11R1.22 CC(C#N)c1ccc(cc1)O 271570a_203496583355_100000695319 [0,1,0,0,0,0|1,0,1]=3 301 B11R1.22 CC(N[13CH3])c1ccc(cn1)Br 2230a_100000723930_200025704644 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 34a_100000745893_200025704644 [0,1,0,0,0,0|2,0,0]=3 303 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 7a_100000745893_200025704644 [0,1,0,0,0,0|2,0,0]=3 304 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 34a_100000181323_200025704644 [0,1,0,0,0,0|2,0,0]=3 305 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 7a_100000181323_200025704644 [0,1,0,0,0,0|2,0,0]=3 306 B11R1.22 CC(O[13CH3])c1ccc(cc1)N 34a_100011216399_200025704644 [0,1,0,0,0,0|2,0,0]=3 307 B11R1.22 CC(O[13CH3])c1ccc(cn1)Br 34a_100012353650_200025704644 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.22 CC(O[13CH3])c1ccc(cn1)Br 7a_100012353650_200025704644 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.22 CC(O[13CH3])c1ccc(nc1)Br 34a_200010274204_200025704644 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.22 CC(O[13CH3])c1ccc(nc1)Br 7a_200010274204_200025704644 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.22 CC(O[13CH3])c1ccc(nc1)Cl 34a_200012017543_200025704644 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.22 CC(O[13CH3])c1ccc(nc1)Cl 7a_200012017543_200025704644 [0,1,0,0,0,0|3,0,0]=4 313 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_100000755118_200025704644 [0,1,0,0,0,0|2,0,0]=3 314 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_200025704644_100000755118 [0,1,0,0,0,0|2,0,0]=3 315 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_100000684792_200025704644 [0,1,0,0,0,0|2,0,0]=3 316 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_200025704644_100000684792 [0,1,0,0,0,0|2,0,0]=3 317 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_100000743420_200025704644 [0,1,0,0,0,0|2,0,0]=3 318 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_200025704644_100000743420 [0,1,0,0,0,0|2,0,0]=3 319 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [0,1,0,0,0,0|1,0,1]=3 320 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [0,1,0,0,0,0|2,0,1]=4 321 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210202 [0,1,0,0,0,0|2,0,1]=4 322 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219632_200000210301 [0,1,0,0,0,0|2,0,1]=4 323 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000204670 [0,1,0,0,0,0|2,0,1]=4 324 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219632_200000210301 [0,1,0,0,0,0|2,0,1]=4 325 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219623_100000210202 [0,1,0,0,0,0|2,0,1]=4 326 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219632_200000210301 [0,1,0,0,0,0|2,0,1]=4 327 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210202 [0,1,0,0,0,0|2,0,1]=4 328 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219985_200000210301 [0,1,0,0,0,0|2,0,1]=4 329 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219977_100000204670 [0,1,0,0,0,0|2,0,1]=4 330 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219985_200000210301 [0,1,0,0,0,0|2,0,1]=4 331 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219977_100000210202 [0,1,0,0,0,0|2,0,1]=4 332 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219985_200000210301 [0,1,0,0,0,0|2,0,1]=4 333 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100000220165_200000210301 [0,1,0,0,0,0|2,0,1]=4 334 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210202 [0,1,0,0,0,0|2,0,1]=4 335 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100000220165_200000210301 [0,1,0,0,0,0|2,0,1]=4 336 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000204670 [0,1,0,0,0,0|2,0,1]=4 337 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100000220165_200000210301 [0,1,0,0,0,0|2,0,1]=4 338 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210202 [0,1,0,0,0,0|2,0,1]=4 339 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100000219829_100000210202 [0,1,0,0,0,0|2,0,1]=4 340 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100102640331_200000210301 [0,1,0,0,0,0|2,0,1]=4 341 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100000219829_100000204670 [0,1,0,0,0,0|2,0,1]=4 342 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100102640331_200000210301 [0,1,0,0,0,0|2,0,1]=4 343 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100000219829_100000210202 [0,1,0,0,0,0|2,0,1]=4 344 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100102640331_200000210301 [0,1,0,0,0,0|2,0,1]=4 345 B11R1.22 CCN(C)c1ccc(cc1)I 2230a_100000743151_100000210202 [0,1,0,0,0,0|2,0,1]=4 346 B11R1.22 CCN(C)c1ccc(cc1)I 269982a_100000743151_100000204670 [0,1,0,0,0,0|2,0,1]=4 347 B11R1.22 CCN(C)c1ccc(cc1)I 34a_100000743151_100000210202 [0,1,0,0,0,0|2,0,1]=4 348 B11R1.22 CCN(C)c1ccc(cc1)O 2230a_100011337800_200000210301 [0,1,0,0,0,0|2,0,1]=4 349 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100000182112_100000204670 [0,1,0,0,0,0|2,0,1]=4 350 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100011337800_200000210301 [0,1,0,0,0,0|2,0,1]=4 351 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100000182112_100000210202 [0,1,0,0,0,0|2,0,1]=4 352 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100011337800_200000210301 [0,1,0,0,0,0|2,0,1]=4 353 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 2230a_100000219632_200025704644 [0,1,0,0,0,0|2,0,1]=4 354 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 269982a_100000219632_200025704644 [0,1,0,0,0,0|2,0,1]=4 355 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 34a_100000219632_200025704644 [0,1,0,0,0,0|2,0,1]=4 356 B11R1.22 CCN([13CH3])c1ccc(cc1)C 2230a_100000219985_200025704644 [0,1,0,0,0,0|2,0,1]=4 357 B11R1.22 CCN([13CH3])c1ccc(cc1)C 269982a_100000219985_200025704644 [0,1,0,0,0,0|2,0,1]=4 358 B11R1.22 CCN([13CH3])c1ccc(cc1)C 34a_100000219985_200025704644 [0,1,0,0,0,0|2,0,1]=4 359 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 2230a_100000220165_200025704644 [0,1,0,0,0,0|2,0,1]=4 360 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 269982a_100000220165_200025704644 [0,1,0,0,0,0|2,0,1]=4 361 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 34a_100000220165_200025704644 [0,1,0,0,0,0|2,0,1]=4 362 B11R1.22 CCN([13CH3])c1ccc(cc1)F 2230a_100102640331_200025704644 [0,1,0,0,0,0|2,0,1]=4 363 B11R1.22 CCN([13CH3])c1ccc(cc1)F 269982a_100102640331_200025704644 [0,1,0,0,0,0|2,0,1]=4 364 B11R1.22 CCN([13CH3])c1ccc(cc1)F 34a_100102640331_200025704644 [0,1,0,0,0,0|2,0,1]=4 365 B11R1.22 CCN([13CH3])c1ccc(cc1)O 2230a_100011337800_200025704644 [0,1,0,0,0,0|2,0,1]=4 366 B11R1.22 CCN([13CH3])c1ccc(cc1)O 269982a_100011337800_200025704644 [0,1,0,0,0,0|2,0,1]=4 367 B11R1.22 CCN([13CH3])c1ccc(cc1)O 34a_100011337800_200025704644 [0,1,0,0,0,0|2,0,1]=4 368 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [0,1,0,0,0,0|2,0,1]=4 369 B11R1.22 CN(CF)c1ccc(cc1)Br 269982a_100000219623_100015361967 [0,1,0,0,0,0|2,0,1]=4 370 B11R1.22 CN(CF)c1ccc(cc1)Br 34a_100000219623_100015361967 [0,1,0,0,0,0|2,0,1]=4 371 B11R1.22 CN(CF)c1ccc(cc1)Cl 269982a_100020629279_100015361967 [0,1,0,0,0,0|2,0,1]=4 372 B11R1.22 CN(CF)c1ccc(cc1)Cl 34a_100020629279_100015361967 [0,1,0,0,0,0|2,0,1]=4 373 B11R1.22 CN(CF)c1ccc(cc1)F 269982a_100000219829_100015361967 [0,1,0,0,0,0|2,0,1]=4 374 B11R1.22 CN(CF)c1ccc(cc1)F 34a_100000219829_100015361967 [0,1,0,0,0,0|2,0,1]=4 375 B11R1.22 CN(CF)c1ccc(cc1)I 269982a_100000743151_100015361967 [0,1,0,0,0,0|2,0,1]=4 376 B11R1.22 CN(CF)c1ccc(cc1)I 34a_100000743151_100015361967 [0,1,0,0,0,0|2,0,1]=4 377 B11R1.22 CN(CF)c1ccc(cc1)O 269982a_100000182112_100015361967 [0,1,0,0,0,0|2,0,1]=4 378 B11R1.22 CN(CF)c1ccc(cc1)O 34a_100000182112_100015361967 [0,1,0,0,0,0|2,0,1]=4 379 B11R1.22 CNC(C)c1cc[n+](cc1)[O-] 269862a_106832991636_100000076990 [0,1,0,0,0,0|3,0,0]=4 380 B11R1.22 CNC(C)c1ccc(cc1)Br 2230a_106832991635_100000755118 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.22 CNC(C)c1ccc(cc1)Br 269862a_106832991636_100000185794 [0,1,0,0,0,0|2,0,0]=3 382 B11R1.22 CNC(C)c1ccc(cc1)Br 34a_100102657272_100000755118 [0,1,0,0,0,0|2,0,0]=3 383 B11R1.22 CNC(C)c1ccc(cc1)C 2230a_106832991635_100011261388 [0,1,0,0,0,0|2,0,0]=3 384 B11R1.22 CNC(C)c1ccc(cc1)C 269862a_106832991636_100000185793 [0,1,0,0,0,0|2,0,0]=3 385 B11R1.22 CNC(C)c1ccc(cc1)C 34a_100102657272_100011261388 [0,1,0,0,0,0|2,0,0]=3 386 B11R1.22 CNC(C)c1ccc(cc1)C 7a_106832991635_100011261388 [0,1,0,0,0,0|2,0,0]=3 387 B11R1.22 CNC(C)c1ccc(cc1)Cl 2230a_106832991635_100000684792 [0,1,0,0,0,0|2,0,0]=3 388 B11R1.22 CNC(C)c1ccc(cc1)Cl 269862a_106832991636_100000185797 [0,1,0,0,0,0|2,0,0]=3 389 B11R1.22 CNC(C)c1ccc(cc1)Cl 7a_106832991635_100000684792 [0,1,0,0,0,0|2,0,0]=3 390 B11R1.22 CNC(C)c1ccc(cc1)F 2230a_106832991635_100000743420 [0,1,0,0,0,0|2,0,0]=3 391 B11R1.22 CNC(C)c1ccc(cc1)F 269862a_106832991636_100000185800 [0,1,0,0,0,0|2,0,0]=3 392 B11R1.22 CNC(C)c1ccc(cc1)F 34a_100102657272_100000743420 [0,1,0,0,0,0|2,0,0]=3 393 B11R1.22 CNC(C)c1ccc(cc1)F 7a_106832991635_100000743420 [0,1,0,0,0,0|2,0,0]=3 394 B11R1.22 CNC(C)c1ccc(cc1)I 269862a_106832991636_100000185465 [0,1,0,0,0,0|2,0,0]=3 395 B11R1.22 CNC(C)c1ccc(cc1)O 271570a_203496583355_100000231103 [0,1,0,0,0,0|2,0,0]=3 396 B11R1.22 CNC(C)c1ccc(cn1)Br 2230a_100000723930_200000210301 [0,1,0,0,0,0|3,0,0]=4 397 B11R1.22 CNC(C)c1ccc(cn1)Br 269862a_106832991636_100000686046 [0,1,0,0,0,0|3,0,0]=4 398 B11R1.22 CNC(C)c1ccc(cn1)Br 270004a_106832991635_100000686046 [0,1,0,0,0,0|3,0,0]=4 399 B11R1.22 CNC(C)c1ccc(cn1)C 269862a_106832991636_100000084104 [0,1,0,0,0,0|3,0,0]=4 400 B11R1.22 CNC(C)c1ccc(cn1)C 270004a_106832991635_100000084104 [0,1,0,0,0,0|3,0,0]=4 401 B11R1.22 CNC(C)c1ccc(cn1)Cl 269862a_106832991636_100000692432 [0,1,0,0,0,0|3,0,0]=4 402 B11R1.22 CNC(C)c1ccc(cn1)Cl 270004a_106832991635_100000692432 [0,1,0,0,0,0|3,0,0]=4 403 B11R1.22 CNC(C)c1ccc(cn1)F 269862a_106832991636_100102946652 [0,1,0,0,0,0|3,0,0]=4 404 B11R1.22 CNC(C)c1ccc(cn1)F 270004a_106832991635_100102946652 [0,1,0,0,0,0|3,0,0]=4 405 B11R1.22 CNC(C)c1ccc(nc1)Br 269862a_106832991636_100000684857 [0,1,0,0,0,0|3,0,0]=4 406 B11R1.22 CNC(C)c1ccc(nc1)C 2230a_100011815741_200000210301 [0,1,0,0,0,0|3,0,0]=4 407 B11R1.22 CNC(C)c1ccc(nc1)C 269862a_106832991636_100011280547 [0,1,0,0,0,0|3,0,0]=4 408 B11R1.22 CNC(C)c1ccc(nc1)C 34a_100011815741_200000210301 [0,1,0,0,0,0|3,0,0]=4 409 B11R1.22 CNC(C)c1ccc(nc1)Cl 269862a_106832991636_100000690552 [0,1,0,0,0,0|3,0,0]=4 410 B11R1.22 CNC(C)c1ccc(nc1)F 269862a_106832991636_100000085738 [0,1,0,0,0,0|3,0,0]=4 411 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_200000210301 [0,1,0,0,0,0|2,0,0]=3 412 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 34a_100025705893_200000210301 [0,1,0,0,0,0|2,0,0]=3 413 B11R1.22 CN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_200000210301 [0,1,0,0,0,0|2,0,0]=3 414 B11R1.22 CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000210301 [0,1,0,0,0,0|2,0,0]=3 415 B11R1.22 CN[C@@H](C)c1ccc(nc1)Br 2230a_100015387476_200000210301 [0,1,0,0,0,0|3,0,0]=4 416 B11R1.22 CN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_200000210301 [0,1,0,0,0,0|2,0,0]=3 417 B11R1.22 CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_200000210301 [0,1,0,0,0,0|2,0,0]=3 418 B11R1.22 CN[C@H](C)c1ccc(cc1)C 34a_100016988085_200000210301 [0,1,0,0,0,0|2,0,0]=3 419 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_200000210301 [0,1,0,0,0,0|2,0,0]=3 420 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_200000210301 [0,1,0,0,0,0|2,0,0]=3 421 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100000745893_200000210301 [0,1,0,0,0,0|2,0,0]=3 422 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100138415774_100000755118 [0,1,0,0,0,0|2,0,0]=3 423 B11R1.22 COC(C)c1ccc(cc1)Br 7a_100000745893_200000210301 [0,1,0,0,0,0|2,0,0]=3 424 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [0,1,0,0,0,0|2,0,0]=3 425 B11R1.22 COC(C)c1ccc(cc1)F 34a_100000181323_200000210301 [0,1,0,0,0,0|2,0,0]=3 426 B11R1.22 COC(C)c1ccc(cc1)F 34a_100138415774_100000743420 [0,1,0,0,0,0|2,0,0]=3 427 B11R1.22 COC(C)c1ccc(cc1)F 7a_100000181323_200000210301 [0,1,0,0,0,0|2,0,0]=3 428 B11R1.22 COC(C)c1ccc(cc1)N 34a_100011216399_200000210301 [0,1,0,0,0,0|2,0,0]=3 429 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [0,1,0,0,0,0|2,0,0]=3 430 B11R1.22 COC(C)c1ccc(cn1)Br 34a_100012353650_200000210301 [0,1,0,0,0,0|3,0,0]=4 431 B11R1.22 COC(C)c1ccc(cn1)Br 7a_100012353650_200000210301 [0,1,0,0,0,0|3,0,0]=4 432 B11R1.22 COC(C)c1ccc(nc1)Br 34a_200010274204_200000210301 [0,1,0,0,0,0|3,0,0]=4 433 B11R1.22 COC(C)c1ccc(nc1)Br 7a_200010274204_200000210301 [0,1,0,0,0,0|3,0,0]=4 434 B11R1.22 COC(C)c1ccc(nc1)C 34a_200011815720_200000210301 [0,1,0,0,0,0|3,0,0]=4 435 B11R1.22 COC(C)c1ccc(nc1)C 7a_200011815720_200000210301 [0,1,0,0,0,0|3,0,0]=4 436 B11R1.22 COC(C)c1ccc(nc1)Cl 34a_200012017543_200000210301 [0,1,0,0,0,0|3,0,0]=4 437 B11R1.22 COC(C)c1ccc(nc1)Cl 7a_200012017543_200000210301 [0,1,0,0,0,0|3,0,0]=4 438 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200000210301 [0,1,0,0,0,0|2,0,0]=3 439 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_200000210301 [0,1,0,0,0,0|2,0,0]=3 440 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [0,1,0,0,0,0|2,0,0]=3 441 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [0,1,0,0,0,0|2,0,0]=3 442 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_100000755118_200000210301 [0,1,0,0,0,0|2,0,0]=3 443 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_200000210301_100000755118 [0,1,0,0,0,0|2,0,0]=3 444 B11R1.22 CSC(C)c1ccc(cc1)C 62a_100011261388_200000210301 [0,1,0,0,0,0|2,0,0]=3 445 B11R1.22 CSC(C)c1ccc(cc1)C 62a_200000210301_100011261388 [0,1,0,0,0,0|2,0,0]=3 446 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_100000684792_200000210301 [0,1,0,0,0,0|2,0,0]=3 447 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_200000210301_100000684792 [0,1,0,0,0,0|2,0,0]=3 448 B11R1.22 CSC(C)c1ccc(cc1)F 62a_100000743420_200000210301 [0,1,0,0,0,0|2,0,0]=3 449 B11R1.22 CSC(C)c1ccc(cc1)F 62a_200000210301_100000743420 [0,1,0,0,0,0|2,0,0]=3 450 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Br 2230a_100000720352_200025704644 [0,1,0,0,0,0|2,0,0]=3 451 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015205461_200025704644 [0,1,0,0,0,0|2,0,0]=3 452 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 34a_100015205461_200025704644 [0,1,0,0,0,0|2,0,0]=3 453 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 2230a_100025705893_200025704644 [0,1,0,0,0,0|2,0,0]=3 454 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 34a_100025705893_200025704644 [0,1,0,0,0,0|2,0,0]=3 455 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)I 2230a_100000753911_200025704644 [0,1,0,0,0,0|2,0,0]=3 456 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)O 2230a_100161106496_200025704644 [0,1,0,0,0,0|2,0,0]=3 457 B11R1.22 C[C@H](N[13CH3])c1ccc(nc1)Br 2230a_100015387476_200025704644 [0,1,0,0,0,0|3,0,0]=4 458 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 34a_100011852131_200025704644 [0,1,0,0,0,0|2,0,0]=3 459 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 7a_100011852131_200025704644 [0,1,0,0,0,0|2,0,0]=3 460 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_100011261388_200025704644 [0,1,0,0,0,0|2,0,0]=3 461 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_200025704644_100011261388 [0,1,0,0,0,0|2,0,0]=3 462 B11R1.22 Cc1ccc(cc1)N(C)CF 269982a_100000219977_100015361967 [0,1,0,0,0,0|2,0,1]=4 463 B11R1.22 Cc1ccc(cc1)N(C)CF 34a_100000219977_100015361967 [0,1,0,0,0,0|2,0,1]=4 464 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100016988085_200025704644 [0,1,0,0,0,0|2,0,0]=3 465 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 34a_100016988085_200025704644 [0,1,0,0,0,0|2,0,0]=3 466 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [0,1,0,0,0,0|2,0,0]=3 467 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [0,1,0,0,0,0|2,0,0]=3 468 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 2230a_100011815741_200025704644 [0,1,0,0,0,0|3,0,0]=4 469 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 34a_100011815741_200025704644 [0,1,0,0,0,0|3,0,0]=4 470 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 34a_200011815720_200025704644 [0,1,0,0,0,0|3,0,0]=4 471 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 7a_200011815720_200025704644 [0,1,0,0,0,0|3,0,0]=4 472 B11R1.22 N#CC(N)c1ccc(cc1)O 271570a_203496583355_106722365845 [0,1,0,0,0,0|2,0,1]=4 473 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [0,1,0,0,0,0|1,0,2]=4 474 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [0,1,0,0,0,0|2,0,1]=4 475 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [0,1,0,0,0,0|1,0,1]=3 476 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [0,1,0,0,0,0|1,0,2]=4 477 B11R1.22 [2H]C(OC)c1ccc(cc1)F 34a_217856618577_200000210301 [0,1,0,0,0,0|3,0,0]=4 478 B11R1.22 [2H]C(OC)c1ccc(cc1)F 7a_217856618577_200000210301 [0,1,0,0,0,0|3,0,0]=4 479 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 34a_217856618577_200025704644 [0,1,0,0,0,0|3,0,0]=4 480 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 7a_217856618577_200025704644 [0,1,0,0,0,0|3,0,0]=4 481 B11R1.23 CC(N[13CH3])c1cccc(c1)Br 2230a_100020642005_200025704644 [0,1,0,0,0,0|2,0,0]=3 482 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 2230a_100102723534_200025704644 [0,1,0,0,0,0|2,0,0]=3 483 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 34a_100102723534_200025704644 [0,1,0,0,0,0|2,0,0]=3 484 B11R1.23 CC(N[13CH3])c1cccc(c1)O 2230a_100000740644_200025704644 [0,1,0,0,0,0|2,0,0]=3 485 B11R1.23 CC(N[13CH3])c1cccc(n1)Br 2230a_200010173468_200025704644 [0,1,0,0,0,0|3,0,0]=4 486 B11R1.23 CC(O[13CH3])c1cc(ccn1)Cl 7a_100000144657_200025704644 [0,1,0,0,0,0|3,0,0]=4 487 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 34a_100000246457_200025704644 [0,1,0,0,0,0|2,0,0]=3 488 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 7a_100000246457_200025704644 [0,1,0,0,0,0|2,0,0]=3 489 B11R1.23 CC(O[13CH3])c1cccc(c1)F 34a_100000744526_200025704644 [0,1,0,0,0,0|2,0,0]=3 490 B11R1.23 CC(O[13CH3])c1cccc(c1)F 7a_100000744526_200025704644 [0,1,0,0,0,0|2,0,0]=3 491 B11R1.23 CC(O[13CH3])c1cccc(c1)I 34a_100013085317_200025704644 [0,1,0,0,0,0|2,0,0]=3 492 B11R1.23 CC(O[13CH3])c1cccc(c1)I 7a_100013085317_200025704644 [0,1,0,0,0,0|2,0,0]=3 493 B11R1.23 CC(O[13CH3])c1cccc(c1)N 34a_100011217120_200025704644 [0,1,0,0,0,0|2,0,0]=3 494 B11R1.23 CC(O[13CH3])c1cccc(c1)N 7a_100011217120_200025704644 [0,1,0,0,0,0|2,0,0]=3 495 B11R1.23 CC(O[13CH3])c1cccc(n1)Br 7a_100009820884_200025704644 [0,1,0,0,0,0|3,0,0]=4 496 B11R1.23 CC(O[13CH3])c1cncc(c1)Br 34a_100012351597_200025704644 [0,1,0,0,0,0|3,0,0]=4 497 B11R1.23 CC(O[13CH3])c1cncc(c1)Br 7a_100012351597_200025704644 [0,1,0,0,0,0|3,0,0]=4 498 B11R1.23 CCC(O)c1cccc(c1)O 271570a_203496583355_200013212081 [0,1,0,0,0,0|2,0,1]=4 499 B11R1.23 CCN(C)c1cccc(c1)Br 2230a_100000219648_100000210202 [0,1,0,0,0,0|2,0,1]=4 500 B11R1.23 CCN(C)c1cccc(c1)Br 2230a_100000738899_200000210301 [0,1,0,0,0,0|2,0,1]=4 501 B11R1.23 CCN(C)c1cccc(c1)Br 269982a_100000219648_100000204670 [0,1,0,0,0,0|2,0,1]=4 502 B11R1.23 CCN(C)c1cccc(c1)Br 269982a_100000738899_200000210301 [0,1,0,0,0,0|2,0,1]=4 503 B11R1.23 CCN(C)c1cccc(c1)Br 34a_100000219648_100000210202 [0,1,0,0,0,0|2,0,1]=4 504 B11R1.23 CCN(C)c1cccc(c1)Br 34a_100000738899_200000210301 [0,1,0,0,0,0|2,0,1]=4 505 B11R1.23 CCN(C)c1cccc(c1)C 2230a_100000182157_200000210301 [0,1,0,0,0,0|2,0,1]=4 506 B11R1.23 CCN(C)c1cccc(c1)C 2230a_100000219674_100000210202 [0,1,0,0,0,0|2,0,1]=4 507 B11R1.23 CCN(C)c1cccc(c1)C 269982a_100000182157_200000210301 [0,1,0,0,0,0|2,0,1]=4 508 B11R1.23 CCN(C)c1cccc(c1)C 269982a_100000219674_100000204670 [0,1,0,0,0,0|2,0,1]=4 509 B11R1.23 CCN(C)c1cccc(c1)C 34a_100000182157_200000210301 [0,1,0,0,0,0|2,0,1]=4 510 B11R1.23 CCN(C)c1cccc(c1)C 34a_100000219674_100000210202 [0,1,0,0,0,0|2,0,1]=4 511 B11R1.23 CCN(C)c1cccc(c1)C 7a_100000182157_200000210301 [0,1,0,0,0,0|2,0,1]=4 512 B11R1.23 CCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210202 [0,1,0,0,0,0|2,0,1]=4 513 B11R1.23 CCN(C)c1cccc(c1)Cl 269982a_100000220044_100000204670 [0,1,0,0,0,0|2,0,1]=4 514 B11R1.23 CCN(C)c1cccc(c1)Cl 34a_100000220044_100000210202 [0,1,0,0,0,0|2,0,1]=4 515 B11R1.23 CCN(C)c1cccc(c1)F 2230a_100020633736_100000210202 [0,1,0,0,0,0|2,0,1]=4 516 B11R1.23 CCN(C)c1cccc(c1)F 269982a_100020633736_100000204670 [0,1,0,0,0,0|2,0,1]=4 517 B11R1.23 CCN(C)c1cccc(c1)F 34a_100020633736_100000210202 [0,1,0,0,0,0|2,0,1]=4 518 B11R1.23 CCN(C)c1cccc(c1)I 2230a_100000221217_100000210202 [0,1,0,0,0,0|2,0,1]=4 519 B11R1.23 CCN(C)c1cccc(c1)I 269982a_100000221217_100000204670 [0,1,0,0,0,0|2,0,1]=4 520 B11R1.23 CCN(C)c1cccc(c1)I 34a_100000221217_100000210202 [0,1,0,0,0,0|2,0,1]=4 521 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000717746_200000210301 [0,1,0,0,0,0|2,0,1]=4 522 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000756613_100000210202 [0,1,0,0,0,0|2,0,1]=4 523 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000717746_200000210301 [0,1,0,0,0,0|2,0,1]=4 524 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000756613_100000204670 [0,1,0,0,0,0|2,0,1]=4 525 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000717746_200000210301 [0,1,0,0,0,0|2,0,1]=4 526 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000756613_100000210202 [0,1,0,0,0,0|2,0,1]=4 527 B11R1.23 CCN([13CH3])c1cccc(c1)Br 2230a_100000738899_200025704644 [0,1,0,0,0,0|2,0,1]=4 528 B11R1.23 CCN([13CH3])c1cccc(c1)Br 269982a_100000738899_200025704644 [0,1,0,0,0,0|2,0,1]=4 529 B11R1.23 CCN([13CH3])c1cccc(c1)Br 34a_100000738899_200025704644 [0,1,0,0,0,0|2,0,1]=4 530 B11R1.23 CCN([13CH3])c1cccc(c1)C 2230a_100000182157_200025704644 [0,1,0,0,0,0|2,0,1]=4 531 B11R1.23 CCN([13CH3])c1cccc(c1)C 269982a_100000182157_200025704644 [0,1,0,0,0,0|2,0,1]=4 532 B11R1.23 CCN([13CH3])c1cccc(c1)C 34a_100000182157_200025704644 [0,1,0,0,0,0|2,0,1]=4 533 B11R1.23 CCN([13CH3])c1cccc(c1)C 7a_100000182157_200025704644 [0,1,0,0,0,0|2,0,1]=4 534 B11R1.23 CCN([13CH3])c1cccc(c1)O 2230a_100000717746_200025704644 [0,1,0,0,0,0|2,0,1]=4 535 B11R1.23 CCN([13CH3])c1cccc(c1)O 269982a_100000717746_200025704644 [0,1,0,0,0,0|2,0,1]=4 536 B11R1.23 CCN([13CH3])c1cccc(c1)O 34a_100000717746_200025704644 [0,1,0,0,0,0|2,0,1]=4 537 B11R1.23 CC[C@H](N)c1cccc(c1)O 271570a_203496583355_100102422761 [0,1,0,0,0,0|2,0,1]=4 538 B11R1.23 CN(CF)c1cccc(c1)Br 269982a_100000219648_100015361967 [0,1,0,0,0,0|2,0,1]=4 539 B11R1.23 CN(CF)c1cccc(c1)Br 34a_100000219648_100015361967 [0,1,0,0,0,0|2,0,1]=4 540 B11R1.23 CN(CF)c1cccc(c1)Cl 269982a_100000220044_100015361967 [0,1,0,0,0,0|2,0,1]=4 541 B11R1.23 CN(CF)c1cccc(c1)Cl 34a_100000220044_100015361967 [0,1,0,0,0,0|2,0,1]=4 542 B11R1.23 CN(CF)c1cccc(c1)F 269982a_100020633736_100015361967 [0,1,0,0,0,0|2,0,1]=4 543 B11R1.23 CN(CF)c1cccc(c1)F 34a_100020633736_100015361967 [0,1,0,0,0,0|2,0,1]=4 544 B11R1.23 CN(CF)c1cccc(c1)I 269982a_100000221217_100015361967 [0,1,0,0,0,0|2,0,1]=4 545 B11R1.23 CN(CF)c1cccc(c1)I 34a_100000221217_100015361967 [0,1,0,0,0,0|2,0,1]=4 546 B11R1.23 CN(CF)c1cccc(c1)O 269982a_100000756613_100015361967 [0,1,0,0,0,0|2,0,1]=4 547 B11R1.23 CN(CF)c1cccc(c1)O 34a_100000756613_100015361967 [0,1,0,0,0,0|2,0,1]=4 548 B11R1.23 CNC(C)c1cc(ccn1)Br 269862a_106832991636_100000709912 [0,1,0,0,0,0|3,0,0]=4 549 B11R1.23 CNC(C)c1cc(ccn1)Br 270004a_106832991635_100000709912 [0,1,0,0,0,0|3,0,0]=4 550 B11R1.23 CNC(C)c1cc(ccn1)C 2230a_100011933787_200000210301 [0,1,0,0,0,0|3,0,0]=4 551 B11R1.23 CNC(C)c1cc(ccn1)C 269862a_106832991636_100000728896 [0,1,0,0,0,0|3,0,0]=4 552 B11R1.23 CNC(C)c1cc(ccn1)C 270004a_106832991635_100000728896 [0,1,0,0,0,0|3,0,0]=4 553 B11R1.23 CNC(C)c1cc(ccn1)Cl 269862a_106832991636_100000099826 [0,1,0,0,0,0|3,0,0]=4 554 B11R1.23 CNC(C)c1cc(ccn1)Cl 270004a_106832991635_100000099826 [0,1,0,0,0,0|3,0,0]=4 555 B11R1.23 CNC(C)c1cccc(c1)Br 2230a_100020642005_200000210301 [0,1,0,0,0,0|2,0,0]=3 556 B11R1.23 CNC(C)c1cccc(c1)Br 269862a_106832991636_100000210093 [0,1,0,0,0,0|2,0,0]=3 557 B11R1.23 CNC(C)c1cccc(c1)C 269862a_106832991636_100000211476 [0,1,0,0,0,0|2,0,0]=3 558 B11R1.23 CNC(C)c1cccc(c1)Cl 2230a_100102723534_200000210301 [0,1,0,0,0,0|2,0,0]=3 559 B11R1.23 CNC(C)c1cccc(c1)Cl 269862a_106832991636_200000210964 [0,1,0,0,0,0|2,0,0]=3 560 B11R1.23 CNC(C)c1cccc(c1)Cl 34a_100102723534_200000210301 [0,1,0,0,0,0|2,0,0]=3 561 B11R1.23 CNC(C)c1cccc(c1)F 269862a_106832991636_100000187083 [0,1,0,0,0,0|2,0,0]=3 562 B11R1.23 CNC(C)c1cccc(c1)I 269862a_106832991636_100011356966 [0,1,0,0,0,0|2,0,0]=3 563 B11R1.23 CNC(C)c1cccc(c1)O 2230a_100000740644_200000210301 [0,1,0,0,0,0|2,0,0]=3 564 B11R1.23 CNC(C)c1cccc(c1)O 269862a_106832991636_100000211620 [0,1,0,0,0,0|2,0,0]=3 565 B11R1.23 CNC(C)c1cccc(c1)O 271570a_203496583355_100025717457 [0,1,0,0,0,0|2,0,0]=3 566 B11R1.23 CNC(C)c1cccc(n1)Br 2230a_200010173468_200000210301 [0,1,0,0,0,0|3,0,0]=4 567 B11R1.23 CNC(C)c1cccc(n1)Br 269862a_106832991636_100009816502 [0,1,0,0,0,0|3,0,0]=4 568 B11R1.23 CNC(C)c1cccc(n1)C 2230a_100011877385_200000210301 [0,1,0,0,0,0|3,0,0]=4 569 B11R1.23 CNC(C)c1cccc(n1)C 269862a_106832991636_100011877301 [0,1,0,0,0,0|3,0,0]=4 570 B11R1.23 CNC(C)c1cccc(n1)Cl 269862a_106832991636_100000085735 [0,1,0,0,0,0|3,0,0]=4 571 B11R1.23 CNC(C)c1cccc(n1)F 269862a_106832991636_100000092306 [0,1,0,0,0,0|3,0,0]=4 572 B11R1.23 CNC(C)c1ccnc(c1)Br 269862a_106832991636_100010177706 [0,1,0,0,0,0|3,0,0]=4 573 B11R1.23 CNC(C)c1ccnc(c1)C 269862a_106832991636_100011998260 [0,1,0,0,0,0|3,0,0]=4 574 B11R1.23 CNC(C)c1ccnc(c1)Cl 269862a_106832991636_100000685609 [0,1,0,0,0,0|3,0,0]=4 575 B11R1.23 CNC(C)c1cncc(c1)Br 269862a_106832991636_100011216243 [0,1,0,0,0,0|3,0,0]=4 576 B11R1.23 CNC(C)c1cncc(c1)C 269862a_106832991636_100000702010 [0,1,0,0,0,0|3,0,0]=4 577 B11R1.23 CNC(C)c1cncc(c1)F 269862a_106832991636_100000758212 [0,1,0,0,0,0|3,0,0]=4 578 B11R1.23 CN[C@@H](C)c1cccc(n1)F 2230a_100025709760_200000210301 [0,1,0,0,0,0|3,0,0]=4 579 B11R1.23 CN[C@@H](C)c1cccc(n1)F 34a_100025709760_200000210301 [0,1,0,0,0,0|3,0,0]=4 580 B11R1.23 CN[C@H](C)c1cccc(c1)C 2230a_100000698126_200000210301 [0,1,0,0,0,0|2,0,0]=3 581 B11R1.23 CN[C@H](C)c1cccc(c1)C 34a_100000698126_200000210301 [0,1,0,0,0,0|2,0,0]=3 582 B11R1.23 CN[C@H](C)c1cccc(c1)F 2230a_100015193778_200000210301 [0,1,0,0,0,0|2,0,0]=3 583 B11R1.23 CN[C@H](C)c1cccc(c1)F 34a_100015193778_200000210301 [0,1,0,0,0,0|2,0,0]=3 584 B11R1.23 CN[C@H](C)c1cncc(c1)Br 2230a_100012350620_200000210301 [0,1,0,0,0,0|3,0,0]=4 585 B11R1.23 COC(C)c1cc(ccn1)Cl 7a_100000144657_200000210301 [0,1,0,0,0,0|3,0,0]=4 586 B11R1.23 COC(C)c1cccc(c1)Br 34a_100000246457_200000210301 [0,1,0,0,0,0|2,0,0]=3 587 B11R1.23 COC(C)c1cccc(c1)Br 7a_100000246457_200000210301 [0,1,0,0,0,0|2,0,0]=3 588 B11R1.23 COC(C)c1cccc(c1)C 34a_100000757818_200000210301 [0,1,0,0,0,0|2,0,0]=3 589 B11R1.23 COC(C)c1cccc(c1)C 7a_100000757818_200000210301 [0,1,0,0,0,0|2,0,0]=3 590 B11R1.23 COC(C)c1cccc(c1)F 34a_100000744526_200000210301 [0,1,0,0,0,0|2,0,0]=3 591 B11R1.23 COC(C)c1cccc(c1)F 7a_100000744526_200000210301 [0,1,0,0,0,0|2,0,0]=3 592 B11R1.23 COC(C)c1cccc(c1)I 34a_100013085317_200000210301 [0,1,0,0,0,0|2,0,0]=3 593 B11R1.23 COC(C)c1cccc(c1)I 7a_100013085317_200000210301 [0,1,0,0,0,0|2,0,0]=3 594 B11R1.23 COC(C)c1cccc(c1)N 34a_100011217120_200000210301 [0,1,0,0,0,0|2,0,0]=3 595 B11R1.23 COC(C)c1cccc(c1)N 7a_100011217120_200000210301 [0,1,0,0,0,0|2,0,0]=3 596 B11R1.23 COC(C)c1cccc(n1)Br 7a_100009820884_200000210301 [0,1,0,0,0,0|3,0,0]=4 597 B11R1.23 COC(C)c1cccc(n1)C 34a_200011877368_200000210301 [0,1,0,0,0,0|3,0,0]=4 598 B11R1.23 COC(C)c1cccc(n1)C 7a_200011877368_200000210301 [0,1,0,0,0,0|3,0,0]=4 599 B11R1.23 COC(C)c1cncc(c1)Br 34a_100012351597_200000210301 [0,1,0,0,0,0|3,0,0]=4 600 B11R1.23 COC(C)c1cncc(c1)Br 7a_100012351597_200000210301 [0,1,0,0,0,0|3,0,0]=4 601 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_200000210301 [0,1,0,0,0,0|2,0,0]=3 602 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_200000210301 [0,1,0,0,0,0|2,0,0]=3 603 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 2230a_100015193778_200025704644 [0,1,0,0,0,0|2,0,0]=3 604 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 34a_100015193778_200025704644 [0,1,0,0,0,0|2,0,0]=3 605 B11R1.23 C[C@@H](N[13CH3])c1cncc(c1)Br 2230a_100012350620_200025704644 [0,1,0,0,0,0|3,0,0]=4 606 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 34a_100000747380_200025704644 [0,1,0,0,0,0|2,0,0]=3 607 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 7a_100000747380_200025704644 [0,1,0,0,0,0|2,0,0]=3 608 B11R1.23 C[C@H](N[13CH3])c1cccc(n1)F 2230a_100025709760_200025704644 [0,1,0,0,0,0|3,0,0]=4 609 B11R1.23 C[C@H](N[13CH3])c1cccc(n1)F 34a_100025709760_200025704644 [0,1,0,0,0,0|3,0,0]=4 610 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 34a_100000757818_200025704644 [0,1,0,0,0,0|2,0,0]=3 611 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 7a_100000757818_200025704644 [0,1,0,0,0,0|2,0,0]=3 612 B11R1.23 Cc1cccc(c1)N(C)CF 269982a_100000219674_100015361967 [0,1,0,0,0,0|2,0,1]=4 613 B11R1.23 Cc1cccc(c1)N(C)CF 34a_100000219674_100015361967 [0,1,0,0,0,0|2,0,1]=4 614 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 2230a_100000698126_200025704644 [0,1,0,0,0,0|2,0,0]=3 615 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 34a_100000698126_200025704644 [0,1,0,0,0,0|2,0,0]=3 616 B11R1.23 Cc1cccc(n1)C(C)N[13CH3] 2230a_100011877385_200025704644 [0,1,0,0,0,0|3,0,0]=4 617 B11R1.23 Cc1cccc(n1)C(C)O[13CH3] 34a_200011877368_200025704644 [0,1,0,0,0,0|3,0,0]=4 618 B11R1.23 Cc1cccc(n1)C(C)O[13CH3] 7a_200011877368_200025704644 [0,1,0,0,0,0|3,0,0]=4 619 B11R1.23 Cc1ccnc(c1)C(C)N[13CH3] 2230a_100011933787_200025704644 [0,1,0,0,0,0|3,0,0]=4 620 B11R1.23 NC(CO)c1cccc(c1)O 271570a_203496583355_100000690078 [0,1,0,0,0,0|1,0,2]=4 621 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [0,1,0,0,0,0|1,0,1]=3 622 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,1,0,0,0,0|0,0,2]=3 623 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,1,0,0,0,0|0,0,2]=3 624 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [0,1,0,0,0,0|1,0,1]=3 625 B11R1.36 CC(=C(C)c1ccccn1)C 271570a_200000049429_100011216584 [0,1,0,0,0,0|2,0,1]=4 626 B11R1.36 CC(=C(C)c1cccnc1)C 271570a_200000049429_100000752921 [0,1,0,0,0,0|2,0,1]=4 627 B11R1.36 CC(=C(C)c1ccncc1)C 271570a_200000049429_100000035832 [0,1,0,0,0,0|2,0,1]=4 628 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,1,0,0,0,0|0,0,0]=1 629 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [0,1,0,0,0,0|1,0,0]=2 630 B11R1.36 CC(=O)C(C)c1cnccn1 1458a_100000070787_200000703233 [0,1,0,0,0,0|2,0,0]=3 631 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,1,0,0,0,0|1,0,0]=2 632 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [0,1,0,0,0,0|1,0,0]=2 633 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [0,1,0,0,0,0|1,0,0]=2 634 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [0,1,0,0,0,0|1,0,0]=2 635 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,1,0,0,0,0|0,0,0]=1 636 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,1,0,0,0,0|1,0,0]=2 637 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [0,1,0,0,0,0|1,0,0]=2 638 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210012_100000210206 [0,1,0,0,0,0|2,0,1]=4 639 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210572_200000210301 [0,1,0,0,0,0|2,0,1]=4 640 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210012_100000210206 [0,1,0,0,0,0|2,0,1]=4 641 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210572_200000210301 [0,1,0,0,0,0|2,0,1]=4 642 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210012_100000210206 [0,1,0,0,0,0|2,0,1]=4 643 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210572_200000210301 [0,1,0,0,0,0|2,0,1]=4 644 B11R1.36 CC(C)N(C)c1ccccc1 7a_100000210572_200000210301 [0,1,0,0,0,0|2,0,1]=4 645 B11R1.36 CC(C)N([13CH3])c1ccccc1 2230a_100000210572_200025704644 [0,1,0,0,0,0|2,0,1]=4 646 B11R1.36 CC(C)N([13CH3])c1ccccc1 269982a_100000210572_200025704644 [0,1,0,0,0,0|2,0,1]=4 647 B11R1.36 CC(C)N([13CH3])c1ccccc1 34a_100000210572_200025704644 [0,1,0,0,0,0|2,0,1]=4 648 B11R1.36 CC(C)N([13CH3])c1ccccc1 7a_100000210572_200025704644 [0,1,0,0,0,0|2,0,1]=4 649 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100000195388_200000210301 [0,1,0,0,0,0|2,0,0]=3 650 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100102631434_100000230085 [0,1,0,0,0,0|2,0,0]=3 651 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100000195388_200000210301 [0,1,0,0,0,0|2,0,0]=3 652 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100102631434_100000230085 [0,1,0,0,0,0|2,0,0]=3 653 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 2230a_100000195388_200025704644 [0,1,0,0,0,0|2,0,0]=3 654 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 269982a_100000195388_200025704644 [0,1,0,0,0,0|2,0,0]=3 655 B11R1.36 CC(c1ccccn1)N(C)C 2230a_100000231138_200000210301 [0,1,0,0,0,0|3,0,0]=4 656 B11R1.36 CC(c1ccccn1)N(C)C 269982a_100000231138_200000210301 [0,1,0,0,0,0|3,0,0]=4 657 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 2230a_100000231138_200025704644 [0,1,0,0,0,0|3,0,0]=4 658 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 269982a_100000231138_200025704644 [0,1,0,0,0,0|3,0,0]=4 659 B11R1.36 CC(c1cccnc1)N(C)C 2230a_100000232774_200000210301 [0,1,0,0,0,0|3,0,0]=4 660 B11R1.36 CC(c1cccnc1)N(C)C 269982a_100000232774_200000210301 [0,1,0,0,0,0|3,0,0]=4 661 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 2230a_100000232774_200025704644 [0,1,0,0,0,0|3,0,0]=4 662 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 269982a_100000232774_200025704644 [0,1,0,0,0,0|3,0,0]=4 663 B11R1.36 CC(c1ccncc1)N(C)C 2230a_100000231139_200000210301 [0,1,0,0,0,0|3,0,0]=4 664 B11R1.36 CC(c1ccncc1)N(C)C 269982a_100000231139_200000210301 [0,1,0,0,0,0|3,0,0]=4 665 B11R1.36 CC(c1ccncc1)N(C)[13CH3] 2230a_100000231139_200025704644 [0,1,0,0,0,0|3,0,0]=4 666 B11R1.36 CC(c1ccncc1)N(C)[13CH3] 269982a_100000231139_200025704644 [0,1,0,0,0,0|3,0,0]=4 667 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,1,0,0,0,0|0,0,0]=1 668 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,1,0,0,0,0|1,0,0]=2 669 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,1,0,0,0,0|1,0,0]=2 670 B11R1.222 CC(C#N)c1ccccc1O 271570a_203496583355_200010232107 [0,1,0,0,0,0|1,0,1]=3 671 B11R1.222 CC(N[13CH3])c1ccccc1Br 2230a_100000181357_200025704644 [0,1,0,0,0,0|2,0,0]=3 672 B11R1.222 CC(N[13CH3])c1ccccc1Cl 2230a_100000174978_200025704644 [0,1,0,0,0,0|2,0,0]=3 673 B11R1.222 CC(N[13CH3])c1ccccc1Cl 34a_100000174978_200025704644 [0,1,0,0,0,0|2,0,0]=3 674 B11R1.222 CC(N[13CH3])c1ccccc1F 2230a_100000181408_200025704644 [0,1,0,0,0,0|2,0,0]=3 675 B11R1.222 CC(N[13CH3])c1ccccc1F 34a_100000181408_200025704644 [0,1,0,0,0,0|2,0,0]=3 676 B11R1.222 CC(N[13CH3])c1cccnc1O 2230a_100159269580_200025704644 [0,1,0,0,0,0|3,0,0]=4 677 B11R1.222 CC(N[13CH3])c1ncccc1Br 2230a_100159271932_200025704644 [0,1,0,0,0,0|3,0,0]=4 678 B11R1.222 CC(O[13CH3])c1ccccc1Br 34a_100000702211_200025704644 [0,1,0,0,0,0|2,0,0]=3 679 B11R1.222 CC(O[13CH3])c1ccccc1Br 7a_100000702211_200025704644 [0,1,0,0,0,0|2,0,0]=3 680 B11R1.222 CC(O[13CH3])c1ccccc1Cl 34a_100000740796_200025704644 [0,1,0,0,0,0|2,0,0]=3 681 B11R1.222 CC(O[13CH3])c1ccccc1Cl 7a_100000740796_200025704644 [0,1,0,0,0,0|2,0,0]=3 682 B11R1.222 CC(O[13CH3])c1ccccc1F 34a_100000697922_200025704644 [0,1,0,0,0,0|2,0,0]=3 683 B11R1.222 CC(O[13CH3])c1ccccc1F 7a_100000697922_200025704644 [0,1,0,0,0,0|2,0,0]=3 684 B11R1.222 CC(O[13CH3])c1ccccc1N 7a_100011405641_200025704644 [0,1,0,0,0,0|2,0,0]=3 685 B11R1.222 CC(O[13CH3])c1cccnc1Cl 34a_100009865335_200025704644 [0,1,0,0,0,0|3,0,0]=4 686 B11R1.222 CC(O[13CH3])c1cccnc1Cl 7a_100009865335_200025704644 [0,1,0,0,0,0|3,0,0]=4 687 B11R1.222 CC(O[13CH3])c1ccncc1F 34a_100012180158_200025704644 [0,1,0,0,0,0|3,0,0]=4 688 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_100000181259_200025704644 [0,1,0,0,0,0|2,0,0]=3 689 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_200025704644_100000181259 [0,1,0,0,0,0|2,0,0]=3 690 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200000741388_200025704644 [0,1,0,0,0,0|2,0,0]=3 691 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200025704644_200000741388 [0,1,0,0,0,0|2,0,0]=3 692 B11R1.222 CCN(C)c1ccccc1Br 2230a_100020606079_100000210202 [0,1,0,0,0,0|2,0,1]=4 693 B11R1.222 CCN(C)c1ccccc1Br 2230a_114873767003_200000210301 [0,1,0,0,0,0|2,0,1]=4 694 B11R1.222 CCN(C)c1ccccc1Br 269982a_100020606079_100000204670 [0,1,0,0,0,0|2,0,1]=4 695 B11R1.222 CCN(C)c1ccccc1Br 269982a_114873767003_200000210301 [0,1,0,0,0,0|2,0,1]=4 696 B11R1.222 CCN(C)c1ccccc1Br 34a_100020606079_100000210202 [0,1,0,0,0,0|2,0,1]=4 697 B11R1.222 CCN(C)c1ccccc1Br 34a_114873767003_200000210301 [0,1,0,0,0,0|2,0,1]=4 698 B11R1.222 CCN(C)c1ccccc1C 2230a_100000211084_200000210301 [0,1,0,0,0,0|2,0,1]=4 699 B11R1.222 CCN(C)c1ccccc1C 2230a_100000219699_100000210202 [0,1,0,0,0,0|2,0,1]=4 700 B11R1.222 CCN(C)c1ccccc1C 269982a_100000211084_200000210301 [0,1,0,0,0,0|2,0,1]=4 701 B11R1.222 CCN(C)c1ccccc1C 269982a_100000219699_100000204670 [0,1,0,0,0,0|2,0,1]=4 702 B11R1.222 CCN(C)c1ccccc1C 34a_100000211084_200000210301 [0,1,0,0,0,0|2,0,1]=4 703 B11R1.222 CCN(C)c1ccccc1C 34a_100000219699_100000210202 [0,1,0,0,0,0|2,0,1]=4 704 B11R1.222 CCN(C)c1ccccc1Cl 2230a_100000219374_100000210202 [0,1,0,0,0,0|2,0,1]=4 705 B11R1.222 CCN(C)c1ccccc1Cl 269982a_100000219374_100000204670 [0,1,0,0,0,0|2,0,1]=4 706 B11R1.222 CCN(C)c1ccccc1Cl 34a_100000219374_100000210202 [0,1,0,0,0,0|2,0,1]=4 707 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220357_100000210202 [0,1,0,0,0,0|2,0,1]=4 708 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220365_200000210301 [0,1,0,0,0,0|2,0,1]=4 709 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220357_100000204670 [0,1,0,0,0,0|2,0,1]=4 710 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220365_200000210301 [0,1,0,0,0,0|2,0,1]=4 711 B11R1.222 CCN(C)c1ccccc1F 34a_100000220357_100000210202 [0,1,0,0,0,0|2,0,1]=4 712 B11R1.222 CCN(C)c1ccccc1F 34a_100000220365_200000210301 [0,1,0,0,0,0|2,0,1]=4 713 B11R1.222 CCN(C)c1ccccc1F 38a_100000220357_100000204670 [0,1,0,0,0,0|2,0,1]=4 714 B11R1.222 CCN(C)c1ccccc1O 269982a_100000033821_100000204670 [0,1,0,0,0,0|2,0,1]=4 715 B11R1.222 CCN(C)c1ccccc1O 269982a_103624766699_200000210301 [0,1,0,0,0,0|2,0,1]=4 716 B11R1.222 CCN([13CH3])c1ccccc1Br 2230a_114873767003_200025704644 [0,1,0,0,0,0|2,0,1]=4 717 B11R1.222 CCN([13CH3])c1ccccc1Br 269982a_114873767003_200025704644 [0,1,0,0,0,0|2,0,1]=4 718 B11R1.222 CCN([13CH3])c1ccccc1Br 34a_114873767003_200025704644 [0,1,0,0,0,0|2,0,1]=4 719 B11R1.222 CCN([13CH3])c1ccccc1C 2230a_100000211084_200025704644 [0,1,0,0,0,0|2,0,1]=4 720 B11R1.222 CCN([13CH3])c1ccccc1C 269982a_100000211084_200025704644 [0,1,0,0,0,0|2,0,1]=4 721 B11R1.222 CCN([13CH3])c1ccccc1C 34a_100000211084_200025704644 [0,1,0,0,0,0|2,0,1]=4 722 B11R1.222 CCN([13CH3])c1ccccc1F 2230a_100000220365_200025704644 [0,1,0,0,0,0|2,0,1]=4 723 B11R1.222 CCN([13CH3])c1ccccc1F 269982a_100000220365_200025704644 [0,1,0,0,0,0|2,0,1]=4 724 B11R1.222 CCN([13CH3])c1ccccc1F 34a_100000220365_200025704644 [0,1,0,0,0,0|2,0,1]=4 725 B11R1.222 CCN([13CH3])c1ccccc1O 269982a_103624766699_200025704644 [0,1,0,0,0,0|2,0,1]=4 726 B11R1.222 CN(CF)c1ccccc1Br 269982a_100020606079_100015361967 [0,1,0,0,0,0|2,0,1]=4 727 B11R1.222 CN(CF)c1ccccc1Br 34a_100020606079_100015361967 [0,1,0,0,0,0|2,0,1]=4 728 B11R1.222 CN(CF)c1ccccc1Cl 269982a_100000219374_100015361967 [0,1,0,0,0,0|2,0,1]=4 729 B11R1.222 CN(CF)c1ccccc1Cl 34a_100000219374_100015361967 [0,1,0,0,0,0|2,0,1]=4 730 B11R1.222 CN(CF)c1ccccc1F 269982a_100000220357_100015361967 [0,1,0,0,0,0|2,0,1]=4 731 B11R1.222 CN(CF)c1ccccc1F 34a_100000220357_100015361967 [0,1,0,0,0,0|2,0,1]=4 732 B11R1.222 CN(CF)c1ccccc1F 38a_100000220357_100015361967 [0,1,0,0,0,0|2,0,1]=4 733 B11R1.222 CN(CF)c1ccccc1O 269982a_100000033821_100015361967 [0,1,0,0,0,0|2,0,1]=4 734 B11R1.222 CNC(C)c1ccccc1Br 2230a_100000181357_200000210301 [0,1,0,0,0,0|2,0,0]=3 735 B11R1.222 CNC(C)c1ccccc1Br 269862a_106832991636_100000187085 [0,1,0,0,0,0|2,0,0]=3 736 B11R1.222 CNC(C)c1ccccc1C 2230a_100000181355_200000210301 [0,1,0,0,0,0|2,0,0]=3 737 B11R1.222 CNC(C)c1ccccc1C 269862a_106832991636_100000211656 [0,1,0,0,0,0|2,0,0]=3 738 B11R1.222 CNC(C)c1ccccc1C 34a_100000181355_200000210301 [0,1,0,0,0,0|2,0,0]=3 739 B11R1.222 CNC(C)c1ccccc1Cl 2230a_100000174978_200000210301 [0,1,0,0,0,0|2,0,0]=3 740 B11R1.222 CNC(C)c1ccccc1Cl 2230a_106832991635_100000181259 [0,1,0,0,0,0|2,0,0]=3 741 B11R1.222 CNC(C)c1ccccc1Cl 269862a_106832991636_100000210134 [0,1,0,0,0,0|2,0,0]=3 742 B11R1.222 CNC(C)c1ccccc1Cl 34a_100000174978_200000210301 [0,1,0,0,0,0|2,0,0]=3 743 B11R1.222 CNC(C)c1ccccc1Cl 7a_106832991635_100000181259 [0,1,0,0,0,0|2,0,0]=3 744 B11R1.222 CNC(C)c1ccccc1F 2230a_100000181408_200000210301 [0,1,0,0,0,0|2,0,0]=3 745 B11R1.222 CNC(C)c1ccccc1F 2230a_106832991635_200000741388 [0,1,0,0,0,0|2,0,0]=3 746 B11R1.222 CNC(C)c1ccccc1F 269862a_106832991636_100000210632 [0,1,0,0,0,0|2,0,0]=3 747 B11R1.222 CNC(C)c1ccccc1F 34a_100000181408_200000210301 [0,1,0,0,0,0|2,0,0]=3 748 B11R1.222 CNC(C)c1ccccc1F 34a_100102657272_200000741388 [0,1,0,0,0,0|2,0,0]=3 749 B11R1.222 CNC(C)c1ccccc1F 7a_106832991635_200000741388 [0,1,0,0,0,0|2,0,0]=3 750 B11R1.222 CNC(C)c1ccccc1I 269862a_106832991636_100000751169 [0,1,0,0,0,0|2,0,0]=3 751 B11R1.222 CNC(C)c1ccccc1O 271570a_203496583355_100000692418 [0,1,0,0,0,0|2,0,0]=3 752 B11R1.222 CNC(C)c1cccnc1C 269862a_106832991636_100011995960 [0,1,0,0,0,0|3,0,0]=4 753 B11R1.222 CNC(C)c1cccnc1O 2230a_100159269580_200000210301 [0,1,0,0,0,0|3,0,0]=4 754 B11R1.222 CNC(C)c1ccncc1Br 269862a_106832991636_100009993184 [0,1,0,0,0,0|3,0,0]=4 755 B11R1.222 CNC(C)c1ccncc1Cl 269862a_106832991636_100012001414 [0,1,0,0,0,0|3,0,0]=4 756 B11R1.222 CNC(C)c1ccncc1F 269862a_106832991636_100000727669 [0,1,0,0,0,0|3,0,0]=4 757 B11R1.222 CNC(C)c1cnccc1C 269862a_106832991636_100000693228 [0,1,0,0,0,0|3,0,0]=4 758 B11R1.222 CNC(C)c1cnccc1Cl 269862a_106832991636_100160469449 [0,1,0,0,0,0|3,0,0]=4 759 B11R1.222 CNC(C)c1ncccc1Br 2230a_100159271932_200000210301 [0,1,0,0,0,0|3,0,0]=4 760 B11R1.222 CNC(C)c1ncccc1Br 269862a_106832991636_100012348690 [0,1,0,0,0,0|3,0,0]=4 761 B11R1.222 CNC(C)c1ncccc1C 2230a_100011536111_200000210301 [0,1,0,0,0,0|3,0,0]=4 762 B11R1.222 CNC(C)c1ncccc1C 269862a_106832991636_100011536074 [0,1,0,0,0,0|3,0,0]=4 763 B11R1.222 CNC(C)c1ncccc1Cl 269862a_106832991636_100015267551 [0,1,0,0,0,0|3,0,0]=4 764 B11R1.222 CNC(C)c1ncccc1F 269862a_106832991636_100011997767 [0,1,0,0,0,0|3,0,0]=4 765 B11R1.222 CNC(C)c1ncccc1I 269862a_106832991636_200015599370 [0,1,0,0,0,0|3,0,0]=4 766 B11R1.222 CN[C@H](C)c1ccccc1O 2230a_100025703389_200000210301 [0,1,0,0,0,0|2,0,0]=3 767 B11R1.222 COC(C)c1ccccc1Br 34a_100000702211_200000210301 [0,1,0,0,0,0|2,0,0]=3 768 B11R1.222 COC(C)c1ccccc1Br 7a_100000702211_200000210301 [0,1,0,0,0,0|2,0,0]=3 769 B11R1.222 COC(C)c1ccccc1C 34a_100000742021_200000210301 [0,1,0,0,0,0|2,0,0]=3 770 B11R1.222 COC(C)c1ccccc1C 7a_100000742021_200000210301 [0,1,0,0,0,0|2,0,0]=3 771 B11R1.222 COC(C)c1ccccc1Cl 34a_100000740796_200000210301 [0,1,0,0,0,0|2,0,0]=3 772 B11R1.222 COC(C)c1ccccc1Cl 7a_100000740796_200000210301 [0,1,0,0,0,0|2,0,0]=3 773 B11R1.222 COC(C)c1ccccc1F 34a_100000697922_200000210301 [0,1,0,0,0,0|2,0,0]=3 774 B11R1.222 COC(C)c1ccccc1F 34a_100138415774_200000741388 [0,1,0,0,0,0|2,0,0]=3 775 B11R1.222 COC(C)c1ccccc1F 7a_100000697922_200000210301 [0,1,0,0,0,0|2,0,0]=3 776 B11R1.222 COC(C)c1ccccc1N 7a_100011405641_200000210301 [0,1,0,0,0,0|2,0,0]=3 777 B11R1.222 COC(C)c1cccnc1Cl 34a_100009865335_200000210301 [0,1,0,0,0,0|3,0,0]=4 778 B11R1.222 COC(C)c1cccnc1Cl 7a_100009865335_200000210301 [0,1,0,0,0,0|3,0,0]=4 779 B11R1.222 COC(C)c1ccncc1F 34a_100012180158_200000210301 [0,1,0,0,0,0|3,0,0]=4 780 B11R1.222 CO[C@@H](C)c1ncccc1Br 7a_100013325542_200000210301 [0,1,0,0,0,0|3,0,0]=4 781 B11R1.222 CO[C@@H](C)c1ncccc1O 271570a_203496583355_106256553109 [0,1,0,0,0,0|3,0,0]=4 782 B11R1.222 CSC(C)c1ccccc1Cl 62a_100000181259_200000210301 [0,1,0,0,0,0|2,0,0]=3 783 B11R1.222 CSC(C)c1ccccc1Cl 62a_200000210301_100000181259 [0,1,0,0,0,0|2,0,0]=3 784 B11R1.222 CSC(C)c1ccccc1F 62a_200000210301_200000741388 [0,1,0,0,0,0|2,0,0]=3 785 B11R1.222 CSC(C)c1ccccc1F 62a_200000741388_200000210301 [0,1,0,0,0,0|2,0,0]=3 786 B11R1.222 C[C@@H](N[13CH3])c1ccccc1O 2230a_100025703389_200025704644 [0,1,0,0,0,0|2,0,0]=3 787 B11R1.222 C[C@H](O[13CH3])c1ncccc1Br 7a_100013325542_200025704644 [0,1,0,0,0,0|3,0,0]=4 788 B11R1.222 Cc1ccccc1C(C)N[13CH3] 2230a_100000181355_200025704644 [0,1,0,0,0,0|2,0,0]=3 789 B11R1.222 Cc1ccccc1C(C)N[13CH3] 34a_100000181355_200025704644 [0,1,0,0,0,0|2,0,0]=3 790 B11R1.222 Cc1ccccc1C(C)O[13CH3] 34a_100000742021_200025704644 [0,1,0,0,0,0|2,0,0]=3 791 B11R1.222 Cc1ccccc1C(C)O[13CH3] 7a_100000742021_200025704644 [0,1,0,0,0,0|2,0,0]=3 792 B11R1.222 Cc1ccccc1N(C)CF 269982a_100000219699_100015361967 [0,1,0,0,0,0|2,0,1]=4 793 B11R1.222 Cc1ccccc1N(C)CF 34a_100000219699_100015361967 [0,1,0,0,0,0|2,0,1]=4 794 B11R1.222 Cc1cccnc1C(C)N[13CH3] 2230a_100011536111_200025704644 [0,1,0,0,0,0|3,0,0]=4 795 B11R1.222 NCC(O)c1ccccc1O 271570a_203496583355_100011236429 [0,1,0,0,0,0|2,0,1]=4 796 B11R1.222 N[C@H](CO)c1ccccc1O 271570a_203496583355_100161155918 [0,1,0,0,0,0|1,0,2]=4 797 B9R0.8 C#CC(C)C(=O)C=CC=C 1458a_100016291481_200000035995 [0,0,1,0,0,0|2,0,1]=4 798 B9R0.8 C=CC=CC(=O)C(C)C#N 1458a_100016291481_100000703298 [0,0,1,0,0,0|2,0,1]=4 799 B9R0.8 C=CC=CC(=O)C(C)CC 1458a_100016291481_100000758301 [0,0,1,0,0,0|2,0,1]=4 800 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [0,0,0,1,0,0|1,0,2]=4 801 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [0,0,0,1,0,0|1,1,1]=4 802 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [0,0,0,1,0,0|2,0,0]=3 803 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [0,0,0,1,0,0|2,0,0]=3 804 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [0,0,0,1,0,0|2,0,0]=3 805 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [0,0,0,1,0,0|2,0,0]=3 806 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [0,0,0,1,0,0|2,0,0]=3 807 B9R1.11 CC(N[13CH3])c1cccs1 2230a_100000703493_200025704644 [0,0,0,0,1,0|3,0,0]=4 808 B9R1.11 CC(N[13CH3])c1ccoc1 2230a_100000690049_200025704644 [0,0,0,0,1,0|3,0,0]=4 809 B9R1.11 CC(N[13CH3])c1ccsc1 2230a_100000748604_200025704644 [0,0,0,0,1,0|3,0,0]=4 810 B9R1.11 CC(O[13CH3])c1ccsc1 34a_100011350980_200025704644 [0,0,0,0,1,0|3,0,0]=4 811 B9R1.11 CC(O[13CH3])c1ccsc1 7a_100011350980_200025704644 [0,0,0,0,1,0|3,0,0]=4 812 B9R1.11 CNC(C)c1cc[nH]c1 269862a_106832991636_100000753940 [0,0,0,0,1,0|3,0,0]=4 813 B9R1.11 CNC(C)c1ccc[nH]1 269862a_106832991636_100000183661 [0,0,0,0,1,0|3,0,0]=4 814 B9R1.11 CNC(C)c1cccs1 2230a_100000703493_200000210301 [0,0,0,0,1,0|3,0,0]=4 815 B9R1.11 CNC(C)c1cccs1 269862a_106832991636_100000185736 [0,0,0,0,1,0|3,0,0]=4 816 B9R1.11 CNC(C)c1ccoc1 2230a_100000690049_200000210301 [0,0,0,0,1,0|3,0,0]=4 817 B9R1.11 CNC(C)c1ccsc1 2230a_100000748604_200000210301 [0,0,0,0,1,0|3,0,0]=4 818 B9R1.11 CNC(C)c1ccsc1 269862a_106832991636_100000747891 [0,0,0,0,1,0|3,0,0]=4 819 B9R1.11 CN[C@H](C)c1ccco1 2230a_100160469435_200000210301 [0,0,0,0,1,0|3,0,0]=4 820 B9R1.11 COC(C)c1ccsc1 34a_100011350980_200000210301 [0,0,0,0,1,0|3,0,0]=4 821 B9R1.11 COC(C)c1ccsc1 7a_100011350980_200000210301 [0,0,0,0,1,0|3,0,0]=4 822 B9R1.11 CO[C@@H](C)c1ccco1 34a_100000755270_200000210301 [0,0,0,0,1,0|3,0,0]=4 823 B9R1.11 CO[C@@H](C)c1ccco1 7a_100000755270_200000210301 [0,0,0,0,1,0|3,0,0]=4 824 B9R1.11 CO[C@H](C)c1cccs1 7a_100000750433_200000210301 [0,0,0,0,1,0|3,0,0]=4 825 B9R1.11 C[C@@H](N[13CH3])c1ccco1 2230a_100160469435_200025704644 [0,0,0,0,1,0|3,0,0]=4 826 B9R1.11 C[C@@H](O[13CH3])c1cccs1 7a_100000750433_200025704644 [0,0,0,0,1,0|3,0,0]=4 827 B9R1.11 C[C@H](O[13CH3])c1ccco1 34a_100000755270_200025704644 [0,0,0,0,1,0|3,0,0]=4 828 B9R1.11 C[C@H](O[13CH3])c1ccco1 7a_100000755270_200025704644 [0,0,0,0,1,0|3,0,0]=4 829 B11R1.40 C#CC(C)Nc1ccccc1 34a_100000106764_200000035995 [0,0,0,0,0,1|1,0,1]=3 830 B11R1.40 C#CC(C)Oc1ccccc1 34a_100000210340_200000035995 [0,0,0,0,0,1|1,0,1]=3 831 B11R1.40 C#CC(C)Oc1cccnc1 34a_100000210849_200000035995 [0,0,0,0,0,1|2,0,1]=4 832 B11R1.40 C#CC(C)Oc1ccncc1 34a_100000212176_200000035995 [0,0,0,0,0,1|2,0,1]=4 833 B11R1.40 C#CC(C)Sc1ccccc1 62a_200000035995_100000041952 [0,0,0,0,0,1|1,0,1]=3 834 B11R1.40 C#CC(C)Sc1ccccn1 62a_200000035995_100011216584 [0,0,0,0,0,1|2,0,1]=4 835 B11R1.40 C#CC(C)Sc1cccnc1 62a_200000035995_100000210063 [0,0,0,0,0,1|2,0,1]=4 836 B11R1.40 C#CC(C)Sc1ccncc1 62a_200000035995_100000728582 [0,0,0,0,0,1|2,0,1]=4 837 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,0,0,0,0,1|2,0,1]=4 838 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [0,0,0,0,0,1|2,0,1]=4 839 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [0,0,0,0,0,1|2,0,1]=4 840 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [0,0,0,0,0,1|1,0,0]=2 841 B11R1.40 C=CC(C)Sc1ccccn1 62a_100011215867_100011216584 [0,0,0,0,0,1|2,0,0]=3 842 B11R1.40 C=CC(C)Sc1cccnc1 62a_100011215867_100000210063 [0,0,0,0,0,1|2,0,0]=3 843 B11R1.40 C=CC(C)Sc1cccnn1 62a_100011215867_100016991348 [0,0,0,0,0,1|3,0,0]=4 844 B11R1.40 C=CC(C)Sc1ccncc1 62a_100011215867_100000728582 [0,0,0,0,0,1|2,0,0]=3 845 B11R1.40 C=CC(C)Sc1ccncn1 62a_100011215867_100000703185 [0,0,0,0,0,1|3,0,0]=4 846 B11R1.40 C=CC(C)Sc1ccnnc1 62a_100011215867_100000732662 [0,0,0,0,0,1|3,0,0]=4 847 B11R1.40 C=CC(C)Sc1cnccn1 62a_100011215867_100000211759 [0,0,0,0,0,1|3,0,0]=4 848 B11R1.40 C=CC(C)Sc1cncnc1 62a_100011215867_100011206942 [0,0,0,0,0,1|3,0,0]=4 849 B11R1.40 C=CC(C)Sc1ncccn1 62a_100011215867_100000211032 [0,0,0,0,0,1|3,0,0]=4 850 B11R1.40 CC(C#N)Oc1ccccc1 7a_100000210340_100000703298 [0,0,0,0,0,1|1,0,1]=3 851 B11R1.40 CC(C#N)Oc1cccnc1 7a_100000210849_100000703298 [0,0,0,0,0,1|2,0,1]=4 852 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000703298_100000041952 [0,0,0,0,0,1|1,0,1]=3 853 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000719477_100000703298 [0,0,0,0,0,1|1,0,1]=3 854 B11R1.40 CC(C#N)Sc1ccccn1 62a_100000703298_100011216584 [0,0,0,0,0,1|2,0,1]=4 855 B11R1.40 CC(C#N)Sc1ccccn1 62a_100011216584_100000703298 [0,0,0,0,0,1|2,0,1]=4 856 B11R1.40 CC(C#N)Sc1cccnc1 62a_100000210063_100000703298 [0,0,0,0,0,1|2,0,1]=4 857 B11R1.40 CC(C#N)Sc1cccnc1 62a_100000703298_100000210063 [0,0,0,0,0,1|2,0,1]=4 858 B11R1.40 CC(C#N)Sc1ccncc1 62a_100000703298_100000728582 [0,0,0,0,0,1|2,0,1]=4 859 B11R1.40 CC(C#N)Sc1ccncc1 62a_100000728582_100000703298 [0,0,0,0,0,1|2,0,1]=4 860 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [0,0,0,0,0,1|0,0,2]=3 861 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [0,0,0,0,0,1|0,0,2]=3 862 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [0,0,0,0,0,1|0,0,2]=3 863 B11R1.40 CC(CO)Oc1cccnc1 34a_100000210849_100012180447 [0,0,0,0,0,1|1,0,2]=4 864 B11R1.40 CC(CO)Oc1cccnc1 7a_100000210849_100012180447 [0,0,0,0,0,1|1,0,2]=4 865 B11R1.40 CC(CO)Oc1ccncc1 34a_100000212176_100012180447 [0,0,0,0,0,1|1,0,2]=4 866 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [0,0,0,0,0,1|0,0,2]=3 867 B11R1.40 CC(CO)Sc1ccccn1 62a_100012180447_100011216584 [0,0,0,0,0,1|1,0,2]=4 868 B11R1.40 CC(CO)Sc1cccnc1 62a_100012180447_100000210063 [0,0,0,0,0,1|1,0,2]=4 869 B11R1.40 CC(CO)Sc1ccncc1 62a_100012180447_100000728582 [0,0,0,0,0,1|1,0,2]=4 870 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,0,0,0,0,1|2,0,0]=3 871 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,0,0,0,0,1|2,0,0]=3 872 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [0,0,0,0,0,1|2,0,0]=3 873 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [0,0,0,0,0,1|2,0,0]=3 874 B11R1.40 CC(Cc1ccccn1)N[13CH3] 2230a_100000238496_200025704644 [0,0,0,0,0,1|3,0,0]=4 875 B11R1.40 CC(Cc1cccnc1)N[13CH3] 2230a_100011207255_200025704644 [0,0,0,0,0,1|3,0,0]=4 876 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [0,0,0,0,0,1|1,0,1]=3 877 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [0,0,0,0,0,1|1,0,1]=3 878 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [0,0,0,0,0,1|1,0,1]=3 879 B11R1.40 CCC(C)Oc1cccnc1 34a_100000210849_100011215416 [0,0,0,0,0,1|2,0,1]=4 880 B11R1.40 CCC(C)Oc1cccnc1 7a_100000210849_100000758301 [0,0,0,0,0,1|2,0,1]=4 881 B11R1.40 CCC(C)Oc1ccncc1 34a_100000212176_100011215416 [0,0,0,0,0,1|2,0,1]=4 882 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [0,0,0,0,0,1|1,0,1]=3 883 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [0,0,0,0,0,1|1,0,1]=3 884 B11R1.40 CCC(C)Sc1ccccn1 62a_100000758301_100011216584 [0,0,0,0,0,1|2,0,1]=4 885 B11R1.40 CCC(C)Sc1ccccn1 62a_100011216584_100000758301 [0,0,0,0,0,1|2,0,1]=4 886 B11R1.40 CCC(C)Sc1cccnc1 62a_100000210063_100000758301 [0,0,0,0,0,1|2,0,1]=4 887 B11R1.40 CCC(C)Sc1cccnc1 62a_100000758301_100000210063 [0,0,0,0,0,1|2,0,1]=4 888 B11R1.40 CCC(C)Sc1ccncc1 62a_100000728582_100000758301 [0,0,0,0,0,1|2,0,1]=4 889 B11R1.40 CCC(C)Sc1ccncc1 62a_100000758301_100000728582 [0,0,0,0,0,1|2,0,1]=4 890 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [0,0,0,0,0,1|2,0,1]=4 891 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [0,0,0,0,0,1|2,0,1]=4 892 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [0,0,0,0,0,1|2,0,1]=4 893 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [0,0,0,0,0,1|2,0,1]=4 894 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [0,0,0,0,0,1|2,0,1]=4 895 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [0,0,0,0,0,1|2,0,1]=4 896 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [0,0,0,0,0,1|2,0,1]=4 897 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [0,0,0,0,0,1|2,0,1]=4 898 B11R1.40 CN(CF)Cc1ccccc1 269982a_100000186898_100015361967 [0,0,0,0,0,1|2,0,1]=4 899 B11R1.40 CNC(C)C[n+]1ccccc1 270004a_106832991635_100000034229 [0,0,0,0,0,1|3,0,0]=4 900 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [0,0,0,0,0,1|2,0,0]=3 901 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [0,0,0,0,0,1|2,0,0]=3 902 B11R1.40 CNC(C)Cc1ccccn1 2230a_100000238496_200000210301 [0,0,0,0,0,1|3,0,0]=4 903 B11R1.40 CNC(C)Cc1cccnc1 2230a_100011207255_200000210301 [0,0,0,0,0,1|3,0,0]=4 904 B11R1.40 CNC(C)Cc1cccnc1 270004a_106832991635_100015187140 [0,0,0,0,0,1|3,0,0]=4 905 B11R1.40 CNC(C)Cc1ccncc1 270004a_106832991635_100000238508 [0,0,0,0,0,1|3,0,0]=4 906 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,0,0,0,0,1|2,0,0]=3 907 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,0,0,0,0,1|2,0,0]=3 908 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,0,0,0,0,1|2,0,0]=3 909 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [0,0,0,0,0,1|2,0,0]=3 910 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [0,0,0,0,0,1|2,0,0]=3 911 B11R1.40 COC(C)Sc1ccccn1 62a_100009879195_100011216584 [0,0,0,0,0,1|3,0,0]=4 912 B11R1.40 COC(C)Sc1ccccn1 62a_100011216584_100009879195 [0,0,0,0,0,1|3,0,0]=4 913 B11R1.40 COC(C)Sc1cccnc1 62a_100000210063_100009879195 [0,0,0,0,0,1|3,0,0]=4 914 B11R1.40 COC(C)Sc1cccnc1 62a_100009879195_100000210063 [0,0,0,0,0,1|3,0,0]=4 915 B11R1.40 COC(C)Sc1ccncc1 62a_100000728582_100009879195 [0,0,0,0,0,1|3,0,0]=4 916 B11R1.40 COC(C)Sc1ccncc1 62a_100009879195_100000728582 [0,0,0,0,0,1|3,0,0]=4 917 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [0,0,0,0,0,1|2,0,0]=3 918 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [0,0,0,0,0,1|2,0,0]=3 919 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [0,0,0,0,0,1|0,0,2]=3 920 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [0,0,0,0,0,1|0,0,2]=3 921 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100011216584_100016084084 [0,0,0,0,0,1|1,0,2]=4 922 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100016084084_100011216584 [0,0,0,0,0,1|1,0,2]=4 923 B11R1.40 C[C@H](CO)Sc1cccnc1 62a_100000210063_100016084084 [0,0,0,0,0,1|1,0,2]=4 924 B11R1.40 C[C@H](CO)Sc1cccnc1 62a_100016084084_100000210063 [0,0,0,0,0,1|1,0,2]=4 925 B11R1.40 C[C@H](CO)Sc1ccncc1 62a_100000728582_100016084084 [0,0,0,0,0,1|1,0,2]=4 926 B11R1.40 C[C@H](CO)Sc1ccncc1 62a_100016084084_100000728582 [0,0,0,0,0,1|1,0,2]=4 927 B11R1.40 N#CC(F)Sc1ccccc1 62a_100000719477_200000117898 [0,0,0,0,0,1|2,0,1]=4 928 B11R1.40 N#CC(F)Sc1ccccc1 62a_200000117898_100000041952 [0,0,0,0,0,1|2,0,1]=4 929 B8R0.1 C=CC=CC(=O)CC=C 1458a_100016291481_100000210623 [1,0,1,0,0,0|2,0,0]=4 930 B8R0.8 C=CC=CC(=O)C(C)C 1458a_100016291481_100000210206 [1,0,1,0,0,0|1,0,1]=4 931 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|0,0,1]=3 932 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [2,0,0,0,0,0|1,0,1]=4 933 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [2,0,0,0,0,0|1,0,1]=4 934 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [2,0,0,0,0,0|1,0,1]=4 935 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|1,0,0]=3 936 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|1,0,0]=3 937 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|1,0,0]=3 938 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [2,0,0,0,0,0|2,0,0]=4 939 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [2,0,0,0,0,0|2,0,0]=4 940 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [2,0,0,0,0,0|2,0,0]=4 941 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|1,0,0]=3 942 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|1,0,0]=3 943 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [2,0,0,0,0,0|2,0,0]=4 944 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [2,0,0,0,0,0|2,0,0]=4 945 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [2,0,0,0,0,0|2,0,0]=4 946 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [2,0,0,0,0,0|2,0,0]=4 947 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [2,0,0,0,0,0|2,0,0]=4 948 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [2,0,0,0,0,0|2,0,0]=4 949 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|1,0,0]=3 950 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|1,0,0]=3 951 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|1,0,0]=3 952 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [2,0,0,0,0,0|2,0,0]=4 953 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [2,0,0,0,0,0|2,0,0]=4 954 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [2,0,0,0,0,0|2,0,0]=4 955 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|1,0,0]=3 956 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|1,0,0]=3 957 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [2,0,0,0,0,0|2,0,0]=4 958 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [2,0,0,0,0,0|2,0,0]=4 959 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [2,0,0,0,0,0|2,0,0]=4 960 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [2,0,0,0,0,0|2,0,0]=4 961 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [2,0,0,0,0,0|2,0,0]=4 962 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [2,0,0,0,0,0|2,0,0]=4 963 B10R0.81 C=CC=CC(=O)C(C)C(=O)C 1458a_100016291481_100000179758 [0,1,1,0,0,0|1,0,0]=3 964 B10R0.81 C=CC=CC(=O)C(C)C(=O)N 1458a_100016291481_100000702099 [0,1,1,0,0,0|1,0,0]=3 965 B10R0.81 C=CC=CC(=O)C(F)C(=O)N 1458a_100016291481_100009813875 [0,1,1,0,0,0|2,0,0]=4 966 B10R0.81 C=CC=CC(=O)C(F)C(=O)[O-] 1458a_100016291481_100020610796 [0,1,1,0,0,0|2,0,0]=4 967 B10R1.13 C=C(C)c1cc[n+](cc1)[O-] 271570a_100000694244_100000039755 [1,1,0,0,0,0|1,0,1]=4 968 B10R1.13 C=C(C)c1ccc(=O)[nH]c1 271570a_100000694244_100000212171 [1,1,0,0,0,0|1,0,1]=4 969 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [1,1,0,0,0,0|0,0,1]=3 970 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [1,1,0,0,0,0|0,0,1]=3 971 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [1,1,0,0,0,0|0,0,1]=3 972 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [1,1,0,0,0,0|0,0,1]=3 973 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [1,1,0,0,0,0|0,0,1]=3 974 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [1,1,0,0,0,0|0,0,1]=3 975 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [1,1,0,0,0,0|0,0,1]=3 976 B10R1.13 C=C(C)c1ccc(cn1)Br 271570a_100000694244_100000686858 [1,1,0,0,0,0|1,0,1]=4 977 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [1,1,0,0,0,0|1,0,1]=4 978 B10R1.13 C=C(C)c1ccc(cn1)Cl 271570a_100000694244_100011356976 [1,1,0,0,0,0|1,0,1]=4 979 B10R1.13 C=C(C)c1ccc(cn1)F 271570a_100000694244_100000744514 [1,1,0,0,0,0|1,0,1]=4 980 B10R1.13 C=C(C)c1ccc(cn1)N 271570a_100000694244_100000744251 [1,1,0,0,0,0|1,0,1]=4 981 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [1,1,0,0,0,0|1,0,1]=4 982 B10R1.13 C=C(C)c1ccc(nc1)Br 271570a_100000694244_100009814638 [1,1,0,0,0,0|1,0,1]=4 983 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [1,1,0,0,0,0|1,0,1]=4 984 B10R1.13 C=C(C)c1ccc(nc1)Cl 271570a_100000694244_100000034144 [1,1,0,0,0,0|1,0,1]=4 985 B10R1.13 C=C(C)c1ccc(nc1)F 271570a_100000694244_100000748661 [1,1,0,0,0,0|1,0,1]=4 986 B10R1.13 C=C(C)c1ccc(nc1)N 271570a_100000694244_100000187370 [1,1,0,0,0,0|1,0,1]=4 987 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,1,0,0,0,0|0,0,1]=3 988 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,1,0,0,0,0|0,0,1]=3 989 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,1,0,0,0,0|0,0,1]=3 990 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,1,0,0,0,0|0,0,1]=3 991 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,1,0,0,0,0|0,0,1]=3 992 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,1,0,0,0,0|0,0,1]=3 993 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,1,0,0,0,0|0,0,1]=3 994 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [1,1,0,0,0,0|1,0,1]=4 995 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,1,0,0,0,0|1,0,1]=4 996 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [1,1,0,0,0,0|0,0,1]=3 997 B10R1.13 CC(C)c1ccc(cn1)O 271570a_203496583355_100010255768 [1,1,0,0,0,0|1,0,1]=4 998 B10R1.13 CC(C)c1ccc(nc1)O 271570a_203496583355_200009815286 [1,1,0,0,0,0|1,0,1]=4 999 B10R1.13 CC(N)c1ccc(cn1)O 271570a_203496583355_100000723930 [1,1,0,0,0,0|2,0,0]=4 1000 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [1,1,0,0,0,0|0,0,1]=3 1001 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [1,1,0,0,0,0|1,0,1]=4 1002 B10R1.13 CC(O)c1ccc(nc1)O 271570a_203496583355_200010274204 [1,1,0,0,0,0|1,0,1]=4 1003 B10R1.13 CN(C)c1ccc(cc1)Br 2230a_100000219623_200000210301 [1,1,0,0,0,0|1,0,1]=4 1004 B10R1.13 CN(C)c1ccc(cc1)Br 269982a_100000219623_200000210301 [1,1,0,0,0,0|1,0,1]=4 1005 B10R1.13 CN(C)c1ccc(cc1)Br 34a_100000219623_200000210301 [1,1,0,0,0,0|1,0,1]=4 1006 B10R1.13 CN(C)c1ccc(cc1)Cl 2230a_100020629279_200000210301 [1,1,0,0,0,0|1,0,1]=4 1007 B10R1.13 CN(C)c1ccc(cc1)Cl 269982a_100020629279_200000210301 [1,1,0,0,0,0|1,0,1]=4 1008 B10R1.13 CN(C)c1ccc(cc1)Cl 34a_100020629279_200000210301 [1,1,0,0,0,0|1,0,1]=4 1009 B10R1.13 CN(C)c1ccc(cc1)F 2230a_100000219829_200000210301 [1,1,0,0,0,0|1,0,1]=4 1010 B10R1.13 CN(C)c1ccc(cc1)F 269982a_100000219829_200000210301 [1,1,0,0,0,0|1,0,1]=4 1011 B10R1.13 CN(C)c1ccc(cc1)F 34a_100000219829_200000210301 [1,1,0,0,0,0|1,0,1]=4 1012 B10R1.13 CN(C)c1ccc(cc1)I 2230a_100000743151_200000210301 [1,1,0,0,0,0|1,0,1]=4 1013 B10R1.13 CN(C)c1ccc(cc1)I 269982a_100000743151_200000210301 [1,1,0,0,0,0|1,0,1]=4 1014 B10R1.13 CN(C)c1ccc(cc1)I 34a_100000743151_200000210301 [1,1,0,0,0,0|1,0,1]=4 1015 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [1,1,0,0,0,0|1,0,1]=4 1016 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [1,1,0,0,0,0|1,0,1]=4 1017 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [1,1,0,0,0,0|1,0,1]=4 1018 B10R1.13 CN([13CH3])c1ccc(cc1)Br 2230a_100000219623_200025704644 [1,1,0,0,0,0|1,0,1]=4 1019 B10R1.13 CN([13CH3])c1ccc(cc1)Br 269982a_100000219623_200025704644 [1,1,0,0,0,0|1,0,1]=4 1020 B10R1.13 CN([13CH3])c1ccc(cc1)Br 34a_100000219623_200025704644 [1,1,0,0,0,0|1,0,1]=4 1021 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 2230a_100020629279_200025704644 [1,1,0,0,0,0|1,0,1]=4 1022 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 269982a_100020629279_200025704644 [1,1,0,0,0,0|1,0,1]=4 1023 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 34a_100020629279_200025704644 [1,1,0,0,0,0|1,0,1]=4 1024 B10R1.13 CN([13CH3])c1ccc(cc1)F 2230a_100000219829_200025704644 [1,1,0,0,0,0|1,0,1]=4 1025 B10R1.13 CN([13CH3])c1ccc(cc1)F 269982a_100000219829_200025704644 [1,1,0,0,0,0|1,0,1]=4 1026 B10R1.13 CN([13CH3])c1ccc(cc1)F 34a_100000219829_200025704644 [1,1,0,0,0,0|1,0,1]=4 1027 B10R1.13 CN([13CH3])c1ccc(cc1)I 2230a_100000743151_200025704644 [1,1,0,0,0,0|1,0,1]=4 1028 B10R1.13 CN([13CH3])c1ccc(cc1)I 269982a_100000743151_200025704644 [1,1,0,0,0,0|1,0,1]=4 1029 B10R1.13 CN([13CH3])c1ccc(cc1)I 34a_100000743151_200025704644 [1,1,0,0,0,0|1,0,1]=4 1030 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [1,1,0,0,0,0|1,0,1]=4 1031 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [1,1,0,0,0,0|1,0,1]=4 1032 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [1,1,0,0,0,0|1,0,0]=3 1033 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [1,1,0,0,0,0|1,0,0]=3 1034 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [1,1,0,0,0,0|1,0,0]=3 1035 B10R1.13 C[C@H](N)c1ccc(nc1)O 271570a_203496583355_100015387476 [1,1,0,0,0,0|2,0,0]=4 1036 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,1,0,0,0,0|0,0,1]=3 1037 B10R1.13 Cc1ccc(cc1)N(C)C 2230a_100000219977_200000210301 [1,1,0,0,0,0|1,0,1]=4 1038 B10R1.13 Cc1ccc(cc1)N(C)C 269982a_100000219977_200000210301 [1,1,0,0,0,0|1,0,1]=4 1039 B10R1.13 Cc1ccc(cc1)N(C)C 34a_100000219977_200000210301 [1,1,0,0,0,0|1,0,1]=4 1040 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 2230a_100000219977_200025704644 [1,1,0,0,0,0|1,0,1]=4 1041 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 269982a_100000219977_200025704644 [1,1,0,0,0,0|1,0,1]=4 1042 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 34a_100000219977_200025704644 [1,1,0,0,0,0|1,0,1]=4 1043 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [1,1,0,0,0,0|1,0,1]=4 1044 B10R1.13 Oc1ccc(cc1)C(F)F 271570a_203496583355_100010189923 [1,1,0,0,0,0|2,0,0]=4 1045 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,1,0,0,0,0|0,0,1]=3 1046 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,1,0,0,0,0|0,0,1]=3 1047 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,1,0,0,0,0|0,0,1]=3 1048 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,1,0,0,0,0|0,0,1]=3 1049 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,1,0,0,0,0|0,0,1]=3 1050 B10R1.61 C=C(C)c1c[nH]ccc1=O 271570a_100000694244_100009998708 [1,1,0,0,0,0|1,0,1]=4 1051 B10R1.61 C=C(C)c1c[nH]ccc1=S 271570a_100000694244_200012280681 [1,1,0,0,0,0|1,0,1]=4 1052 B10R1.61 C=C(C)c1ccc[nH]c1=O 271570a_100000694244_100000050042 [1,1,0,0,0,0|1,0,1]=4 1053 B10R1.61 C=C(C)c1cccc[n+]1C 271570a_100000694244_100000212160 [1,1,0,0,0,0|1,0,1]=4 1054 B10R1.61 C=C(C)c1cccc[n+]1[O-] 271570a_100000694244_200000042595 [1,1,0,0,0,0|1,0,1]=4 1055 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [1,1,0,0,0,0|0,0,1]=3 1056 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [1,1,0,0,0,0|0,0,1]=3 1057 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [1,1,0,0,0,0|0,0,1]=3 1058 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [1,1,0,0,0,0|0,0,1]=3 1059 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [1,1,0,0,0,0|0,0,1]=3 1060 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [1,1,0,0,0,0|0,0,1]=3 1061 B10R1.61 C=C(C)c1cccnc1Br 271570a_100000694244_100010202626 [1,1,0,0,0,0|1,0,1]=4 1062 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [1,1,0,0,0,0|1,0,1]=4 1063 B10R1.61 C=C(C)c1cccnc1Cl 271570a_100000694244_100000036424 [1,1,0,0,0,0|1,0,1]=4 1064 B10R1.61 C=C(C)c1cccnc1F 271570a_100000694244_100009816115 [1,1,0,0,0,0|1,0,1]=4 1065 B10R1.61 C=C(C)c1cccnc1N 271570a_100000694244_100000045569 [1,1,0,0,0,0|1,0,1]=4 1066 B10R1.61 C=C(C)c1ccncc1Br 271570a_100000694244_100000726257 [1,1,0,0,0,0|1,0,1]=4 1067 B10R1.61 C=C(C)c1ccncc1C 271570a_100000694244_100015191297 [1,1,0,0,0,0|1,0,1]=4 1068 B10R1.61 C=C(C)c1ccncc1Cl 271570a_100000694244_100000708259 [1,1,0,0,0,0|1,0,1]=4 1069 B10R1.61 C=C(C)c1ccncc1F 271570a_100000694244_100000047030 [1,1,0,0,0,0|1,0,1]=4 1070 B10R1.61 C=C(C)c1ccncc1N 271570a_100000694244_100009815883 [1,1,0,0,0,0|1,0,1]=4 1071 B10R1.61 C=C(C)c1ccncc1O 271570a_100000694244_100009817591 [1,1,0,0,0,0|1,0,1]=4 1072 B10R1.61 C=C(C)c1cnccc1Br 271570a_100000694244_100010138639 [1,1,0,0,0,0|1,0,1]=4 1073 B10R1.61 C=C(C)c1cnccc1C 271570a_100000694244_100000761580 [1,1,0,0,0,0|1,0,1]=4 1074 B10R1.61 C=C(C)c1cnccc1Cl 271570a_100000694244_100009995489 [1,1,0,0,0,0|1,0,1]=4 1075 B10R1.61 C=C(C)c1cnccc1F 271570a_100000694244_100009820683 [1,1,0,0,0,0|1,0,1]=4 1076 B10R1.61 C=C(C)c1cnccc1N 271570a_100000694244_100000047001 [1,1,0,0,0,0|1,0,1]=4 1077 B10R1.61 C=C(C)c1ncccc1Br 271570a_100000694244_100000696092 [1,1,0,0,0,0|1,0,1]=4 1078 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [1,1,0,0,0,0|1,0,1]=4 1079 B10R1.61 C=C(C)c1ncccc1Cl 271570a_100000694244_100011356963 [1,1,0,0,0,0|1,0,1]=4 1080 B10R1.61 C=C(C)c1ncccc1F 271570a_100000694244_100000685392 [1,1,0,0,0,0|1,0,1]=4 1081 B10R1.61 C=C(C)c1ncccc1N 271570a_100000694244_100000688686 [1,1,0,0,0,0|1,0,1]=4 1082 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [1,1,0,0,0,0|1,0,1]=4 1083 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [1,1,0,0,0,0|0,0,1]=3 1084 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [1,1,0,0,0,0|0,0,1]=3 1085 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [1,1,0,0,0,0|0,0,1]=3 1086 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [1,1,0,0,0,0|0,0,1]=3 1087 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [1,1,0,0,0,0|0,0,1]=3 1088 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [1,1,0,0,0,0|0,0,1]=3 1089 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [1,1,0,0,0,0|0,0,1]=3 1090 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [1,1,0,0,0,0|0,0,1]=3 1091 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [1,1,0,0,0,0|1,0,1]=4 1092 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [1,1,0,0,0,0|1,0,1]=4 1093 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [1,1,0,0,0,0|1,0,1]=4 1094 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [1,1,0,0,0,0|1,0,1]=4 1095 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [1,1,0,0,0,0|0,0,1]=3 1096 B10R1.61 CC(C)c1cccnc1O 271570a_203496583355_200010382935 [1,1,0,0,0,0|1,0,1]=4 1097 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [1,1,0,0,0,0|1,0,0]=3 1098 B10R1.61 CC(N)c1ncccc1O 271570a_203496583355_100159271932 [1,1,0,0,0,0|2,0,0]=4 1099 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [1,1,0,0,0,0|0,0,1]=3 1100 B10R1.61 CC(O)c1cccnc1O 271570a_203496583355_100009865335 [1,1,0,0,0,0|1,0,1]=4 1101 B10R1.61 CN(C)c1ccccc1Br 2230a_100020606079_200000210301 [1,1,0,0,0,0|1,0,1]=4 1102 B10R1.61 CN(C)c1ccccc1Br 269982a_100020606079_200000210301 [1,1,0,0,0,0|1,0,1]=4 1103 B10R1.61 CN(C)c1ccccc1Br 34a_100020606079_200000210301 [1,1,0,0,0,0|1,0,1]=4 1104 B10R1.61 CN(C)c1ccccc1Cl 2230a_100000219374_200000210301 [1,1,0,0,0,0|1,0,1]=4 1105 B10R1.61 CN(C)c1ccccc1Cl 269982a_100000219374_200000210301 [1,1,0,0,0,0|1,0,1]=4 1106 B10R1.61 CN(C)c1ccccc1Cl 34a_100000219374_200000210301 [1,1,0,0,0,0|1,0,1]=4 1107 B10R1.61 CN(C)c1ccccc1F 2230a_100000220357_200000210301 [1,1,0,0,0,0|1,0,1]=4 1108 B10R1.61 CN(C)c1ccccc1F 269982a_100000220357_200000210301 [1,1,0,0,0,0|1,0,1]=4 1109 B10R1.61 CN(C)c1ccccc1F 34a_100000220357_200000210301 [1,1,0,0,0,0|1,0,1]=4 1110 B10R1.61 CN(C)c1ccccc1F 38a_100000220357_200000210301 [1,1,0,0,0,0|1,0,1]=4 1111 B10R1.61 CN(C)c1ccccc1O 269982a_100000033821_200000210301 [1,1,0,0,0,0|1,0,1]=4 1112 B10R1.61 CN(C)c1ccccc1O 271570a_203496583355_100011290883 [1,1,0,0,0,0|1,0,1]=4 1113 B10R1.61 CN([13CH3])c1ccccc1Br 2230a_100020606079_200025704644 [1,1,0,0,0,0|1,0,1]=4 1114 B10R1.61 CN([13CH3])c1ccccc1Br 269982a_100020606079_200025704644 [1,1,0,0,0,0|1,0,1]=4 1115 B10R1.61 CN([13CH3])c1ccccc1Br 34a_100020606079_200025704644 [1,1,0,0,0,0|1,0,1]=4 1116 B10R1.61 CN([13CH3])c1ccccc1Cl 2230a_100000219374_200025704644 [1,1,0,0,0,0|1,0,1]=4 1117 B10R1.61 CN([13CH3])c1ccccc1Cl 269982a_100000219374_200025704644 [1,1,0,0,0,0|1,0,1]=4 1118 B10R1.61 CN([13CH3])c1ccccc1Cl 34a_100000219374_200025704644 [1,1,0,0,0,0|1,0,1]=4 1119 B10R1.61 CN([13CH3])c1ccccc1F 2230a_100000220357_200025704644 [1,1,0,0,0,0|1,0,1]=4 1120 B10R1.61 CN([13CH3])c1ccccc1F 269982a_100000220357_200025704644 [1,1,0,0,0,0|1,0,1]=4 1121 B10R1.61 CN([13CH3])c1ccccc1F 34a_100000220357_200025704644 [1,1,0,0,0,0|1,0,1]=4 1122 B10R1.61 CN([13CH3])c1ccccc1F 38a_100000220357_200025704644 [1,1,0,0,0,0|1,0,1]=4 1123 B10R1.61 CN([13CH3])c1ccccc1O 269982a_100000033821_200025704644 [1,1,0,0,0,0|1,0,1]=4 1124 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [1,1,0,0,0,0|1,0,0]=3 1125 B10R1.61 C[C@H](O)c1ncccc1O 271570a_203496583355_100013325542 [1,1,0,0,0,0|1,0,1]=4 1126 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [1,1,0,0,0,0|0,0,1]=3 1127 B10R1.61 Cc1ccccc1N(C)C 2230a_100000219699_200000210301 [1,1,0,0,0,0|1,0,1]=4 1128 B10R1.61 Cc1ccccc1N(C)C 269982a_100000219699_200000210301 [1,1,0,0,0,0|1,0,1]=4 1129 B10R1.61 Cc1ccccc1N(C)C 34a_100000219699_200000210301 [1,1,0,0,0,0|1,0,1]=4 1130 B10R1.61 Cc1ccccc1N(C)[13CH3] 2230a_100000219699_200025704644 [1,1,0,0,0,0|1,0,1]=4 1131 B10R1.61 Cc1ccccc1N(C)[13CH3] 269982a_100000219699_200025704644 [1,1,0,0,0,0|1,0,1]=4 1132 B10R1.61 Cc1ccccc1N(C)[13CH3] 34a_100000219699_200025704644 [1,1,0,0,0,0|1,0,1]=4 1133 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [1,1,0,0,0,0|1,0,1]=4 1134 B10R1.61 Oc1ccccc1C(F)F 271570a_203496583355_100010169824 [1,1,0,0,0,0|2,0,0]=4 1135 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [1,1,0,0,0,0|0,0,1]=3 1136 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [1,1,0,0,0,0|0,0,1]=3 1137 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [1,1,0,0,0,0|0,0,1]=3 1138 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [1,1,0,0,0,0|0,0,1]=3 1139 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [1,1,0,0,0,0|0,0,1]=3 1140 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [1,1,0,0,0,0|0,0,1]=3 1141 B10R1.113 C=C(C)c1cc(ccn1)C 271570a_100000694244_100000750283 [1,1,0,0,0,0|1,0,1]=4 1142 B10R1.113 C=C(C)c1cc(ccn1)Cl 271570a_100000694244_100010167805 [1,1,0,0,0,0|1,0,1]=4 1143 B10R1.113 C=C(C)c1cc(ccn1)F 271570a_100000694244_100009817058 [1,1,0,0,0,0|1,0,1]=4 1144 B10R1.113 C=C(C)c1cc(ccn1)N 271570a_100000694244_100009814236 [1,1,0,0,0,0|1,0,1]=4 1145 B10R1.113 C=C(C)c1cc(ccn1)O 271570a_100000694244_100000762945 [1,1,0,0,0,0|1,0,1]=4 1146 B10R1.113 C=C(C)c1cc[nH]c(=O)c1 271570a_100000694244_100009816521 [1,1,0,0,0,0|1,0,1]=4 1147 B10R1.113 C=C(C)c1ccc[n+](c1)C 271570a_100000694244_100009996589 [1,1,0,0,0,0|1,0,1]=4 1148 B10R1.113 C=C(C)c1ccc[n+](c1)[O-] 271570a_100000694244_100009815978 [1,1,0,0,0,0|1,0,1]=4 1149 B10R1.113 C=C(C)c1cccc(=O)[nH]1 271570a_100000694244_100000761760 [1,1,0,0,0,0|1,0,1]=4 1150 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [1,1,0,0,0,0|0,0,1]=3 1151 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [1,1,0,0,0,0|0,0,1]=3 1152 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [1,1,0,0,0,0|0,0,1]=3 1153 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [1,1,0,0,0,0|0,0,1]=3 1154 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [1,1,0,0,0,0|0,0,1]=3 1155 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [1,1,0,0,0,0|0,0,1]=3 1156 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [1,1,0,0,0,0|0,0,1]=3 1157 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [1,1,0,0,0,0|0,0,1]=3 1158 B10R1.113 C=C(C)c1cccc(n1)Br 271570a_100000694244_100000684672 [1,1,0,0,0,0|1,0,1]=4 1159 B10R1.113 C=C(C)c1cccc(n1)C 271570a_100000694244_100000742759 [1,1,0,0,0,0|1,0,1]=4 1160 B10R1.113 C=C(C)c1cccc(n1)F 271570a_100000694244_100009815982 [1,1,0,0,0,0|1,0,1]=4 1161 B10R1.113 C=C(C)c1cccc(n1)N 271570a_100000694244_100000740741 [1,1,0,0,0,0|1,0,1]=4 1162 B10R1.113 C=C(C)c1ccnc(c1)Br 271570a_100000694244_100009814637 [1,1,0,0,0,0|1,0,1]=4 1163 B10R1.113 C=C(C)c1ccnc(c1)C 271570a_100000694244_100000758586 [1,1,0,0,0,0|1,0,1]=4 1164 B10R1.113 C=C(C)c1ccnc(c1)Cl 271570a_100000694244_100000035001 [1,1,0,0,0,0|1,0,1]=4 1165 B10R1.113 C=C(C)c1ccnc(c1)F 271570a_100000694244_100009816116 [1,1,0,0,0,0|1,0,1]=4 1166 B10R1.113 C=C(C)c1ccnc(c1)N 271570a_100000694244_100000744379 [1,1,0,0,0,0|1,0,1]=4 1167 B10R1.113 C=C(C)c1cncc(c1)Br 271570a_100000694244_100000728054 [1,1,0,0,0,0|1,0,1]=4 1168 B10R1.113 C=C(C)c1cncc(c1)C 271570a_100000694244_100000760492 [1,1,0,0,0,0|1,0,1]=4 1169 B10R1.113 C=C(C)c1cncc(c1)Cl 271570a_100000694244_100000049639 [1,1,0,0,0,0|1,0,1]=4 1170 B10R1.113 C=C(C)c1cncc(c1)F 271570a_100000694244_100000744099 [1,1,0,0,0,0|1,0,1]=4 1171 B10R1.113 C=C(C)c1cncc(c1)N 271570a_100000694244_100000687067 [1,1,0,0,0,0|1,0,1]=4 1172 B10R1.113 C=C(C)c1cncc(c1)O 271570a_100000694244_100000754920 [1,1,0,0,0,0|1,0,1]=4 1173 B10R1.113 C=C(C)c1cncc(c1)O 271570a_203496583355_200009889500 [1,1,0,0,0,0|1,0,1]=4 1174 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [1,1,0,0,0,0|1,0,1]=4 1175 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [1,1,0,0,0,0|0,0,1]=3 1176 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [1,1,0,0,0,0|0,0,1]=3 1177 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [1,1,0,0,0,0|0,0,1]=3 1178 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [1,1,0,0,0,0|0,0,1]=3 1179 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [1,1,0,0,0,0|0,0,1]=3 1180 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [1,1,0,0,0,0|0,0,1]=3 1181 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [1,1,0,0,0,0|0,0,1]=3 1182 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [1,1,0,0,0,0|1,0,1]=4 1183 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [1,1,0,0,0,0|1,0,1]=4 1184 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [1,1,0,0,0,0|1,0,1]=4 1185 B10R1.113 CC(C)c1cc(ccn1)O 271570a_203496583355_100010237922 [1,1,0,0,0,0|1,0,1]=4 1186 B10R1.113 CC(C)c1cccc(c1)O 271570a_203496583355_100011214899 [1,1,0,0,0,0|0,0,1]=3 1187 B10R1.113 CC(C)c1cccc(n1)O 271570a_203496583355_100012318657 [1,1,0,0,0,0|1,0,1]=4 1188 B10R1.113 CC(C)c1ccnc(c1)O 271570a_203496583355_100010237925 [1,1,0,0,0,0|1,0,1]=4 1189 B10R1.113 CC(C)c1cncc(c1)O 271570a_203496583355_200010191214 [1,1,0,0,0,0|1,0,1]=4 1190 B10R1.113 CC(N)c1cccc(c1)O 271570a_203496583355_100020642005 [1,1,0,0,0,0|1,0,0]=3 1191 B10R1.113 CC(N)c1cccc(n1)O 271570a_203496583355_200010173468 [1,1,0,0,0,0|2,0,0]=4 1192 B10R1.113 CC(O)c1cc(ccn1)O 271570a_203496583355_100000144657 [1,1,0,0,0,0|1,0,1]=4 1193 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [1,1,0,0,0,0|0,0,1]=3 1194 B10R1.113 CC(O)c1cccc(n1)O 271570a_203496583355_100009820884 [1,1,0,0,0,0|1,0,1]=4 1195 B10R1.113 CC(O)c1cncc(c1)O 271570a_203496583355_100012351597 [1,1,0,0,0,0|1,0,1]=4 1196 B10R1.113 CN(C)c1cccc(c1)Br 2230a_100000219648_200000210301 [1,1,0,0,0,0|1,0,1]=4 1197 B10R1.113 CN(C)c1cccc(c1)Br 269982a_100000219648_200000210301 [1,1,0,0,0,0|1,0,1]=4 1198 B10R1.113 CN(C)c1cccc(c1)Br 34a_100000219648_200000210301 [1,1,0,0,0,0|1,0,1]=4 1199 B10R1.113 CN(C)c1cccc(c1)Cl 2230a_100000220044_200000210301 [1,1,0,0,0,0|1,0,1]=4 1200 B10R1.113 CN(C)c1cccc(c1)Cl 269982a_100000220044_200000210301 [1,1,0,0,0,0|1,0,1]=4 1201 B10R1.113 CN(C)c1cccc(c1)Cl 34a_100000220044_200000210301 [1,1,0,0,0,0|1,0,1]=4 1202 B10R1.113 CN(C)c1cccc(c1)F 2230a_100020633736_200000210301 [1,1,0,0,0,0|1,0,1]=4 1203 B10R1.113 CN(C)c1cccc(c1)F 269982a_100020633736_200000210301 [1,1,0,0,0,0|1,0,1]=4 1204 B10R1.113 CN(C)c1cccc(c1)F 34a_100020633736_200000210301 [1,1,0,0,0,0|1,0,1]=4 1205 B10R1.113 CN(C)c1cccc(c1)I 2230a_100000221217_200000210301 [1,1,0,0,0,0|1,0,1]=4 1206 B10R1.113 CN(C)c1cccc(c1)I 269982a_100000221217_200000210301 [1,1,0,0,0,0|1,0,1]=4 1207 B10R1.113 CN(C)c1cccc(c1)I 34a_100000221217_200000210301 [1,1,0,0,0,0|1,0,1]=4 1208 B10R1.113 CN(C)c1cccc(c1)O 2230a_100000756613_200000210301 [1,1,0,0,0,0|1,0,1]=4 1209 B10R1.113 CN(C)c1cccc(c1)O 269982a_100000756613_200000210301 [1,1,0,0,0,0|1,0,1]=4 1210 B10R1.113 CN(C)c1cccc(c1)O 271570a_203496583355_100011215952 [1,1,0,0,0,0|1,0,1]=4 1211 B10R1.113 CN(C)c1cccc(c1)O 34a_100000756613_200000210301 [1,1,0,0,0,0|1,0,1]=4 1212 B10R1.113 CN([13CH3])c1cccc(c1)Br 2230a_100000219648_200025704644 [1,1,0,0,0,0|1,0,1]=4 1213 B10R1.113 CN([13CH3])c1cccc(c1)Br 269982a_100000219648_200025704644 [1,1,0,0,0,0|1,0,1]=4 1214 B10R1.113 CN([13CH3])c1cccc(c1)Br 34a_100000219648_200025704644 [1,1,0,0,0,0|1,0,1]=4 1215 B10R1.113 CN([13CH3])c1cccc(c1)Cl 2230a_100000220044_200025704644 [1,1,0,0,0,0|1,0,1]=4 1216 B10R1.113 CN([13CH3])c1cccc(c1)Cl 269982a_100000220044_200025704644 [1,1,0,0,0,0|1,0,1]=4 1217 B10R1.113 CN([13CH3])c1cccc(c1)Cl 34a_100000220044_200025704644 [1,1,0,0,0,0|1,0,1]=4 1218 B10R1.113 CN([13CH3])c1cccc(c1)F 2230a_100020633736_200025704644 [1,1,0,0,0,0|1,0,1]=4 1219 B10R1.113 CN([13CH3])c1cccc(c1)F 269982a_100020633736_200025704644 [1,1,0,0,0,0|1,0,1]=4 1220 B10R1.113 CN([13CH3])c1cccc(c1)F 34a_100020633736_200025704644 [1,1,0,0,0,0|1,0,1]=4 1221 B10R1.113 CN([13CH3])c1cccc(c1)I 2230a_100000221217_200025704644 [1,1,0,0,0,0|1,0,1]=4 1222 B10R1.113 CN([13CH3])c1cccc(c1)I 269982a_100000221217_200025704644 [1,1,0,0,0,0|1,0,1]=4 1223 B10R1.113 CN([13CH3])c1cccc(c1)I 34a_100000221217_200025704644 [1,1,0,0,0,0|1,0,1]=4 1224 B10R1.113 CN([13CH3])c1cccc(c1)O 2230a_100000756613_200025704644 [1,1,0,0,0,0|1,0,1]=4 1225 B10R1.113 CN([13CH3])c1cccc(c1)O 269982a_100000756613_200025704644 [1,1,0,0,0,0|1,0,1]=4 1226 B10R1.113 CN([13CH3])c1cccc(c1)O 34a_100000756613_200025704644 [1,1,0,0,0,0|1,0,1]=4 1227 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [1,1,0,0,0,0|1,0,0]=3 1228 B10R1.113 C[C@@H](N)c1cncc(c1)O 271570a_203496583355_100012350620 [1,1,0,0,0,0|2,0,0]=4 1229 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [1,1,0,0,0,0|0,0,1]=3 1230 B10R1.113 Cc1cccc(c1)N(C)C 2230a_100000219674_200000210301 [1,1,0,0,0,0|1,0,1]=4 1231 B10R1.113 Cc1cccc(c1)N(C)C 269982a_100000219674_200000210301 [1,1,0,0,0,0|1,0,1]=4 1232 B10R1.113 Cc1cccc(c1)N(C)C 34a_100000219674_200000210301 [1,1,0,0,0,0|1,0,1]=4 1233 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 2230a_100000219674_200025704644 [1,1,0,0,0,0|1,0,1]=4 1234 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 269982a_100000219674_200025704644 [1,1,0,0,0,0|1,0,1]=4 1235 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 34a_100000219674_200025704644 [1,1,0,0,0,0|1,0,1]=4 1236 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [1,1,0,0,0,0|1,0,1]=4 1237 B10R1.113 Oc1cccc(c1)C(F)F 271570a_203496583355_100009892619 [1,1,0,0,0,0|2,0,0]=4 1238 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [1,1,0,0,0,0|0,0,1]=3 1239 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [1,1,0,0,0,0|0,0,1]=3 1240 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [1,1,0,0,0,0|0,0,1]=3 1241 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [1,1,0,0,0,0|0,0,1]=3 1242 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [1,1,0,0,0,0|0,0,1]=3 1243 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [1,1,0,0,0,0|1,0,1]=4 1244 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [1,1,0,0,0,0|1,0,1]=4 1245 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [1,1,0,0,0,0|1,0,1]=4 1246 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [1,1,0,0,0,0|1,0,1]=4 1247 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [1,1,0,0,0,0|1,0,1]=4 1248 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [1,1,0,0,0,0|1,0,1]=4 1249 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [1,1,0,0,0,0|1,0,1]=4 1250 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [1,1,0,0,0,0|1,0,1]=4 1251 B10R1.1 CNCc1ccc(cc1)Br 207a_100102657272_100000186029 [1,1,0,0,0,0|2,0,0]=4 1252 B10R1.1 CNCc1ccc(cc1)Br 2230a_100000174875_200000210301 [1,1,0,0,0,0|2,0,0]=4 1253 B10R1.1 CNCc1ccc(cc1)Br 2230a_106832991635_100011217064 [1,1,0,0,0,0|2,0,0]=4 1254 B10R1.1 CNCc1ccc(cc1)Br 26a_100102657272_100000185759 [1,1,0,0,0,0|2,0,0]=4 1255 B10R1.1 CNCc1ccc(cc1)Br 270004a_106832991635_100000186029 [1,1,0,0,0,0|2,0,0]=4 1256 B10R1.1 CNCc1ccc(cc1)Br 34a_100000174875_200000210301 [1,1,0,0,0,0|2,0,0]=4 1257 B10R1.1 CNCc1ccc(cc1)Br 34a_100102657272_100000189115 [1,1,0,0,0,0|2,0,0]=4 1258 B10R1.1 CNCc1ccc(cc1)Br 7a_106832991635_100011217064 [1,1,0,0,0,0|2,0,0]=4 1259 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [1,1,0,0,0,0|2,0,0]=4 1260 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [1,1,0,0,0,0|2,0,0]=4 1261 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [1,1,0,0,0,0|2,0,0]=4 1262 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [1,1,0,0,0,0|2,0,0]=4 1263 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [1,1,0,0,0,0|2,0,0]=4 1264 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [1,1,0,0,0,0|2,0,0]=4 1265 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [1,1,0,0,0,0|2,0,0]=4 1266 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [1,1,0,0,0,0|2,0,0]=4 1267 B10R1.1 CNCc1ccc(cc1)Cl 207a_100102657272_100000189385 [1,1,0,0,0,0|2,0,0]=4 1268 B10R1.1 CNCc1ccc(cc1)Cl 2230a_100000174871_200000210301 [1,1,0,0,0,0|2,0,0]=4 1269 B10R1.1 CNCc1ccc(cc1)Cl 2230a_106832991635_100000694040 [1,1,0,0,0,0|2,0,0]=4 1270 B10R1.1 CNCc1ccc(cc1)Cl 270004a_106832991635_100000189385 [1,1,0,0,0,0|2,0,0]=4 1271 B10R1.1 CNCc1ccc(cc1)Cl 34a_100000174871_200000210301 [1,1,0,0,0,0|2,0,0]=4 1272 B10R1.1 CNCc1ccc(cc1)Cl 34a_100102657272_100000694040 [1,1,0,0,0,0|2,0,0]=4 1273 B10R1.1 CNCc1ccc(cc1)Cl 7a_106832991635_100000187161 [1,1,0,0,0,0|2,0,0]=4 1274 B10R1.1 CNCc1ccc(cc1)F 207a_100102657272_100000210084 [1,1,0,0,0,0|2,0,0]=4 1275 B10R1.1 CNCc1ccc(cc1)F 2230a_100000174882_200000210301 [1,1,0,0,0,0|2,0,0]=4 1276 B10R1.1 CNCc1ccc(cc1)F 2230a_106832991635_100000198546 [1,1,0,0,0,0|2,0,0]=4 1277 B10R1.1 CNCc1ccc(cc1)F 270004a_106832991635_100000210084 [1,1,0,0,0,0|2,0,0]=4 1278 B10R1.1 CNCc1ccc(cc1)F 34a_100000174882_200000210301 [1,1,0,0,0,0|2,0,0]=4 1279 B10R1.1 CNCc1ccc(cc1)F 34a_100102657272_100000198546 [1,1,0,0,0,0|2,0,0]=4 1280 B10R1.1 CNCc1ccc(cc1)F 7a_106832991635_100000198546 [1,1,0,0,0,0|2,0,0]=4 1281 B10R1.1 CNCc1ccc(cc1)I 207a_100102657272_100000188517 [1,1,0,0,0,0|2,0,0]=4 1282 B10R1.1 CNCc1ccc(cc1)I 2230a_100016989417_200000210301 [1,1,0,0,0,0|2,0,0]=4 1283 B10R1.1 CNCc1ccc(cc1)I 2230a_106832991635_100000189116 [1,1,0,0,0,0|2,0,0]=4 1284 B10R1.1 CNCc1ccc(cc1)I 34a_100016989417_200000210301 [1,1,0,0,0,0|2,0,0]=4 1285 B10R1.1 CNCc1ccc(cc1)I 34a_100102657272_100000189116 [1,1,0,0,0,0|2,0,0]=4 1286 B10R1.1 CNCc1ccc(cc1)I 7a_106832991635_100000189116 [1,1,0,0,0,0|2,0,0]=4 1287 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [1,1,0,0,0,0|2,0,0]=4 1288 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [1,1,0,0,0,0|2,0,0]=4 1289 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [1,1,0,0,0,0|2,0,0]=4 1290 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [1,1,0,0,0,0|2,0,0]=4 1291 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [1,1,0,0,0,0|2,0,0]=4 1292 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [1,1,0,0,0,0|2,0,0]=4 1293 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [1,1,0,0,0,0|2,0,0]=4 1294 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [1,1,0,0,0,0|2,0,0]=4 1295 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [1,1,0,0,0,0|2,0,0]=4 1296 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [1,1,0,0,0,0|2,0,0]=4 1297 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [1,1,0,0,0,0|2,0,0]=4 1298 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [1,1,0,0,0,0|2,0,0]=4 1299 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [1,1,0,0,0,0|2,0,0]=4 1300 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [1,1,0,0,0,0|2,0,0]=4 1301 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [1,1,0,0,0,0|2,0,0]=4 1302 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [1,1,0,0,0,0|2,0,0]=4 1303 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [1,1,0,0,0,0|2,0,0]=4 1304 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [1,1,0,0,0,0|2,0,0]=4 1305 B10R1.1 CSCc1ccc(cc1)Br 62a_100000189115_200000210301 [1,1,0,0,0,0|2,0,0]=4 1306 B10R1.1 CSCc1ccc(cc1)Br 62a_200000210301_100000189115 [1,1,0,0,0,0|2,0,0]=4 1307 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [1,1,0,0,0,0|2,0,0]=4 1308 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [1,1,0,0,0,0|2,0,0]=4 1309 B10R1.1 CSCc1ccc(cc1)Cl 62a_100000187161_200000210301 [1,1,0,0,0,0|2,0,0]=4 1310 B10R1.1 CSCc1ccc(cc1)Cl 62a_200000210301_100000187161 [1,1,0,0,0,0|2,0,0]=4 1311 B10R1.1 CSCc1ccc(cc1)F 62a_100000198546_200000210301 [1,1,0,0,0,0|2,0,0]=4 1312 B10R1.1 CSCc1ccc(cc1)F 62a_200000210301_100000187164 [1,1,0,0,0,0|2,0,0]=4 1313 B10R1.1 CSCc1ccc(cc1)I 62a_100000189116_200000210301 [1,1,0,0,0,0|2,0,0]=4 1314 B10R1.1 CSCc1ccc(cc1)I 62a_200000210301_100000189116 [1,1,0,0,0,0|2,0,0]=4 1315 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [1,1,0,0,0,0|2,0,0]=4 1316 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [1,1,0,0,0,0|2,0,0]=4 1317 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [1,1,0,0,0,0|2,0,0]=4 1318 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [1,1,0,0,0,0|2,0,0]=4 1319 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [1,1,0,0,0,0|2,0,0]=4 1320 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [1,1,0,0,0,0|2,0,0]=4 1321 B10R1.1 N#CCc1ccc(cc1)O 271570a_203496583355_100011217881 [1,1,0,0,0,0|1,0,1]=4 1322 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [1,1,0,0,0,0|1,0,1]=4 1323 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [1,1,0,0,0,0|2,0,0]=4 1324 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [1,1,0,0,0,0|0,0,0]=2 1325 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [1,1,0,0,0,0|0,0,2]=4 1326 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [1,1,0,0,0,0|1,0,1]=4 1327 B10R1.1 [13CH3]NCc1ccc(cc1)Br 2230a_100000174875_200025704644 [1,1,0,0,0,0|2,0,0]=4 1328 B10R1.1 [13CH3]NCc1ccc(cc1)Br 34a_100000174875_200025704644 [1,1,0,0,0,0|2,0,0]=4 1329 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 2230a_100000174871_200025704644 [1,1,0,0,0,0|2,0,0]=4 1330 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 34a_100000174871_200025704644 [1,1,0,0,0,0|2,0,0]=4 1331 B10R1.1 [13CH3]NCc1ccc(cc1)F 2230a_100000174882_200025704644 [1,1,0,0,0,0|2,0,0]=4 1332 B10R1.1 [13CH3]NCc1ccc(cc1)F 34a_100000174882_200025704644 [1,1,0,0,0,0|2,0,0]=4 1333 B10R1.1 [13CH3]NCc1ccc(cc1)I 2230a_100016989417_200025704644 [1,1,0,0,0,0|2,0,0]=4 1334 B10R1.1 [13CH3]NCc1ccc(cc1)I 34a_100016989417_200025704644 [1,1,0,0,0,0|2,0,0]=4 1335 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [1,1,0,0,0,0|2,0,0]=4 1336 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [1,1,0,0,0,0|2,0,0]=4 1337 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [1,1,0,0,0,0|2,0,0]=4 1338 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [1,1,0,0,0,0|2,0,0]=4 1339 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [1,1,0,0,0,0|2,0,0]=4 1340 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [1,1,0,0,0,0|2,0,0]=4 1341 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [1,1,0,0,0,0|2,0,0]=4 1342 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [1,1,0,0,0,0|2,0,0]=4 1343 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [1,1,0,0,0,0|2,0,0]=4 1344 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_100000189115_200025704644 [1,1,0,0,0,0|2,0,0]=4 1345 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_200025704644_100000189115 [1,1,0,0,0,0|2,0,0]=4 1346 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_100000187161_200025704644 [1,1,0,0,0,0|2,0,0]=4 1347 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_200025704644_100000187161 [1,1,0,0,0,0|2,0,0]=4 1348 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_100000198546_200025704644 [1,1,0,0,0,0|2,0,0]=4 1349 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_200025704644_100000187164 [1,1,0,0,0,0|2,0,0]=4 1350 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_100000189116_200025704644 [1,1,0,0,0,0|2,0,0]=4 1351 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_200025704644_100000189116 [1,1,0,0,0,0|2,0,0]=4 1352 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,1,0,0,0,0|1,0,0]=3 1353 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,1,0,0,0,0|1,0,1]=4 1354 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,1,0,0,0,0|1,0,1]=4 1355 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,1,0,0,0,0|1,0,1]=4 1356 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,1,0,0,0,0|1,0,1]=4 1357 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,1,0,0,0,0|1,0,1]=4 1358 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,1,0,0,0,0|1,0,1]=4 1359 B10R1.4 CNCc1ccccc1Br 207a_100102657272_100000211189 [1,1,0,0,0,0|2,0,0]=4 1360 B10R1.4 CNCc1ccccc1Br 2230a_100000689332_200000210301 [1,1,0,0,0,0|2,0,0]=4 1361 B10R1.4 CNCc1ccccc1Br 2230a_106832991635_100000184730 [1,1,0,0,0,0|2,0,0]=4 1362 B10R1.4 CNCc1ccccc1Br 26a_100102657272_100000181306 [1,1,0,0,0,0|2,0,0]=4 1363 B10R1.4 CNCc1ccccc1Br 270004a_106832991635_100000211189 [1,1,0,0,0,0|2,0,0]=4 1364 B10R1.4 CNCc1ccccc1Br 34a_100000689332_200000210301 [1,1,0,0,0,0|2,0,0]=4 1365 B10R1.4 CNCc1ccccc1Br 34a_100102657272_100000184730 [1,1,0,0,0,0|2,0,0]=4 1366 B10R1.4 CNCc1ccccc1Br 7a_106832991635_100000184730 [1,1,0,0,0,0|2,0,0]=4 1367 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,1,0,0,0,0|2,0,0]=4 1368 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,1,0,0,0,0|2,0,0]=4 1369 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,1,0,0,0,0|2,0,0]=4 1370 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,1,0,0,0,0|2,0,0]=4 1371 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,1,0,0,0,0|2,0,0]=4 1372 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,1,0,0,0,0|2,0,0]=4 1373 B10R1.4 CNCc1ccccc1Cl 207a_100102657272_100000210073 [1,1,0,0,0,0|2,0,0]=4 1374 B10R1.4 CNCc1ccccc1Cl 2230a_100000174879_200000210301 [1,1,0,0,0,0|2,0,0]=4 1375 B10R1.4 CNCc1ccccc1Cl 2230a_106832991635_100000187162 [1,1,0,0,0,0|2,0,0]=4 1376 B10R1.4 CNCc1ccccc1Cl 26a_100102657272_100000210172 [1,1,0,0,0,0|2,0,0]=4 1377 B10R1.4 CNCc1ccccc1Cl 270004a_106832991635_100000210073 [1,1,0,0,0,0|2,0,0]=4 1378 B10R1.4 CNCc1ccccc1Cl 34a_100000174879_200000210301 [1,1,0,0,0,0|2,0,0]=4 1379 B10R1.4 CNCc1ccccc1Cl 34a_100102657272_100000187162 [1,1,0,0,0,0|2,0,0]=4 1380 B10R1.4 CNCc1ccccc1Cl 7a_106832991635_100000187162 [1,1,0,0,0,0|2,0,0]=4 1381 B10R1.4 CNCc1ccccc1F 207a_100102657272_100000210811 [1,1,0,0,0,0|2,0,0]=4 1382 B10R1.4 CNCc1ccccc1F 2230a_106832991635_100000211605 [1,1,0,0,0,0|2,0,0]=4 1383 B10R1.4 CNCc1ccccc1F 270004a_106832991635_100000210811 [1,1,0,0,0,0|2,0,0]=4 1384 B10R1.4 CNCc1ccccc1F 34a_100000174869_200000210301 [1,1,0,0,0,0|2,0,0]=4 1385 B10R1.4 CNCc1ccccc1F 34a_100102657272_100000211605 [1,1,0,0,0,0|2,0,0]=4 1386 B10R1.4 CNCc1ccccc1F 7a_106832991635_100000211605 [1,1,0,0,0,0|2,0,0]=4 1387 B10R1.4 CNCc1ccccc1I 207a_100102657272_100000010305 [1,1,0,0,0,0|2,0,0]=4 1388 B10R1.4 CNCc1ccccc1I 2230a_106832991635_100011215278 [1,1,0,0,0,0|2,0,0]=4 1389 B10R1.4 CNCc1ccccc1I 270004a_106832991635_100000010305 [1,1,0,0,0,0|2,0,0]=4 1390 B10R1.4 CNCc1ccccc1I 34a_100102657272_100011215278 [1,1,0,0,0,0|2,0,0]=4 1391 B10R1.4 CNCc1ccccc1I 7a_106832991635_100011215278 [1,1,0,0,0,0|2,0,0]=4 1392 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [1,1,0,0,0,0|2,0,0]=4 1393 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [1,1,0,0,0,0|2,0,0]=4 1394 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [1,1,0,0,0,0|2,0,0]=4 1395 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [1,1,0,0,0,0|2,0,0]=4 1396 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [1,1,0,0,0,0|2,0,0]=4 1397 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,1,0,0,0,0|2,0,0]=4 1398 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,1,0,0,0,0|2,0,0]=4 1399 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,1,0,0,0,0|2,0,0]=4 1400 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [1,1,0,0,0,0|2,0,0]=4 1401 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [1,1,0,0,0,0|2,0,0]=4 1402 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [1,1,0,0,0,0|2,0,0]=4 1403 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [1,1,0,0,0,0|2,0,0]=4 1404 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [1,1,0,0,0,0|2,0,0]=4 1405 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [1,1,0,0,0,0|2,0,0]=4 1406 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [1,1,0,0,0,0|2,0,0]=4 1407 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [1,1,0,0,0,0|2,0,0]=4 1408 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [1,1,0,0,0,0|2,0,0]=4 1409 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [1,1,0,0,0,0|2,0,0]=4 1410 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [1,1,0,0,0,0|2,0,0]=4 1411 B10R1.4 CSCc1ccccc1Br 62a_100000184730_200000210301 [1,1,0,0,0,0|2,0,0]=4 1412 B10R1.4 CSCc1ccccc1Br 62a_200000210301_100000184730 [1,1,0,0,0,0|2,0,0]=4 1413 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [1,1,0,0,0,0|2,0,0]=4 1414 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [1,1,0,0,0,0|2,0,0]=4 1415 B10R1.4 CSCc1ccccc1Cl 62a_100000187162_200000210301 [1,1,0,0,0,0|2,0,0]=4 1416 B10R1.4 CSCc1ccccc1Cl 62a_200000210301_100000187162 [1,1,0,0,0,0|2,0,0]=4 1417 B10R1.4 CSCc1ccccc1F 62a_100000211605_200000210301 [1,1,0,0,0,0|2,0,0]=4 1418 B10R1.4 CSCc1ccccc1F 62a_200000210301_100000211605 [1,1,0,0,0,0|2,0,0]=4 1419 B10R1.4 CSCc1ccccc1I 62a_100011216222_200000210301 [1,1,0,0,0,0|2,0,0]=4 1420 B10R1.4 CSCc1ccccc1I 62a_200000210301_100011216222 [1,1,0,0,0,0|2,0,0]=4 1421 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [1,1,0,0,0,0|2,0,0]=4 1422 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,1,0,0,0,0|2,0,0]=4 1423 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,1,0,0,0,0|2,0,0]=4 1424 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,1,0,0,0,0|2,0,0]=4 1425 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [1,1,0,0,0,0|2,0,0]=4 1426 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [1,1,0,0,0,0|2,0,0]=4 1427 B10R1.4 N#CCc1ccccc1O 271570a_203496583355_100000033512 [1,1,0,0,0,0|1,0,1]=4 1428 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [1,1,0,0,0,0|1,0,1]=4 1429 B10R1.4 NNCc1ccccc1O 271570a_203496583355_200016993956 [1,1,0,0,0,0|2,0,0]=4 1430 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [1,1,0,0,0,0|0,0,2]=4 1431 B10R1.4 [13CH3]NCc1ccccc1Br 2230a_100000689332_200025704644 [1,1,0,0,0,0|2,0,0]=4 1432 B10R1.4 [13CH3]NCc1ccccc1Br 34a_100000689332_200025704644 [1,1,0,0,0,0|2,0,0]=4 1433 B10R1.4 [13CH3]NCc1ccccc1Cl 2230a_100000174879_200025704644 [1,1,0,0,0,0|2,0,0]=4 1434 B10R1.4 [13CH3]NCc1ccccc1Cl 34a_100000174879_200025704644 [1,1,0,0,0,0|2,0,0]=4 1435 B10R1.4 [13CH3]NCc1ccccc1F 34a_100000174869_200025704644 [1,1,0,0,0,0|2,0,0]=4 1436 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [1,1,0,0,0,0|2,0,0]=4 1437 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [1,1,0,0,0,0|2,0,0]=4 1438 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [1,1,0,0,0,0|2,0,0]=4 1439 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [1,1,0,0,0,0|2,0,0]=4 1440 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [1,1,0,0,0,0|2,0,0]=4 1441 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [1,1,0,0,0,0|2,0,0]=4 1442 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [1,1,0,0,0,0|2,0,0]=4 1443 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [1,1,0,0,0,0|2,0,0]=4 1444 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [1,1,0,0,0,0|2,0,0]=4 1445 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [1,1,0,0,0,0|2,0,0]=4 1446 B10R1.4 [13CH3]SCc1ccccc1Br 62a_100000184730_200025704644 [1,1,0,0,0,0|2,0,0]=4 1447 B10R1.4 [13CH3]SCc1ccccc1Br 62a_200025704644_100000184730 [1,1,0,0,0,0|2,0,0]=4 1448 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_100000187162_200025704644 [1,1,0,0,0,0|2,0,0]=4 1449 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_200025704644_100000187162 [1,1,0,0,0,0|2,0,0]=4 1450 B10R1.4 [13CH3]SCc1ccccc1F 62a_100000211605_200025704644 [1,1,0,0,0,0|2,0,0]=4 1451 B10R1.4 [13CH3]SCc1ccccc1F 62a_200025704644_100000211605 [1,1,0,0,0,0|2,0,0]=4 1452 B10R1.4 [13CH3]SCc1ccccc1I 62a_100011216222_200025704644 [1,1,0,0,0,0|2,0,0]=4 1453 B10R1.4 [13CH3]SCc1ccccc1I 62a_200025704644_100011216222 [1,1,0,0,0,0|2,0,0]=4 1454 B10R1.10 C=CCc1cccc(c1)O 271570a_203496583355_100009816576 [1,1,0,0,0,0|1,0,0]=3 1455 B10R1.10 CC=Cc1cccc(c1)Br 271570a_100016259895_100000691529 [1,1,0,0,0,0|1,0,1]=4 1456 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [1,1,0,0,0,0|1,0,1]=4 1457 B10R1.10 CC=Cc1cccc(c1)Cl 271570a_100016259895_100000699651 [1,1,0,0,0,0|1,0,1]=4 1458 B10R1.10 CC=Cc1cccc(c1)F 271570a_100016259895_100000685547 [1,1,0,0,0,0|1,0,1]=4 1459 B10R1.10 CC=Cc1cccc(c1)N 271570a_100016259895_100000210019 [1,1,0,0,0,0|1,0,1]=4 1460 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [1,1,0,0,0,0|1,0,1]=4 1461 B10R1.10 CC=Cc1cccc(c1)[S] 271570a_100016259895_114929384022 [1,1,0,0,0,0|1,0,1]=4 1462 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [1,1,0,0,0,0|1,0,1]=4 1463 B10R1.10 CNCc1cccc(c1)Br 207a_100102657272_100000210085 [1,1,0,0,0,0|2,0,0]=4 1464 B10R1.10 CNCc1cccc(c1)Br 2230a_100000174977_200000210301 [1,1,0,0,0,0|2,0,0]=4 1465 B10R1.10 CNCc1cccc(c1)Br 2230a_106832991635_100000698116 [1,1,0,0,0,0|2,0,0]=4 1466 B10R1.10 CNCc1cccc(c1)Br 26a_100102657272_100000210342 [1,1,0,0,0,0|2,0,0]=4 1467 B10R1.10 CNCc1cccc(c1)Br 270004a_106832991635_100000210085 [1,1,0,0,0,0|2,0,0]=4 1468 B10R1.10 CNCc1cccc(c1)Br 34a_100000174977_200000210301 [1,1,0,0,0,0|2,0,0]=4 1469 B10R1.10 CNCc1cccc(c1)Br 34a_100102657272_100000698116 [1,1,0,0,0,0|2,0,0]=4 1470 B10R1.10 CNCc1cccc(c1)Br 7a_106832991635_100000211773 [1,1,0,0,0,0|2,0,0]=4 1471 B10R1.10 CNCc1cccc(c1)C 207a_100102657272_100000211157 [1,1,0,0,0,0|2,0,0]=4 1472 B10R1.10 CNCc1cccc(c1)C 2230a_100000185548_200000210301 [1,1,0,0,0,0|2,0,0]=4 1473 B10R1.10 CNCc1cccc(c1)C 2230a_106832991635_100000211840 [1,1,0,0,0,0|2,0,0]=4 1474 B10R1.10 CNCc1cccc(c1)C 270004a_106832991635_100000211157 [1,1,0,0,0,0|2,0,0]=4 1475 B10R1.10 CNCc1cccc(c1)C 34a_100000185548_200000210301 [1,1,0,0,0,0|2,0,0]=4 1476 B10R1.10 CNCc1cccc(c1)C 34a_100102657272_100000211840 [1,1,0,0,0,0|2,0,0]=4 1477 B10R1.10 CNCc1cccc(c1)C 7a_106832991635_100000211840 [1,1,0,0,0,0|2,0,0]=4 1478 B10R1.10 CNCc1cccc(c1)Cl 207a_100102657272_100000210801 [1,1,0,0,0,0|2,0,0]=4 1479 B10R1.10 CNCc1cccc(c1)Cl 2230a_100000174878_200000210301 [1,1,0,0,0,0|2,0,0]=4 1480 B10R1.10 CNCc1cccc(c1)Cl 2230a_106832991635_100000181238 [1,1,0,0,0,0|2,0,0]=4 1481 B10R1.10 CNCc1cccc(c1)Cl 270004a_106832991635_100000210801 [1,1,0,0,0,0|2,0,0]=4 1482 B10R1.10 CNCc1cccc(c1)Cl 34a_100000174878_200000210301 [1,1,0,0,0,0|2,0,0]=4 1483 B10R1.10 CNCc1cccc(c1)Cl 34a_100102657272_100000187163 [1,1,0,0,0,0|2,0,0]=4 1484 B10R1.10 CNCc1cccc(c1)Cl 7a_106832991635_100000187163 [1,1,0,0,0,0|2,0,0]=4 1485 B10R1.10 CNCc1cccc(c1)F 207a_100102657272_100000210812 [1,1,0,0,0,0|2,0,0]=4 1486 B10R1.10 CNCc1cccc(c1)F 2230a_100000174948_200000210301 [1,1,0,0,0,0|2,0,0]=4 1487 B10R1.10 CNCc1cccc(c1)F 2230a_106832991635_100000230114 [1,1,0,0,0,0|2,0,0]=4 1488 B10R1.10 CNCc1cccc(c1)F 270004a_106832991635_100000210812 [1,1,0,0,0,0|2,0,0]=4 1489 B10R1.10 CNCc1cccc(c1)F 34a_100000174948_200000210301 [1,1,0,0,0,0|2,0,0]=4 1490 B10R1.10 CNCc1cccc(c1)F 34a_100102657272_100000187166 [1,1,0,0,0,0|2,0,0]=4 1491 B10R1.10 CNCc1cccc(c1)F 7a_106832991635_100000230114 [1,1,0,0,0,0|2,0,0]=4 1492 B10R1.10 CNCc1cccc(c1)I 207a_100102657272_100000014684 [1,1,0,0,0,0|2,0,0]=4 1493 B10R1.10 CNCc1cccc(c1)I 2230a_100000106179_200000210301 [1,1,0,0,0,0|2,0,0]=4 1494 B10R1.10 CNCc1cccc(c1)I 2230a_106832991635_100011218688 [1,1,0,0,0,0|2,0,0]=4 1495 B10R1.10 CNCc1cccc(c1)I 270004a_106832991635_100000014684 [1,1,0,0,0,0|2,0,0]=4 1496 B10R1.10 CNCc1cccc(c1)I 34a_100000106179_200000210301 [1,1,0,0,0,0|2,0,0]=4 1497 B10R1.10 CNCc1cccc(c1)I 34a_100102657272_100011218688 [1,1,0,0,0,0|2,0,0]=4 1498 B10R1.10 CNCc1cccc(c1)I 7a_106832991635_100011218688 [1,1,0,0,0,0|2,0,0]=4 1499 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [1,1,0,0,0,0|2,0,0]=4 1500 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [1,1,0,0,0,0|2,0,0]=4 1501 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [1,1,0,0,0,0|2,0,0]=4 1502 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [1,1,0,0,0,0|2,0,0]=4 1503 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [1,1,0,0,0,0|2,0,0]=4 1504 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [1,1,0,0,0,0|2,0,0]=4 1505 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [1,1,0,0,0,0|2,0,0]=4 1506 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [1,1,0,0,0,0|2,0,0]=4 1507 B10R1.10 COCc1cccc(c1)Br 34a_100000687537_200000210301 [1,1,0,0,0,0|2,0,0]=4 1508 B10R1.10 COCc1cccc(c1)Br 34a_100138415774_100000698116 [1,1,0,0,0,0|2,0,0]=4 1509 B10R1.10 COCc1cccc(c1)Br 7a_100000687537_200000210301 [1,1,0,0,0,0|2,0,0]=4 1510 B10R1.10 COCc1cccc(c1)C 34a_100011217746_200000210301 [1,1,0,0,0,0|2,0,0]=4 1511 B10R1.10 COCc1cccc(c1)C 34a_100138415774_100000211840 [1,1,0,0,0,0|2,0,0]=4 1512 B10R1.10 COCc1cccc(c1)C 7a_100011217746_200000210301 [1,1,0,0,0,0|2,0,0]=4 1513 B10R1.10 COCc1cccc(c1)Cl 34a_100000241301_200000210301 [1,1,0,0,0,0|2,0,0]=4 1514 B10R1.10 COCc1cccc(c1)Cl 34a_100138415774_100000187163 [1,1,0,0,0,0|2,0,0]=4 1515 B10R1.10 COCc1cccc(c1)Cl 7a_100000241301_200000210301 [1,1,0,0,0,0|2,0,0]=4 1516 B10R1.10 COCc1cccc(c1)F 34a_100000210976_200000210301 [1,1,0,0,0,0|2,0,0]=4 1517 B10R1.10 COCc1cccc(c1)F 34a_100138415774_100000187166 [1,1,0,0,0,0|2,0,0]=4 1518 B10R1.10 COCc1cccc(c1)F 7a_100000210976_200000210301 [1,1,0,0,0,0|2,0,0]=4 1519 B10R1.10 COCc1cccc(c1)I 34a_100011215336_200000210301 [1,1,0,0,0,0|2,0,0]=4 1520 B10R1.10 COCc1cccc(c1)I 34a_100138415774_100011218688 [1,1,0,0,0,0|2,0,0]=4 1521 B10R1.10 COCc1cccc(c1)I 7a_100011215336_200000210301 [1,1,0,0,0,0|2,0,0]=4 1522 B10R1.10 COCc1cccc(c1)N 34a_100000211919_200000210301 [1,1,0,0,0,0|2,0,0]=4 1523 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [1,1,0,0,0,0|2,0,0]=4 1524 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [1,1,0,0,0,0|2,0,0]=4 1525 B10R1.10 CSCc1cccc(c1)Br 62a_100000211773_200000210301 [1,1,0,0,0,0|2,0,0]=4 1526 B10R1.10 CSCc1cccc(c1)Br 62a_200000210301_100000211773 [1,1,0,0,0,0|2,0,0]=4 1527 B10R1.10 CSCc1cccc(c1)C 62a_100000211840_200000210301 [1,1,0,0,0,0|2,0,0]=4 1528 B10R1.10 CSCc1cccc(c1)C 62a_200000210301_100000211840 [1,1,0,0,0,0|2,0,0]=4 1529 B10R1.10 CSCc1cccc(c1)Cl 62a_100000187163_200000210301 [1,1,0,0,0,0|2,0,0]=4 1530 B10R1.10 CSCc1cccc(c1)Cl 62a_200000210301_100000187163 [1,1,0,0,0,0|2,0,0]=4 1531 B10R1.10 CSCc1cccc(c1)F 62a_100000230114_200000210301 [1,1,0,0,0,0|2,0,0]=4 1532 B10R1.10 CSCc1cccc(c1)F 62a_200000210301_100000230114 [1,1,0,0,0,0|2,0,0]=4 1533 B10R1.10 CSCc1cccc(c1)I 62a_100011218688_200000210301 [1,1,0,0,0,0|2,0,0]=4 1534 B10R1.10 CSCc1cccc(c1)I 62a_200000210301_100011218688 [1,1,0,0,0,0|2,0,0]=4 1535 B10R1.10 CSCc1cccc(c1)O 62a_100011660834_200000210301 [1,1,0,0,0,0|2,0,0]=4 1536 B10R1.10 CSCc1cccc(c1)O 62a_200000210301_100011660834 [1,1,0,0,0,0|2,0,0]=4 1537 B10R1.10 Cc1cccc(c1)CN[13CH3] 2230a_100000185548_200025704644 [1,1,0,0,0,0|2,0,0]=4 1538 B10R1.10 Cc1cccc(c1)CN[13CH3] 34a_100000185548_200025704644 [1,1,0,0,0,0|2,0,0]=4 1539 B10R1.10 Cc1cccc(c1)CO[13CH3] 34a_100011217746_200025704644 [1,1,0,0,0,0|2,0,0]=4 1540 B10R1.10 Cc1cccc(c1)CO[13CH3] 7a_100011217746_200025704644 [1,1,0,0,0,0|2,0,0]=4 1541 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_100000211840_200025704644 [1,1,0,0,0,0|2,0,0]=4 1542 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_200025704644_100000211840 [1,1,0,0,0,0|2,0,0]=4 1543 B10R1.10 N#CCc1cccc(c1)O 271570a_203496583355_100000034040 [1,1,0,0,0,0|1,0,1]=4 1544 B10R1.10 NCCc1cccc(c1)O 271570a_203496583355_100011207229 [1,1,0,0,0,0|1,0,1]=4 1545 B10R1.10 NNCc1cccc(c1)O 271570a_203496583355_100000686200 [1,1,0,0,0,0|2,0,0]=4 1546 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [1,1,0,0,0,0|0,0,0]=2 1547 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [1,1,0,0,0,0|0,0,2]=4 1548 B10R1.10 [13CH3]NCc1cccc(c1)Br 2230a_100000174977_200025704644 [1,1,0,0,0,0|2,0,0]=4 1549 B10R1.10 [13CH3]NCc1cccc(c1)Br 34a_100000174977_200025704644 [1,1,0,0,0,0|2,0,0]=4 1550 B10R1.10 [13CH3]NCc1cccc(c1)Cl 2230a_100000174878_200025704644 [1,1,0,0,0,0|2,0,0]=4 1551 B10R1.10 [13CH3]NCc1cccc(c1)Cl 34a_100000174878_200025704644 [1,1,0,0,0,0|2,0,0]=4 1552 B10R1.10 [13CH3]NCc1cccc(c1)F 2230a_100000174948_200025704644 [1,1,0,0,0,0|2,0,0]=4 1553 B10R1.10 [13CH3]NCc1cccc(c1)F 34a_100000174948_200025704644 [1,1,0,0,0,0|2,0,0]=4 1554 B10R1.10 [13CH3]NCc1cccc(c1)I 2230a_100000106179_200025704644 [1,1,0,0,0,0|2,0,0]=4 1555 B10R1.10 [13CH3]NCc1cccc(c1)I 34a_100000106179_200025704644 [1,1,0,0,0,0|2,0,0]=4 1556 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [1,1,0,0,0,0|2,0,0]=4 1557 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [1,1,0,0,0,0|2,0,0]=4 1558 B10R1.10 [13CH3]OCc1cccc(c1)Br 34a_100000687537_200025704644 [1,1,0,0,0,0|2,0,0]=4 1559 B10R1.10 [13CH3]OCc1cccc(c1)Br 7a_100000687537_200025704644 [1,1,0,0,0,0|2,0,0]=4 1560 B10R1.10 [13CH3]OCc1cccc(c1)Cl 34a_100000241301_200025704644 [1,1,0,0,0,0|2,0,0]=4 1561 B10R1.10 [13CH3]OCc1cccc(c1)Cl 7a_100000241301_200025704644 [1,1,0,0,0,0|2,0,0]=4 1562 B10R1.10 [13CH3]OCc1cccc(c1)F 34a_100000210976_200025704644 [1,1,0,0,0,0|2,0,0]=4 1563 B10R1.10 [13CH3]OCc1cccc(c1)F 7a_100000210976_200025704644 [1,1,0,0,0,0|2,0,0]=4 1564 B10R1.10 [13CH3]OCc1cccc(c1)I 34a_100011215336_200025704644 [1,1,0,0,0,0|2,0,0]=4 1565 B10R1.10 [13CH3]OCc1cccc(c1)I 7a_100011215336_200025704644 [1,1,0,0,0,0|2,0,0]=4 1566 B10R1.10 [13CH3]OCc1cccc(c1)N 34a_100000211919_200025704644 [1,1,0,0,0,0|2,0,0]=4 1567 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_100000211773_200025704644 [1,1,0,0,0,0|2,0,0]=4 1568 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_200025704644_100000211773 [1,1,0,0,0,0|2,0,0]=4 1569 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_100000187163_200025704644 [1,1,0,0,0,0|2,0,0]=4 1570 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_200025704644_100000187163 [1,1,0,0,0,0|2,0,0]=4 1571 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_100000230114_200025704644 [1,1,0,0,0,0|2,0,0]=4 1572 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_200025704644_100000230114 [1,1,0,0,0,0|2,0,0]=4 1573 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_100011218688_200025704644 [1,1,0,0,0,0|2,0,0]=4 1574 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_200025704644_100011218688 [1,1,0,0,0,0|2,0,0]=4 1575 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_100011660834_200025704644 [1,1,0,0,0,0|2,0,0]=4 1576 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_200025704644_100011660834 [1,1,0,0,0,0|2,0,0]=4 1577 B10R1.17 C#CCNc1ccccc1 34a_100000106764_100000184674 [1,1,0,0,0,0|1,0,1]=4 1578 B10R1.17 C#CCOc1ccccc1 34a_100000210340_100000184674 [1,1,0,0,0,0|1,0,1]=4 1579 B10R1.17 C#CCOc1ccccc1 7a_100000210340_100000038162 [1,1,0,0,0,0|1,0,1]=4 1580 B10R1.17 C#CCSc1ccccc1 62a_100000038162_100000041952 [1,1,0,0,0,0|1,0,1]=4 1581 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [1,1,0,0,0,0|1,0,0]=3 1582 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [1,1,0,0,0,0|1,0,0]=3 1583 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [1,1,0,0,0,0|1,0,0]=3 1584 B10R1.17 C=CCOc1cccnc1 34a_100000210849_100015514636 [1,1,0,0,0,0|2,0,0]=4 1585 B10R1.17 C=CCOc1cccnc1 7a_100000210849_100015514636 [1,1,0,0,0,0|2,0,0]=4 1586 B10R1.17 C=CCOc1ccncc1 34a_100000212176_100015514636 [1,1,0,0,0,0|2,0,0]=4 1587 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [1,1,0,0,0,0|1,0,0]=3 1588 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [1,1,0,0,0,0|1,0,0]=3 1589 B10R1.17 C=CCSc1ccccn1 62a_100000210623_100011216584 [1,1,0,0,0,0|2,0,0]=4 1590 B10R1.17 C=CCSc1ccccn1 62a_100011216584_100000210623 [1,1,0,0,0,0|2,0,0]=4 1591 B10R1.17 C=CCSc1cccnc1 62a_100000210063_100000210623 [1,1,0,0,0,0|2,0,0]=4 1592 B10R1.17 C=CCSc1cccnc1 62a_100000210623_100000210063 [1,1,0,0,0,0|2,0,0]=4 1593 B10R1.17 C=CCSc1ccncc1 62a_100000210623_100000728582 [1,1,0,0,0,0|2,0,0]=4 1594 B10R1.17 C=CCSc1ccncc1 62a_100000728582_100000210623 [1,1,0,0,0,0|2,0,0]=4 1595 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [1,1,0,0,0,0|2,0,0]=4 1596 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [1,1,0,0,0,0|1,0,1]=4 1597 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [1,1,0,0,0,0|1,0,1]=4 1598 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [1,1,0,0,0,0|1,0,1]=4 1599 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [1,1,0,0,0,0|1,0,1]=4 1600 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [1,1,0,0,0,0|1,0,1]=4 1601 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [1,1,0,0,0,0|1,0,1]=4 1602 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [1,1,0,0,0,0|1,0,1]=4 1603 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [1,1,0,0,0,0|1,0,1]=4 1604 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [1,1,0,0,0,0|1,0,1]=4 1605 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [1,1,0,0,0,0|1,0,1]=4 1606 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [1,1,0,0,0,0|1,0,1]=4 1607 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [1,1,0,0,0,0|1,0,1]=4 1608 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [1,1,0,0,0,0|1,0,1]=4 1609 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [1,1,0,0,0,0|1,0,1]=4 1610 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [1,1,0,0,0,0|1,0,1]=4 1611 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [1,1,0,0,0,0|1,0,1]=4 1612 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [1,1,0,0,0,0|1,0,1]=4 1613 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [1,1,0,0,0,0|1,0,1]=4 1614 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [1,1,0,0,0,0|1,0,1]=4 1615 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [1,1,0,0,0,0|1,0,1]=4 1616 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [1,1,0,0,0,0|1,0,1]=4 1617 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [1,1,0,0,0,0|2,0,0]=4 1618 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [1,1,0,0,0,0|0,0,2]=4 1619 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [1,1,0,0,0,0|0,0,2]=4 1620 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [1,1,0,0,0,0|0,0,2]=4 1621 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [1,1,0,0,0,0|2,0,0]=4 1622 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [1,1,0,0,0,0|2,0,0]=4 1623 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [1,1,0,0,0,0|0,1,1]=4 1624 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [1,1,0,0,0,0|0,1,1]=4 1625 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [1,1,0,0,0,0|2,0,0]=4 1626 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [1,1,0,0,0,0|2,0,0]=4 1627 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [1,1,0,0,0,0|2,0,0]=4 1628 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [1,1,0,0,0,0|2,0,0]=4 1629 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [1,1,0,0,0,0|2,0,0]=4 1630 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [1,1,0,0,0,0|2,0,0]=4 1631 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [1,1,0,0,0,0|1,0,1]=4 1632 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [1,1,0,0,0,0|1,0,1]=4 1633 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [1,1,0,0,0,0|1,0,1]=4 1634 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [1,1,0,0,0,0|1,0,1]=4 1635 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [1,1,0,0,0,0|1,0,1]=4 1636 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [1,1,0,0,0,0|1,0,1]=4 1637 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [1,1,0,0,0,0|1,0,1]=4 1638 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [1,1,0,0,0,0|1,0,1]=4 1639 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [1,1,0,0,0,0|1,0,1]=4 1640 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [1,1,0,0,0,0|1,0,1]=4 1641 B10R1.17 N#CCOc1ccccc1 7a_100000210340_100011215382 [1,1,0,0,0,0|1,0,1]=4 1642 B10R1.17 N#CCSc1ccccc1 62a_100000719477_100011215382 [1,1,0,0,0,0|1,0,1]=4 1643 B10R1.17 N#CCSc1ccccc1 62a_100011215382_100000041952 [1,1,0,0,0,0|1,0,1]=4 1644 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [1,1,0,0,0,0|0,0,0]=2 1645 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [1,1,0,0,0,0|0,0,0]=2 1646 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [1,1,0,0,0,0|0,0,0]=2 1647 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [1,1,0,0,0,0|1,0,0]=3 1648 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [1,1,0,0,0,0|1,0,0]=3 1649 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [1,1,0,0,0,0|1,0,0]=3 1650 B10R1.17 O=CCOc1ccnnc1 34a_100015204005_200009817547 [1,1,0,0,0,0|2,0,0]=4 1651 B10R1.17 O=CCOc1cncnc1 7a_100000754086_200015260668 [1,1,0,0,0,0|2,0,0]=4 1652 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [1,1,0,0,0,0|0,0,0]=2 1653 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [1,1,0,0,0,0|0,0,0]=2 1654 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [1,1,0,0,0,0|1,0,0]=3 1655 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [1,1,0,0,0,0|1,0,0]=3 1656 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [1,1,0,0,0,0|1,0,0]=3 1657 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [1,1,0,0,0,0|1,0,0]=3 1658 B10R1.17 O=CCSc1cccnn1 62a_100016991348_200015260668 [1,1,0,0,0,0|2,0,0]=4 1659 B10R1.17 O=CCSc1cccnn1 62a_200015260668_100016991348 [1,1,0,0,0,0|2,0,0]=4 1660 B10R1.17 O=CCSc1ccncc1 62a_100000728582_200015260668 [1,1,0,0,0,0|1,0,0]=3 1661 B10R1.17 O=CCSc1ccncc1 62a_200015260668_100000728582 [1,1,0,0,0,0|1,0,0]=3 1662 B10R1.17 O=CCSc1ccncn1 62a_100000703185_200015260668 [1,1,0,0,0,0|2,0,0]=4 1663 B10R1.17 O=CCSc1ccncn1 62a_200015260668_100000703185 [1,1,0,0,0,0|2,0,0]=4 1664 B10R1.17 O=CCSc1ccnnc1 62a_100000732662_200015260668 [1,1,0,0,0,0|2,0,0]=4 1665 B10R1.17 O=CCSc1ccnnc1 62a_200015260668_100000732662 [1,1,0,0,0,0|2,0,0]=4 1666 B10R1.17 O=CCSc1cnccn1 62a_100000211759_200015260668 [1,1,0,0,0,0|2,0,0]=4 1667 B10R1.17 O=CCSc1cnccn1 62a_200015260668_100000211759 [1,1,0,0,0,0|2,0,0]=4 1668 B10R1.17 O=CCSc1cncnc1 62a_100011206942_200015260668 [1,1,0,0,0,0|2,0,0]=4 1669 B10R1.17 O=CCSc1cncnc1 62a_200015260668_100011206942 [1,1,0,0,0,0|2,0,0]=4 1670 B10R1.17 O=CCSc1ncccn1 62a_100000211032_200015260668 [1,1,0,0,0,0|2,0,0]=4 1671 B10R1.17 O=CCSc1ncccn1 62a_200015260668_100000211032 [1,1,0,0,0,0|2,0,0]=4 1672 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [1,1,0,0,0,0|0,0,2]=4 1673 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [1,1,0,0,0,0|0,0,2]=4 1674 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [1,1,0,0,0,0|0,0,2]=4 1675 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [1,1,0,0,0,0|0,0,2]=4 1676 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [1,1,0,0,0,0|0,0,2]=4 1677 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [1,1,0,0,0,0|1,0,1]=4 1678 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [1,1,0,0,0,0|1,0,1]=4 1679 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [1,1,0,0,0,0|0,0,2]=4 1680 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [1,1,0,0,0,0|0,0,2]=4 1681 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [1,1,0,0,0,0|0,1,1]=4 1682 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [1,1,0,0,0,0|0,1,1]=4 1683 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [1,1,0,0,0,0|2,0,0]=4 1684 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [1,1,0,0,0,0|2,0,0]=4 1685 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,1,0,0,0,0|1,0,1]=4 1686 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [1,1,0,0,0,0|1,0,0]=3 1687 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,1,0,0,0,0|0,0,0]=2 1688 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,1,0,0,0,0|1,0,0]=3 1689 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,1,0,0,0,0|1,0,0]=3 1690 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,1,0,0,0,0|1,0,0]=3 1691 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,1,0,0,0,0|1,0,0]=3 1692 B10R1.18 CC(=O)Cc1cccnn1 1458a_100000070787_100016990269 [1,1,0,0,0,0|2,0,0]=4 1693 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [1,1,0,0,0,0|1,0,0]=3 1694 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [1,1,0,0,0,0|2,0,0]=4 1695 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000070787_100015196519 [1,1,0,0,0,0|2,0,0]=4 1696 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000721575_200000210301 [1,1,0,0,0,0|2,0,0]=4 1697 B10R1.18 CC(=O)Cc1ncccn1 1458a_100000070787_100000703007 [1,1,0,0,0,0|2,0,0]=4 1698 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,1,0,0,0,0|1,0,0]=3 1699 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,1,0,0,0,0|1,0,0]=3 1700 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,1,0,0,0,0|1,0,0]=3 1701 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,1,0,0,0,0|1,0,0]=3 1702 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,1,0,0,0,0|2,0,0]=4 1703 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,1,0,0,0,0|2,0,0]=4 1704 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,1,0,0,0,0|2,0,0]=4 1705 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,1,0,0,0,0|2,0,0]=4 1706 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,1,0,0,0,0|2,0,0]=4 1707 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,1,0,0,0,0|2,0,0]=4 1708 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,1,0,0,0,0|2,0,0]=4 1709 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [1,1,0,0,0,0|1,0,0]=3 1710 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,1,0,0,0,0|1,0,0]=3 1711 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,1,0,0,0,0|1,0,0]=3 1712 B10R1.18 [13CH3]C(=O)Cc1cncnc1 1458a_100000721575_200025704644 [1,1,0,0,0,0|2,0,0]=4 1713 B10R1.23 CC(=O)C(C)n1cccc1 1458a_100000243804_200000210301 [0,1,0,0,1,0|1,0,0]=3 1714 B10R1.23 CC(=O)C(C)n1ccnc1 1458a_100000739688_200000210301 [0,1,0,0,1,0|2,0,0]=4 1715 B10R1.23 CC(C(=O)[13CH3])n1cccc1 1458a_100000243804_200025704644 [0,1,0,0,1,0|1,0,0]=3 1716 B10R1.23 CC(C(=O)[13CH3])n1ccnc1 1458a_100000739688_200025704644 [0,1,0,0,1,0|2,0,0]=4 1717 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000186898_100000210623 [0,1,0,0,0,1|2,0,0]=4 1718 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000196212_200000210301 [0,1,0,0,0,1|2,0,0]=4 1719 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000225617_100015291786 [0,1,0,0,0,1|2,0,0]=4 1720 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000186898_100000210623 [0,1,0,0,0,1|2,0,0]=4 1721 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000196212_200000210301 [0,1,0,0,0,1|2,0,0]=4 1722 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000225617_100000211182 [0,1,0,0,0,1|2,0,0]=4 1723 B12R1.32 C=CCN(C)Cc1ccccc1 270004a_100000225617_100015611070 [0,1,0,0,0,1|2,0,0]=4 1724 B12R1.32 C=CCN([13CH3])Cc1ccccc1 2230a_100000196212_200025704644 [0,1,0,0,0,1|2,0,0]=4 1725 B12R1.32 C=CCN([13CH3])Cc1ccccc1 269982a_100000196212_200025704644 [0,1,0,0,0,1|2,0,0]=4 1726 B12R1.32 CC(CC#N)Oc1ccccc1 7a_100000210340_100009813641 [0,1,0,0,0,1|1,0,1]=4 1727 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100000719477_100009813641 [0,1,0,0,0,1|1,0,1]=4 1728 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100009813641_100000041952 [0,1,0,0,0,1|1,0,1]=4 1729 B12R1.32 CC(CCO)Nc1ccccc1 34a_100000106764_100009893172 [0,1,0,0,0,1|0,0,2]=4 1730 B12R1.32 CC(CCO)Oc1ccccc1 34a_100000210340_100009893172 [0,1,0,0,0,1|0,0,2]=4 1731 B12R1.32 CC(CCO)Oc1ccccc1 7a_100000210340_100009893172 [0,1,0,0,0,1|0,0,2]=4 1732 B12R1.32 CC(CCO)Sc1ccccc1 62a_100000719477_100009893172 [0,1,0,0,0,1|0,0,2]=4 1733 B12R1.32 CC(CCO)Sc1ccccc1 62a_100009893172_100000041952 [0,1,0,0,0,1|0,0,2]=4 1734 B12R1.32 CC(CN[13CH3])Oc1ccccc1 2230a_100000755676_200025704644 [0,1,0,0,0,1|1,0,1]=4 1735 B12R1.32 CC(CN[13CH3])Oc1ccccc1 34a_100000755676_200025704644 [0,1,0,0,0,1|1,0,1]=4 1736 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [0,1,0,0,0,1|0,0,2]=4 1737 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [0,1,0,0,0,1|0,0,2]=4 1738 B12R1.32 CC(CO[13CH3])Oc1ccccc1 34a_200000036796_200025704644 [0,1,0,0,0,1|0,0,2]=4 1739 B12R1.32 CC(CO[13CH3])Oc1ccccc1 7a_200000036796_200025704644 [0,1,0,0,0,1|0,0,2]=4 1740 B12R1.32 CC(Cc1ccccc1)OCF 34a_100000748627_100015361967 [0,1,0,0,0,1|1,0,1]=4 1741 B12R1.32 CC(Cc1ccccc1)OCF 7a_100000748627_100015361967 [0,1,0,0,0,1|1,0,1]=4 1742 B12R1.32 CC(Cc1ccccc1)SCF 62a_100015361967_200011218536 [0,1,0,0,0,1|1,0,1]=4 1743 B12R1.32 CC(Cc1ccccc1)SCF 62a_200011218536_100015361967 [0,1,0,0,0,1|1,0,1]=4 1744 B12R1.32 CCCC(C)Nc1ccccc1 34a_100000106764_100000766640 [0,1,0,0,0,1|1,0,1]=4 1745 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [0,1,0,0,0,1|1,0,1]=4 1746 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [0,1,0,0,0,1|1,0,1]=4 1747 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000719477_100000766640 [0,1,0,0,0,1|1,0,1]=4 1748 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000766640_100000041952 [0,1,0,0,0,1|1,0,1]=4 1749 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [0,1,0,0,0,1|1,0,1]=4 1750 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [0,1,0,0,0,1|1,0,1]=4 1751 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [0,1,0,0,0,1|1,0,1]=4 1752 B12R1.32 CCSC(C)Cc1ccccc1 62a_100000210202_200011218536 [0,1,0,0,0,1|1,0,1]=4 1753 B12R1.32 CCSC(C)Cc1ccccc1 62a_200011218536_100000210202 [0,1,0,0,0,1|1,0,1]=4 1754 B12R1.32 CN(CC=O)Cc1ccccc1 2230a_100000186898_200015260668 [0,1,0,0,0,1|1,0,0]=3 1755 B12R1.32 CN(CC=O)Cc1ccccc1 269982a_100000186898_200015260668 [0,1,0,0,0,1|1,0,0]=3 1756 B12R1.32 CN(CC=O)Cc1ccccn1 2230a_100000207498_200015260668 [0,1,0,0,0,1|2,0,0]=4 1757 B12R1.32 CN(CC=O)Cc1ccccn1 269982a_100000207498_200015260668 [0,1,0,0,0,1|2,0,0]=4 1758 B12R1.32 CN(CC=O)Cc1cccnc1 2230a_100000184577_200015260668 [0,1,0,0,0,1|2,0,0]=4 1759 B12R1.32 CN(CC=O)Cc1cccnc1 269982a_100000184577_200015260668 [0,1,0,0,0,1|2,0,0]=4 1760 B12R1.32 CN(CC=O)Cc1ccncc1 2230a_100000187231_200015260668 [0,1,0,0,0,1|2,0,0]=4 1761 B12R1.32 CN(CC=O)Cc1ccncc1 269982a_100000187231_200015260668 [0,1,0,0,0,1|2,0,0]=4 1762 B12R1.32 CNCC(C)Oc1ccccc1 2230a_100000755676_200000210301 [0,1,0,0,0,1|1,0,1]=4 1763 B12R1.32 CNCC(C)Oc1ccccc1 34a_100000755676_200000210301 [0,1,0,0,0,1|1,0,1]=4 1764 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [0,1,0,0,0,1|0,0,2]=4 1765 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [0,1,0,0,0,1|0,0,2]=4 1766 B12R1.32 COCC(C)Nc1ccccc1 34a_100000106764_100000765312 [0,1,0,0,0,1|0,0,2]=4 1767 B12R1.32 COCC(C)Oc1ccccc1 34a_100000210340_100000765312 [0,1,0,0,0,1|0,0,2]=4 1768 B12R1.32 COCC(C)Oc1ccccc1 34a_200000036796_200000210301 [0,1,0,0,0,1|0,0,2]=4 1769 B12R1.32 COCC(C)Oc1ccccc1 7a_100000210340_100000765312 [0,1,0,0,0,1|0,0,2]=4 1770 B12R1.32 COCC(C)Oc1ccccc1 7a_200000036796_200000210301 [0,1,0,0,0,1|0,0,2]=4 1771 B12R1.32 COCC(C)Sc1ccccc1 62a_100000719477_100000765312 [0,1,0,0,0,1|0,0,2]=4 1772 B12R1.32 COCC(C)Sc1ccccc1 62a_100000765312_100000041952 [0,1,0,0,0,1|0,0,2]=4 1773 B12R1.34 C#CC(C)C(=O)c1ccccc1 1458a_100000185807_200000035995 [0,1,0,0,0,1|1,0,1]=4 1774 B12R1.34 C#CC(C)N(C)c1ccccc1 34a_100000210012_200000035995 [0,1,0,0,0,1|1,0,1]=4 1775 B12R1.34 C=CC(C)N(C)c1ccccc1 269982a_100000210012_100011215867 [0,1,0,0,0,1|1,0,0]=3 1776 B12R1.34 CC(C#N)C(=O)c1ccccc1 1458a_100000185807_100000703298 [0,1,0,0,0,1|1,0,1]=4 1777 B12R1.34 CC(C#N)N(C)c1ccccc1 2230a_100000210012_100000184139 [0,1,0,0,0,1|1,0,1]=4 1778 B12R1.34 CC(C#N)N(C)c1ccccc1 269982a_100000210012_100000703298 [0,1,0,0,0,1|1,0,1]=4 1779 B12R1.34 CC(C#N)N(C)c1ccccc1 34a_100000762819_200000210301 [0,1,0,0,0,1|1,0,1]=4 1780 B12R1.34 CC(C#N)N([13CH3])c1ccccc1 34a_100000762819_200025704644 [0,1,0,0,0,1|1,0,1]=4 1781 B12R1.34 CC(CO)N(C)c1ccccc1 2230a_100000210012_100012180447 [0,1,0,0,0,1|0,0,2]=4 1782 B12R1.34 CC(CO)N(C)c1ccccc1 34a_100000210012_100012180447 [0,1,0,0,0,1|0,0,2]=4 1783 B12R1.34 CC(S[13CH3])C(=O)c1ccccc1 62a_100000239700_200025704644 [0,1,0,0,0,1|2,0,0]=4 1784 B12R1.34 CC(S[13CH3])C(=O)c1ccccc1 62a_200025704644_100000239700 [0,1,0,0,0,1|2,0,0]=4 1785 B12R1.34 CCC(C)C(=O)c1ccccc1 1458a_100000185807_100000758301 [0,1,0,0,0,1|1,0,1]=4 1786 B12R1.34 CCC(C)N(C)c1ccccc1 2230a_100000210012_100000758301 [0,1,0,0,0,1|1,0,1]=4 1787 B12R1.34 CCC(C)N(C)c1ccccc1 269982a_100000210012_100000758301 [0,1,0,0,0,1|1,0,1]=4 1788 B12R1.34 CCC(C)N(C)c1ccccc1 34a_100000210012_100011215416 [0,1,0,0,0,1|1,0,1]=4 1789 B12R1.34 CNC(C)C(=O)c1ccccc1 2230a_106832991635_100000239700 [0,1,0,0,0,1|2,0,0]=4 1790 B12R1.34 CNC(C)C(=O)c1ccccc1 7a_106832991635_100000239700 [0,1,0,0,0,1|2,0,0]=4 1791 B12R1.34 COC(C)N(C)c1ccccc1 269982a_100000210012_100009879195 [0,1,0,0,0,1|2,0,0]=4 1792 B12R1.34 CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_200000210301 [0,1,0,0,0,1|2,0,0]=4 1793 B12R1.34 CSC(C)C(=O)c1ccccc1 62a_100000239700_200000210301 [0,1,0,0,0,1|2,0,0]=4 1794 B12R1.34 CSC(C)C(=O)c1ccccc1 62a_200000210301_100000239700 [0,1,0,0,0,1|2,0,0]=4 1795 B12R1.34 C[C@H](CO)N(C)c1ccccc1 269982a_100000210012_100016084084 [0,1,0,0,0,1|0,0,2]=4 1796 B12R1.34 C[C@H](O[13CH3])[C@@H](N)c1ccccc1 34a_100134616770_200025704644 [0,1,0,0,0,1|2,0,0]=4 1797 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,1,0,0,0,1|0,0,1]=3 1798 B12R1.43 C/C(=C\c1ccccn1)/C(=O)[13CH3] 1458a_100025712827_200025704644 [0,1,0,0,0,1|1,0,1]=4 1799 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [0,1,0,0,0,1|0,0,1]=3 1800 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [0,1,0,0,0,1|1,0,1]=4 1801 B12R1.43 CC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_200000210301 [0,1,0,0,0,1|1,0,1]=4 1802 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [0,1,0,0,0,1|1,0,1]=4 1803 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,1,0,0,0,1|1,0,1]=4 1804 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,1,0,0,0,1|0,0,0]=2 1805 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,1,0,0,0,1|0,0,0]=2 1806 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [0,1,0,0,0,1|1,0,0]=3 1807 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [0,1,0,0,0,1|0,0,0]=2 1808 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [0,1,0,0,0,1|0,0,0]=2 1809 B12R1.43 CC(=O)C(C)Oc1cccnc1 7a_100000210849_100000179758 [0,1,0,0,0,1|1,0,0]=3 1810 B12R1.43 CC(=O)C(C)Oc1cncnc1 7a_100000754086_100000179758 [0,1,0,0,0,1|2,0,0]=4 1811 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [0,1,0,0,0,1|0,0,0]=2 1812 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [0,1,0,0,0,1|0,0,0]=2 1813 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [0,1,0,0,0,1|0,0,0]=2 1814 B12R1.43 CC(=O)C(C)Sc1ccccn1 1458a_100000156770_200000210301 [0,1,0,0,0,1|1,0,0]=3 1815 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100009814033_100011216584 [0,1,0,0,0,1|1,0,0]=3 1816 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100011216584_100009814033 [0,1,0,0,0,1|1,0,0]=3 1817 B12R1.43 CC(=O)C(C)Sc1cccnc1 62a_100000210063_100009814033 [0,1,0,0,0,1|1,0,0]=3 1818 B12R1.43 CC(=O)C(C)Sc1cccnc1 62a_100009814033_100000210063 [0,1,0,0,0,1|1,0,0]=3 1819 B12R1.43 CC(=O)C(C)Sc1cccnn1 62a_100009814033_100016991348 [0,1,0,0,0,1|2,0,0]=4 1820 B12R1.43 CC(=O)C(C)Sc1cccnn1 62a_100016991348_100009814033 [0,1,0,0,0,1|2,0,0]=4 1821 B12R1.43 CC(=O)C(C)Sc1ccncc1 62a_100000728582_100009814033 [0,1,0,0,0,1|1,0,0]=3 1822 B12R1.43 CC(=O)C(C)Sc1ccncc1 62a_100009814033_100000728582 [0,1,0,0,0,1|1,0,0]=3 1823 B12R1.43 CC(=O)C(C)Sc1ccncn1 62a_100000703185_100009814033 [0,1,0,0,0,1|2,0,0]=4 1824 B12R1.43 CC(=O)C(C)Sc1ccncn1 62a_100009814033_100000703185 [0,1,0,0,0,1|2,0,0]=4 1825 B12R1.43 CC(=O)C(C)Sc1ccnnc1 62a_100000732662_100009814033 [0,1,0,0,0,1|2,0,0]=4 1826 B12R1.43 CC(=O)C(C)Sc1ccnnc1 62a_100009814033_100000732662 [0,1,0,0,0,1|2,0,0]=4 1827 B12R1.43 CC(=O)C(C)Sc1cnccn1 62a_100000211759_100009814033 [0,1,0,0,0,1|2,0,0]=4 1828 B12R1.43 CC(=O)C(C)Sc1cnccn1 62a_100009814033_100000211759 [0,1,0,0,0,1|2,0,0]=4 1829 B12R1.43 CC(=O)C(C)Sc1cncnc1 62a_100009814033_100011206942 [0,1,0,0,0,1|2,0,0]=4 1830 B12R1.43 CC(=O)C(C)Sc1cncnc1 62a_100011206942_100009814033 [0,1,0,0,0,1|2,0,0]=4 1831 B12R1.43 CC(=O)C(C)Sc1ncccn1 62a_100000211032_100009814033 [0,1,0,0,0,1|2,0,0]=4 1832 B12R1.43 CC(=O)C(C)Sc1ncccn1 62a_100009814033_100000211032 [0,1,0,0,0,1|2,0,0]=4 1833 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [0,1,0,0,0,1|1,0,0]=3 1834 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [0,1,0,0,0,1|1,0,0]=3 1835 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [0,1,0,0,0,1|1,0,0]=3 1836 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [0,1,0,0,0,1|1,0,0]=3 1837 B12R1.43 CC(=O)N(C)Cc1ccccn1 11a_100000207498_100015343762 [0,1,0,0,0,1|2,0,0]=4 1838 B12R1.43 CC(=O)N(C)Cc1ccccn1 240690a_100000207498_100015343762 [0,1,0,0,0,1|2,0,0]=4 1839 B12R1.43 CC(=O)N(C)Cc1ccccn1 527a_100000207498_100103153847 [0,1,0,0,0,1|2,0,0]=4 1840 B12R1.43 CC(=O)N(C)Cc1cccnc1 11a_100000184577_100015343762 [0,1,0,0,0,1|2,0,0]=4 1841 B12R1.43 CC(=O)N(C)Cc1cccnc1 240690a_100000184577_100015343762 [0,1,0,0,0,1|2,0,0]=4 1842 B12R1.43 CC(=O)N(C)Cc1cccnc1 527a_100000184577_100103153847 [0,1,0,0,0,1|2,0,0]=4 1843 B12R1.43 CC(=O)N(C)Cc1ccncc1 11a_100000187231_100015343762 [0,1,0,0,0,1|2,0,0]=4 1844 B12R1.43 CC(=O)N(C)Cc1ccncc1 240690a_100000187231_100015343762 [0,1,0,0,0,1|2,0,0]=4 1845 B12R1.43 CC(=O)N(C)Cc1ccncc1 527a_100000187231_100103153847 [0,1,0,0,0,1|2,0,0]=4 1846 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,1,0,0,0,1|1,0,0]=3 1847 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,1,0,0,0,1|0,0,0]=2 1848 B12R1.43 CC(Cc1ccccc1)N(C)C 269982a_100102631434_200011218536 [0,1,0,0,0,1|2,0,0]=4 1849 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [0,1,0,0,0,1|1,0,0]=3 1850 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [0,1,0,0,0,1|0,0,0]=2 1851 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [0,1,0,0,0,1|0,0,0]=2 1852 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [0,1,0,0,0,1|0,0,0]=2 1853 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [0,1,0,0,0,1|0,0,0]=2 1854 B12R1.43 CC(Oc1cccnc1)C(=O)N 34a_100000210849_100000702099 [0,1,0,0,0,1|1,0,0]=3 1855 B12R1.43 CC(Oc1cccnc1)C(=O)N 7a_100000210849_100000702099 [0,1,0,0,0,1|1,0,0]=3 1856 B12R1.43 CC(Oc1ccncc1)C(=O)N 34a_100000212176_100000702099 [0,1,0,0,0,1|1,0,0]=3 1857 B12R1.43 CC(Oc1ccnnc1)C(=O)N 34a_100015204005_100000702099 [0,1,0,0,0,1|2,0,0]=4 1858 B12R1.43 CC(Oc1cncnc1)C(=O)N 7a_100000754086_100000702099 [0,1,0,0,0,1|2,0,0]=4 1859 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [0,1,0,0,0,1|0,0,0]=2 1860 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [0,1,0,0,0,1|0,0,0]=2 1861 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [0,1,0,0,0,1|0,0,0]=2 1862 B12R1.43 CC(Sc1ccccn1)C(=O)N 62a_100000702099_100011216584 [0,1,0,0,0,1|1,0,0]=3 1863 B12R1.43 CC(Sc1ccccn1)C(=O)N 62a_100011216584_100000702099 [0,1,0,0,0,1|1,0,0]=3 1864 B12R1.43 CC(Sc1ccccn1)C(=O)[13CH3] 1458a_100000156770_200025704644 [0,1,0,0,0,1|1,0,0]=3 1865 B12R1.43 CC(Sc1cccnc1)C(=O)N 62a_100000210063_100000702099 [0,1,0,0,0,1|1,0,0]=3 1866 B12R1.43 CC(Sc1cccnc1)C(=O)N 62a_100000702099_100000210063 [0,1,0,0,0,1|1,0,0]=3 1867 B12R1.43 CC(Sc1cccnn1)C(=O)N 62a_100000702099_100016991348 [0,1,0,0,0,1|2,0,0]=4 1868 B12R1.43 CC(Sc1cccnn1)C(=O)N 62a_100016991348_100000702099 [0,1,0,0,0,1|2,0,0]=4 1869 B12R1.43 CC(Sc1ccncc1)C(=O)N 62a_100000702099_100000728582 [0,1,0,0,0,1|1,0,0]=3 1870 B12R1.43 CC(Sc1ccncc1)C(=O)N 62a_100000728582_100000702099 [0,1,0,0,0,1|1,0,0]=3 1871 B12R1.43 CC(Sc1ccncn1)C(=O)N 62a_100000702099_100000703185 [0,1,0,0,0,1|2,0,0]=4 1872 B12R1.43 CC(Sc1ccncn1)C(=O)N 62a_100000703185_100000702099 [0,1,0,0,0,1|2,0,0]=4 1873 B12R1.43 CC(Sc1ccnnc1)C(=O)N 62a_100000702099_100000732662 [0,1,0,0,0,1|2,0,0]=4 1874 B12R1.43 CC(Sc1ccnnc1)C(=O)N 62a_100000732662_100000702099 [0,1,0,0,0,1|2,0,0]=4 1875 B12R1.43 CC(Sc1cnccn1)C(=O)N 62a_100000211759_100000702099 [0,1,0,0,0,1|2,0,0]=4 1876 B12R1.43 CC(Sc1cnccn1)C(=O)N 62a_100000702099_100000211759 [0,1,0,0,0,1|2,0,0]=4 1877 B12R1.43 CC(Sc1cncnc1)C(=O)N 62a_100000702099_100011206942 [0,1,0,0,0,1|2,0,0]=4 1878 B12R1.43 CC(Sc1cncnc1)C(=O)N 62a_100011206942_100000702099 [0,1,0,0,0,1|2,0,0]=4 1879 B12R1.43 CC(Sc1ncccn1)C(=O)N 62a_100000211032_100000702099 [0,1,0,0,0,1|2,0,0]=4 1880 B12R1.43 CC(Sc1ncccn1)C(=O)N 62a_100000702099_100000211032 [0,1,0,0,0,1|2,0,0]=4 1881 B12R1.43 C[C@@H](Nc1cccnn1)C(=O)N 27a_100000119354_100016991348 [0,1,0,0,0,1|2,0,0]=4 1882 B12R1.43 C[C@@H](Nc1ccncn1)C(=O)N 27a_100000119354_100000703185 [0,1,0,0,0,1|2,0,0]=4 1883 B12R1.43 C[C@@H](Nc1cnccn1)C(=O)N 27a_100000119354_100000211759 [0,1,0,0,0,1|2,0,0]=4 1884 B12R1.43 C[C@@H](Nc1ncccn1)C(=O)N 27a_100000119354_100000211032 [0,1,0,0,0,1|2,0,0]=4 1885 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [0,1,0,0,0,1|1,0,1]=4 1886 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [0,1,0,0,0,1|1,0,0]=3 1887 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [0,1,0,0,0,1|1,0,0]=3 1888 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [0,1,0,0,0,1|1,0,0]=3 1889 B12R1.43 NC(=O)C(F)Oc1cccnc1 34a_100000210849_100009813875 [0,1,0,0,0,1|2,0,0]=4 1890 B12R1.43 NC(=O)C(F)Oc1cccnc1 7a_100000210849_100009813875 [0,1,0,0,0,1|2,0,0]=4 1891 B12R1.43 NC(=O)C(F)Oc1ccncc1 34a_100000212176_100009813875 [0,1,0,0,0,1|2,0,0]=4 1892 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [0,1,0,0,0,1|1,0,0]=3 1893 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [0,1,0,0,0,1|1,0,0]=3 1894 B12R1.43 NC(=O)C(F)Sc1ccccn1 62a_100009813875_100011216584 [0,1,0,0,0,1|2,0,0]=4 1895 B12R1.43 NC(=O)C(F)Sc1ccccn1 62a_100011216584_100009813875 [0,1,0,0,0,1|2,0,0]=4 1896 B12R1.43 NC(=O)C(F)Sc1cccnc1 62a_100000210063_100009813875 [0,1,0,0,0,1|2,0,0]=4 1897 B12R1.43 NC(=O)C(F)Sc1cccnc1 62a_100009813875_100000210063 [0,1,0,0,0,1|2,0,0]=4 1898 B12R1.43 NC(=O)C(F)Sc1ccncc1 62a_100000728582_100009813875 [0,1,0,0,0,1|2,0,0]=4 1899 B12R1.43 NC(=O)C(F)Sc1ccncc1 62a_100009813875_100000728582 [0,1,0,0,0,1|2,0,0]=4 1900 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [0,1,0,0,0,1|1,0,0]=3 1901 B12R1.43 O=C([O-])C(F)Oc1ccccc1 34a_100000210340_100020610796 [0,1,0,0,0,1|1,0,0]=3 1902 B12R1.43 O=C([O-])C(F)Oc1cccnc1 34a_100000210849_100020610796 [0,1,0,0,0,1|2,0,0]=4 1903 B12R1.43 O=C([O-])C(F)Oc1ccncc1 34a_100000212176_100020610796 [0,1,0,0,0,1|2,0,0]=4 1904 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100000719477_100020610796 [0,1,0,0,0,1|1,0,0]=3 1905 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100020610796_100000041952 [0,1,0,0,0,1|1,0,0]=3 1906 B12R1.43 O=C([O-])C(F)Sc1ccccn1 62a_100011216584_100020610796 [0,1,0,0,0,1|2,0,0]=4 1907 B12R1.43 O=C([O-])C(F)Sc1ccccn1 62a_100020610796_100011216584 [0,1,0,0,0,1|2,0,0]=4 1908 B12R1.43 O=C([O-])C(F)Sc1cccnc1 62a_100000210063_100020610796 [0,1,0,0,0,1|2,0,0]=4 1909 B12R1.43 O=C([O-])C(F)Sc1cccnc1 62a_100020610796_100000210063 [0,1,0,0,0,1|2,0,0]=4 1910 B12R1.43 O=C([O-])C(F)Sc1ccncc1 62a_100000728582_100020610796 [0,1,0,0,0,1|2,0,0]=4 1911 B12R1.43 O=C([O-])C(F)Sc1ccncc1 62a_100020610796_100000728582 [0,1,0,0,0,1|2,0,0]=4 1912 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [0,1,0,0,0,1|1,0,1]=4 1913 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [0,1,0,0,0,1|1,0,1]=4 1914 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,1,0,0,0,1|1,0,1]=4 1915 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,1,0,0,0,1|1,0,0]=3 1916 B12R1.49 C#CC(C)Nc1ccc(cc1)Br 34a_100000210018_200000035995 [0,1,0,0,0,1|1,0,1]=4 1917 B12R1.49 C#CC(C)Nc1ccc(cc1)C 34a_100000124888_200000035995 [0,1,0,0,0,1|1,0,1]=4 1918 B12R1.49 C#CC(C)Nc1ccc(cc1)Cl 34a_100000210052_200000035995 [0,1,0,0,0,1|1,0,1]=4 1919 B12R1.49 C#CC(C)Nc1ccc(cc1)F 34a_100000185862_200000035995 [0,1,0,0,0,1|1,0,1]=4 1920 B12R1.49 C#CC(C)Nc1ccc(cc1)I 34a_100000185761_200000035995 [0,1,0,0,0,1|1,0,1]=4 1921 B12R1.49 C#CC(C)Nc1ccc(cc1)O 34a_100000185829_200000035995 [0,1,0,0,0,1|1,0,1]=4 1922 B12R1.49 C#CC(C)Oc1ccc(cc1)Br 34a_100000185759_200000035995 [0,1,0,0,0,1|1,0,1]=4 1923 B12R1.49 C#CC(C)Oc1ccc(cc1)C 34a_100000210336_200000035995 [0,1,0,0,0,1|1,0,1]=4 1924 B12R1.49 C#CC(C)Oc1ccc(cc1)Cl 34a_100000210216_200000035995 [0,1,0,0,0,1|1,0,1]=4 1925 B12R1.49 C#CC(C)Oc1ccc(cc1)F 34a_100000210339_200000035995 [0,1,0,0,0,1|1,0,1]=4 1926 B12R1.49 C#CC(C)Oc1ccc(cc1)I 34a_100000212066_200000035995 [0,1,0,0,0,1|1,0,1]=4 1927 B12R1.49 C#CC(C)Oc1ccc(cc1)N 34a_100000185829_200000035995 [0,1,0,0,0,1|1,0,1]=4 1928 B12R1.49 C#CC(C)Sc1ccc(cc1)Br 62a_200000035995_100000752885 [0,1,0,0,0,1|1,0,1]=4 1929 B12R1.49 C#CC(C)Sc1ccc(cc1)C 62a_200000035995_100000186775 [0,1,0,0,0,1|1,0,1]=4 1930 B12R1.49 C#CC(C)Sc1ccc(cc1)Cl 62a_200000035995_100000755918 [0,1,0,0,0,1|1,0,1]=4 1931 B12R1.49 C#CC(C)Sc1ccc(cc1)F 62a_200000035995_100000211213 [0,1,0,0,0,1|1,0,1]=4 1932 B12R1.49 C#CC(C)Sc1ccc(cc1)N 62a_200000035995_100000185761 [0,1,0,0,0,1|1,0,1]=4 1933 B12R1.49 C#CC(C)Sc1ccc(cc1)O 62a_200000035995_100000185759 [0,1,0,0,0,1|1,0,1]=4 1934 B12R1.49 C=CC(C)Sc1cc[n+](cc1)[O-] 62a_100011215867_100000039755 [0,1,0,0,0,1|2,0,0]=4 1935 B12R1.49 C=CC(C)Sc1ccc(=O)[nH]c1 62a_100011215867_100000212171 [0,1,0,0,0,1|2,0,0]=4 1936 B12R1.49 C=CC(C)Sc1ccc(cc1)Br 62a_100011215867_100000752885 [0,1,0,0,0,1|1,0,0]=3 1937 B12R1.49 C=CC(C)Sc1ccc(cc1)C 62a_100011215867_100000186775 [0,1,0,0,0,1|1,0,0]=3 1938 B12R1.49 C=CC(C)Sc1ccc(cc1)Cl 62a_100011215867_100000755918 [0,1,0,0,0,1|1,0,0]=3 1939 B12R1.49 C=CC(C)Sc1ccc(cc1)F 62a_100011215867_100000211213 [0,1,0,0,0,1|1,0,0]=3 1940 B12R1.49 C=CC(C)Sc1ccc(cc1)N 62a_100011215867_100000185761 [0,1,0,0,0,1|1,0,0]=3 1941 B12R1.49 C=CC(C)Sc1ccc(cc1)O 62a_100011215867_100000185759 [0,1,0,0,0,1|1,0,0]=3 1942 B12R1.49 C=CC(C)Sc1ccc(cn1)Br 62a_100011215867_100000686858 [0,1,0,0,0,1|2,0,0]=4 1943 B12R1.49 C=CC(C)Sc1ccc(cn1)C 62a_100011215867_100000754016 [0,1,0,0,0,1|2,0,0]=4 1944 B12R1.49 C=CC(C)Sc1ccc(cn1)Cl 62a_100011215867_100011356976 [0,1,0,0,0,1|2,0,0]=4 1945 B12R1.49 C=CC(C)Sc1ccc(cn1)F 62a_100011215867_100000744514 [0,1,0,0,0,1|2,0,0]=4 1946 B12R1.49 C=CC(C)Sc1ccc(cn1)N 62a_100011215867_100000737798 [0,1,0,0,0,1|2,0,0]=4 1947 B12R1.49 C=CC(C)Sc1ccc(cn1)O 62a_100011215867_100000744096 [0,1,0,0,0,1|2,0,0]=4 1948 B12R1.49 C=CC(C)Sc1ccc(nc1)Br 62a_100011215867_100009814638 [0,1,0,0,0,1|2,0,0]=4 1949 B12R1.49 C=CC(C)Sc1ccc(nc1)C 62a_100011215867_100000751577 [0,1,0,0,0,1|2,0,0]=4 1950 B12R1.49 C=CC(C)Sc1ccc(nc1)Cl 62a_100011215867_100000034144 [0,1,0,0,0,1|2,0,0]=4 1951 B12R1.49 C=CC(C)Sc1ccc(nc1)F 62a_100011215867_100000042367 [0,1,0,0,0,1|2,0,0]=4 1952 B12R1.49 C=CC(C)Sc1ccc(nc1)N 62a_100011215867_100000187370 [0,1,0,0,0,1|2,0,0]=4 1953 B12R1.49 CC(C#N)Nc1ccc(cc1)Br 2230a_100000210018_100000184139 [0,1,0,0,0,1|1,0,1]=4 1954 B12R1.49 CC(C#N)Nc1ccc(cc1)Cl 2230a_100000210052_100000184139 [0,1,0,0,0,1|1,0,1]=4 1955 B12R1.49 CC(C#N)Oc1ccc(cc1)Br 7a_100000185759_100000703298 [0,1,0,0,0,1|1,0,1]=4 1956 B12R1.49 CC(C#N)Oc1ccc(cc1)Cl 7a_100000210216_100000703298 [0,1,0,0,0,1|1,0,1]=4 1957 B12R1.49 CC(C#N)Oc1ccc(cc1)I 7a_100000212066_100000703298 [0,1,0,0,0,1|1,0,1]=4 1958 B12R1.49 CC(C#N)Sc1ccc(cc1)Br 62a_100000703298_100000752885 [0,1,0,0,0,1|1,0,1]=4 1959 B12R1.49 CC(C#N)Sc1ccc(cc1)Br 62a_100000752885_100000703298 [0,1,0,0,0,1|1,0,1]=4 1960 B12R1.49 CC(C#N)Sc1ccc(cc1)Cl 62a_100000703298_100000755918 [0,1,0,0,0,1|1,0,1]=4 1961 B12R1.49 CC(C#N)Sc1ccc(cc1)Cl 62a_100000755918_100000703298 [0,1,0,0,0,1|1,0,1]=4 1962 B12R1.49 CC(C#N)Sc1ccc(cc1)F 62a_100000211213_100000703298 [0,1,0,0,0,1|1,0,1]=4 1963 B12R1.49 CC(C#N)Sc1ccc(cc1)F 62a_100000703298_100000211213 [0,1,0,0,0,1|1,0,1]=4 1964 B12R1.49 CC(C#N)Sc1ccc(cc1)N 62a_100000185761_100000703298 [0,1,0,0,0,1|1,0,1]=4 1965 B12R1.49 CC(C#N)Sc1ccc(cc1)N 62a_100000703298_100000185761 [0,1,0,0,0,1|1,0,1]=4 1966 B12R1.49 CC(C#N)Sc1ccc(cc1)O 62a_100000703298_100000185759 [0,1,0,0,0,1|1,0,1]=4 1967 B12R1.49 CC(CO)Nc1ccc(cc1)Br 2230a_100000210018_100012180447 [0,1,0,0,0,1|0,0,2]=4 1968 B12R1.49 CC(CO)Nc1ccc(cc1)Br 34a_100000210018_100012180447 [0,1,0,0,0,1|0,0,2]=4 1969 B12R1.49 CC(CO)Nc1ccc(cc1)Cl 2230a_100000210052_100012180447 [0,1,0,0,0,1|0,0,2]=4 1970 B12R1.49 CC(CO)Nc1ccc(cc1)Cl 34a_100000210052_100012180447 [0,1,0,0,0,1|0,0,2]=4 1971 B12R1.49 CC(CO)Nc1ccc(cc1)F 34a_100000185862_100012180447 [0,1,0,0,0,1|0,0,2]=4 1972 B12R1.49 CC(CO)Nc1ccc(cc1)I 34a_100000185761_100012180447 [0,1,0,0,0,1|0,0,2]=4 1973 B12R1.49 CC(CO)Nc1ccc(cc1)O 34a_100000185829_100012180447 [0,1,0,0,0,1|0,0,2]=4 1974 B12R1.49 CC(CO)Oc1ccc(cc1)Br 34a_100000185759_100012180447 [0,1,0,0,0,1|0,0,2]=4 1975 B12R1.49 CC(CO)Oc1ccc(cc1)Br 7a_100000185759_100012180447 [0,1,0,0,0,1|0,0,2]=4 1976 B12R1.49 CC(CO)Oc1ccc(cc1)Cl 34a_100000210216_100012180447 [0,1,0,0,0,1|0,0,2]=4 1977 B12R1.49 CC(CO)Oc1ccc(cc1)Cl 7a_100000210216_100012180447 [0,1,0,0,0,1|0,0,2]=4 1978 B12R1.49 CC(CO)Oc1ccc(cc1)F 34a_100000210339_100012180447 [0,1,0,0,0,1|0,0,2]=4 1979 B12R1.49 CC(CO)Oc1ccc(cc1)I 34a_100000212066_100012180447 [0,1,0,0,0,1|0,0,2]=4 1980 B12R1.49 CC(CO)Oc1ccc(cc1)I 7a_100000212066_100012180447 [0,1,0,0,0,1|0,0,2]=4 1981 B12R1.49 CC(CO)Oc1ccc(cc1)N 34a_100000185829_100012180447 [0,1,0,0,0,1|0,0,2]=4 1982 B12R1.49 CC(CO)Sc1ccc(cc1)Br 62a_100012180447_100000752885 [0,1,0,0,0,1|0,0,2]=4 1983 B12R1.49 CC(CO)Sc1ccc(cc1)Cl 62a_100012180447_100000755918 [0,1,0,0,0,1|0,0,2]=4 1984 B12R1.49 CC(CO)Sc1ccc(cc1)F 62a_100012180447_100000211213 [0,1,0,0,0,1|0,0,2]=4 1985 B12R1.49 CC(CO)Sc1ccc(cc1)N 62a_100012180447_100000185761 [0,1,0,0,0,1|0,0,2]=4 1986 B12R1.49 CC(CO)Sc1ccc(cc1)O 62a_100012180447_100000185759 [0,1,0,0,0,1|0,0,2]=4 1987 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 34a_100011351027_200025704644 [0,1,0,0,0,1|2,0,0]=4 1988 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 7a_100011351027_200025704644 [0,1,0,0,0,1|2,0,0]=4 1989 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 2230a_100102634573_200025704644 [0,1,0,0,0,1|2,0,0]=4 1990 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 34a_100102634573_200025704644 [0,1,0,0,0,1|2,0,0]=4 1991 B12R1.49 CCC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000758301 [0,1,0,0,0,1|1,0,1]=4 1992 B12R1.49 CCC(C)Nc1ccc(cc1)Br 34a_100000210018_100011215416 [0,1,0,0,0,1|1,0,1]=4 1993 B12R1.49 CCC(C)Nc1ccc(cc1)C 34a_100000124888_100011215416 [0,1,0,0,0,1|1,0,1]=4 1994 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000758301 [0,1,0,0,0,1|1,0,1]=4 1995 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 34a_100000210052_100011215416 [0,1,0,0,0,1|1,0,1]=4 1996 B12R1.49 CCC(C)Nc1ccc(cc1)F 34a_100000185862_100011215416 [0,1,0,0,0,1|1,0,1]=4 1997 B12R1.49 CCC(C)Nc1ccc(cc1)I 34a_100000185761_100011215416 [0,1,0,0,0,1|1,0,1]=4 1998 B12R1.49 CCC(C)Nc1ccc(cc1)O 34a_100000185829_100011215416 [0,1,0,0,0,1|1,0,1]=4 1999 B12R1.49 CCC(C)Oc1ccc(cc1)Br 34a_100000185759_100011215416 [0,1,0,0,0,1|1,0,1]=4 2000 B12R1.49 CCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000758301 [0,1,0,0,0,1|1,0,1]=4 2001 B12R1.49 CCC(C)Oc1ccc(cc1)C 34a_100000210336_100011215416 [0,1,0,0,0,1|1,0,1]=4 2002 B12R1.49 CCC(C)Oc1ccc(cc1)C 7a_100000210336_100000758301 [0,1,0,0,0,1|1,0,1]=4 2003 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100011215416 [0,1,0,0,0,1|1,0,1]=4 2004 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000758301 [0,1,0,0,0,1|1,0,1]=4 2005 B12R1.49 CCC(C)Oc1ccc(cc1)F 34a_100000210339_100011215416 [0,1,0,0,0,1|1,0,1]=4 2006 B12R1.49 CCC(C)Oc1ccc(cc1)I 34a_100000212066_100011215416 [0,1,0,0,0,1|1,0,1]=4 2007 B12R1.49 CCC(C)Oc1ccc(cc1)I 7a_100000212066_100000758301 [0,1,0,0,0,1|1,0,1]=4 2008 B12R1.49 CCC(C)Oc1ccc(cc1)N 34a_100000185829_100011215416 [0,1,0,0,0,1|1,0,1]=4 2009 B12R1.49 CCC(C)Sc1ccc(cc1)Br 62a_100000752885_100000758301 [0,1,0,0,0,1|1,0,1]=4 2010 B12R1.49 CCC(C)Sc1ccc(cc1)Br 62a_100000758301_100000752885 [0,1,0,0,0,1|1,0,1]=4 2011 B12R1.49 CCC(C)Sc1ccc(cc1)C 62a_100000186775_100000758301 [0,1,0,0,0,1|1,0,1]=4 2012 B12R1.49 CCC(C)Sc1ccc(cc1)C 62a_100000758301_100000186775 [0,1,0,0,0,1|1,0,1]=4 2013 B12R1.49 CCC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000758301 [0,1,0,0,0,1|1,0,1]=4 2014 B12R1.49 CCC(C)Sc1ccc(cc1)Cl 62a_100000758301_100000755918 [0,1,0,0,0,1|1,0,1]=4 2015 B12R1.49 CCC(C)Sc1ccc(cc1)F 62a_100000211213_100000758301 [0,1,0,0,0,1|1,0,1]=4 2016 B12R1.49 CCC(C)Sc1ccc(cc1)F 62a_100000758301_100000211213 [0,1,0,0,0,1|1,0,1]=4 2017 B12R1.49 CCC(C)Sc1ccc(cc1)N 62a_100000185761_100000758301 [0,1,0,0,0,1|1,0,1]=4 2018 B12R1.49 CCC(C)Sc1ccc(cc1)N 62a_100000758301_100000185761 [0,1,0,0,0,1|1,0,1]=4 2019 B12R1.49 CCC(C)Sc1ccc(cc1)O 62a_100000758301_100000185759 [0,1,0,0,0,1|1,0,1]=4 2020 B12R1.49 CNC(C)Cc1ccc(cc1)Br 270004a_106832991635_100000691760 [0,1,0,0,0,1|2,0,0]=4 2021 B12R1.49 CNC(C)Cc1ccc(cc1)C 270004a_106832991635_100000751045 [0,1,0,0,0,1|2,0,0]=4 2022 B12R1.49 CNC(C)Cc1ccc(cc1)Cl 270004a_106832991635_100000747806 [0,1,0,0,0,1|2,0,0]=4 2023 B12R1.49 CNC(C)Cc1ccc(cc1)F 270004a_106832991635_100000745281 [0,1,0,0,0,1|2,0,0]=4 2024 B12R1.49 CNC(C)Cc1ccc(cc1)O 2230a_100102634573_200000210301 [0,1,0,0,0,1|2,0,0]=4 2025 B12R1.49 CNC(C)Cc1ccc(cc1)O 270004a_106832991635_100011218180 [0,1,0,0,0,1|2,0,0]=4 2026 B12R1.49 CNC(C)Cc1ccc(cc1)O 34a_100102634573_200000210301 [0,1,0,0,0,1|2,0,0]=4 2027 B12R1.49 COC(C)Cc1ccc(cc1)F 34a_100011351027_200000210301 [0,1,0,0,0,1|2,0,0]=4 2028 B12R1.49 COC(C)Cc1ccc(cc1)F 7a_100011351027_200000210301 [0,1,0,0,0,1|2,0,0]=4 2029 B12R1.49 COC(C)Sc1ccc(cc1)Br 62a_100000752885_100009879195 [0,1,0,0,0,1|2,0,0]=4 2030 B12R1.49 COC(C)Sc1ccc(cc1)Br 62a_100009879195_100000752885 [0,1,0,0,0,1|2,0,0]=4 2031 B12R1.49 COC(C)Sc1ccc(cc1)C 62a_100000186775_100009879195 [0,1,0,0,0,1|2,0,0]=4 2032 B12R1.49 COC(C)Sc1ccc(cc1)C 62a_100009879195_100000186775 [0,1,0,0,0,1|2,0,0]=4 2033 B12R1.49 COC(C)Sc1ccc(cc1)Cl 62a_100000755918_100009879195 [0,1,0,0,0,1|2,0,0]=4 2034 B12R1.49 COC(C)Sc1ccc(cc1)Cl 62a_100009879195_100000755918 [0,1,0,0,0,1|2,0,0]=4 2035 B12R1.49 COC(C)Sc1ccc(cc1)F 62a_100000211213_100009879195 [0,1,0,0,0,1|2,0,0]=4 2036 B12R1.49 COC(C)Sc1ccc(cc1)F 62a_100009879195_100000211213 [0,1,0,0,0,1|2,0,0]=4 2037 B12R1.49 COC(C)Sc1ccc(cc1)N 62a_100000185761_100009879195 [0,1,0,0,0,1|2,0,0]=4 2038 B12R1.49 COC(C)Sc1ccc(cc1)N 62a_100009879195_100000185761 [0,1,0,0,0,1|2,0,0]=4 2039 B12R1.49 COC(C)Sc1ccc(cc1)O 62a_100009879195_100000185759 [0,1,0,0,0,1|2,0,0]=4 2040 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Br 62a_100000752885_100016084084 [0,1,0,0,0,1|0,0,2]=4 2041 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Br 62a_100016084084_100000752885 [0,1,0,0,0,1|0,0,2]=4 2042 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Cl 62a_100000755918_100016084084 [0,1,0,0,0,1|0,0,2]=4 2043 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Cl 62a_100016084084_100000755918 [0,1,0,0,0,1|0,0,2]=4 2044 B12R1.49 C[C@H](CO)Sc1ccc(cc1)F 62a_100000211213_100016084084 [0,1,0,0,0,1|0,0,2]=4 2045 B12R1.49 C[C@H](CO)Sc1ccc(cc1)F 62a_100016084084_100000211213 [0,1,0,0,0,1|0,0,2]=4 2046 B12R1.49 C[C@H](CO)Sc1ccc(cc1)N 62a_100000185761_100016084084 [0,1,0,0,0,1|0,0,2]=4 2047 B12R1.49 C[C@H](CO)Sc1ccc(cc1)N 62a_100016084084_100000185761 [0,1,0,0,0,1|0,0,2]=4 2048 B12R1.49 C[C@H](CO)Sc1ccc(cc1)O 62a_100016084084_100000185759 [0,1,0,0,0,1|0,0,2]=4 2049 B12R1.49 Cc1ccc(cc1)NC(C)CO 34a_100000124888_100012180447 [0,1,0,0,0,1|0,0,2]=4 2050 B12R1.49 Cc1ccc(cc1)OC(C)C#N 7a_100000210336_100000703298 [0,1,0,0,0,1|1,0,1]=4 2051 B12R1.49 Cc1ccc(cc1)OC(C)CO 34a_100000210336_100012180447 [0,1,0,0,0,1|0,0,2]=4 2052 B12R1.49 Cc1ccc(cc1)OC(C)CO 7a_100000210336_100012180447 [0,1,0,0,0,1|0,0,2]=4 2053 B12R1.49 Cc1ccc(cc1)SC(C)C#N 62a_100000186775_100000703298 [0,1,0,0,0,1|1,0,1]=4 2054 B12R1.49 Cc1ccc(cc1)SC(C)C#N 62a_100000703298_100000186775 [0,1,0,0,0,1|1,0,1]=4 2055 B12R1.49 Cc1ccc(cc1)SC(C)CO 62a_100012180447_100000186775 [0,1,0,0,0,1|0,0,2]=4 2056 B12R1.49 Cc1ccc(cc1)S[C@H](C)CO 62a_100000186775_100016084084 [0,1,0,0,0,1|0,0,2]=4 2057 B12R1.49 Cc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000186775 [0,1,0,0,0,1|0,0,2]=4 2058 B12R1.50 C#CC(C)Nc1cccc(c1)Br 34a_100000210019_200000035995 [0,1,0,0,0,1|1,0,1]=4 2059 B12R1.50 C#CC(C)Nc1cccc(c1)C 34a_100000188690_200000035995 [0,1,0,0,0,1|1,0,1]=4 2060 B12R1.50 C#CC(C)Nc1cccc(c1)Cl 34a_100000185859_200000035995 [0,1,0,0,0,1|1,0,1]=4 2061 B12R1.50 C#CC(C)Nc1cccc(c1)F 34a_100000210047_200000035995 [0,1,0,0,0,1|1,0,1]=4 2062 B12R1.50 C#CC(C)Nc1cccc(c1)I 34a_100000211102_200000035995 [0,1,0,0,0,1|1,0,1]=4 2063 B12R1.50 C#CC(C)Nc1cccc(c1)O 34a_100000210217_200000035995 [0,1,0,0,0,1|1,0,1]=4 2064 B12R1.50 C#CC(C)Oc1cccc(c1)Br 34a_100000210342_200000035995 [0,1,0,0,0,1|1,0,1]=4 2065 B12R1.50 C#CC(C)Oc1cccc(c1)C 34a_100000210337_200000035995 [0,1,0,0,0,1|1,0,1]=4 2066 B12R1.50 C#CC(C)Oc1cccc(c1)Cl 34a_100000210295_200000035995 [0,1,0,0,0,1|1,0,1]=4 2067 B12R1.50 C#CC(C)Oc1cccc(c1)F 34a_100000210426_200000035995 [0,1,0,0,0,1|1,0,1]=4 2068 B12R1.50 C#CC(C)Oc1cccc(c1)I 34a_100000211634_200000035995 [0,1,0,0,0,1|1,0,1]=4 2069 B12R1.50 C#CC(C)Oc1cccc(c1)N 34a_100000210217_200000035995 [0,1,0,0,0,1|1,0,1]=4 2070 B12R1.50 C#CC(C)Sc1cccc(c1)Br 62a_200000035995_100000691529 [0,1,0,0,0,1|1,0,1]=4 2071 B12R1.50 C#CC(C)Sc1cccc(c1)C 62a_200000035995_100011215228 [0,1,0,0,0,1|1,0,1]=4 2072 B12R1.50 C#CC(C)Sc1cccc(c1)Cl 62a_200000035995_100000699651 [0,1,0,0,0,1|1,0,1]=4 2073 B12R1.50 C#CC(C)Sc1cccc(c1)F 62a_200000035995_100000685547 [0,1,0,0,0,1|1,0,1]=4 2074 B12R1.50 C#CC(C)Sc1cccc(c1)N 62a_200000035995_100000210019 [0,1,0,0,0,1|1,0,1]=4 2075 B12R1.50 C#CC(C)Sc1cccc(c1)O 62a_200000035995_100000211634 [0,1,0,0,0,1|1,0,1]=4 2076 B12R1.50 C#CC(C)Sc1cccc(c1)[S] 62a_200000035995_114929384022 [0,1,0,0,0,1|1,0,1]=4 2077 B12R1.50 C=CC(C)Sc1cc(ccn1)C 62a_100011215867_100000750283 [0,1,0,0,0,1|2,0,0]=4 2078 B12R1.50 C=CC(C)Sc1cc(ccn1)Cl 62a_100011215867_100010167805 [0,1,0,0,0,1|2,0,0]=4 2079 B12R1.50 C=CC(C)Sc1cc(ccn1)F 62a_100011215867_100000764206 [0,1,0,0,0,1|2,0,0]=4 2080 B12R1.50 C=CC(C)Sc1cc(ccn1)N 62a_100011215867_100009814236 [0,1,0,0,0,1|2,0,0]=4 2081 B12R1.50 C=CC(C)Sc1cc(ccn1)O 62a_100011215867_100000762945 [0,1,0,0,0,1|2,0,0]=4 2082 B12R1.50 C=CC(C)Sc1cc[nH]c(=O)c1 62a_100011215867_100009816521 [0,1,0,0,0,1|2,0,0]=4 2083 B12R1.50 C=CC(C)Sc1ccc[n+](c1)C 62a_100011215867_100009996589 [0,1,0,0,0,1|2,0,0]=4 2084 B12R1.50 C=CC(C)Sc1ccc[n+](c1)[O-] 62a_100011215867_100009815978 [0,1,0,0,0,1|2,0,0]=4 2085 B12R1.50 C=CC(C)Sc1cccc(=O)[nH]1 62a_100011215867_100000752884 [0,1,0,0,0,1|2,0,0]=4 2086 B12R1.50 C=CC(C)Sc1cccc(c1)Br 62a_100011215867_100000691529 [0,1,0,0,0,1|1,0,0]=3 2087 B12R1.50 C=CC(C)Sc1cccc(c1)C 62a_100011215867_100011215228 [0,1,0,0,0,1|1,0,0]=3 2088 B12R1.50 C=CC(C)Sc1cccc(c1)Cl 62a_100011215867_100000699651 [0,1,0,0,0,1|1,0,0]=3 2089 B12R1.50 C=CC(C)Sc1cccc(c1)F 62a_100011215867_100000685547 [0,1,0,0,0,1|1,0,0]=3 2090 B12R1.50 C=CC(C)Sc1cccc(c1)N 62a_100011215867_100000210019 [0,1,0,0,0,1|1,0,0]=3 2091 B12R1.50 C=CC(C)Sc1cccc(c1)O 62a_100011215867_100000211634 [0,1,0,0,0,1|1,0,0]=3 2092 B12R1.50 C=CC(C)Sc1cccc(c1)[S] 62a_100011215867_114929384022 [0,1,0,0,0,1|1,0,0]=3 2093 B12R1.50 C=CC(C)Sc1cccc(n1)Br 62a_100011215867_100000684672 [0,1,0,0,0,1|2,0,0]=4 2094 B12R1.50 C=CC(C)Sc1cccc(n1)C 62a_100011215867_100000742759 [0,1,0,0,0,1|2,0,0]=4 2095 B12R1.50 C=CC(C)Sc1cccc(n1)Cl 62a_100011215867_100000051397 [0,1,0,0,0,1|2,0,0]=4 2096 B12R1.50 C=CC(C)Sc1cccc(n1)F 62a_100011215867_100009815982 [0,1,0,0,0,1|2,0,0]=4 2097 B12R1.50 C=CC(C)Sc1cccc(n1)N 62a_100011215867_100000740741 [0,1,0,0,0,1|2,0,0]=4 2098 B12R1.50 C=CC(C)Sc1ccnc(c1)Br 62a_100011215867_100009814637 [0,1,0,0,0,1|2,0,0]=4 2099 B12R1.50 C=CC(C)Sc1ccnc(c1)C 62a_100011215867_100000758586 [0,1,0,0,0,1|2,0,0]=4 2100 B12R1.50 C=CC(C)Sc1ccnc(c1)Cl 62a_100011215867_100000035001 [0,1,0,0,0,1|2,0,0]=4 2101 B12R1.50 C=CC(C)Sc1ccnc(c1)F 62a_100011215867_100009816116 [0,1,0,0,0,1|2,0,0]=4 2102 B12R1.50 C=CC(C)Sc1ccnc(c1)N 62a_100011215867_100000049665 [0,1,0,0,0,1|2,0,0]=4 2103 B12R1.50 C=CC(C)Sc1cncc(c1)Br 62a_100011215867_100000728054 [0,1,0,0,0,1|2,0,0]=4 2104 B12R1.50 C=CC(C)Sc1cncc(c1)C 62a_100011215867_100000760492 [0,1,0,0,0,1|2,0,0]=4 2105 B12R1.50 C=CC(C)Sc1cncc(c1)Cl 62a_100011215867_100000049639 [0,1,0,0,0,1|2,0,0]=4 2106 B12R1.50 C=CC(C)Sc1cncc(c1)F 62a_100011215867_100000744099 [0,1,0,0,0,1|2,0,0]=4 2107 B12R1.50 C=CC(C)Sc1cncc(c1)N 62a_100011215867_100000687067 [0,1,0,0,0,1|2,0,0]=4 2108 B12R1.50 C=CC(C)Sc1cncc(c1)O 62a_100011215867_100000754920 [0,1,0,0,0,1|2,0,0]=4 2109 B12R1.50 CC(C#N)Oc1cccc(c1)Br 7a_100000210342_100000703298 [0,1,0,0,0,1|1,0,1]=4 2110 B12R1.50 CC(C#N)Oc1cccc(c1)Cl 7a_100000210295_100000703298 [0,1,0,0,0,1|1,0,1]=4 2111 B12R1.50 CC(C#N)Oc1cccc(c1)F 7a_100000210426_100000703298 [0,1,0,0,0,1|1,0,1]=4 2112 B12R1.50 CC(C#N)Oc1cccc(c1)I 7a_100000211634_100000703298 [0,1,0,0,0,1|1,0,1]=4 2113 B12R1.50 CC(C#N)Sc1cccc(c1)Br 62a_100000691529_100000703298 [0,1,0,0,0,1|1,0,1]=4 2114 B12R1.50 CC(C#N)Sc1cccc(c1)Br 62a_100000703298_100000691529 [0,1,0,0,0,1|1,0,1]=4 2115 B12R1.50 CC(C#N)Sc1cccc(c1)Cl 62a_100000699651_100000703298 [0,1,0,0,0,1|1,0,1]=4 2116 B12R1.50 CC(C#N)Sc1cccc(c1)Cl 62a_100000703298_100000699651 [0,1,0,0,0,1|1,0,1]=4 2117 B12R1.50 CC(C#N)Sc1cccc(c1)F 62a_100000685547_100000703298 [0,1,0,0,0,1|1,0,1]=4 2118 B12R1.50 CC(C#N)Sc1cccc(c1)F 62a_100000703298_100000685547 [0,1,0,0,0,1|1,0,1]=4 2119 B12R1.50 CC(C#N)Sc1cccc(c1)N 62a_100000210019_100000703298 [0,1,0,0,0,1|1,0,1]=4 2120 B12R1.50 CC(C#N)Sc1cccc(c1)N 62a_100000703298_100000210019 [0,1,0,0,0,1|1,0,1]=4 2121 B12R1.50 CC(C#N)Sc1cccc(c1)O 62a_100000703298_100000211634 [0,1,0,0,0,1|1,0,1]=4 2122 B12R1.50 CC(C#N)Sc1cccc(c1)[S] 62a_100000703298_114929384022 [0,1,0,0,0,1|1,0,1]=4 2123 B12R1.50 CC(C#N)Sc1cccc(c1)[S] 62a_114929384022_100000703298 [0,1,0,0,0,1|1,0,1]=4 2124 B12R1.50 CC(CO)Nc1cccc(c1)Br 34a_100000210019_100012180447 [0,1,0,0,0,1|0,0,2]=4 2125 B12R1.50 CC(CO)Nc1cccc(c1)Cl 34a_100000185859_100012180447 [0,1,0,0,0,1|0,0,2]=4 2126 B12R1.50 CC(CO)Nc1cccc(c1)F 34a_100000210047_100012180447 [0,1,0,0,0,1|0,0,2]=4 2127 B12R1.50 CC(CO)Nc1cccc(c1)I 34a_100000211102_100012180447 [0,1,0,0,0,1|0,0,2]=4 2128 B12R1.50 CC(CO)Nc1cccc(c1)O 34a_100000210217_100012180447 [0,1,0,0,0,1|0,0,2]=4 2129 B12R1.50 CC(CO)Oc1cccc(c1)Br 34a_100000210342_100012180447 [0,1,0,0,0,1|0,0,2]=4 2130 B12R1.50 CC(CO)Oc1cccc(c1)Br 7a_100000210342_100012180447 [0,1,0,0,0,1|0,0,2]=4 2131 B12R1.50 CC(CO)Oc1cccc(c1)Cl 34a_100000210295_100012180447 [0,1,0,0,0,1|0,0,2]=4 2132 B12R1.50 CC(CO)Oc1cccc(c1)Cl 7a_100000210295_100012180447 [0,1,0,0,0,1|0,0,2]=4 2133 B12R1.50 CC(CO)Oc1cccc(c1)F 34a_100000210426_100012180447 [0,1,0,0,0,1|0,0,2]=4 2134 B12R1.50 CC(CO)Oc1cccc(c1)F 7a_100000210426_100012180447 [0,1,0,0,0,1|0,0,2]=4 2135 B12R1.50 CC(CO)Oc1cccc(c1)I 34a_100000211634_100012180447 [0,1,0,0,0,1|0,0,2]=4 2136 B12R1.50 CC(CO)Oc1cccc(c1)I 7a_100000211634_100012180447 [0,1,0,0,0,1|0,0,2]=4 2137 B12R1.50 CC(CO)Oc1cccc(c1)N 34a_100000210217_100012180447 [0,1,0,0,0,1|0,0,2]=4 2138 B12R1.50 CC(CO)Sc1cccc(c1)Br 62a_100012180447_100000691529 [0,1,0,0,0,1|0,0,2]=4 2139 B12R1.50 CC(CO)Sc1cccc(c1)Cl 62a_100012180447_100000699651 [0,1,0,0,0,1|0,0,2]=4 2140 B12R1.50 CC(CO)Sc1cccc(c1)F 62a_100012180447_100000685547 [0,1,0,0,0,1|0,0,2]=4 2141 B12R1.50 CC(CO)Sc1cccc(c1)N 62a_100012180447_100000210019 [0,1,0,0,0,1|0,0,2]=4 2142 B12R1.50 CC(CO)Sc1cccc(c1)O 62a_100012180447_100000211634 [0,1,0,0,0,1|0,0,2]=4 2143 B12R1.50 CC(CO)Sc1cccc(c1)[S] 62a_100012180447_114929384022 [0,1,0,0,0,1|0,0,2]=4 2144 B12R1.50 CCC(C)Nc1cccc(c1)Br 34a_100000210019_100011215416 [0,1,0,0,0,1|1,0,1]=4 2145 B12R1.50 CCC(C)Nc1cccc(c1)C 2230a_100000188690_100000758301 [0,1,0,0,0,1|1,0,1]=4 2146 B12R1.50 CCC(C)Nc1cccc(c1)C 34a_100000188690_100011215416 [0,1,0,0,0,1|1,0,1]=4 2147 B12R1.50 CCC(C)Nc1cccc(c1)Cl 34a_100000185859_100011215416 [0,1,0,0,0,1|1,0,1]=4 2148 B12R1.50 CCC(C)Nc1cccc(c1)F 34a_100000210047_100011215416 [0,1,0,0,0,1|1,0,1]=4 2149 B12R1.50 CCC(C)Nc1cccc(c1)I 34a_100000211102_100011215416 [0,1,0,0,0,1|1,0,1]=4 2150 B12R1.50 CCC(C)Nc1cccc(c1)O 34a_100000210217_100011215416 [0,1,0,0,0,1|1,0,1]=4 2151 B12R1.50 CCC(C)Oc1cccc(c1)Br 34a_100000210342_100011215416 [0,1,0,0,0,1|1,0,1]=4 2152 B12R1.50 CCC(C)Oc1cccc(c1)Br 7a_100000210342_100000758301 [0,1,0,0,0,1|1,0,1]=4 2153 B12R1.50 CCC(C)Oc1cccc(c1)C 34a_100000210337_100011215416 [0,1,0,0,0,1|1,0,1]=4 2154 B12R1.50 CCC(C)Oc1cccc(c1)C 7a_100000210337_100000758301 [0,1,0,0,0,1|1,0,1]=4 2155 B12R1.50 CCC(C)Oc1cccc(c1)Cl 34a_100000210295_100011215416 [0,1,0,0,0,1|1,0,1]=4 2156 B12R1.50 CCC(C)Oc1cccc(c1)Cl 7a_100000210295_100000758301 [0,1,0,0,0,1|1,0,1]=4 2157 B12R1.50 CCC(C)Oc1cccc(c1)F 34a_100000210426_100011215416 [0,1,0,0,0,1|1,0,1]=4 2158 B12R1.50 CCC(C)Oc1cccc(c1)F 7a_100000210426_100000758301 [0,1,0,0,0,1|1,0,1]=4 2159 B12R1.50 CCC(C)Oc1cccc(c1)I 34a_100000211634_100011215416 [0,1,0,0,0,1|1,0,1]=4 2160 B12R1.50 CCC(C)Oc1cccc(c1)I 7a_100000211634_100000758301 [0,1,0,0,0,1|1,0,1]=4 2161 B12R1.50 CCC(C)Oc1cccc(c1)N 34a_100000210217_100011215416 [0,1,0,0,0,1|1,0,1]=4 2162 B12R1.50 CCC(C)Oc1cccc(c1)O 271570a_203496583355_200011236628 [0,1,0,0,0,1|1,0,1]=4 2163 B12R1.50 CCC(C)Sc1cccc(c1)Br 62a_100000691529_100000758301 [0,1,0,0,0,1|1,0,1]=4 2164 B12R1.50 CCC(C)Sc1cccc(c1)Br 62a_100000758301_100000691529 [0,1,0,0,0,1|1,0,1]=4 2165 B12R1.50 CCC(C)Sc1cccc(c1)C 62a_100000758301_100011215228 [0,1,0,0,0,1|1,0,1]=4 2166 B12R1.50 CCC(C)Sc1cccc(c1)C 62a_100011215228_100000758301 [0,1,0,0,0,1|1,0,1]=4 2167 B12R1.50 CCC(C)Sc1cccc(c1)Cl 62a_100000699651_100000758301 [0,1,0,0,0,1|1,0,1]=4 2168 B12R1.50 CCC(C)Sc1cccc(c1)Cl 62a_100000758301_100000699651 [0,1,0,0,0,1|1,0,1]=4 2169 B12R1.50 CCC(C)Sc1cccc(c1)F 62a_100000685547_100000758301 [0,1,0,0,0,1|1,0,1]=4 2170 B12R1.50 CCC(C)Sc1cccc(c1)F 62a_100000758301_100000685547 [0,1,0,0,0,1|1,0,1]=4 2171 B12R1.50 CCC(C)Sc1cccc(c1)N 62a_100000210019_100000758301 [0,1,0,0,0,1|1,0,1]=4 2172 B12R1.50 CCC(C)Sc1cccc(c1)N 62a_100000758301_100000210019 [0,1,0,0,0,1|1,0,1]=4 2173 B12R1.50 CCC(C)Sc1cccc(c1)O 62a_100000758301_100000211634 [0,1,0,0,0,1|1,0,1]=4 2174 B12R1.50 CCC(C)Sc1cccc(c1)[S] 62a_100000758301_114929384022 [0,1,0,0,0,1|1,0,1]=4 2175 B12R1.50 CCC(C)Sc1cccc(c1)[S] 62a_114929384022_100000758301 [0,1,0,0,0,1|1,0,1]=4 2176 B12R1.50 CNC(C)Cc1cccc(c1)Br 270004a_106832991635_100000689217 [0,1,0,0,0,1|2,0,0]=4 2177 B12R1.50 CNC(C)Cc1cccc(c1)Cl 270004a_106832991635_100000727212 [0,1,0,0,0,1|2,0,0]=4 2178 B12R1.50 CNC(C)Cc1cccc(c1)F 270004a_106832991635_100000687711 [0,1,0,0,0,1|2,0,0]=4 2179 B12R1.50 COC(C)Sc1cccc(c1)Br 62a_100000691529_100009879195 [0,1,0,0,0,1|2,0,0]=4 2180 B12R1.50 COC(C)Sc1cccc(c1)Br 62a_100009879195_100000691529 [0,1,0,0,0,1|2,0,0]=4 2181 B12R1.50 COC(C)Sc1cccc(c1)C 62a_100009879195_100011215228 [0,1,0,0,0,1|2,0,0]=4 2182 B12R1.50 COC(C)Sc1cccc(c1)C 62a_100011215228_100009879195 [0,1,0,0,0,1|2,0,0]=4 2183 B12R1.50 COC(C)Sc1cccc(c1)Cl 62a_100000699651_100009879195 [0,1,0,0,0,1|2,0,0]=4 2184 B12R1.50 COC(C)Sc1cccc(c1)Cl 62a_100009879195_100000699651 [0,1,0,0,0,1|2,0,0]=4 2185 B12R1.50 COC(C)Sc1cccc(c1)F 62a_100000685547_100009879195 [0,1,0,0,0,1|2,0,0]=4 2186 B12R1.50 COC(C)Sc1cccc(c1)F 62a_100009879195_100000685547 [0,1,0,0,0,1|2,0,0]=4 2187 B12R1.50 COC(C)Sc1cccc(c1)N 62a_100000210019_100009879195 [0,1,0,0,0,1|2,0,0]=4 2188 B12R1.50 COC(C)Sc1cccc(c1)N 62a_100009879195_100000210019 [0,1,0,0,0,1|2,0,0]=4 2189 B12R1.50 COC(C)Sc1cccc(c1)O 62a_100009879195_100000211634 [0,1,0,0,0,1|2,0,0]=4 2190 B12R1.50 COC(C)Sc1cccc(c1)[S] 62a_100009879195_114929384022 [0,1,0,0,0,1|2,0,0]=4 2191 B12R1.50 COC(C)Sc1cccc(c1)[S] 62a_114929384022_100009879195 [0,1,0,0,0,1|2,0,0]=4 2192 B12R1.50 C[C@H](CO)Sc1cccc(c1)Br 62a_100000691529_100016084084 [0,1,0,0,0,1|0,0,2]=4 2193 B12R1.50 C[C@H](CO)Sc1cccc(c1)Br 62a_100016084084_100000691529 [0,1,0,0,0,1|0,0,2]=4 2194 B12R1.50 C[C@H](CO)Sc1cccc(c1)Cl 62a_100000699651_100016084084 [0,1,0,0,0,1|0,0,2]=4 2195 B12R1.50 C[C@H](CO)Sc1cccc(c1)Cl 62a_100016084084_100000699651 [0,1,0,0,0,1|0,0,2]=4 2196 B12R1.50 C[C@H](CO)Sc1cccc(c1)F 62a_100000685547_100016084084 [0,1,0,0,0,1|0,0,2]=4 2197 B12R1.50 C[C@H](CO)Sc1cccc(c1)F 62a_100016084084_100000685547 [0,1,0,0,0,1|0,0,2]=4 2198 B12R1.50 C[C@H](CO)Sc1cccc(c1)N 62a_100000210019_100016084084 [0,1,0,0,0,1|0,0,2]=4 2199 B12R1.50 C[C@H](CO)Sc1cccc(c1)N 62a_100016084084_100000210019 [0,1,0,0,0,1|0,0,2]=4 2200 B12R1.50 C[C@H](CO)Sc1cccc(c1)O 62a_100016084084_100000211634 [0,1,0,0,0,1|0,0,2]=4 2201 B12R1.50 C[C@H](CO)Sc1cccc(c1)[S] 62a_100016084084_114929384022 [0,1,0,0,0,1|0,0,2]=4 2202 B12R1.50 C[C@H](CO)Sc1cccc(c1)[S] 62a_114929384022_100016084084 [0,1,0,0,0,1|0,0,2]=4 2203 B12R1.50 Cc1cccc(c1)NC(C)C#N 2230a_100000188690_100000184139 [0,1,0,0,0,1|1,0,1]=4 2204 B12R1.50 Cc1cccc(c1)NC(C)CO 2230a_100000188690_100012180447 [0,1,0,0,0,1|0,0,2]=4 2205 B12R1.50 Cc1cccc(c1)NC(C)CO 34a_100000188690_100012180447 [0,1,0,0,0,1|0,0,2]=4 2206 B12R1.50 Cc1cccc(c1)OC(C)C#N 7a_100000210337_100000703298 [0,1,0,0,0,1|1,0,1]=4 2207 B12R1.50 Cc1cccc(c1)OC(C)CO 34a_100000210337_100012180447 [0,1,0,0,0,1|0,0,2]=4 2208 B12R1.50 Cc1cccc(c1)OC(C)CO 7a_100000210337_100012180447 [0,1,0,0,0,1|0,0,2]=4 2209 B12R1.50 Cc1cccc(c1)SC(C)C#N 62a_100000703298_100011215228 [0,1,0,0,0,1|1,0,1]=4 2210 B12R1.50 Cc1cccc(c1)SC(C)C#N 62a_100011215228_100000703298 [0,1,0,0,0,1|1,0,1]=4 2211 B12R1.50 Cc1cccc(c1)SC(C)CO 62a_100012180447_100011215228 [0,1,0,0,0,1|0,0,2]=4 2212 B12R1.50 Cc1cccc(c1)S[C@H](C)CO 62a_100011215228_100016084084 [0,1,0,0,0,1|0,0,2]=4 2213 B12R1.50 Cc1cccc(c1)S[C@H](C)CO 62a_100016084084_100011215228 [0,1,0,0,0,1|0,0,2]=4 2214 B12R1.118 C#CC(Cc1ccccc1)OC 34a_100000685211_200000210301 [0,1,0,0,0,1|1,0,1]=4 2215 B12R1.118 C#CC(Cc1ccccc1)OC 7a_100000685211_200000210301 [0,1,0,0,0,1|1,0,1]=4 2216 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 34a_100000685211_200025704644 [0,1,0,0,0,1|1,0,1]=4 2217 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 7a_100000685211_200025704644 [0,1,0,0,0,1|1,0,1]=4 2218 B12R1.118 CCC(CC)Oc1ccccc1 7a_100000210340_100000210505 [0,1,0,0,0,1|1,0,1]=4 2219 B12R1.118 CCC(CC)Sc1ccccc1 62a_100000210505_100000041952 [0,1,0,0,0,1|1,0,1]=4 2220 B12R1.118 CCC(CC)Sc1ccccc1 62a_100000719477_100000210505 [0,1,0,0,0,1|1,0,1]=4 2221 B12R1.118 CCC(Cc1ccccc1)NC 270004a_106832991635_100000212045 [0,1,0,0,0,1|1,0,1]=4 2222 B12R1.118 CCC(Cc1ccccc1)OC 7a_100000760156_200000210301 [0,1,0,0,0,1|1,0,1]=4 2223 B12R1.118 CCC(Cc1ccccc1)O[13CH3] 7a_100000760156_200025704644 [0,1,0,0,0,1|1,0,1]=4 2224 B12R1.118 CNC(C#N)Cc1ccccc1 2230a_100000746547_200000210301 [0,1,0,0,0,1|1,0,1]=4 2225 B12R1.118 CNC(C#N)Cc1ccccc1 7a_106832991635_100000183401 [0,1,0,0,0,1|1,0,1]=4 2226 B12R1.118 CNC(CO)Cc1ccccc1 2230a_100000739027_200000210301 [0,1,0,0,0,1|0,0,2]=4 2227 B12R1.118 COC(CN)Cc1ccccc1 34a_100000752270_200000210301 [0,1,0,0,0,1|1,0,1]=4 2228 B12R1.118 CO[C@H](CCl)Cc1ccccc1 7a_100000729385_200000210301 [0,1,0,0,0,1|1,0,1]=4 2229 B12R1.118 CSC(C#N)Cc1ccccc1 62a_100000183401_200000210301 [0,1,0,0,0,1|1,0,1]=4 2230 B12R1.118 CSC(C#N)Cc1ccccc1 62a_200000210301_100000183401 [0,1,0,0,0,1|1,0,1]=4 2231 B12R1.118 O=CC(C=O)Nc1ccccc1 34a_100000106764_100000736813 [0,1,0,0,0,1|0,0,1]=3 2232 B12R1.118 O=CC(C=O)Oc1ccccc1 34a_100000210340_100000736813 [0,1,0,0,0,1|0,0,1]=3 2233 B12R1.118 O=CC(C=O)Oc1cccnc1 34a_100000210849_100000736813 [0,1,0,0,0,1|1,0,1]=4 2234 B12R1.118 O=CC(C=O)Oc1ccncc1 34a_100000212176_100000736813 [0,1,0,0,0,1|1,0,1]=4 2235 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000719477_100000736813 [0,1,0,0,0,1|0,0,1]=3 2236 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000736813_100000041952 [0,1,0,0,0,1|0,0,1]=3 2237 B12R1.118 O=CC(C=O)Sc1ccccn1 62a_100000736813_100011216584 [0,1,0,0,0,1|1,0,1]=4 2238 B12R1.118 O=CC(C=O)Sc1ccccn1 62a_100011216584_100000736813 [0,1,0,0,0,1|1,0,1]=4 2239 B12R1.118 O=CC(C=O)Sc1cccnc1 62a_100000210063_100000736813 [0,1,0,0,0,1|1,0,1]=4 2240 B12R1.118 O=CC(C=O)Sc1cccnc1 62a_100000736813_100000210063 [0,1,0,0,0,1|1,0,1]=4 2241 B12R1.118 O=CC(C=O)Sc1ccncc1 62a_100000728582_100000736813 [0,1,0,0,0,1|1,0,1]=4 2242 B12R1.118 O=CC(C=O)Sc1ccncc1 62a_100000736813_100000728582 [0,1,0,0,0,1|1,0,1]=4 2243 B12R1.118 [13CH3]NC(C#N)Cc1ccccc1 2230a_100000746547_200025704644 [0,1,0,0,0,1|1,0,1]=4 2244 B12R1.118 [13CH3]NC(CO)Cc1ccccc1 2230a_100000739027_200025704644 [0,1,0,0,0,1|0,0,2]=4 2245 B12R1.118 [13CH3]OC(CN)Cc1ccccc1 34a_100000752270_200025704644 [0,1,0,0,0,1|1,0,1]=4 2246 B12R1.118 [13CH3]O[C@H](CCl)Cc1ccccc1 7a_100000729385_200025704644 [0,1,0,0,0,1|1,0,1]=4 2247 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_100000183401_200025704644 [0,1,0,0,0,1|1,0,1]=4 2248 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_200025704644_100000183401 [0,1,0,0,0,1|1,0,1]=4 2249 B12R1.194 C#CC(C)(C)Nc1ccccc1 34a_100000106764_100000038118 [0,1,0,0,0,1|1,0,1]=4 2250 B12R1.194 C#CC(C)(C)Oc1ccccc1 34a_100000210340_100000038118 [0,1,0,0,0,1|1,0,1]=4 2251 B12R1.194 C#CC(C)(C)Sc1ccccc1 62a_100000038118_100000041952 [0,1,0,0,0,1|1,0,1]=4 2252 B12R1.194 C#CC(C)(C)Sc1ccccc1 62a_100000719477_100000038118 [0,1,0,0,0,1|1,0,1]=4 2253 B12R1.194 C=CC(F)(F)Sc1ccccc1 62a_100000719477_100009814244 [0,1,0,0,0,1|2,0,0]=4 2254 B12R1.194 C=CC(F)(F)Sc1ccccc1 62a_100009814244_100000041952 [0,1,0,0,0,1|2,0,0]=4 2255 B12R1.194 CC(C)(C#N)Nc1ccccc1 34a_100000106764_100011162410 [0,1,0,0,0,1|1,0,1]=4 2256 B12R1.194 CC(C)(C#N)Oc1ccccc1 34a_100000210340_100011162410 [0,1,0,0,0,1|1,0,1]=4 2257 B12R1.194 CC(C)(C#N)Oc1ccccc1 7a_100000210340_100011162410 [0,1,0,0,0,1|1,0,1]=4 2258 B12R1.194 CC(C)(C#N)Sc1ccccc1 62a_100000719477_100011162410 [0,1,0,0,0,1|1,0,1]=4 2259 B12R1.194 CC(C)(C#N)Sc1ccccc1 62a_100011162410_100000041952 [0,1,0,0,0,1|1,0,1]=4 2260 B12R1.194 CC(C)(Cc1ccccc1)O[13CH3] 7a_100011215222_200025704644 [0,1,0,0,0,1|2,0,0]=4 2261 B12R1.194 CCC(C)(C)Oc1ccccc1 7a_100000210340_100000210677 [0,1,0,0,0,1|1,0,1]=4 2262 B12R1.194 CCC(C)(C)Sc1ccccc1 62a_100000032637_100000041952 [0,1,0,0,0,1|1,0,1]=4 2263 B12R1.194 CCC(C)(C)Sc1ccccc1 62a_100000719477_100000032637 [0,1,0,0,0,1|1,0,1]=4 2264 B12R1.194 COC(C)(C)Cc1ccccc1 7a_100011215222_200000210301 [0,1,0,0,0,1|2,0,0]=4 2265 B12R1.371 C#CC(C)Nc1ccccc1Br 34a_100000210017_200000035995 [0,1,0,0,0,1|1,0,1]=4 2266 B12R1.371 C#CC(C)Nc1ccccc1C 34a_100015192222_200000035995 [0,1,0,0,0,1|1,0,1]=4 2267 B12R1.371 C#CC(C)Nc1ccccc1Cl 34a_100000185783_200000035995 [0,1,0,0,0,1|1,0,1]=4 2268 B12R1.371 C#CC(C)Nc1ccccc1F 34a_100000210422_200000035995 [0,1,0,0,0,1|1,0,1]=4 2269 B12R1.371 C#CC(C)Nc1ccccc1I 34a_100000210053_200000035995 [0,1,0,0,0,1|1,0,1]=4 2270 B12R1.371 C#CC(C)Nc1ccccc1O 34a_100000185747_200000035995 [0,1,0,0,0,1|1,0,1]=4 2271 B12R1.371 C#CC(C)Oc1ccccc1Br 34a_100000181306_200000035995 [0,1,0,0,0,1|1,0,1]=4 2272 B12R1.371 C#CC(C)Oc1ccccc1C 34a_100000210338_200000035995 [0,1,0,0,0,1|1,0,1]=4 2273 B12R1.371 C#CC(C)Oc1ccccc1Cl 34a_100000210172_200000035995 [0,1,0,0,0,1|1,0,1]=4 2274 B12R1.371 C#CC(C)Oc1ccccc1F 34a_100000210171_200000035995 [0,1,0,0,0,1|1,0,1]=4 2275 B12R1.371 C#CC(C)Oc1ccccc1I 34a_100000739446_200000035995 [0,1,0,0,0,1|1,0,1]=4 2276 B12R1.371 C#CC(C)Oc1ccccc1N 34a_100000185747_200000035995 [0,1,0,0,0,1|1,0,1]=4 2277 B12R1.371 C#CC(C)Sc1ccccc1Br 62a_200000035995_100000695589 [0,1,0,0,0,1|1,0,1]=4 2278 B12R1.371 C#CC(C)Sc1ccccc1C 62a_200000035995_100000210755 [0,1,0,0,0,1|1,0,1]=4 2279 B12R1.371 C#CC(C)Sc1ccccc1Cl 62a_200000035995_100000764095 [0,1,0,0,0,1|1,0,1]=4 2280 B12R1.371 C#CC(C)Sc1ccccc1F 62a_200000035995_100011215700 [0,1,0,0,0,1|1,0,1]=4 2281 B12R1.371 C#CC(C)Sc1ccccc1N 62a_200000035995_100000210017 [0,1,0,0,0,1|1,0,1]=4 2282 B12R1.371 C#CC(C)Sc1ccccc1O 62a_200000035995_100000739446 [0,1,0,0,0,1|1,0,1]=4 2283 B12R1.371 C=CC(C)Sc1c[nH]ccc1=O 62a_100011215867_100009998708 [0,1,0,0,0,1|2,0,0]=4 2284 B12R1.371 C=CC(C)Sc1c[nH]ccc1=S 62a_100011215867_200012280681 [0,1,0,0,0,1|2,0,0]=4 2285 B12R1.371 C=CC(C)Sc1cccc[n+]1C 62a_100011215867_100000212160 [0,1,0,0,0,1|2,0,0]=4 2286 B12R1.371 C=CC(C)Sc1cccc[n+]1[O-] 62a_100011215867_200000042595 [0,1,0,0,0,1|2,0,0]=4 2287 B12R1.371 C=CC(C)Sc1ccccc1Br 62a_100011215867_100000695589 [0,1,0,0,0,1|1,0,0]=3 2288 B12R1.371 C=CC(C)Sc1ccccc1C 62a_100011215867_100000210755 [0,1,0,0,0,1|1,0,0]=3 2289 B12R1.371 C=CC(C)Sc1ccccc1Cl 62a_100011215867_100000764095 [0,1,0,0,0,1|1,0,0]=3 2290 B12R1.371 C=CC(C)Sc1ccccc1F 62a_100011215867_100011215700 [0,1,0,0,0,1|1,0,0]=3 2291 B12R1.371 C=CC(C)Sc1ccccc1N 62a_100011215867_100000210017 [0,1,0,0,0,1|1,0,0]=3 2292 B12R1.371 C=CC(C)Sc1ccccc1O 62a_100011215867_100000739446 [0,1,0,0,0,1|1,0,0]=3 2293 B12R1.371 C=CC(C)Sc1cccnc1Br 62a_100011215867_100010202626 [0,1,0,0,0,1|2,0,0]=4 2294 B12R1.371 C=CC(C)Sc1cccnc1C 62a_100011215867_100000751574 [0,1,0,0,0,1|2,0,0]=4 2295 B12R1.371 C=CC(C)Sc1cccnc1Cl 62a_100011215867_100000036424 [0,1,0,0,0,1|2,0,0]=4 2296 B12R1.371 C=CC(C)Sc1cccnc1F 62a_100011215867_100009816115 [0,1,0,0,0,1|2,0,0]=4 2297 B12R1.371 C=CC(C)Sc1cccnc1N 62a_100011215867_100000045569 [0,1,0,0,0,1|2,0,0]=4 2298 B12R1.371 C=CC(C)Sc1cccnc1O 62a_100011215867_100000760158 [0,1,0,0,0,1|2,0,0]=4 2299 B12R1.371 C=CC(C)Sc1ccncc1Br 62a_100011215867_100000726257 [0,1,0,0,0,1|2,0,0]=4 2300 B12R1.371 C=CC(C)Sc1ccncc1C 62a_100011215867_100000765111 [0,1,0,0,0,1|2,0,0]=4 2301 B12R1.371 C=CC(C)Sc1ccncc1Cl 62a_100011215867_100000708259 [0,1,0,0,0,1|2,0,0]=4 2302 B12R1.371 C=CC(C)Sc1ccncc1F 62a_100011215867_100000047030 [0,1,0,0,0,1|2,0,0]=4 2303 B12R1.371 C=CC(C)Sc1ccncc1N 62a_100011215867_100000756074 [0,1,0,0,0,1|2,0,0]=4 2304 B12R1.371 C=CC(C)Sc1ccncc1O 62a_100011215867_100009817591 [0,1,0,0,0,1|2,0,0]=4 2305 B12R1.371 C=CC(C)Sc1cnccc1Br 62a_100011215867_100010138639 [0,1,0,0,0,1|2,0,0]=4 2306 B12R1.371 C=CC(C)Sc1cnccc1C 62a_100011215867_100000761580 [0,1,0,0,0,1|2,0,0]=4 2307 B12R1.371 C=CC(C)Sc1cnccc1Cl 62a_100011215867_100009995489 [0,1,0,0,0,1|2,0,0]=4 2308 B12R1.371 C=CC(C)Sc1cnccc1F 62a_100011215867_100009820683 [0,1,0,0,0,1|2,0,0]=4 2309 B12R1.371 C=CC(C)Sc1cnccc1N 62a_100011215867_100000047001 [0,1,0,0,0,1|2,0,0]=4 2310 B12R1.371 C=CC(C)Sc1ncccc1Br 62a_100011215867_100000696092 [0,1,0,0,0,1|2,0,0]=4 2311 B12R1.371 C=CC(C)Sc1ncccc1C 62a_100011215867_100000751373 [0,1,0,0,0,1|2,0,0]=4 2312 B12R1.371 C=CC(C)Sc1ncccc1Cl 62a_100011215867_100011356963 [0,1,0,0,0,1|2,0,0]=4 2313 B12R1.371 C=CC(C)Sc1ncccc1F 62a_100011215867_100000685392 [0,1,0,0,0,1|2,0,0]=4 2314 B12R1.371 C=CC(C)Sc1ncccc1N 62a_100011215867_100000688686 [0,1,0,0,0,1|2,0,0]=4 2315 B12R1.371 C=CC(C)Sc1ncccc1O 62a_100011215867_100000034122 [0,1,0,0,0,1|2,0,0]=4 2316 B12R1.371 CC(C#N)Oc1ccccc1Br 7a_100000181306_100000703298 [0,1,0,0,0,1|1,0,1]=4 2317 B12R1.371 CC(C#N)Oc1ccccc1Cl 7a_100000210172_100000703298 [0,1,0,0,0,1|1,0,1]=4 2318 B12R1.371 CC(C#N)Oc1ccccc1F 7a_100000210171_100000703298 [0,1,0,0,0,1|1,0,1]=4 2319 B12R1.371 CC(C#N)Oc1ccccc1I 7a_100000739446_100000703298 [0,1,0,0,0,1|1,0,1]=4 2320 B12R1.371 CC(C#N)Oc1ccccc1N 7a_100000185747_100000703298 [0,1,0,0,0,1|1,0,1]=4 2321 B12R1.371 CC(C#N)Sc1ccccc1Br 62a_100000695589_100000703298 [0,1,0,0,0,1|1,0,1]=4 2322 B12R1.371 CC(C#N)Sc1ccccc1Br 62a_100000703298_100000695589 [0,1,0,0,0,1|1,0,1]=4 2323 B12R1.371 CC(C#N)Sc1ccccc1Cl 62a_100000703298_100000764095 [0,1,0,0,0,1|1,0,1]=4 2324 B12R1.371 CC(C#N)Sc1ccccc1Cl 62a_100000764095_100000703298 [0,1,0,0,0,1|1,0,1]=4 2325 B12R1.371 CC(C#N)Sc1ccccc1F 62a_100000703298_100011215700 [0,1,0,0,0,1|1,0,1]=4 2326 B12R1.371 CC(C#N)Sc1ccccc1F 62a_100011215700_100000703298 [0,1,0,0,0,1|1,0,1]=4 2327 B12R1.371 CC(C#N)Sc1ccccc1N 62a_100000210017_100000703298 [0,1,0,0,0,1|1,0,1]=4 2328 B12R1.371 CC(C#N)Sc1ccccc1N 62a_100000703298_100000210017 [0,1,0,0,0,1|1,0,1]=4 2329 B12R1.371 CC(C#N)Sc1ccccc1O 62a_100000703298_100000739446 [0,1,0,0,0,1|1,0,1]=4 2330 B12R1.371 CC(C#N)Sc1ccccc1O 62a_100000739446_100000703298 [0,1,0,0,0,1|1,0,1]=4 2331 B12R1.371 CC(CO)Nc1ccccc1Br 34a_100000210017_100012180447 [0,1,0,0,0,1|0,0,2]=4 2332 B12R1.371 CC(CO)Nc1ccccc1Cl 34a_100000185783_100012180447 [0,1,0,0,0,1|0,0,2]=4 2333 B12R1.371 CC(CO)Nc1ccccc1F 34a_100000210422_100012180447 [0,1,0,0,0,1|0,0,2]=4 2334 B12R1.371 CC(CO)Nc1ccccc1I 34a_100000210053_100012180447 [0,1,0,0,0,1|0,0,2]=4 2335 B12R1.371 CC(CO)Nc1ccccc1O 34a_100000185747_100012180447 [0,1,0,0,0,1|0,0,2]=4 2336 B12R1.371 CC(CO)Oc1ccccc1Br 34a_100000181306_100012180447 [0,1,0,0,0,1|0,0,2]=4 2337 B12R1.371 CC(CO)Oc1ccccc1Br 7a_100000181306_100012180447 [0,1,0,0,0,1|0,0,2]=4 2338 B12R1.371 CC(CO)Oc1ccccc1Cl 34a_100000210172_100012180447 [0,1,0,0,0,1|0,0,2]=4 2339 B12R1.371 CC(CO)Oc1ccccc1Cl 7a_100000210172_100012180447 [0,1,0,0,0,1|0,0,2]=4 2340 B12R1.371 CC(CO)Oc1ccccc1F 34a_100000210171_100012180447 [0,1,0,0,0,1|0,0,2]=4 2341 B12R1.371 CC(CO)Oc1ccccc1F 7a_100000210171_100012180447 [0,1,0,0,0,1|0,0,2]=4 2342 B12R1.371 CC(CO)Oc1ccccc1I 34a_100000739446_100012180447 [0,1,0,0,0,1|0,0,2]=4 2343 B12R1.371 CC(CO)Oc1ccccc1I 7a_100000739446_100012180447 [0,1,0,0,0,1|0,0,2]=4 2344 B12R1.371 CC(CO)Oc1ccccc1N 34a_100000185747_100012180447 [0,1,0,0,0,1|0,0,2]=4 2345 B12R1.371 CC(CO)Oc1ccccc1N 7a_100000185747_100012180447 [0,1,0,0,0,1|0,0,2]=4 2346 B12R1.371 CC(CO)Sc1ccccc1Br 62a_100012180447_100000695589 [0,1,0,0,0,1|0,0,2]=4 2347 B12R1.371 CC(CO)Sc1ccccc1Cl 62a_100012180447_100000764095 [0,1,0,0,0,1|0,0,2]=4 2348 B12R1.371 CC(CO)Sc1ccccc1F 62a_100012180447_100011215700 [0,1,0,0,0,1|0,0,2]=4 2349 B12R1.371 CC(CO)Sc1ccccc1N 62a_100012180447_100000210017 [0,1,0,0,0,1|0,0,2]=4 2350 B12R1.371 CC(CO)Sc1ccccc1O 62a_100012180447_100000739446 [0,1,0,0,0,1|0,0,2]=4 2351 B12R1.371 CCC(C)Nc1ccccc1Br 34a_100000210017_100011215416 [0,1,0,0,0,1|1,0,1]=4 2352 B12R1.371 CCC(C)Nc1ccccc1C 34a_100015192222_100011215416 [0,1,0,0,0,1|1,0,1]=4 2353 B12R1.371 CCC(C)Nc1ccccc1Cl 34a_100000185783_100011215416 [0,1,0,0,0,1|1,0,1]=4 2354 B12R1.371 CCC(C)Nc1ccccc1F 34a_100000210422_100011215416 [0,1,0,0,0,1|1,0,1]=4 2355 B12R1.371 CCC(C)Nc1ccccc1I 34a_100000210053_100011215416 [0,1,0,0,0,1|1,0,1]=4 2356 B12R1.371 CCC(C)Nc1ccccc1O 34a_100000185747_100011215416 [0,1,0,0,0,1|1,0,1]=4 2357 B12R1.371 CCC(C)Oc1ccccc1Br 34a_100000181306_100011215416 [0,1,0,0,0,1|1,0,1]=4 2358 B12R1.371 CCC(C)Oc1ccccc1Br 7a_100000181306_100000758301 [0,1,0,0,0,1|1,0,1]=4 2359 B12R1.371 CCC(C)Oc1ccccc1C 34a_100000210338_100011215416 [0,1,0,0,0,1|1,0,1]=4 2360 B12R1.371 CCC(C)Oc1ccccc1C 7a_100000210338_100000758301 [0,1,0,0,0,1|1,0,1]=4 2361 B12R1.371 CCC(C)Oc1ccccc1Cl 34a_100000210172_100011215416 [0,1,0,0,0,1|1,0,1]=4 2362 B12R1.371 CCC(C)Oc1ccccc1Cl 7a_100000210172_100000758301 [0,1,0,0,0,1|1,0,1]=4 2363 B12R1.371 CCC(C)Oc1ccccc1F 34a_100000210171_100011215416 [0,1,0,0,0,1|1,0,1]=4 2364 B12R1.371 CCC(C)Oc1ccccc1F 7a_100000210171_100000758301 [0,1,0,0,0,1|1,0,1]=4 2365 B12R1.371 CCC(C)Oc1ccccc1I 34a_100000739446_100011215416 [0,1,0,0,0,1|1,0,1]=4 2366 B12R1.371 CCC(C)Oc1ccccc1I 7a_100000739446_100000758301 [0,1,0,0,0,1|1,0,1]=4 2367 B12R1.371 CCC(C)Oc1ccccc1N 34a_100000185747_100011215416 [0,1,0,0,0,1|1,0,1]=4 2368 B12R1.371 CCC(C)Oc1ccccc1N 7a_100000185747_100000758301 [0,1,0,0,0,1|1,0,1]=4 2369 B12R1.371 CCC(C)Sc1ccccc1Br 62a_100000695589_100000758301 [0,1,0,0,0,1|1,0,1]=4 2370 B12R1.371 CCC(C)Sc1ccccc1Br 62a_100000758301_100000695589 [0,1,0,0,0,1|1,0,1]=4 2371 B12R1.371 CCC(C)Sc1ccccc1C 62a_100000210755_100000758301 [0,1,0,0,0,1|1,0,1]=4 2372 B12R1.371 CCC(C)Sc1ccccc1C 62a_100000758301_100000210755 [0,1,0,0,0,1|1,0,1]=4 2373 B12R1.371 CCC(C)Sc1ccccc1Cl 62a_100000758301_100000764095 [0,1,0,0,0,1|1,0,1]=4 2374 B12R1.371 CCC(C)Sc1ccccc1Cl 62a_100000764095_100000758301 [0,1,0,0,0,1|1,0,1]=4 2375 B12R1.371 CCC(C)Sc1ccccc1F 62a_100000758301_100011215700 [0,1,0,0,0,1|1,0,1]=4 2376 B12R1.371 CCC(C)Sc1ccccc1F 62a_100011215700_100000758301 [0,1,0,0,0,1|1,0,1]=4 2377 B12R1.371 CCC(C)Sc1ccccc1N 62a_100000210017_100000758301 [0,1,0,0,0,1|1,0,1]=4 2378 B12R1.371 CCC(C)Sc1ccccc1N 62a_100000758301_100000210017 [0,1,0,0,0,1|1,0,1]=4 2379 B12R1.371 CCC(C)Sc1ccccc1O 62a_100000739446_100000758301 [0,1,0,0,0,1|1,0,1]=4 2380 B12R1.371 CCC(C)Sc1ccccc1O 62a_100000758301_100000739446 [0,1,0,0,0,1|1,0,1]=4 2381 B12R1.371 CNC(C)Cc1ccccc1Br 270004a_106832991635_100011350739 [0,1,0,0,0,1|2,0,0]=4 2382 B12R1.371 CNC(C)Cc1ccccc1C 270004a_106832991635_200000764500 [0,1,0,0,0,1|2,0,0]=4 2383 B12R1.371 CNC(C)Cc1ccccc1Cl 270004a_106832991635_100000758791 [0,1,0,0,0,1|2,0,0]=4 2384 B12R1.371 CNC(C)Cc1ccccc1F 270004a_106832991635_100000709178 [0,1,0,0,0,1|2,0,0]=4 2385 B12R1.371 COC(C)Sc1ccccc1Br 62a_100000695589_100009879195 [0,1,0,0,0,1|2,0,0]=4 2386 B12R1.371 COC(C)Sc1ccccc1Br 62a_100009879195_100000695589 [0,1,0,0,0,1|2,0,0]=4 2387 B12R1.371 COC(C)Sc1ccccc1C 62a_100000210755_100009879195 [0,1,0,0,0,1|2,0,0]=4 2388 B12R1.371 COC(C)Sc1ccccc1C 62a_100009879195_100000210755 [0,1,0,0,0,1|2,0,0]=4 2389 B12R1.371 COC(C)Sc1ccccc1Cl 62a_100000764095_100009879195 [0,1,0,0,0,1|2,0,0]=4 2390 B12R1.371 COC(C)Sc1ccccc1Cl 62a_100009879195_100000764095 [0,1,0,0,0,1|2,0,0]=4 2391 B12R1.371 COC(C)Sc1ccccc1F 62a_100009879195_100011215700 [0,1,0,0,0,1|2,0,0]=4 2392 B12R1.371 COC(C)Sc1ccccc1F 62a_100011215700_100009879195 [0,1,0,0,0,1|2,0,0]=4 2393 B12R1.371 COC(C)Sc1ccccc1N 62a_100000210017_100009879195 [0,1,0,0,0,1|2,0,0]=4 2394 B12R1.371 COC(C)Sc1ccccc1N 62a_100009879195_100000210017 [0,1,0,0,0,1|2,0,0]=4 2395 B12R1.371 COC(C)Sc1ccccc1O 62a_100000739446_100009879195 [0,1,0,0,0,1|2,0,0]=4 2396 B12R1.371 COC(C)Sc1ccccc1O 62a_100009879195_100000739446 [0,1,0,0,0,1|2,0,0]=4 2397 B12R1.371 C[C@H](CO)Sc1ccccc1Br 62a_100000695589_100016084084 [0,1,0,0,0,1|0,0,2]=4 2398 B12R1.371 C[C@H](CO)Sc1ccccc1Br 62a_100016084084_100000695589 [0,1,0,0,0,1|0,0,2]=4 2399 B12R1.371 C[C@H](CO)Sc1ccccc1Cl 62a_100000764095_100016084084 [0,1,0,0,0,1|0,0,2]=4 2400 B12R1.371 C[C@H](CO)Sc1ccccc1Cl 62a_100016084084_100000764095 [0,1,0,0,0,1|0,0,2]=4 2401 B12R1.371 C[C@H](CO)Sc1ccccc1F 62a_100011215700_100016084084 [0,1,0,0,0,1|0,0,2]=4 2402 B12R1.371 C[C@H](CO)Sc1ccccc1F 62a_100016084084_100011215700 [0,1,0,0,0,1|0,0,2]=4 2403 B12R1.371 C[C@H](CO)Sc1ccccc1N 62a_100000210017_100016084084 [0,1,0,0,0,1|0,0,2]=4 2404 B12R1.371 C[C@H](CO)Sc1ccccc1N 62a_100016084084_100000210017 [0,1,0,0,0,1|0,0,2]=4 2405 B12R1.371 C[C@H](CO)Sc1ccccc1O 62a_100000739446_100016084084 [0,1,0,0,0,1|0,0,2]=4 2406 B12R1.371 C[C@H](CO)Sc1ccccc1O 62a_100016084084_100000739446 [0,1,0,0,0,1|0,0,2]=4 2407 B12R1.371 Cc1ccccc1NC(C)CO 34a_100015192222_100012180447 [0,1,0,0,0,1|0,0,2]=4 2408 B12R1.371 Cc1ccccc1OC(C)C#N 7a_100000210338_100000703298 [0,1,0,0,0,1|1,0,1]=4 2409 B12R1.371 Cc1ccccc1OC(C)CO 34a_100000210338_100012180447 [0,1,0,0,0,1|0,0,2]=4 2410 B12R1.371 Cc1ccccc1OC(C)CO 7a_100000210338_100012180447 [0,1,0,0,0,1|0,0,2]=4 2411 B12R1.371 Cc1ccccc1SC(C)C#N 62a_100000210755_100000703298 [0,1,0,0,0,1|1,0,1]=4 2412 B12R1.371 Cc1ccccc1SC(C)C#N 62a_100000703298_100000210755 [0,1,0,0,0,1|1,0,1]=4 2413 B12R1.371 Cc1ccccc1SC(C)CO 62a_100012180447_100000210755 [0,1,0,0,0,1|0,0,2]=4 2414 B12R1.371 Cc1ccccc1S[C@H](C)CO 62a_100000210755_100016084084 [0,1,0,0,0,1|0,0,2]=4 2415 B12R1.371 Cc1ccccc1S[C@H](C)CO 62a_100016084084_100000210755 [0,1,0,0,0,1|0,0,2]=4 2416 B12R1.9 CC(C)(C#N)c1ccc(cc1)O 271570a_203496583355_100000740055 [0,2,0,0,0,0|1,0,1]=4 2417 B12R1.9 CC(C)(C=O)c1ccc(cc1)O 271570a_203496583355_100010228009 [0,2,0,0,0,0|0,0,0]=2 2418 B12R1.9 CC(C)(N[13CH3])c1ccc(cc1)Br 2230a_100000739617_200025704644 [0,2,0,0,0,0|2,0,0]=4 2419 B12R1.9 CC(C)(N[13CH3])c1ccc(cc1)Cl 2230a_100000750703_200025704644 [0,2,0,0,0,0|2,0,0]=4 2420 B12R1.9 CC(C)(N[13CH3])c1ccc(cc1)F 2230a_100015193028_200025704644 [0,2,0,0,0,0|2,0,0]=4 2421 B12R1.9 CC(C)(N[13CH3])c1ccc(cc1)F 34a_100015193028_200025704644 [0,2,0,0,0,0|2,0,0]=4 2422 B12R1.9 CC(C)(O[13CH3])c1ccc(cc1)Br 34a_100000753367_200025704644 [0,2,0,0,0,0|2,0,0]=4 2423 B12R1.9 CC(C)(O[13CH3])c1ccc(cc1)Br 7a_100000753367_200025704644 [0,2,0,0,0,0|2,0,0]=4 2424 B12R1.9 CC(C)(O[13CH3])c1ccc(cc1)Cl 34a_100000750429_200025704644 [0,2,0,0,0,0|2,0,0]=4 2425 B12R1.9 CC(C)(O[13CH3])c1ccc(cc1)Cl 7a_100000750429_200025704644 [0,2,0,0,0,0|2,0,0]=4 2426 B12R1.9 CC(C)(O[13CH3])c1ccc(cc1)F 34a_100011219992_200025704644 [0,2,0,0,0,0|2,0,0]=4 2427 B12R1.9 CC(C)(O[13CH3])c1ccc(cc1)F 7a_100011219992_200025704644 [0,2,0,0,0,0|2,0,0]=4 2428 B12R1.9 CNC(C)(C)c1ccc(cc1)Br 2230a_100000739617_200000210301 [0,2,0,0,0,0|2,0,0]=4 2429 B12R1.9 CNC(C)(C)c1ccc(cc1)C 2230a_200011345931_200000210301 [0,2,0,0,0,0|2,0,0]=4 2430 B12R1.9 CNC(C)(C)c1ccc(cc1)C 34a_200011345931_200000210301 [0,2,0,0,0,0|2,0,0]=4 2431 B12R1.9 CNC(C)(C)c1ccc(cc1)Cl 2230a_100000750703_200000210301 [0,2,0,0,0,0|2,0,0]=4 2432 B12R1.9 CNC(C)(C)c1ccc(cc1)F 2230a_100015193028_200000210301 [0,2,0,0,0,0|2,0,0]=4 2433 B12R1.9 CNC(C)(C)c1ccc(cc1)F 34a_100015193028_200000210301 [0,2,0,0,0,0|2,0,0]=4 2434 B12R1.9 COC(C)(C)c1ccc(cc1)Br 34a_100000753367_200000210301 [0,2,0,0,0,0|2,0,0]=4 2435 B12R1.9 COC(C)(C)c1ccc(cc1)Br 7a_100000753367_200000210301 [0,2,0,0,0,0|2,0,0]=4 2436 B12R1.9 COC(C)(C)c1ccc(cc1)C 34a_200011345916_200000210301 [0,2,0,0,0,0|2,0,0]=4 2437 B12R1.9 COC(C)(C)c1ccc(cc1)C 7a_200011345916_200000210301 [0,2,0,0,0,0|2,0,0]=4 2438 B12R1.9 COC(C)(C)c1ccc(cc1)Cl 34a_100000750429_200000210301 [0,2,0,0,0,0|2,0,0]=4 2439 B12R1.9 COC(C)(C)c1ccc(cc1)Cl 7a_100000750429_200000210301 [0,2,0,0,0,0|2,0,0]=4 2440 B12R1.9 COC(C)(C)c1ccc(cc1)F 34a_100011219992_200000210301 [0,2,0,0,0,0|2,0,0]=4 2441 B12R1.9 COC(C)(C)c1ccc(cc1)F 7a_100011219992_200000210301 [0,2,0,0,0,0|2,0,0]=4 2442 B12R1.9 Cc1ccc(cc1)C(C)(C)N[13CH3] 2230a_200011345931_200025704644 [0,2,0,0,0,0|2,0,0]=4 2443 B12R1.9 Cc1ccc(cc1)C(C)(C)N[13CH3] 34a_200011345931_200025704644 [0,2,0,0,0,0|2,0,0]=4 2444 B12R1.9 Cc1ccc(cc1)C(C)(C)O[13CH3] 34a_200011345916_200025704644 [0,2,0,0,0,0|2,0,0]=4 2445 B12R1.9 Cc1ccc(cc1)C(C)(C)O[13CH3] 7a_200011345916_200025704644 [0,2,0,0,0,0|2,0,0]=4 2446 B12R1.10 CC(C)(C#N)c1cccc(c1)O 271570a_203496583355_100011389682 [0,2,0,0,0,0|1,0,1]=4 2447 B12R1.10 CC(C)(CN)c1cccc(c1)O 271570a_203496583355_100000749542 [0,2,0,0,0,0|1,0,1]=4 2448 B12R1.10 CC(C)(CO)c1cccc(c1)O 271570a_203496583355_200010233077 [0,2,0,0,0,0|0,0,2]=4 2449 B12R1.10 CC(C)(N[13CH3])c1cccc(c1)Br 2230a_100016995529_200025704644 [0,2,0,0,0,0|2,0,0]=4 2450 B12R1.10 CC(C)(N[13CH3])c1cccc(c1)Cl 2230a_100020605014_200025704644 [0,2,0,0,0,0|2,0,0]=4 2451 B12R1.10 CC(C)(N[13CH3])c1cccc(c1)F 2230a_100016993694_200025704644 [0,2,0,0,0,0|2,0,0]=4 2452 B12R1.10 CC(C)(N[13CH3])c1cccc(c1)F 34a_100016993694_200025704644 [0,2,0,0,0,0|2,0,0]=4 2453 B12R1.10 CC(C)(O[13CH3])c1cccc(c1)Br 34a_100011346009_200025704644 [0,2,0,0,0,0|2,0,0]=4 2454 B12R1.10 CC(C)(O[13CH3])c1cccc(c1)Br 7a_100011346009_200025704644 [0,2,0,0,0,0|2,0,0]=4 2455 B12R1.10 CC(C)(O[13CH3])c1cccc(c1)Cl 34a_100011345980_200025704644 [0,2,0,0,0,0|2,0,0]=4 2456 B12R1.10 CC(C)(O[13CH3])c1cccc(c1)Cl 7a_100011345980_200025704644 [0,2,0,0,0,0|2,0,0]=4 2457 B12R1.10 CC(C)(O[13CH3])c1cccc(c1)F 34a_200011345953_200025704644 [0,2,0,0,0,0|2,0,0]=4 2458 B12R1.10 CC(C)(O[13CH3])c1cccc(c1)F 7a_200011345953_200025704644 [0,2,0,0,0,0|2,0,0]=4 2459 B12R1.10 CNC(C)(C)c1cccc(c1)Br 2230a_100016995529_200000210301 [0,2,0,0,0,0|2,0,0]=4 2460 B12R1.10 CNC(C)(C)c1cccc(c1)Cl 2230a_100020605014_200000210301 [0,2,0,0,0,0|2,0,0]=4 2461 B12R1.10 CNC(C)(C)c1cccc(c1)F 2230a_100016993694_200000210301 [0,2,0,0,0,0|2,0,0]=4 2462 B12R1.10 CNC(C)(C)c1cccc(c1)F 34a_100016993694_200000210301 [0,2,0,0,0,0|2,0,0]=4 2463 B12R1.10 COC(C)(C)c1cccc(c1)Br 34a_100011346009_200000210301 [0,2,0,0,0,0|2,0,0]=4 2464 B12R1.10 COC(C)(C)c1cccc(c1)Br 7a_100011346009_200000210301 [0,2,0,0,0,0|2,0,0]=4 2465 B12R1.10 COC(C)(C)c1cccc(c1)Cl 34a_100011345980_200000210301 [0,2,0,0,0,0|2,0,0]=4 2466 B12R1.10 COC(C)(C)c1cccc(c1)Cl 7a_100011345980_200000210301 [0,2,0,0,0,0|2,0,0]=4 2467 B12R1.10 COC(C)(C)c1cccc(c1)F 34a_200011345953_200000210301 [0,2,0,0,0,0|2,0,0]=4 2468 B12R1.10 COC(C)(C)c1cccc(c1)F 7a_200011345953_200000210301 [0,2,0,0,0,0|2,0,0]=4 2469 B12R1.39 CC(C)(CN[13CH3])c1ccccc1 2230a_100011211644_200025704644 [0,2,0,0,0,0|1,0,1]=4 2470 B12R1.39 CC(C)(CO[13CH3])c1ccccc1 7a_100000747608_200025704644 [0,2,0,0,0,0|0,0,2]=4 2471 B12R1.39 CC(C)(CS[13CH3])c1ccccc1 62a_100000703224_200025704644 [0,2,0,0,0,0|0,1,1]=4 2472 B12R1.39 CC(C)(CS[13CH3])c1ccccc1 62a_200025704644_100000703224 [0,2,0,0,0,0|0,1,1]=4 2473 B12R1.39 CC(C)(OCF)c1ccccc1 7a_100000694644_100015361967 [0,2,0,0,0,0|1,0,1]=4 2474 B12R1.39 CC(C)(SCF)c1ccccc1 62a_100000034625_100015361967 [0,2,0,0,0,0|1,0,1]=4 2475 B12R1.39 CC(C)(SCF)c1ccccc1 62a_100015361967_100000034625 [0,2,0,0,0,0|1,0,1]=4 2476 B12R1.39 CC(O)(CN[13CH3])c1ccccc1 2230a_100011660926_200025704644 [0,2,0,0,0,0|1,0,1]=4 2477 B12R1.39 CCNC(C)(C)c1ccccc1 2230a_100011218174_100000210202 [0,2,0,0,0,0|1,0,1]=4 2478 B12R1.39 CCNC(C)(C)c1ccccc1 2230a_100015525214_100000034625 [0,2,0,0,0,0|1,0,1]=4 2479 B12R1.39 CCOC(C)(C)c1ccccc1 7a_100000694644_100000210202 [0,2,0,0,0,0|1,0,1]=4 2480 B12R1.39 CCSC(C)(C)c1ccccc1 62a_100000034625_100000210202 [0,2,0,0,0,0|1,0,1]=4 2481 B12R1.39 CCSC(C)(C)c1ccccc1 62a_100000210202_100000034625 [0,2,0,0,0,0|1,0,1]=4 2482 B12R1.39 CNCC(C)(C)c1ccccc1 2230a_100011211644_200000210301 [0,2,0,0,0,0|1,0,1]=4 2483 B12R1.39 CNCC(C)(O)c1ccccc1 2230a_100011660926_200000210301 [0,2,0,0,0,0|1,0,1]=4 2484 B12R1.39 COCC(C)(C)c1ccccc1 7a_100000747608_200000210301 [0,2,0,0,0,0|0,0,2]=4 2485 B12R1.39 CSCC(C)(C)c1ccccc1 62a_100000703224_200000210301 [0,2,0,0,0,0|0,1,1]=4 2486 B12R1.39 CSCC(C)(C)c1ccccc1 62a_200000210301_100000703224 [0,2,0,0,0,0|0,1,1]=4 2487 B12R1.195 CC(C)(C#N)c1ccccc1O 271570a_203496583355_100000716882 [0,2,0,0,0,0|1,0,1]=4 2488 B12R1.195 CC(C)(N[13CH3])c1ccccc1Br 2230a_100020606264_200025704644 [0,2,0,0,0,0|2,0,0]=4 2489 B12R1.195 CC(C)(N[13CH3])c1ccccc1Cl 2230a_100020606166_200025704644 [0,2,0,0,0,0|2,0,0]=4 2490 B12R1.195 CC(C)(N[13CH3])c1ccccc1Cl 34a_100020606166_200025704644 [0,2,0,0,0,0|2,0,0]=4 2491 B12R1.195 CC(C)(N[13CH3])c1ccccc1F 2230a_100000734538_200025704644 [0,2,0,0,0,0|2,0,0]=4 2492 B12R1.195 CC(C)(N[13CH3])c1ccccc1F 34a_100000734538_200025704644 [0,2,0,0,0,0|2,0,0]=4 2493 B12R1.195 CC(C)(O[13CH3])c1ccccc1Br 34a_100011346021_200025704644 [0,2,0,0,0,0|2,0,0]=4 2494 B12R1.195 CC(C)(O[13CH3])c1ccccc1Br 7a_100011346021_200025704644 [0,2,0,0,0,0|2,0,0]=4 2495 B12R1.195 CC(C)(O[13CH3])c1ccccc1Cl 34a_100000690508_200025704644 [0,2,0,0,0,0|2,0,0]=4 2496 B12R1.195 CC(C)(O[13CH3])c1ccccc1Cl 7a_100000690508_200025704644 [0,2,0,0,0,0|2,0,0]=4 2497 B12R1.195 CC(C)(O[13CH3])c1ccccc1F 34a_100011345963_200025704644 [0,2,0,0,0,0|2,0,0]=4 2498 B12R1.195 CC(C)(O[13CH3])c1ccccc1F 7a_100011345963_200025704644 [0,2,0,0,0,0|2,0,0]=4 2499 B12R1.195 CC(C)(O[13CH3])c1ccccc1I 34a_100010296449_200025704644 [0,2,0,0,0,0|2,0,0]=4 2500 B12R1.195 CC(C)(O[13CH3])c1ccccc1I 7a_100010296449_200025704644 [0,2,0,0,0,0|2,0,0]=4 2501 B12R1.195 CC(C)(O[13CH3])c1ccccc1N 7a_100000081495_200025704644 [0,2,0,0,0,0|2,0,0]=4 2502 B12R1.195 CNC(C)(C)c1ccccc1Br 2230a_100020606264_200000210301 [0,2,0,0,0,0|2,0,0]=4 2503 B12R1.195 CNC(C)(C)c1ccccc1Cl 2230a_100020606166_200000210301 [0,2,0,0,0,0|2,0,0]=4 2504 B12R1.195 CNC(C)(C)c1ccccc1Cl 34a_100020606166_200000210301 [0,2,0,0,0,0|2,0,0]=4 2505 B12R1.195 CNC(C)(C)c1ccccc1F 2230a_100000734538_200000210301 [0,2,0,0,0,0|2,0,0]=4 2506 B12R1.195 CNC(C)(C)c1ccccc1F 34a_100000734538_200000210301 [0,2,0,0,0,0|2,0,0]=4 2507 B12R1.195 COC(C)(C)c1ccccc1Br 34a_100011346021_200000210301 [0,2,0,0,0,0|2,0,0]=4 2508 B12R1.195 COC(C)(C)c1ccccc1Br 7a_100011346021_200000210301 [0,2,0,0,0,0|2,0,0]=4 2509 B12R1.195 COC(C)(C)c1ccccc1Cl 34a_100000690508_200000210301 [0,2,0,0,0,0|2,0,0]=4 2510 B12R1.195 COC(C)(C)c1ccccc1Cl 7a_100000690508_200000210301 [0,2,0,0,0,0|2,0,0]=4 2511 B12R1.195 COC(C)(C)c1ccccc1F 34a_100011345963_200000210301 [0,2,0,0,0,0|2,0,0]=4 2512 B12R1.195 COC(C)(C)c1ccccc1F 7a_100011345963_200000210301 [0,2,0,0,0,0|2,0,0]=4 2513 B12R1.195 COC(C)(C)c1ccccc1I 34a_100010296449_200000210301 [0,2,0,0,0,0|2,0,0]=4 2514 B12R1.195 COC(C)(C)c1ccccc1I 7a_100010296449_200000210301 [0,2,0,0,0,0|2,0,0]=4 2515 B12R1.195 COC(C)(C)c1ccccc1N 7a_100000081495_200000210301 [0,2,0,0,0,0|2,0,0]=4 2516 B12R1.253 CC(=O)C(C)(C)c1ccccc1 1458a_100000070787_100000034625 [0,2,0,0,0,0|0,0,0]=2 2517 B12R1.253 CC(=O)C(C)(C)c1ccccc1 1458a_100000211857_200000210301 [0,2,0,0,0,0|0,0,0]=2 2518 B12R1.253 CC(=O)C(F)(F)c1ccccc1 1458a_100000070787_100000036403 [0,2,0,0,0,0|1,0,0]=3 2519 B12R1.253 CC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_200000210301 [0,2,0,0,0,0|0,0,0]=2 2520 B12R1.253 CC(C)(C(=O)[13CH3])c1ccccc1 1458a_100000211857_200025704644 [0,2,0,0,0,0|0,0,0]=2 2521 B12R1.253 CN(C)C(C)(C)c1ccccc1 2230a_100102631434_100000034625 [0,2,0,0,0,0|2,0,0]=4 2522 B12R1.253 CN(C)C(C)(C)c1ccccc1 269982a_100102631434_100000034625 [0,2,0,0,0,0|2,0,0]=4 2523 B12R1.253 C[C@](O)(C(=O)[13CH3])c1ccccc1 1458a_100000753667_200025704644 [0,2,0,0,0,0|0,0,0]=2 2524 B12R1.475 C#CC(C)(OC)c1ccccc1 34a_100000198054_200000210301 [0,2,0,0,0,0|1,0,1]=4 2525 B12R1.475 C#CC(C)(OC)c1ccccc1 7a_100000198054_200000210301 [0,2,0,0,0,0|1,0,1]=4 2526 B12R1.475 C#CC(C)(O[13CH3])c1ccccc1 34a_100000198054_200025704644 [0,2,0,0,0,0|1,0,1]=4 2527 B12R1.475 C#CC(C)(O[13CH3])c1ccccc1 7a_100000198054_200025704644 [0,2,0,0,0,0|1,0,1]=4 2528 B12R1.475 CCC(C)(OC)c1ccccc1 7a_100000748282_200000210301 [0,2,0,0,0,0|1,0,1]=4 2529 B12R1.475 CCC(C)(O[13CH3])c1ccccc1 7a_100000748282_200025704644 [0,2,0,0,0,0|1,0,1]=4 2530 B12R1.475 CSC(F)(C#N)c1ccccc1 62a_200000117376_200000210301 [0,2,0,0,0,0|1,0,1]=4 2531 B12R1.475 CSC(F)(C#N)c1ccccc1 62a_200000210301_200000117376 [0,2,0,0,0,0|1,0,1]=4 2532 B12R1.475 [13CH3]SC(F)(C#N)c1ccccc1 62a_200000117376_200025704644 [0,2,0,0,0,0|1,0,1]=4 2533 B12R1.475 [13CH3]SC(F)(C#N)c1ccccc1 62a_200025704644_200000117376 [0,2,0,0,0,0|1,0,1]=4 2534 B12R1.3 C#CC(OCC)c1ccccc1 34a_100011219616_100000210202 [0,2,0,0,0,0|1,0,1]=4 2535 B12R1.3 C#CC(OCC)c1ccccc1 7a_100011219616_100000210202 [0,2,0,0,0,0|1,0,1]=4 2536 B12R1.3 C#CC(OCF)c1ccccc1 34a_100011219616_100015361967 [0,2,0,0,0,0|1,0,1]=4 2537 B12R1.3 C#CC(OCF)c1ccccc1 7a_100011219616_100015361967 [0,2,0,0,0,0|1,0,1]=4 2538 B12R1.3 C=CC(NCC)c1ccccc1 2230a_100015525214_200000085779 [0,2,0,0,0,0|1,0,0]=3 2539 B12R1.3 C=CC(OCC)c1ccccc1 34a_100011215659_100000210202 [0,2,0,0,0,0|1,0,0]=3 2540 B12R1.3 C=CC(OCC)c1ccccc1 7a_100011215659_100000210202 [0,2,0,0,0,0|1,0,0]=3 2541 B12R1.3 C=CC(OCF)c1ccccc1 34a_100011215659_100015361967 [0,2,0,0,0,0|1,0,0]=3 2542 B12R1.3 C=CC(OCF)c1ccccc1 7a_100011215659_100015361967 [0,2,0,0,0,0|1,0,0]=3 2543 B12R1.3 C=CC(SCC)c1ccccc1 62a_100000210202_200000085779 [0,2,0,0,0,0|1,0,0]=3 2544 B12R1.3 C=CC(SCC)c1ccccc1 62a_200000085779_100000210202 [0,2,0,0,0,0|1,0,0]=3 2545 B12R1.3 C=CC(SCF)c1ccccc1 62a_100015361967_200000085779 [0,2,0,0,0,0|1,0,0]=3 2546 B12R1.3 C=CC(SCF)c1ccccc1 62a_200000085779_100015361967 [0,2,0,0,0,0|1,0,0]=3 2547 B12R1.3 C=CCC(OC)c1ccccc1 34a_100000687291_200000210301 [0,2,0,0,0,0|1,0,0]=3 2548 B12R1.3 C=CCC(OC)c1ccccc1 7a_100000687291_200000210301 [0,2,0,0,0,0|1,0,0]=3 2549 B12R1.3 C=CCC(O[13CH3])c1ccccc1 34a_100000687291_200025704644 [0,2,0,0,0,0|1,0,0]=3 2550 B12R1.3 C=CCC(O[13CH3])c1ccccc1 7a_100000687291_200025704644 [0,2,0,0,0,0|1,0,0]=3 2551 B12R1.3 C=CCN(CC)c1ccccc1 2230a_100000210013_100000210623 [0,2,0,0,0,0|2,0,0]=4 2552 B12R1.3 C=CCN(CC)c1ccccc1 2230a_100000211662_100000210202 [0,2,0,0,0,0|2,0,0]=4 2553 B12R1.3 C=CCN(CC)c1ccccc1 269982a_100000210013_100000210623 [0,2,0,0,0,0|2,0,0]=4 2554 B12R1.3 C=CCN(CC)c1ccccc1 269982a_100000211662_100000204670 [0,2,0,0,0,0|2,0,0]=4 2555 B12R1.3 C=CCN(CC)c1ccccc1 34a_100000210013_100015514636 [0,2,0,0,0,0|2,0,0]=4 2556 B12R1.3 C=CCN(CC)c1ccccc1 34a_100000211662_100000210202 [0,2,0,0,0,0|2,0,0]=4 2557 B12R1.3 C=CCN(CF)c1ccccc1 269982a_100000211662_100015361967 [0,2,0,0,0,0|2,0,0]=4 2558 B12R1.3 C=CCN(CF)c1ccccc1 34a_100000211662_100015361967 [0,2,0,0,0,0|2,0,0]=4 2559 B12R1.3 CCC(CNC)c1ccccc1 270004a_106832991635_100000753018 [0,2,0,0,0,0|1,0,1]=4 2560 B12R1.3 CCC(COC)c1ccccc1 34a_100000752371_200000210301 [0,2,0,0,0,0|0,0,2]=4 2561 B12R1.3 CCC(COC)c1ccccc1 7a_100000752371_200000210301 [0,2,0,0,0,0|0,0,2]=4 2562 B12R1.3 CCC(CO[13CH3])c1ccccc1 34a_100000752371_200025704644 [0,2,0,0,0,0|0,0,2]=4 2563 B12R1.3 CCC(CO[13CH3])c1ccccc1 7a_100000752371_200025704644 [0,2,0,0,0,0|0,0,2]=4 2564 B12R1.3 CCC(OCF)c1ccccc1 34a_100000698172_100015361967 [0,2,0,0,0,0|1,0,1]=4 2565 B12R1.3 CCC(OCF)c1ccccc1 7a_100000698172_100015361967 [0,2,0,0,0,0|1,0,1]=4 2566 B12R1.3 CCCC(NC)c1ccccc1 2230a_100000189686_200000210301 [0,2,0,0,0,0|1,0,1]=4 2567 B12R1.3 CCCC(NC)c1ccccc1 269862a_106832991636_100000211045 [0,2,0,0,0,0|1,0,1]=4 2568 B12R1.3 CCCC(NC)c1ccccc1 34a_100000189686_200000210301 [0,2,0,0,0,0|1,0,1]=4 2569 B12R1.3 CCCC(N[13CH3])c1ccccc1 2230a_100000189686_200025704644 [0,2,0,0,0,0|1,0,1]=4 2570 B12R1.3 CCCC(N[13CH3])c1ccccc1 34a_100000189686_200025704644 [0,2,0,0,0,0|1,0,1]=4 2571 B12R1.3 CCCC(OC)c1ccccc1 34a_100000747916_200000210301 [0,2,0,0,0,0|1,0,1]=4 2572 B12R1.3 CCCC(OC)c1ccccc1 7a_100000747916_200000210301 [0,2,0,0,0,0|1,0,1]=4 2573 B12R1.3 CCCC(O[13CH3])c1ccccc1 34a_100000747916_200025704644 [0,2,0,0,0,0|1,0,1]=4 2574 B12R1.3 CCCC(O[13CH3])c1ccccc1 7a_100000747916_200025704644 [0,2,0,0,0,0|1,0,1]=4 2575 B12R1.3 CCN(CC=O)c1ccccc1 2230a_100000210013_200015260668 [0,2,0,0,0,0|1,0,0]=3 2576 B12R1.3 CCN(CC=O)c1ccccc1 269982a_100000210013_200015260668 [0,2,0,0,0,0|1,0,0]=3 2577 B12R1.3 CCN(CC=O)c1ccccc1 34a_100000210013_200009817547 [0,2,0,0,0,0|1,0,0]=3 2578 B12R1.3 CCNC(CC)c1ccccc1 2230a_100000737752_100000210202 [0,2,0,0,0,0|1,0,1]=4 2579 B12R1.3 CCNC(CC)c1ccccc1 269862a_100015525214_100000210124 [0,2,0,0,0,0|1,0,1]=4 2580 B12R1.3 CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210202 [0,2,0,0,0,0|0,0,2]=4 2581 B12R1.3 CCN[C@H](CO)c1ccccc1 34a_100000751927_100000210202 [0,2,0,0,0,0|0,0,2]=4 2582 B12R1.3 CCOC(C#N)c1ccccc1 7a_100011217353_100000210202 [0,2,0,0,0,0|1,0,1]=4 2583 B12R1.3 CCOC(CBr)c1ccccc1 7a_100000185958_100000210202 [0,2,0,0,0,0|1,0,1]=4 2584 B12R1.3 CCOC(CC)c1ccccc1 34a_100000698172_100000210202 [0,2,0,0,0,0|1,0,1]=4 2585 B12R1.3 CCOC(CC)c1ccccc1 7a_100000698172_100000210202 [0,2,0,0,0,0|1,0,1]=4 2586 B12R1.3 CCOC(CN)c1ccccc1 34a_100000210709_100000210202 [0,2,0,0,0,0|1,0,1]=4 2587 B12R1.3 CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210202 [0,2,0,0,0,0|1,0,1]=4 2588 B12R1.3 CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210202 [0,2,0,0,0,0|1,0,1]=4 2589 B12R1.3 CNC(CCCl)c1ccccc1 2230a_106832991635_200010132975 [0,2,0,0,0,0|1,0,1]=4 2590 B12R1.3 CNC(CCCl)c1ccccc1 7a_106832991635_200010132975 [0,2,0,0,0,0|1,0,1]=4 2591 B12R1.3 CNC(COC)c1ccccc1 269862a_106832991636_100000765260 [0,2,0,0,0,0|0,0,2]=4 2592 B12R1.3 CN[C@@H](CCO)c1ccccc1 2230a_100025705951_200000210301 [0,2,0,0,0,0|0,0,2]=4 2593 B12R1.3 CN[C@H](COC)c1ccccc1 2230a_103619048568_200000210301 [0,2,0,0,0,0|0,0,2]=4 2594 B12R1.3 CN[C@H](COC)c1ccccc1 34a_103619048568_200000210301 [0,2,0,0,0,0|0,0,2]=4 2595 B12R1.3 COC(CCN)c1ccccc1 34a_100000763605_200000210301 [0,2,0,0,0,0|1,0,1]=4 2596 B12R1.3 COC(CO[13CH3])c1ccccc1 34a_100011215540_200025704644 [0,2,0,0,0,0|0,0,2]=4 2597 B12R1.3 COC(CO[13CH3])c1ccccc1 7a_100011215540_200025704644 [0,2,0,0,0,0|0,0,2]=4 2598 B12R1.3 COCC(OC)c1ccccc1 34a_100011215540_200000210301 [0,2,0,0,0,0|0,0,2]=4 2599 B12R1.3 COCC(OC)c1ccccc1 7a_100011215540_200000210301 [0,2,0,0,0,0|0,0,2]=4 2600 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 2230a_103619048568_200025704644 [0,2,0,0,0,0|0,0,2]=4 2601 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 34a_103619048568_200025704644 [0,2,0,0,0,0|0,0,2]=4 2602 B12R1.3 CO[C@H](CC#N)c1ccccc1 7a_100009817555_200000210301 [0,2,0,0,0,0|1,0,1]=4 2603 B12R1.3 CO[C@H](CCCl)c1ccccc1 34a_100000729684_200000210301 [0,2,0,0,0,0|1,0,1]=4 2604 B12R1.3 CO[C@H](CCCl)c1ccccc1 7a_100000729684_200000210301 [0,2,0,0,0,0|1,0,1]=4 2605 B12R1.3 CSC(CCCl)c1ccccc1 62a_200000210301_200010132975 [0,2,0,0,0,0|1,0,1]=4 2606 B12R1.3 CSC(CCCl)c1ccccc1 62a_200010132975_200000210301 [0,2,0,0,0,0|1,0,1]=4 2607 B12R1.3 FCOC(CBr)c1ccccc1 7a_100000185958_100015361967 [0,2,0,0,0,0|1,0,1]=4 2608 B12R1.3 FCO[C@H](CCl)c1ccccc1 34a_100011933945_100015361967 [0,2,0,0,0,0|1,0,1]=4 2609 B12R1.3 FCO[C@H](CCl)c1ccccc1 7a_100011933945_100015361967 [0,2,0,0,0,0|1,0,1]=4 2610 B12R1.3 N#CC(OCF)c1ccccc1 7a_100011217353_100015361967 [0,2,0,0,0,0|1,0,1]=4 2611 B12R1.3 NCC(OCF)c1ccccc1 34a_100000210709_100015361967 [0,2,0,0,0,0|1,0,1]=4 2612 B12R1.3 OC[C@@H](NCF)c1ccccc1 34a_100000751927_100015361967 [0,2,0,0,0,0|0,0,2]=4 2613 B12R1.3 [13CH3]N[C@@H](CCO)c1ccccc1 2230a_100025705951_200025704644 [0,2,0,0,0,0|0,0,2]=4 2614 B12R1.3 [13CH3]OC(CCN)c1ccccc1 34a_100000763605_200025704644 [0,2,0,0,0,0|1,0,1]=4 2615 B12R1.3 [13CH3]O[C@H](CC#N)c1ccccc1 7a_100009817555_200025704644 [0,2,0,0,0,0|1,0,1]=4 2616 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 34a_100000729684_200025704644 [0,2,0,0,0,0|1,0,1]=4 2617 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 7a_100000729684_200025704644 [0,2,0,0,0,0|1,0,1]=4 2618 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200010132975_200025704644 [0,2,0,0,0,0|1,0,1]=4 2619 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200025704644_200010132975 [0,2,0,0,0,0|1,0,1]=4 2620 B12R1.12 C#CC(OC)c1ccc(cc1)Cl 34a_100011470666_200000210301 [0,2,0,0,0,0|1,0,1]=4 2621 B12R1.12 C#CC(OC)c1ccc(cc1)Cl 7a_100011470666_200000210301 [0,2,0,0,0,0|1,0,1]=4 2622 B12R1.12 C#CC(O[13CH3])c1ccc(cc1)Cl 34a_100011470666_200025704644 [0,2,0,0,0,0|1,0,1]=4 2623 B12R1.12 C#CC(O[13CH3])c1ccc(cc1)Cl 7a_100011470666_200025704644 [0,2,0,0,0,0|1,0,1]=4 2624 B12R1.12 CCC(NC)c1ccc(cc1)Br 269862a_106832991636_100000211647 [0,2,0,0,0,0|1,0,1]=4 2625 B12R1.12 CCC(NC)c1ccc(cc1)C 2230a_100000749201_200000210301 [0,2,0,0,0,0|1,0,1]=4 2626 B12R1.12 CCC(NC)c1ccc(cc1)C 269862a_106832991636_100000185863 [0,2,0,0,0,0|1,0,1]=4 2627 B12R1.12 CCC(NC)c1ccc(cc1)C 34a_100000749201_200000210301 [0,2,0,0,0,0|1,0,1]=4 2628 B12R1.12 CCC(NC)c1ccc(cc1)Cl 269862a_106832991636_100000210983 [0,2,0,0,0,0|1,0,1]=4 2629 B12R1.12 CCC(NC)c1ccc(cc1)F 2230a_100011191751_200000210301 [0,2,0,0,0,0|1,0,1]=4 2630 B12R1.12 CCC(NC)c1ccc(cc1)F 269862a_106832991636_100000211089 [0,2,0,0,0,0|1,0,1]=4 2631 B12R1.12 CCC(NC)c1ccc(cc1)F 34a_100011191751_200000210301 [0,2,0,0,0,0|1,0,1]=4 2632 B12R1.12 CCC(NC)c1ccc(cc1)I 269862a_106832991636_100000763097 [0,2,0,0,0,0|1,0,1]=4 2633 B12R1.12 CCC(NC)c1ccc(cc1)O 271570a_203496583355_100000231127 [0,2,0,0,0,0|1,0,1]=4 2634 B12R1.12 CCC(NC)c1ccc(cc1)O 34a_100015187210_200000210301 [0,2,0,0,0,0|1,0,1]=4 2635 B12R1.12 CCC(N[13CH3])c1ccc(cc1)C 2230a_100000749201_200025704644 [0,2,0,0,0,0|1,0,1]=4 2636 B12R1.12 CCC(N[13CH3])c1ccc(cc1)C 34a_100000749201_200025704644 [0,2,0,0,0,0|1,0,1]=4 2637 B12R1.12 CCC(N[13CH3])c1ccc(cc1)F 2230a_100011191751_200025704644 [0,2,0,0,0,0|1,0,1]=4 2638 B12R1.12 CCC(N[13CH3])c1ccc(cc1)F 34a_100011191751_200025704644 [0,2,0,0,0,0|1,0,1]=4 2639 B12R1.12 CCC(N[13CH3])c1ccc(cc1)O 34a_100015187210_200025704644 [0,2,0,0,0,0|1,0,1]=4 2640 B12R1.12 CCC(OC)c1ccc(cc1)Br 34a_100000246506_200000210301 [0,2,0,0,0,0|1,0,1]=4 2641 B12R1.12 CCC(OC)c1ccc(cc1)Br 7a_100000246506_200000210301 [0,2,0,0,0,0|1,0,1]=4 2642 B12R1.12 CCC(OC)c1ccc(cc1)C 34a_100000246521_200000210301 [0,2,0,0,0,0|1,0,1]=4 2643 B12R1.12 CCC(OC)c1ccc(cc1)C 7a_100000246521_200000210301 [0,2,0,0,0,0|1,0,1]=4 2644 B12R1.12 CCC(OC)c1ccc(cc1)Cl 34a_100000246471_200000210301 [0,2,0,0,0,0|1,0,1]=4 2645 B12R1.12 CCC(OC)c1ccc(cc1)Cl 7a_100000246471_200000210301 [0,2,0,0,0,0|1,0,1]=4 2646 B12R1.12 CCC(OC)c1ccc(cc1)F 34a_100000246474_200000210301 [0,2,0,0,0,0|1,0,1]=4 2647 B12R1.12 CCC(OC)c1ccc(cc1)F 7a_100000246474_200000210301 [0,2,0,0,0,0|1,0,1]=4 2648 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Br 34a_100000246506_200025704644 [0,2,0,0,0,0|1,0,1]=4 2649 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Br 7a_100000246506_200025704644 [0,2,0,0,0,0|1,0,1]=4 2650 B12R1.12 CCC(O[13CH3])c1ccc(cc1)C 34a_100000246521_200025704644 [0,2,0,0,0,0|1,0,1]=4 2651 B12R1.12 CCC(O[13CH3])c1ccc(cc1)C 7a_100000246521_200025704644 [0,2,0,0,0,0|1,0,1]=4 2652 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Cl 34a_100000246471_200025704644 [0,2,0,0,0,0|1,0,1]=4 2653 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Cl 7a_100000246471_200025704644 [0,2,0,0,0,0|1,0,1]=4 2654 B12R1.12 CCC(O[13CH3])c1ccc(cc1)F 34a_100000246474_200025704644 [0,2,0,0,0,0|1,0,1]=4 2655 B12R1.12 CCC(O[13CH3])c1ccc(cc1)F 7a_100000246474_200025704644 [0,2,0,0,0,0|1,0,1]=4 2656 B12R1.12 CC[C@H](NC)c1ccc(cc1)Br 2230a_100025736560_200000210301 [0,2,0,0,0,0|1,0,1]=4 2657 B12R1.12 CC[C@H](NC)c1ccc(cc1)Br 34a_100025736560_200000210301 [0,2,0,0,0,0|1,0,1]=4 2658 B12R1.12 CC[C@H](NC)c1ccc(cc1)Cl 2230a_100015186824_200000210301 [0,2,0,0,0,0|1,0,1]=4 2659 B12R1.12 CC[C@H](NC)c1ccc(cc1)Cl 34a_100015186824_200000210301 [0,2,0,0,0,0|1,0,1]=4 2660 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Br 2230a_100025736560_200025704644 [0,2,0,0,0,0|1,0,1]=4 2661 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Br 34a_100025736560_200025704644 [0,2,0,0,0,0|1,0,1]=4 2662 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015186824_200025704644 [0,2,0,0,0,0|1,0,1]=4 2663 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Cl 34a_100015186824_200025704644 [0,2,0,0,0,0|1,0,1]=4 2664 B12R1.12 CNC(C#N)c1ccc(cc1)Cl 2230a_100000747793_200000210301 [0,2,0,0,0,0|1,0,1]=4 2665 B12R1.12 CNC(C#N)c1ccc(cc1)F 2230a_100020612109_200000210301 [0,2,0,0,0,0|1,0,1]=4 2666 B12R1.12 CNC(C#N)c1ccc(cc1)F 34a_100020612109_200000210301 [0,2,0,0,0,0|1,0,1]=4 2667 B12R1.12 CNC(CO)c1ccc(cc1)Br 2230a_100000734186_200000210301 [0,2,0,0,0,0|0,0,2]=4 2668 B12R1.12 CNC(CO)c1ccc(cc1)Br 34a_100000734186_200000210301 [0,2,0,0,0,0|0,0,2]=4 2669 B12R1.12 CNC(CO)c1ccc(cc1)F 2230a_100000705410_200000210301 [0,2,0,0,0,0|0,0,2]=4 2670 B12R1.12 CNC(CO)c1ccc(cc1)F 34a_100000705410_200000210301 [0,2,0,0,0,0|0,0,2]=4 2671 B12R1.12 CN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_200000210301 [0,2,0,0,0,0|0,0,2]=4 2672 B12R1.12 CN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_200000210301 [0,2,0,0,0,0|0,0,2]=4 2673 B12R1.12 CN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_200000210301 [0,2,0,0,0,0|0,0,2]=4 2674 B12R1.12 CN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_200000210301 [0,2,0,0,0,0|0,0,2]=4 2675 B12R1.12 COC(CCl)c1ccc(cc1)Cl 34a_200011996143_200000210301 [0,2,0,0,0,0|1,0,1]=4 2676 B12R1.12 COC(CCl)c1ccc(cc1)Cl 7a_200011996143_200000210301 [0,2,0,0,0,0|1,0,1]=4 2677 B12R1.12 COC(CN)c1ccc(cc1)Br 34a_100020626992_200000210301 [0,2,0,0,0,0|1,0,1]=4 2678 B12R1.12 COC(CN)c1ccc(cc1)Cl 34a_100000736658_200000210301 [0,2,0,0,0,0|1,0,1]=4 2679 B12R1.12 COC(OC)c1ccc(cc1)O 271570a_203496583355_100009813454 [0,2,0,0,0,0|2,0,0]=4 2680 B12R1.12 CO[C@@H](C#N)c1ccc(cc1)C 34a_200009814964_200000210301 [0,2,0,0,0,0|1,0,1]=4 2681 B12R1.12 CO[C@@H](C#N)c1ccc(cc1)C 7a_200009814964_200000210301 [0,2,0,0,0,0|1,0,1]=4 2682 B12R1.12 CO[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_200000210301 [0,2,0,0,0,0|1,0,1]=4 2683 B12R1.12 CO[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_200000210301 [0,2,0,0,0,0|1,0,1]=4 2684 B12R1.12 Cc1ccc(cc1)[C@H](C#N)O[13CH3] 34a_200009814964_200025704644 [0,2,0,0,0,0|1,0,1]=4 2685 B12R1.12 Cc1ccc(cc1)[C@H](C#N)O[13CH3] 7a_200009814964_200025704644 [0,2,0,0,0,0|1,0,1]=4 2686 B12R1.12 Cc1ccc(cc1)[C@H](CO)N[13CH3] 2230a_100009818840_200025704644 [0,2,0,0,0,0|0,0,2]=4 2687 B12R1.12 Cc1ccc(cc1)[C@H](CO)N[13CH3] 34a_100009818840_200025704644 [0,2,0,0,0,0|0,0,2]=4 2688 B12R1.12 [13CH3]NC(C#N)c1ccc(cc1)Cl 2230a_100000747793_200025704644 [0,2,0,0,0,0|1,0,1]=4 2689 B12R1.12 [13CH3]NC(C#N)c1ccc(cc1)F 2230a_100020612109_200025704644 [0,2,0,0,0,0|1,0,1]=4 2690 B12R1.12 [13CH3]NC(C#N)c1ccc(cc1)F 34a_100020612109_200025704644 [0,2,0,0,0,0|1,0,1]=4 2691 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)Br 2230a_100000734186_200025704644 [0,2,0,0,0,0|0,0,2]=4 2692 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)Br 34a_100000734186_200025704644 [0,2,0,0,0,0|0,0,2]=4 2693 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)F 2230a_100000705410_200025704644 [0,2,0,0,0,0|0,0,2]=4 2694 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)F 34a_100000705410_200025704644 [0,2,0,0,0,0|0,0,2]=4 2695 B12R1.12 [13CH3]N[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_200025704644 [0,2,0,0,0,0|0,0,2]=4 2696 B12R1.12 [13CH3]N[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_200025704644 [0,2,0,0,0,0|0,0,2]=4 2697 B12R1.12 [13CH3]OC(CCl)c1ccc(cc1)Cl 34a_200011996143_200025704644 [0,2,0,0,0,0|1,0,1]=4 2698 B12R1.12 [13CH3]OC(CCl)c1ccc(cc1)Cl 7a_200011996143_200025704644 [0,2,0,0,0,0|1,0,1]=4 2699 B12R1.12 [13CH3]OC(CN)c1ccc(cc1)Br 34a_100020626992_200025704644 [0,2,0,0,0,0|1,0,1]=4 2700 B12R1.12 [13CH3]OC(CN)c1ccc(cc1)Cl 34a_100000736658_200025704644 [0,2,0,0,0,0|1,0,1]=4 2701 B12R1.12 [13CH3]O[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_200025704644 [0,2,0,0,0,0|1,0,1]=4 2702 B12R1.12 [13CH3]O[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_200025704644 [0,2,0,0,0,0|1,0,1]=4 2703 B12R1.13 CCC(NC)c1cccc(c1)Br 269862a_106832991636_100000211677 [0,2,0,0,0,0|1,0,1]=4 2704 B12R1.13 CCC(NC)c1cccc(c1)C 269862a_106832991636_100000730664 [0,2,0,0,0,0|1,0,1]=4 2705 B12R1.13 CCC(NC)c1cccc(c1)Cl 2230a_100000737531_200000210301 [0,2,0,0,0,0|1,0,1]=4 2706 B12R1.13 CCC(NC)c1cccc(c1)Cl 269862a_106832991636_100000211052 [0,2,0,0,0,0|1,0,1]=4 2707 B12R1.13 CCC(NC)c1cccc(c1)Cl 34a_100000737531_200000210301 [0,2,0,0,0,0|1,0,1]=4 2708 B12R1.13 CCC(NC)c1cccc(c1)F 2230a_100159265421_200000210301 [0,2,0,0,0,0|1,0,1]=4 2709 B12R1.13 CCC(NC)c1cccc(c1)F 269862a_106832991636_100000687998 [0,2,0,0,0,0|1,0,1]=4 2710 B12R1.13 CCC(NC)c1cccc(c1)F 34a_100159265421_200000210301 [0,2,0,0,0,0|1,0,1]=4 2711 B12R1.13 CCC(NC)c1cccc(c1)O 2230a_100159312145_200000210301 [0,2,0,0,0,0|1,0,1]=4 2712 B12R1.13 CCC(NC)c1cccc(c1)O 269862a_106832991636_100011996911 [0,2,0,0,0,0|1,0,1]=4 2713 B12R1.13 CCC(NC)c1cccc(c1)O 34a_100159312145_200000210301 [0,2,0,0,0,0|1,0,1]=4 2714 B12R1.13 CCC(N[13CH3])c1cccc(c1)Cl 2230a_100000737531_200025704644 [0,2,0,0,0,0|1,0,1]=4 2715 B12R1.13 CCC(N[13CH3])c1cccc(c1)Cl 34a_100000737531_200025704644 [0,2,0,0,0,0|1,0,1]=4 2716 B12R1.13 CCC(N[13CH3])c1cccc(c1)F 2230a_100159265421_200025704644 [0,2,0,0,0,0|1,0,1]=4 2717 B12R1.13 CCC(N[13CH3])c1cccc(c1)F 34a_100159265421_200025704644 [0,2,0,0,0,0|1,0,1]=4 2718 B12R1.13 CCC(N[13CH3])c1cccc(c1)O 2230a_100159312145_200025704644 [0,2,0,0,0,0|1,0,1]=4 2719 B12R1.13 CCC(N[13CH3])c1cccc(c1)O 34a_100159312145_200025704644 [0,2,0,0,0,0|1,0,1]=4 2720 B12R1.13 CCC(OC)c1cccc(c1)Cl 34a_100000766619_200000210301 [0,2,0,0,0,0|1,0,1]=4 2721 B12R1.13 CCC(OC)c1cccc(c1)Cl 7a_100000766619_200000210301 [0,2,0,0,0,0|1,0,1]=4 2722 B12R1.13 CCC(OC)c1cccc(c1)F 34a_100011350881_200000210301 [0,2,0,0,0,0|1,0,1]=4 2723 B12R1.13 CCC(OC)c1cccc(c1)F 7a_100011350881_200000210301 [0,2,0,0,0,0|1,0,1]=4 2724 B12R1.13 CCC(OC)c1cccc(c1)I 34a_200013212081_200000210301 [0,2,0,0,0,0|1,0,1]=4 2725 B12R1.13 CCC(OC)c1cccc(c1)I 7a_200013212081_200000210301 [0,2,0,0,0,0|1,0,1]=4 2726 B12R1.13 CCC(O[13CH3])c1cccc(c1)Cl 34a_100000766619_200025704644 [0,2,0,0,0,0|1,0,1]=4 2727 B12R1.13 CCC(O[13CH3])c1cccc(c1)Cl 7a_100000766619_200025704644 [0,2,0,0,0,0|1,0,1]=4 2728 B12R1.13 CCC(O[13CH3])c1cccc(c1)F 34a_100011350881_200025704644 [0,2,0,0,0,0|1,0,1]=4 2729 B12R1.13 CCC(O[13CH3])c1cccc(c1)F 7a_100011350881_200025704644 [0,2,0,0,0,0|1,0,1]=4 2730 B12R1.13 CCC(O[13CH3])c1cccc(c1)I 34a_200013212081_200025704644 [0,2,0,0,0,0|1,0,1]=4 2731 B12R1.13 CCC(O[13CH3])c1cccc(c1)I 7a_200013212081_200025704644 [0,2,0,0,0,0|1,0,1]=4 2732 B12R1.13 CC[C@@H](NC)c1cccc(c1)C 2230a_200016991486_200000210301 [0,2,0,0,0,0|1,0,1]=4 2733 B12R1.13 CC[C@@H](NC)c1cccc(c1)C 34a_200016991486_200000210301 [0,2,0,0,0,0|1,0,1]=4 2734 B12R1.13 CC[C@@H](N[13CH3])c1cccc(c1)C 2230a_200016991486_200025704644 [0,2,0,0,0,0|1,0,1]=4 2735 B12R1.13 CC[C@@H](N[13CH3])c1cccc(c1)C 34a_200016991486_200025704644 [0,2,0,0,0,0|1,0,1]=4 2736 B12R1.13 CC[C@H](NC)c1cccc(c1)Br 2230a_100102422761_200000210301 [0,2,0,0,0,0|1,0,1]=4 2737 B12R1.13 CC[C@H](NC)c1cccc(c1)Br 34a_100102422761_200000210301 [0,2,0,0,0,0|1,0,1]=4 2738 B12R1.13 CC[C@H](N[13CH3])c1cccc(c1)Br 2230a_100102422761_200025704644 [0,2,0,0,0,0|1,0,1]=4 2739 B12R1.13 CC[C@H](N[13CH3])c1cccc(c1)Br 34a_100102422761_200025704644 [0,2,0,0,0,0|1,0,1]=4 2740 B12R1.13 CNC(CO)c1cccc(c1)Br 2230a_100000690078_200000210301 [0,2,0,0,0,0|0,0,2]=4 2741 B12R1.13 CNC(CO)c1cccc(c1)Br 34a_100000690078_200000210301 [0,2,0,0,0,0|0,0,2]=4 2742 B12R1.13 CNC(CO)c1cccc(c1)O 2230a_100025717460_200000210301 [0,2,0,0,0,0|0,0,2]=4 2743 B12R1.13 CNC(CO)c1cccc(c1)O 34a_100025717460_200000210301 [0,2,0,0,0,0|0,0,2]=4 2744 B12R1.13 CN[C@@H](CO)c1cccc(c1)Cl 2230a_100032004910_200000210301 [0,2,0,0,0,0|0,0,2]=4 2745 B12R1.13 CN[C@@H](CO)c1cccc(c1)Cl 34a_100032004910_200000210301 [0,2,0,0,0,0|0,0,2]=4 2746 B12R1.13 CN[C@H](CO)c1cccc(c1)C 2230a_100009818812_200000210301 [0,2,0,0,0,0|0,0,2]=4 2747 B12R1.13 CN[C@H](CO)c1cccc(c1)C 34a_100009818812_200000210301 [0,2,0,0,0,0|0,0,2]=4 2748 B12R1.13 CN[C@H](CO)c1cccc(c1)F 2230a_100020641251_200000210301 [0,2,0,0,0,0|0,0,2]=4 2749 B12R1.13 CN[C@H](CO)c1cccc(c1)F 34a_100020641251_200000210301 [0,2,0,0,0,0|0,0,2]=4 2750 B12R1.13 COC(OC)c1cccc(c1)O 271570a_203496583355_100009816312 [0,2,0,0,0,0|2,0,0]=4 2751 B12R1.13 Cc1cccc(c1)[C@@H](CO)N[13CH3] 2230a_100009818812_200025704644 [0,2,0,0,0,0|0,0,2]=4 2752 B12R1.13 Cc1cccc(c1)[C@@H](CO)N[13CH3] 34a_100009818812_200025704644 [0,2,0,0,0,0|0,0,2]=4 2753 B12R1.13 [13CH3]NC(CO)c1cccc(c1)Br 2230a_100000690078_200025704644 [0,2,0,0,0,0|0,0,2]=4 2754 B12R1.13 [13CH3]NC(CO)c1cccc(c1)Br 34a_100000690078_200025704644 [0,2,0,0,0,0|0,0,2]=4 2755 B12R1.13 [13CH3]NC(CO)c1cccc(c1)O 2230a_100025717460_200025704644 [0,2,0,0,0,0|0,0,2]=4 2756 B12R1.13 [13CH3]NC(CO)c1cccc(c1)O 34a_100025717460_200025704644 [0,2,0,0,0,0|0,0,2]=4 2757 B12R1.13 [13CH3]N[C@@H](CO)c1cccc(c1)Cl 2230a_100032004910_200025704644 [0,2,0,0,0,0|0,0,2]=4 2758 B12R1.13 [13CH3]N[C@@H](CO)c1cccc(c1)Cl 34a_100032004910_200025704644 [0,2,0,0,0,0|0,0,2]=4 2759 B12R1.13 [13CH3]N[C@H](CO)c1cccc(c1)F 2230a_100020641251_200025704644 [0,2,0,0,0,0|0,0,2]=4 2760 B12R1.13 [13CH3]N[C@H](CO)c1cccc(c1)F 34a_100020641251_200025704644 [0,2,0,0,0,0|0,0,2]=4 2761 B12R1.243 CCC(NC)c1ccccc1C 269862a_106832991636_100011350723 [0,2,0,0,0,0|1,0,1]=4 2762 B12R1.243 CCC(NC)c1ccccc1Cl 269862a_106832991636_100011400563 [0,2,0,0,0,0|1,0,1]=4 2763 B12R1.243 CCC(NC)c1ccccc1F 269862a_106832991636_100000686739 [0,2,0,0,0,0|1,0,1]=4 2764 B12R1.243 CCC(OC)c1ccccc1F 34a_200011689290_200000210301 [0,2,0,0,0,0|1,0,1]=4 2765 B12R1.243 CCC(OC)c1ccccc1F 7a_200011689290_200000210301 [0,2,0,0,0,0|1,0,1]=4 2766 B12R1.243 CCC(O[13CH3])c1ccccc1F 34a_200011689290_200025704644 [0,2,0,0,0,0|1,0,1]=4 2767 B12R1.243 CCC(O[13CH3])c1ccccc1F 7a_200011689290_200025704644 [0,2,0,0,0,0|1,0,1]=4 2768 B12R1.243 CC[C@H](NC)c1ccccc1Cl 2230a_200016987949_200000210301 [0,2,0,0,0,0|1,0,1]=4 2769 B12R1.243 CC[C@H](NC)c1ccccc1Cl 34a_200016987949_200000210301 [0,2,0,0,0,0|1,0,1]=4 2770 B12R1.243 CC[C@H](NC)c1ccccc1F 2230a_100015190424_200000210301 [0,2,0,0,0,0|1,0,1]=4 2771 B12R1.243 CC[C@H](NC)c1ccccc1F 34a_100015190424_200000210301 [0,2,0,0,0,0|1,0,1]=4 2772 B12R1.243 CC[C@H](N[13CH3])c1ccccc1Cl 2230a_200016987949_200025704644 [0,2,0,0,0,0|1,0,1]=4 2773 B12R1.243 CC[C@H](N[13CH3])c1ccccc1Cl 34a_200016987949_200025704644 [0,2,0,0,0,0|1,0,1]=4 2774 B12R1.243 CC[C@H](N[13CH3])c1ccccc1F 2230a_100015190424_200025704644 [0,2,0,0,0,0|1,0,1]=4 2775 B12R1.243 CC[C@H](N[13CH3])c1ccccc1F 34a_100015190424_200025704644 [0,2,0,0,0,0|1,0,1]=4 2776 B12R1.243 CNC(C#N)c1ccccc1C 2230a_102495364774_200000210301 [0,2,0,0,0,0|1,0,1]=4 2777 B12R1.243 CNC(CO)c1ccccc1Cl 2230a_100138412506_200000210301 [0,2,0,0,0,0|0,0,2]=4 2778 B12R1.243 CNC(CO)c1ccccc1Cl 34a_100138412506_200000210301 [0,2,0,0,0,0|0,0,2]=4 2779 B12R1.243 CN[C@@H](CO)c1ccccc1F 2230a_100009818778_200000210301 [0,2,0,0,0,0|0,0,2]=4 2780 B12R1.243 CN[C@@H](CO)c1ccccc1F 34a_100009818778_200000210301 [0,2,0,0,0,0|0,0,2]=4 2781 B12R1.243 CN[C@H](CO)c1ccccc1Br 2230a_100161155918_200000210301 [0,2,0,0,0,0|0,0,2]=4 2782 B12R1.243 CN[C@H](CO)c1ccccc1Br 34a_100161155918_200000210301 [0,2,0,0,0,0|0,0,2]=4 2783 B12R1.243 COC(C#N)c1ccccc1Cl 7a_200011294979_200000210301 [0,2,0,0,0,0|1,0,1]=4 2784 B12R1.243 COC(CN)c1ccccc1Br 34a_100011236429_200000210301 [0,2,0,0,0,0|1,0,1]=4 2785 B12R1.243 COC(CN)c1ccccc1Cl 34a_200000759403_200000210301 [0,2,0,0,0,0|1,0,1]=4 2786 B12R1.243 COC(OC)c1ccccc1O 271570a_203496583355_100010185899 [0,2,0,0,0,0|2,0,0]=4 2787 B12R1.243 CSC(C#N)c1ccccc1Br 62a_200000210301_200011581958 [0,2,0,0,0,0|1,0,1]=4 2788 B12R1.243 CSC(C#N)c1ccccc1Br 62a_200011581958_200000210301 [0,2,0,0,0,0|1,0,1]=4 2789 B12R1.243 Cc1ccccc1C(C#N)N[13CH3] 2230a_102495364774_200025704644 [0,2,0,0,0,0|1,0,1]=4 2790 B12R1.243 [13CH3]NC(CO)c1ccccc1Cl 2230a_100138412506_200025704644 [0,2,0,0,0,0|0,0,2]=4 2791 B12R1.243 [13CH3]NC(CO)c1ccccc1Cl 34a_100138412506_200025704644 [0,2,0,0,0,0|0,0,2]=4 2792 B12R1.243 [13CH3]N[C@@H](CO)c1ccccc1F 2230a_100009818778_200025704644 [0,2,0,0,0,0|0,0,2]=4 2793 B12R1.243 [13CH3]N[C@@H](CO)c1ccccc1F 34a_100009818778_200025704644 [0,2,0,0,0,0|0,0,2]=4 2794 B12R1.243 [13CH3]N[C@H](CO)c1ccccc1Br 2230a_100161155918_200025704644 [0,2,0,0,0,0|0,0,2]=4 2795 B12R1.243 [13CH3]N[C@H](CO)c1ccccc1Br 34a_100161155918_200025704644 [0,2,0,0,0,0|0,0,2]=4 2796 B12R1.243 [13CH3]OC(C#N)c1ccccc1Cl 7a_200011294979_200025704644 [0,2,0,0,0,0|1,0,1]=4 2797 B12R1.243 [13CH3]OC(CN)c1ccccc1Br 34a_100011236429_200025704644 [0,2,0,0,0,0|1,0,1]=4 2798 B12R1.243 [13CH3]OC(CN)c1ccccc1Cl 34a_200000759403_200025704644 [0,2,0,0,0,0|1,0,1]=4 2799 B12R1.243 [13CH3]SC(C#N)c1ccccc1Br 62a_200011581958_200025704644 [0,2,0,0,0,0|1,0,1]=4 2800 B12R1.243 [13CH3]SC(C#N)c1ccccc1Br 62a_200025704644_200011581958 [0,2,0,0,0,0|1,0,1]=4 2801 B12R1.478 C=C(C)C(OC)c1ccccc1 34a_200011216824_200000210301 [0,2,0,0,0,0|1,0,0]=3 2802 B12R1.478 C=C(C)C(OC)c1ccccc1 7a_200011216824_200000210301 [0,2,0,0,0,0|1,0,0]=3 2803 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 34a_200011216824_200025704644 [0,2,0,0,0,0|1,0,0]=3 2804 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 7a_200011216824_200025704644 [0,2,0,0,0,0|1,0,0]=3 2805 B12R1.478 C=CC(c1ccccc1)N(C)C 2230a_100102631434_200000085779 [0,2,0,0,0,0|1,0,0]=3 2806 B12R1.478 C=CC(c1ccccc1)N(C)C 269982a_100102631434_200000085779 [0,2,0,0,0,0|1,0,0]=3 2807 B12R1.478 CC(=O)C(CO)c1ccccc1 1458a_100011218805_200000210301 [0,2,0,0,0,0|0,0,0]=2 2808 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_100009888967_200025704644 [0,2,0,0,0,0|0,0,0]=2 2809 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100009888967 [0,2,0,0,0,0|0,0,0]=2 2810 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 34a_200011217822_200025704644 [0,2,0,0,0,0|1,0,1]=4 2811 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 7a_200011217822_200025704644 [0,2,0,0,0,0|1,0,1]=4 2812 B12R1.478 CC(C)[C@H](N[13CH3])c1ccccc1 2230a_100015186014_200025704644 [0,2,0,0,0,0|1,0,1]=4 2813 B12R1.478 CC(C)[C@H](N[13CH3])c1ccccc1 34a_100015186014_200025704644 [0,2,0,0,0,0|1,0,1]=4 2814 B12R1.478 CCC(C(=O)C)c1ccccc1 1458a_100000211302_200000210301 [0,2,0,0,0,0|0,0,0]=2 2815 B12R1.478 CCC(C(=O)[13CH3])c1ccccc1 1458a_100000211302_200025704644 [0,2,0,0,0,0|0,0,0]=2 2816 B12R1.478 CCC(c1ccccc1)N(C)C 2230a_100000737544_200000210301 [0,2,0,0,0,0|1,0,1]=4 2817 B12R1.478 CCC(c1ccccc1)N(C)C 269982a_100000737544_200000210301 [0,2,0,0,0,0|1,0,1]=4 2818 B12R1.478 CCC(c1ccccc1)N(C)[13CH3] 2230a_100000737544_200025704644 [0,2,0,0,0,0|1,0,1]=4 2819 B12R1.478 CCC(c1ccccc1)N(C)[13CH3] 269982a_100000737544_200025704644 [0,2,0,0,0,0|1,0,1]=4 2820 B12R1.478 CCN(C(=O)C)c1ccccc1 11a_100000210013_100015343762 [0,2,0,0,0,0|1,0,0]=3 2821 B12R1.478 CCN(C(=O)C)c1ccccc1 1626a_100000210013_100015343762 [0,2,0,0,0,0|1,0,0]=3 2822 B12R1.478 CCN(C(=O)C)c1ccccc1 22a_100000210013_100000070787 [0,2,0,0,0,0|1,0,0]=3 2823 B12R1.478 CNC(C(=O)C)c1ccccc1 2230a_106832991635_100009888967 [0,2,0,0,0,0|0,0,0]=2 2824 B12R1.478 CNC(C(=O)C)c1ccccc1 7a_106832991635_100009888967 [0,2,0,0,0,0|0,0,0]=2 2825 B12R1.478 CNC(C(=O)N)c1ccccc1 2230a_106832991635_100000188848 [0,2,0,0,0,0|0,0,0]=2 2826 B12R1.478 CNC(C(=O)N)c1ccccc1 7a_106832991635_100000188848 [0,2,0,0,0,0|0,0,0]=2 2827 B12R1.478 CNC(C(=O)O)c1ccccc1 269956a_100000230147_200000210301 [0,2,0,0,0,0|0,0,0]=2 2828 B12R1.478 CNC(C(=O)O)c1ccccn1 269956a_200016167988_200000210301 [0,2,0,0,0,0|1,0,0]=3 2829 B12R1.478 CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200000210301 [0,2,0,0,0,0|0,0,0]=2 2830 B12R1.478 CN[C@@H](C(=O)O)C1=CCC=CC1 269956a_100016989015_200000210301 [0,2,0,0,0,0|0,0,2]=4 2831 B12R1.478 CN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_200000210301 [0,2,0,0,0,0|0,0,2]=4 2832 B12R1.478 CN[C@H](c1ccccc1)C(C)C 2230a_100015186014_200000210301 [0,2,0,0,0,0|1,0,1]=4 2833 B12R1.478 CN[C@H](c1ccccc1)C(C)C 34a_100015186014_200000210301 [0,2,0,0,0,0|1,0,1]=4 2834 B12R1.478 COC(C(=O)N)c1ccccc1 34a_100011200849_200000210301 [0,2,0,0,0,0|0,0,0]=2 2835 B12R1.478 COC(C(=O)N)c1ccccc1 7a_100011200849_200000210301 [0,2,0,0,0,0|0,0,0]=2 2836 B12R1.478 COC(c1ccccc1)C(C)C 34a_200011217822_200000210301 [0,2,0,0,0,0|1,0,1]=4 2837 B12R1.478 COC(c1ccccc1)C(C)C 7a_200011217822_200000210301 [0,2,0,0,0,0|1,0,1]=4 2838 B12R1.478 CO[C@@H](C(=O)C)c1ccccc1 1458a_100000698336_200000210301 [0,2,0,0,0,0|0,0,0]=2 2839 B12R1.478 CO[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100000698336_200025704644 [0,2,0,0,0,0|0,0,0]=2 2840 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_100009888967_200000210301 [0,2,0,0,0,0|0,0,0]=2 2841 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_200000210301_100009888967 [0,2,0,0,0,0|0,0,0]=2 2842 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_100000188848_200000210301 [0,2,0,0,0,0|0,0,0]=2 2843 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_200000210301_100000188848 [0,2,0,0,0,0|0,0,0]=2 2844 B12R1.478 C[C@H](O)[C@@H](N[13CH3])c1ccccc1 2230a_100134616770_200025704644 [0,2,0,0,0,0|0,0,2]=4 2845 B12R1.478 [13CH3]C(=O)C(CO)c1ccccc1 1458a_100011218805_200025704644 [0,2,0,0,0,0|0,0,0]=2 2846 B12R1.478 [13CH3]NC(C(=O)O)c1ccccc1 269956a_100000230147_200025704644 [0,2,0,0,0,0|0,0,0]=2 2847 B12R1.478 [13CH3]NC(C(=O)O)c1ccccn1 269956a_200016167988_200025704644 [0,2,0,0,0,0|1,0,0]=3 2848 B12R1.478 [13CH3]N[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200025704644 [0,2,0,0,0,0|0,0,0]=2 2849 B12R1.478 [13CH3]N[C@@H](C(=O)O)C1=CCC=CC1 269956a_100016989015_200025704644 [0,2,0,0,0,0|0,0,2]=4 2850 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 34a_100011200849_200025704644 [0,2,0,0,0,0|0,0,0]=2 2851 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 7a_100011200849_200025704644 [0,2,0,0,0,0|0,0,0]=2 2852 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_100000188848_200025704644 [0,2,0,0,0,0|0,0,0]=2 2853 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_200025704644_100000188848 [0,2,0,0,0,0|0,0,0]=2 2854 B12R1.16 C=CCC(O)c1ccc(cc1)O 271570a_203496583355_100011466436 [0,2,0,0,0,0|2,0,0]=4 2855 B12R1.16 C=CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210623 [0,2,0,0,0,0|2,0,0]=4 2856 B12R1.16 C=CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000210623 [0,2,0,0,0,0|2,0,0]=4 2857 B12R1.16 C=CCN(C)c1ccc(cc1)Br 34a_100000219623_100015514636 [0,2,0,0,0,0|2,0,0]=4 2858 B12R1.16 C=CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210623 [0,2,0,0,0,0|2,0,0]=4 2859 B12R1.16 C=CCN(C)c1ccc(cc1)C 269982a_100000219977_100000210623 [0,2,0,0,0,0|2,0,0]=4 2860 B12R1.16 C=CCN(C)c1ccc(cc1)C 34a_100000219977_100015514636 [0,2,0,0,0,0|2,0,0]=4 2861 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210623 [0,2,0,0,0,0|2,0,0]=4 2862 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210623 [0,2,0,0,0,0|2,0,0]=4 2863 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 34a_100020629279_100015514636 [0,2,0,0,0,0|2,0,0]=4 2864 B12R1.16 C=CCN(C)c1ccc(cc1)F 2230a_100000219829_100000210623 [0,2,0,0,0,0|2,0,0]=4 2865 B12R1.16 C=CCN(C)c1ccc(cc1)F 269982a_100000219829_100000210623 [0,2,0,0,0,0|2,0,0]=4 2866 B12R1.16 C=CCN(C)c1ccc(cc1)F 34a_100000219829_100015514636 [0,2,0,0,0,0|2,0,0]=4 2867 B12R1.16 C=CCN(C)c1ccc(cc1)I 2230a_100000743151_100000210623 [0,2,0,0,0,0|2,0,0]=4 2868 B12R1.16 C=CCN(C)c1ccc(cc1)I 269982a_100000743151_100000210623 [0,2,0,0,0,0|2,0,0]=4 2869 B12R1.16 C=CCN(C)c1ccc(cc1)I 34a_100000743151_100015514636 [0,2,0,0,0,0|2,0,0]=4 2870 B12R1.16 C=CCN(C)c1ccc(cc1)O 269982a_100000182112_100000210623 [0,2,0,0,0,0|2,0,0]=4 2871 B12R1.16 C=CCN(C)c1ccc(cc1)O 34a_100000182112_100015514636 [0,2,0,0,0,0|2,0,0]=4 2872 B12R1.16 CC(CN[13CH3])c1ccc(cc1)O 34a_200015188644_200025704644 [0,2,0,0,0,0|1,0,1]=4 2873 B12R1.16 CC(OCF)c1ccc(cc1)Br 34a_100000745893_100015361967 [0,2,0,0,0,0|1,0,1]=4 2874 B12R1.16 CC(OCF)c1ccc(cc1)Br 7a_100000745893_100015361967 [0,2,0,0,0,0|1,0,1]=4 2875 B12R1.16 CC(OCF)c1ccc(cc1)F 34a_100000181323_100015361967 [0,2,0,0,0,0|1,0,1]=4 2876 B12R1.16 CC(OCF)c1ccc(cc1)F 7a_100000181323_100015361967 [0,2,0,0,0,0|1,0,1]=4 2877 B12R1.16 CC(OCF)c1ccc(cc1)N 34a_100011216399_100015361967 [0,2,0,0,0,0|1,0,1]=4 2878 B12R1.16 CC(SCF)c1ccc(cc1)Br 62a_100000755118_100015361967 [0,2,0,0,0,0|1,0,1]=4 2879 B12R1.16 CC(SCF)c1ccc(cc1)Br 62a_100015361967_100000755118 [0,2,0,0,0,0|1,0,1]=4 2880 B12R1.16 CC(SCF)c1ccc(cc1)Cl 62a_100000684792_100015361967 [0,2,0,0,0,0|1,0,1]=4 2881 B12R1.16 CC(SCF)c1ccc(cc1)Cl 62a_100015361967_100000684792 [0,2,0,0,0,0|1,0,1]=4 2882 B12R1.16 CC(SCF)c1ccc(cc1)F 62a_100000743420_100015361967 [0,2,0,0,0,0|1,0,1]=4 2883 B12R1.16 CC(SCF)c1ccc(cc1)F 62a_100015361967_100000743420 [0,2,0,0,0,0|1,0,1]=4 2884 B12R1.16 CCNC(C)c1ccc(cc1)Br 2230a_100015525214_100000755118 [0,2,0,0,0,0|1,0,1]=4 2885 B12R1.16 CCNC(C)c1ccc(cc1)Br 269862a_100015525214_100000185794 [0,2,0,0,0,0|1,0,1]=4 2886 B12R1.16 CCNC(C)c1ccc(cc1)C 2230a_100015525214_100011261388 [0,2,0,0,0,0|1,0,1]=4 2887 B12R1.16 CCNC(C)c1ccc(cc1)C 269862a_100015525214_100000185793 [0,2,0,0,0,0|1,0,1]=4 2888 B12R1.16 CCNC(C)c1ccc(cc1)Cl 2230a_100015525214_100000684792 [0,2,0,0,0,0|1,0,1]=4 2889 B12R1.16 CCNC(C)c1ccc(cc1)Cl 269862a_100015525214_100000185797 [0,2,0,0,0,0|1,0,1]=4 2890 B12R1.16 CCNC(C)c1ccc(cc1)F 2230a_100015525214_100000743420 [0,2,0,0,0,0|1,0,1]=4 2891 B12R1.16 CCNC(C)c1ccc(cc1)F 269862a_100015525214_100000185800 [0,2,0,0,0,0|1,0,1]=4 2892 B12R1.16 CCNC(C)c1ccc(cc1)I 269862a_100015525214_100000185465 [0,2,0,0,0,0|1,0,1]=4 2893 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210202 [0,2,0,0,0,0|1,0,1]=4 2894 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210202 [0,2,0,0,0,0|1,0,1]=4 2895 B12R1.16 CCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210202 [0,2,0,0,0,0|1,0,1]=4 2896 B12R1.16 CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210202 [0,2,0,0,0,0|1,0,1]=4 2897 B12R1.16 CCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210202 [0,2,0,0,0,0|1,0,1]=4 2898 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210202 [0,2,0,0,0,0|1,0,1]=4 2899 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210202 [0,2,0,0,0,0|1,0,1]=4 2900 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210202 [0,2,0,0,0,0|1,0,1]=4 2901 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210202 [0,2,0,0,0,0|1,0,1]=4 2902 B12R1.16 CCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210202 [0,2,0,0,0,0|1,0,1]=4 2903 B12R1.16 CCOC(C)c1ccc(cc1)Br 34a_100121572206_100000755118 [0,2,0,0,0,0|1,0,1]=4 2904 B12R1.16 CCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210202 [0,2,0,0,0,0|1,0,1]=4 2905 B12R1.16 CCOC(C)c1ccc(cc1)C 34a_100121572206_100011261388 [0,2,0,0,0,0|1,0,1]=4 2906 B12R1.16 CCOC(C)c1ccc(cc1)F 34a_100000181323_100000210202 [0,2,0,0,0,0|1,0,1]=4 2907 B12R1.16 CCOC(C)c1ccc(cc1)F 34a_100121572206_100000743420 [0,2,0,0,0,0|1,0,1]=4 2908 B12R1.16 CCOC(C)c1ccc(cc1)F 7a_100000181323_100000210202 [0,2,0,0,0,0|1,0,1]=4 2909 B12R1.16 CCOC(C)c1ccc(cc1)N 34a_100011216399_100000210202 [0,2,0,0,0,0|1,0,1]=4 2910 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210202 [0,2,0,0,0,0|1,0,1]=4 2911 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210202 [0,2,0,0,0,0|1,0,1]=4 2912 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210202 [0,2,0,0,0,0|1,0,1]=4 2913 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210202 [0,2,0,0,0,0|1,0,1]=4 2914 B12R1.16 CCSC(C)c1ccc(cc1)Br 62a_100000210202_100000755118 [0,2,0,0,0,0|1,0,1]=4 2915 B12R1.16 CCSC(C)c1ccc(cc1)Br 62a_100000755118_100000210202 [0,2,0,0,0,0|1,0,1]=4 2916 B12R1.16 CCSC(C)c1ccc(cc1)C 62a_100000210202_100011261388 [0,2,0,0,0,0|1,0,1]=4 2917 B12R1.16 CCSC(C)c1ccc(cc1)C 62a_100011261388_100000210202 [0,2,0,0,0,0|1,0,1]=4 2918 B12R1.16 CCSC(C)c1ccc(cc1)Cl 62a_100000210202_100000684792 [0,2,0,0,0,0|1,0,1]=4 2919 B12R1.16 CCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210202 [0,2,0,0,0,0|1,0,1]=4 2920 B12R1.16 CCSC(C)c1ccc(cc1)F 62a_100000210202_100000743420 [0,2,0,0,0,0|1,0,1]=4 2921 B12R1.16 CCSC(C)c1ccc(cc1)F 62a_100000743420_100000210202 [0,2,0,0,0,0|1,0,1]=4 2922 B12R1.16 CN(CC=O)c1ccc(cc1)Br 2230a_100000219623_200015260668 [0,2,0,0,0,0|1,0,0]=3 2923 B12R1.16 CN(CC=O)c1ccc(cc1)Br 269982a_100000219623_200015260668 [0,2,0,0,0,0|1,0,0]=3 2924 B12R1.16 CN(CC=O)c1ccc(cc1)Br 34a_100000219623_200009817547 [0,2,0,0,0,0|1,0,0]=3 2925 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 2230a_100020629279_200015260668 [0,2,0,0,0,0|1,0,0]=3 2926 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 269982a_100020629279_200015260668 [0,2,0,0,0,0|1,0,0]=3 2927 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 34a_100020629279_200009817547 [0,2,0,0,0,0|1,0,0]=3 2928 B12R1.16 CN(CC=O)c1ccc(cc1)F 2230a_100000219829_200015260668 [0,2,0,0,0,0|1,0,0]=3 2929 B12R1.16 CN(CC=O)c1ccc(cc1)F 269982a_100000219829_200015260668 [0,2,0,0,0,0|1,0,0]=3 2930 B12R1.16 CN(CC=O)c1ccc(cc1)F 34a_100000219829_200009817547 [0,2,0,0,0,0|1,0,0]=3 2931 B12R1.16 CN(CC=O)c1ccc(cc1)I 2230a_100000743151_200015260668 [0,2,0,0,0,0|1,0,0]=3 2932 B12R1.16 CN(CC=O)c1ccc(cc1)I 269982a_100000743151_200015260668 [0,2,0,0,0,0|1,0,0]=3 2933 B12R1.16 CN(CC=O)c1ccc(cc1)I 34a_100000743151_200009817547 [0,2,0,0,0,0|1,0,0]=3 2934 B12R1.16 CN(CC=O)c1ccc(cc1)O 269982a_100000182112_200015260668 [0,2,0,0,0,0|1,0,0]=3 2935 B12R1.16 CN(CC=O)c1ccc(cc1)O 34a_100000182112_200009817547 [0,2,0,0,0,0|1,0,0]=3 2936 B12R1.16 CNCC(C)c1ccc(cc1)O 34a_200015188644_200000210301 [0,2,0,0,0,0|1,0,1]=4 2937 B12R1.16 C[C@@H](NCF)c1ccc(cc1)Cl 34a_100015205461_100015361967 [0,2,0,0,0,0|1,0,1]=4 2938 B12R1.16 C[C@H](NCF)c1ccc(cc1)F 34a_100025705893_100015361967 [0,2,0,0,0,0|1,0,1]=4 2939 B12R1.16 C[C@H](OCF)c1ccc(cc1)Cl 34a_100011852131_100015361967 [0,2,0,0,0,0|1,0,1]=4 2940 B12R1.16 C[C@H](OCF)c1ccc(cc1)Cl 7a_100011852131_100015361967 [0,2,0,0,0,0|1,0,1]=4 2941 B12R1.16 Cc1ccc(cc1)C(C)SCF 62a_100011261388_100015361967 [0,2,0,0,0,0|1,0,1]=4 2942 B12R1.16 Cc1ccc(cc1)C(C)SCF 62a_100015361967_100011261388 [0,2,0,0,0,0|1,0,1]=4 2943 B12R1.16 Cc1ccc(cc1)N(C)CC=O 2230a_100000219977_200015260668 [0,2,0,0,0,0|1,0,0]=3 2944 B12R1.16 Cc1ccc(cc1)N(C)CC=O 269982a_100000219977_200015260668 [0,2,0,0,0,0|1,0,0]=3 2945 B12R1.16 Cc1ccc(cc1)N(C)CC=O 34a_100000219977_200009817547 [0,2,0,0,0,0|1,0,0]=3 2946 B12R1.16 Cc1ccc(cc1)[C@@H](C)NCF 34a_100016988085_100015361967 [0,2,0,0,0,0|1,0,1]=4 2947 B12R1.16 Cc1ccc(cc1)[C@@H](C)OCF 34a_100000690690_100015361967 [0,2,0,0,0,0|1,0,1]=4 2948 B12R1.16 Cc1ccc(cc1)[C@@H](C)OCF 7a_100000690690_100015361967 [0,2,0,0,0,0|1,0,1]=4 2949 B12R1.17 C=CCN(C)c1cccc(c1)Br 2230a_100000219648_100000210623 [0,2,0,0,0,0|2,0,0]=4 2950 B12R1.17 C=CCN(C)c1cccc(c1)Br 269982a_100000219648_100000210623 [0,2,0,0,0,0|2,0,0]=4 2951 B12R1.17 C=CCN(C)c1cccc(c1)Br 34a_100000219648_100015514636 [0,2,0,0,0,0|2,0,0]=4 2952 B12R1.17 C=CCN(C)c1cccc(c1)C 2230a_100000219674_100000210623 [0,2,0,0,0,0|2,0,0]=4 2953 B12R1.17 C=CCN(C)c1cccc(c1)C 269982a_100000219674_100000210623 [0,2,0,0,0,0|2,0,0]=4 2954 B12R1.17 C=CCN(C)c1cccc(c1)C 34a_100000219674_100015514636 [0,2,0,0,0,0|2,0,0]=4 2955 B12R1.17 C=CCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210623 [0,2,0,0,0,0|2,0,0]=4 2956 B12R1.17 C=CCN(C)c1cccc(c1)Cl 269982a_100000220044_100000210623 [0,2,0,0,0,0|2,0,0]=4 2957 B12R1.17 C=CCN(C)c1cccc(c1)Cl 34a_100000220044_100015514636 [0,2,0,0,0,0|2,0,0]=4 2958 B12R1.17 C=CCN(C)c1cccc(c1)F 2230a_100020633736_100000210623 [0,2,0,0,0,0|2,0,0]=4 2959 B12R1.17 C=CCN(C)c1cccc(c1)F 269982a_100020633736_100000210623 [0,2,0,0,0,0|2,0,0]=4 2960 B12R1.17 C=CCN(C)c1cccc(c1)F 34a_100020633736_100015514636 [0,2,0,0,0,0|2,0,0]=4 2961 B12R1.17 C=CCN(C)c1cccc(c1)I 2230a_100000221217_100000210623 [0,2,0,0,0,0|2,0,0]=4 2962 B12R1.17 C=CCN(C)c1cccc(c1)I 269982a_100000221217_100000210623 [0,2,0,0,0,0|2,0,0]=4 2963 B12R1.17 C=CCN(C)c1cccc(c1)I 34a_100000221217_100015514636 [0,2,0,0,0,0|2,0,0]=4 2964 B12R1.17 C=CCN(C)c1cccc(c1)O 2230a_100000756613_100000210623 [0,2,0,0,0,0|2,0,0]=4 2965 B12R1.17 C=CCN(C)c1cccc(c1)O 269982a_100000756613_100000210623 [0,2,0,0,0,0|2,0,0]=4 2966 B12R1.17 C=CCN(C)c1cccc(c1)O 34a_100000756613_100015514636 [0,2,0,0,0,0|2,0,0]=4 2967 B12R1.17 CC(NCF)c1cccc(c1)Cl 34a_100102723534_100015361967 [0,2,0,0,0,0|1,0,1]=4 2968 B12R1.17 CC(OCF)c1cccc(c1)Br 34a_100000246457_100015361967 [0,2,0,0,0,0|1,0,1]=4 2969 B12R1.17 CC(OCF)c1cccc(c1)Br 7a_100000246457_100015361967 [0,2,0,0,0,0|1,0,1]=4 2970 B12R1.17 CC(OCF)c1cccc(c1)F 34a_100000744526_100015361967 [0,2,0,0,0,0|1,0,1]=4 2971 B12R1.17 CC(OCF)c1cccc(c1)F 7a_100000744526_100015361967 [0,2,0,0,0,0|1,0,1]=4 2972 B12R1.17 CC(OCF)c1cccc(c1)I 34a_100013085317_100015361967 [0,2,0,0,0,0|1,0,1]=4 2973 B12R1.17 CC(OCF)c1cccc(c1)I 7a_100013085317_100015361967 [0,2,0,0,0,0|1,0,1]=4 2974 B12R1.17 CC(OCF)c1cccc(c1)N 34a_100011217120_100015361967 [0,2,0,0,0,0|1,0,1]=4 2975 B12R1.17 CC(OCF)c1cccc(c1)N 7a_100011217120_100015361967 [0,2,0,0,0,0|1,0,1]=4 2976 B12R1.17 CCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210202 [0,2,0,0,0,0|1,0,1]=4 2977 B12R1.17 CCNC(C)c1cccc(c1)Br 269862a_100015525214_100000210093 [0,2,0,0,0,0|1,0,1]=4 2978 B12R1.17 CCNC(C)c1cccc(c1)C 269862a_100015525214_100000211476 [0,2,0,0,0,0|1,0,1]=4 2979 B12R1.17 CCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210202 [0,2,0,0,0,0|1,0,1]=4 2980 B12R1.17 CCNC(C)c1cccc(c1)Cl 269862a_100015525214_200000210964 [0,2,0,0,0,0|1,0,1]=4 2981 B12R1.17 CCNC(C)c1cccc(c1)Cl 34a_100102723534_100000210202 [0,2,0,0,0,0|1,0,1]=4 2982 B12R1.17 CCNC(C)c1cccc(c1)F 269862a_100015525214_100000187083 [0,2,0,0,0,0|1,0,1]=4 2983 B12R1.17 CCNC(C)c1cccc(c1)I 269862a_100015525214_100011356966 [0,2,0,0,0,0|1,0,1]=4 2984 B12R1.17 CCNC(C)c1cccc(c1)O 2230a_100000740644_100000210202 [0,2,0,0,0,0|1,0,1]=4 2985 B12R1.17 CCNC(C)c1cccc(c1)O 269862a_100015525214_100000211620 [0,2,0,0,0,0|1,0,1]=4 2986 B12R1.17 CCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210202 [0,2,0,0,0,0|1,0,1]=4 2987 B12R1.17 CCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000210202 [0,2,0,0,0,0|1,0,1]=4 2988 B12R1.17 CCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210202 [0,2,0,0,0,0|1,0,1]=4 2989 B12R1.17 CCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000210202 [0,2,0,0,0,0|1,0,1]=4 2990 B12R1.17 CCOC(C)c1cccc(c1)Br 34a_100000246457_100000210202 [0,2,0,0,0,0|1,0,1]=4 2991 B12R1.17 CCOC(C)c1cccc(c1)Br 7a_100000246457_100000210202 [0,2,0,0,0,0|1,0,1]=4 2992 B12R1.17 CCOC(C)c1cccc(c1)C 34a_100000757818_100000210202 [0,2,0,0,0,0|1,0,1]=4 2993 B12R1.17 CCOC(C)c1cccc(c1)C 7a_100000757818_100000210202 [0,2,0,0,0,0|1,0,1]=4 2994 B12R1.17 CCOC(C)c1cccc(c1)F 34a_100000744526_100000210202 [0,2,0,0,0,0|1,0,1]=4 2995 B12R1.17 CCOC(C)c1cccc(c1)F 7a_100000744526_100000210202 [0,2,0,0,0,0|1,0,1]=4 2996 B12R1.17 CCOC(C)c1cccc(c1)I 34a_100013085317_100000210202 [0,2,0,0,0,0|1,0,1]=4 2997 B12R1.17 CCOC(C)c1cccc(c1)I 7a_100013085317_100000210202 [0,2,0,0,0,0|1,0,1]=4 2998 B12R1.17 CCOC(C)c1cccc(c1)N 34a_100011217120_100000210202 [0,2,0,0,0,0|1,0,1]=4 2999 B12R1.17 CCOC(C)c1cccc(c1)N 7a_100011217120_100000210202 [0,2,0,0,0,0|1,0,1]=4 3000 B12R1.17 CCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210202 [0,2,0,0,0,0|1,0,1]=4 3001 B12R1.17 CCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210202 [0,2,0,0,0,0|1,0,1]=4 3002 B12R1.17 CN(CC=O)c1cccc(c1)Br 2230a_100000219648_200015260668 [0,2,0,0,0,0|1,0,0]=3 3003 B12R1.17 CN(CC=O)c1cccc(c1)Br 269982a_100000219648_200015260668 [0,2,0,0,0,0|1,0,0]=3 3004 B12R1.17 CN(CC=O)c1cccc(c1)Br 34a_100000219648_200009817547 [0,2,0,0,0,0|1,0,0]=3 3005 B12R1.17 CN(CC=O)c1cccc(c1)Cl 2230a_100000220044_200015260668 [0,2,0,0,0,0|1,0,0]=3 3006 B12R1.17 CN(CC=O)c1cccc(c1)Cl 269982a_100000220044_200015260668 [0,2,0,0,0,0|1,0,0]=3 3007 B12R1.17 CN(CC=O)c1cccc(c1)Cl 34a_100000220044_200009817547 [0,2,0,0,0,0|1,0,0]=3 3008 B12R1.17 CN(CC=O)c1cccc(c1)F 2230a_100020633736_200015260668 [0,2,0,0,0,0|1,0,0]=3 3009 B12R1.17 CN(CC=O)c1cccc(c1)F 269982a_100020633736_200015260668 [0,2,0,0,0,0|1,0,0]=3 3010 B12R1.17 CN(CC=O)c1cccc(c1)F 34a_100020633736_200009817547 [0,2,0,0,0,0|1,0,0]=3 3011 B12R1.17 CN(CC=O)c1cccc(c1)I 2230a_100000221217_200015260668 [0,2,0,0,0,0|1,0,0]=3 3012 B12R1.17 CN(CC=O)c1cccc(c1)I 269982a_100000221217_200015260668 [0,2,0,0,0,0|1,0,0]=3 3013 B12R1.17 CN(CC=O)c1cccc(c1)I 34a_100000221217_200009817547 [0,2,0,0,0,0|1,0,0]=3 3014 B12R1.17 CN(CC=O)c1cccc(c1)O 2230a_100000756613_200015260668 [0,2,0,0,0,0|1,0,0]=3 3015 B12R1.17 CN(CC=O)c1cccc(c1)O 269982a_100000756613_200015260668 [0,2,0,0,0,0|1,0,0]=3 3016 B12R1.17 CN(CC=O)c1cccc(c1)O 34a_100000756613_200009817547 [0,2,0,0,0,0|1,0,0]=3 3017 B12R1.17 C[C@@H](NCF)c1cccc(c1)F 34a_100015193778_100015361967 [0,2,0,0,0,0|1,0,1]=4 3018 B12R1.17 C[C@@H](OCF)c1cccc(c1)Cl 34a_100000747380_100015361967 [0,2,0,0,0,0|1,0,1]=4 3019 B12R1.17 C[C@@H](OCF)c1cccc(c1)Cl 7a_100000747380_100015361967 [0,2,0,0,0,0|1,0,1]=4 3020 B12R1.17 Cc1cccc(c1)C(C)OCF 34a_100000757818_100015361967 [0,2,0,0,0,0|1,0,1]=4 3021 B12R1.17 Cc1cccc(c1)C(C)OCF 7a_100000757818_100015361967 [0,2,0,0,0,0|1,0,1]=4 3022 B12R1.17 Cc1cccc(c1)N(C)CC=O 2230a_100000219674_200015260668 [0,2,0,0,0,0|1,0,0]=3 3023 B12R1.17 Cc1cccc(c1)N(C)CC=O 269982a_100000219674_200015260668 [0,2,0,0,0,0|1,0,0]=3 3024 B12R1.17 Cc1cccc(c1)N(C)CC=O 34a_100000219674_200009817547 [0,2,0,0,0,0|1,0,0]=3 3025 B12R1.17 Cc1cccc(c1)[C@@H](C)NCF 34a_100000698126_100015361967 [0,2,0,0,0,0|1,0,1]=4 3026 B12R1.30 C#CCNC(C)c1ccccc1 34a_100000212058_100000211855 [0,2,0,0,0,0|1,0,1]=4 3027 B12R1.30 C#CCN[C@H](C)c1ccccc1 2230a_100000751104_100000038162 [0,2,0,0,0,0|1,0,1]=4 3028 B12R1.30 C#CCOC(C)c1ccccc1 34a_100000210247_100000211855 [0,2,0,0,0,0|1,0,1]=4 3029 B12R1.30 C#CCO[C@H](C)c1ccccc1 34a_100000761318_100000184674 [0,2,0,0,0,0|1,0,1]=4 3030 B12R1.30 C#CCO[C@H](C)c1ccccc1 7a_100000761318_100000038162 [0,2,0,0,0,0|1,0,1]=4 3031 B12R1.30 C#CCSC(C)c1ccccc1 62a_100000038162_100000230085 [0,2,0,0,0,0|1,0,1]=4 3032 B12R1.30 C/C=C/CN(C)c1ccccc1 269982a_100000210012_100102629194 [0,2,0,0,0,0|2,0,0]=4 3033 B12R1.30 C/C=C/CN(C)c1ccccc1 34a_100000210012_100102629194 [0,2,0,0,0,0|2,0,0]=4 3034 B12R1.30 C=CCCN(C)c1ccccc1 2230a_100000210012_100000754431 [0,2,0,0,0,0|2,0,0]=4 3035 B12R1.30 C=CCCN(C)c1ccccc1 269982a_100000210012_100000754431 [0,2,0,0,0,0|2,0,0]=4 3036 B12R1.30 C=CCCN(C)c1ccccc1 34a_100000210012_100000754431 [0,2,0,0,0,0|2,0,0]=4 3037 B12R1.30 C=CCNC(C)c1ccccc1 2230a_100020586998_100000230085 [0,2,0,0,0,0|1,0,0]=3 3038 B12R1.30 C=CCNC(C)c1ccccn1 2230a_100000181244_100000210623 [0,2,0,0,0,0|2,0,0]=4 3039 B12R1.30 C=CCNC(C)c1cccnc1 2230a_100000195435_100000210623 [0,2,0,0,0,0|2,0,0]=4 3040 B12R1.30 C=CCNC(C)c1ccncc1 2230a_100000181269_100000210623 [0,2,0,0,0,0|2,0,0]=4 3041 B12R1.30 C=CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210623 [0,2,0,0,0,0|1,0,0]=3 3042 B12R1.30 C=CCOC(C)c1ccccc1 34a_200000210373_100000211855 [0,2,0,0,0,0|1,0,0]=3 3043 B12R1.30 C=CCO[C@H](C)c1ccccc1 34a_100000761318_100015514636 [0,2,0,0,0,0|1,0,0]=3 3044 B12R1.30 C=CCO[C@H](C)c1ccccc1 7a_100000761318_100015514636 [0,2,0,0,0,0|1,0,0]=3 3045 B12R1.30 C=CCSC(C)c1ccccc1 62a_100000210623_100000230085 [0,2,0,0,0,0|1,0,0]=3 3046 B12R1.30 C=CCSC(C)c1ccccc1 62a_100000230085_100000210623 [0,2,0,0,0,0|1,0,0]=3 3047 B12R1.30 CC(CNCF)c1ccccc1 34a_100000701038_100015361967 [0,2,0,0,0,0|1,0,1]=4 3048 B12R1.30 CC(COCF)c1ccccc1 34a_100011215166_100015361967 [0,2,0,0,0,0|0,0,2]=4 3049 B12R1.30 CC(COCF)c1ccccc1 7a_100011215166_100015361967 [0,2,0,0,0,0|0,0,2]=4 3050 B12R1.30 CC(CSCF)c1ccccc1 62a_100000756946_100015361967 [0,2,0,0,0,0|0,1,1]=4 3051 B12R1.30 CC(CSCF)c1ccccc1 62a_100015361967_100000756946 [0,2,0,0,0,0|0,1,1]=4 3052 B12R1.30 CC(NCC=O)c1ccccn1 2230a_100000181244_200015260668 [0,2,0,0,0,0|1,0,0]=3 3053 B12R1.30 CC(NCC=O)c1cccnc1 2230a_100000195435_200015260668 [0,2,0,0,0,0|1,0,0]=3 3054 B12R1.30 CC(NCC=O)c1ccncc1 2230a_100000181269_200015260668 [0,2,0,0,0,0|1,0,0]=3 3055 B12R1.30 CC(NCC=O)c1ncccn1 2230a_100020641698_200015260668 [0,2,0,0,0,0|2,0,0]=4 3056 B12R1.30 CC(NCCF)c1ccccc1 269862a_100000724931_100000185851 [0,2,0,0,0,0|1,0,1]=4 3057 B12R1.30 CC(NCCF)c1ccccc1 34a_100000724931_100000211855 [0,2,0,0,0,0|1,0,1]=4 3058 B12R1.30 CC(NCCO)c1ccccc1 2230a_100016997473_100000230085 [0,2,0,0,0,0|0,0,2]=4 3059 B12R1.30 CC(NCCO)c1ccccc1 269862a_100000210304_100000185851 [0,2,0,0,0,0|0,0,2]=4 3060 B12R1.30 CC(NCCO)c1ccccc1 34a_100016990907_100000211855 [0,2,0,0,0,0|0,0,2]=4 3061 B12R1.30 CC(OCCBr)c1ccccc1 34a_100000211926_100000211855 [0,2,0,0,0,0|1,0,1]=4 3062 B12R1.30 CC(OCCN)c1ccccc1 34a_100000210304_100000211855 [0,2,0,0,0,0|1,0,1]=4 3063 B12R1.30 CC(SCC#N)c1ccccc1 62a_100000230085_100011215382 [0,2,0,0,0,0|1,0,1]=4 3064 B12R1.30 CC(SCC#N)c1ccccc1 62a_100011215382_100000230085 [0,2,0,0,0,0|1,0,1]=4 3065 B12R1.30 CC(SCC=O)c1ccccc1 62a_100000230085_200015260668 [0,2,0,0,0,0|0,0,0]=2 3066 B12R1.30 CC(SCC=O)c1ccccc1 62a_200015260668_100000230085 [0,2,0,0,0,0|0,0,0]=2 3067 B12R1.30 CC(SCC=O)c1cnccn1 62a_200000703233_200015260668 [0,2,0,0,0,0|2,0,0]=4 3068 B12R1.30 CC(SCC=O)c1cnccn1 62a_200015260668_200000703233 [0,2,0,0,0,0|2,0,0]=4 3069 B12R1.30 CC(SCCF)c1ccccc1 62a_100000230085_100011217306 [0,2,0,0,0,0|1,0,1]=4 3070 B12R1.30 CC(SCCF)c1ccccc1 62a_100011217306_100000230085 [0,2,0,0,0,0|1,0,1]=4 3071 B12R1.30 CC(SCCO)c1ccccc1 62a_100000211926_100000230085 [0,2,0,0,0,0|0,0,2]=4 3072 B12R1.30 CC(SCCO)c1ccccc1 62a_100000230085_100000211926 [0,2,0,0,0,0|0,0,2]=4 3073 B12R1.30 CC=CCN(C)c1ccccc1 2230a_100000210012_100000070051 [0,2,0,0,0,0|2,0,0]=4 3074 B12R1.30 CC=CCN(C)c1ccccc1 34a_100000210012_100000070051 [0,2,0,0,0,0|2,0,0]=4 3075 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [0,2,0,0,0,0|1,0,1]=4 3076 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [0,2,0,0,0,0|1,0,1]=4 3077 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [0,2,0,0,0,0|1,0,1]=4 3078 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [0,2,0,0,0,0|1,0,1]=4 3079 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [0,2,0,0,0,0|1,0,1]=4 3080 B12R1.30 CCCSC(C)c1ccccc1 62a_100000210303_100000230085 [0,2,0,0,0,0|1,0,1]=4 3081 B12R1.30 CCCSC(C)c1ccccc1 62a_100000230085_100000210303 [0,2,0,0,0,0|1,0,1]=4 3082 B12R1.30 CCNCC(C)c1ccccc1 2230a_100000701038_100000210202 [0,2,0,0,0,0|1,0,1]=4 3083 B12R1.30 CCNCC(C)c1ccccc1 2230a_100015525214_100000756946 [0,2,0,0,0,0|1,0,1]=4 3084 B12R1.30 CCNCC(C)c1ccccc1 270004a_100015525214_100000212034 [0,2,0,0,0,0|1,0,1]=4 3085 B12R1.30 CCNCC(C)c1ccccc1 34a_100000701038_100000210202 [0,2,0,0,0,0|1,0,1]=4 3086 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [0,2,0,0,0,0|0,0,2]=4 3087 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [0,2,0,0,0,0|0,0,2]=4 3088 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [0,2,0,0,0,0|0,0,2]=4 3089 B12R1.30 CCSCC(C)c1ccccc1 62a_100000210202_100000756946 [0,2,0,0,0,0|0,1,1]=4 3090 B12R1.30 CCSCC(C)c1ccccc1 62a_100000756946_100000210202 [0,2,0,0,0,0|0,1,1]=4 3091 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [0,2,0,0,0,0|1,0,1]=4 3092 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [0,2,0,0,0,0|0,0,2]=4 3093 B12R1.30 COCSC(C)c1ccccc1 62a_100000230085_100000766300 [0,2,0,0,0,0|0,0,2]=4 3094 B12R1.30 COCSC(C)c1ccccc1 62a_100000766300_100000230085 [0,2,0,0,0,0|0,0,2]=4 3095 B12R1.30 CSCN[C@H](C)c1ccccc1 2230a_100000751104_100011218213 [0,2,0,0,0,0|0,1,1]=4 3096 B12R1.30 CSCO[C@H](C)c1ccccc1 34a_100000761318_100011218213 [0,2,0,0,0,0|0,1,1]=4 3097 B12R1.30 CSCSC(C)c1ccccc1 62a_100000230085_100011218213 [0,2,0,0,0,0|0,1,1]=4 3098 B12R1.30 CSCSC(C)c1ccccc1 62a_100011218213_100000230085 [0,2,0,0,0,0|0,1,1]=4 3099 B12R1.30 C[C@@H](NCC#N)c1ccccc1 2230a_100000751104_100011215382 [0,2,0,0,0,0|1,0,1]=4 3100 B12R1.30 C[C@@H](NCC=O)c1ccccc1 2230a_100000751104_200015260668 [0,2,0,0,0,0|0,0,0]=2 3101 B12R1.30 C[C@@H](NCC=O)c1cnccn1 2230a_100020589798_200015260668 [0,2,0,0,0,0|2,0,0]=4 3102 B12R1.30 C[C@@H](NCCF)c1ccccc1 2230a_100000751104_100011217306 [0,2,0,0,0,0|1,0,1]=4 3103 B12R1.30 C[C@@H](NCCO)c1ccccc1 2230a_100000751104_100000211926 [0,2,0,0,0,0|0,0,2]=4 3104 B12R1.30 C[C@@H](OCC#N)c1ccccc1 7a_100000761318_100011215382 [0,2,0,0,0,0|1,0,1]=4 3105 B12R1.30 C[C@@H](OCC=O)c1ccccc1 34a_100000761318_200009817547 [0,2,0,0,0,0|0,0,0]=2 3106 B12R1.30 C[C@@H](OCC=O)c1ccccc1 7a_100000761318_200015260668 [0,2,0,0,0,0|0,0,0]=2 3107 B12R1.30 C[C@@H](OCCF)c1ccccc1 34a_100000761318_100011217306 [0,2,0,0,0,0|1,0,1]=4 3108 B12R1.30 C[C@@H](OCCF)c1ccccc1 7a_100000761318_100011217306 [0,2,0,0,0,0|1,0,1]=4 3109 B12R1.30 C[C@@H](OCCO)c1ccccc1 34a_100000761318_100000211926 [0,2,0,0,0,0|0,0,2]=4 3110 B12R1.30 C[C@@H](OCCO)c1ccccc1 7a_100000761318_100000211926 [0,2,0,0,0,0|0,0,2]=4 3111 B12R1.107 C=C(C)CN(C)c1ccccc1 2230a_100000210012_100000748629 [0,2,0,0,0,0|2,0,0]=4 3112 B12R1.107 C=C(C)CN(C)c1ccccc1 269982a_100000210012_100000748629 [0,2,0,0,0,0|2,0,0]=4 3113 B12R1.107 C=C(C)CN(C)c1ccccc1 34a_100000210012_100000748629 [0,2,0,0,0,0|2,0,0]=4 3114 B12R1.107 C=C(F)CN(C)c1ccccc1 2230a_100000210012_100009893438 [0,2,0,0,0,0|2,0,0]=4 3115 B12R1.107 C=C(F)CN(C)c1ccccc1 269982a_100000210012_100009893438 [0,2,0,0,0,0|2,0,0]=4 3116 B12R1.107 C=C(F)CN(C)c1ccccc1 34a_100000210012_100009893438 [0,2,0,0,0,0|2,0,0]=4 3117 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [0,2,0,0,0,0|0,0,1]=3 3118 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [0,2,0,0,0,0|0,0,1]=3 3119 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,2,0,0,0,0|1,0,1]=4 3120 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,2,0,0,0,0|0,0,0]=2 3121 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,2,0,0,0,0|0,0,0]=2 3122 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,2,0,0,0,0|1,0,0]=3 3123 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,2,0,0,0,0|1,0,0]=3 3124 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [0,2,0,0,0,0|1,0,0]=3 3125 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,2,0,0,0,0|1,0,0]=3 3126 B12R1.107 CC(=O)NC(C)c1ccccn1 11a_100000181244_100015343762 [0,2,0,0,0,0|1,0,0]=3 3127 B12R1.107 CC(=O)NC(C)c1ccccn1 1626a_100000181244_100015343762 [0,2,0,0,0,0|1,0,0]=3 3128 B12R1.107 CC(=O)NC(C)c1ccccn1 240690a_100000181244_100015343762 [0,2,0,0,0,0|1,0,0]=3 3129 B12R1.107 CC(=O)NC(C)c1ccccn1 527a_100000181244_100103153847 [0,2,0,0,0,0|1,0,0]=3 3130 B12R1.107 CC(=O)NC(C)c1cccnc1 11a_100000195435_100015343762 [0,2,0,0,0,0|1,0,0]=3 3131 B12R1.107 CC(=O)NC(C)c1cccnc1 240690a_100000195435_100015343762 [0,2,0,0,0,0|1,0,0]=3 3132 B12R1.107 CC(=O)NC(C)c1cccnc1 527a_100000195435_100103153847 [0,2,0,0,0,0|1,0,0]=3 3133 B12R1.107 CC(=O)NC(C)c1ccncc1 240690a_100000181269_100015343762 [0,2,0,0,0,0|1,0,0]=3 3134 B12R1.107 CC(=O)NC(C)c1ccncc1 527a_100000181269_100103153847 [0,2,0,0,0,0|1,0,0]=3 3135 B12R1.107 CC(=O)NC(C)c1ncccn1 11a_100020641698_100015343762 [0,2,0,0,0,0|2,0,0]=4 3136 B12R1.107 CC(=O)NC(C)c1ncccn1 1626a_100020641698_100015343762 [0,2,0,0,0,0|2,0,0]=4 3137 B12R1.107 CC(=O)NC(C)c1ncccn1 240690a_100020641698_100015343762 [0,2,0,0,0,0|2,0,0]=4 3138 B12R1.107 CC(=O)NC(C)c1ncccn1 527a_100020641698_100103153847 [0,2,0,0,0,0|2,0,0]=4 3139 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,2,0,0,0,0|0,0,0]=2 3140 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,2,0,0,0,0|0,0,0]=2 3141 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,2,0,0,0,0|0,0,0]=2 3142 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,2,0,0,0,0|0,0,0]=2 3143 B12R1.107 CC(=O)N[C@H](C)c1cnccn1 11a_100020589798_100015343762 [0,2,0,0,0,0|2,0,0]=4 3144 B12R1.107 CC(=O)N[C@H](C)c1cnccn1 240690a_100020589798_100015343762 [0,2,0,0,0,0|2,0,0]=4 3145 B12R1.107 CC(=O)N[C@H](C)c1cnccn1 527a_100020589798_100103153847 [0,2,0,0,0,0|2,0,0]=4 3146 B12R1.107 CC(C)NC(C)c1ccccc1 2230a_100138425928_100000230085 [0,2,0,0,0,0|1,0,1]=4 3147 B12R1.107 CC(C)NC(C)c1ccccc1 34a_100138425928_100000211855 [0,2,0,0,0,0|1,0,1]=4 3148 B12R1.107 CC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000210206 [0,2,0,0,0,0|1,0,1]=4 3149 B12R1.107 CC(C)OC(C)c1ccccc1 34a_100000212225_100000211855 [0,2,0,0,0,0|1,0,1]=4 3150 B12R1.107 CC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000210206 [0,2,0,0,0,0|1,0,1]=4 3151 B12R1.107 CC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000210206 [0,2,0,0,0,0|1,0,1]=4 3152 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000210206_100000230085 [0,2,0,0,0,0|1,0,1]=4 3153 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000230085_100000210206 [0,2,0,0,0,0|1,0,1]=4 3154 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,2,0,0,0,0|0,0,0]=2 3155 B12R1.107 CC(CN(C)C)c1ccccc1 2230a_100102631434_100000756946 [0,2,0,0,0,0|1,0,1]=4 3156 B12R1.107 CC(CN(C)C)c1ccccc1 269982a_100102631434_100000756946 [0,2,0,0,0,0|1,0,1]=4 3157 B12R1.107 CC(CN(C)C)c1ccccc1 270004a_100102631434_100000212034 [0,2,0,0,0,0|1,0,1]=4 3158 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,2,0,0,0,0|1,0,0]=3 3159 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,2,0,0,0,0|1,0,0]=3 3160 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,2,0,0,0,0|1,0,0]=3 3161 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,2,0,0,0,0|1,0,0]=3 3162 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,2,0,0,0,0|1,0,0]=3 3163 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,2,0,0,0,0|1,0,0]=3 3164 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [0,2,0,0,0,0|1,0,0]=3 3165 B12R1.107 CN(CC(=O)[O-])c1ccccc1 269982a_100000210012_100020667443 [0,2,0,0,0,0|1,0,0]=3 3166 B12R1.107 CN(CC(=O)[O-])c1ccccc1 34a_100000210012_100020667443 [0,2,0,0,0,0|1,0,0]=3 3167 B12R1.107 CN(C[N+](=O)[O-])c1ccccc1 269982a_100000210012_100000761209 [0,2,0,0,0,0|1,0,1]=4 3168 B12R1.107 CN(C[N+](=O)[O-])c1ccccc1 34a_100000210012_100000761209 [0,2,0,0,0,0|1,0,1]=4 3169 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,2,0,0,0,0|1,0,1]=4 3170 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,2,0,0,0,0|1,0,1]=4 3171 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,2,0,0,0,0|1,0,0]=3 3172 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,2,0,0,0,0|1,0,0]=3 3173 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,2,0,0,0,0|1,0,0]=3 3174 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,2,0,0,0,0|1,0,0]=3 3175 B12R1.308 C=CCN(C)c1ccccc1Br 2230a_100020606079_100000210623 [0,2,0,0,0,0|2,0,0]=4 3176 B12R1.308 C=CCN(C)c1ccccc1Br 269982a_100020606079_100000210623 [0,2,0,0,0,0|2,0,0]=4 3177 B12R1.308 C=CCN(C)c1ccccc1Br 34a_100020606079_100015514636 [0,2,0,0,0,0|2,0,0]=4 3178 B12R1.308 C=CCN(C)c1ccccc1C 2230a_100000219699_100000210623 [0,2,0,0,0,0|2,0,0]=4 3179 B12R1.308 C=CCN(C)c1ccccc1C 269982a_100000219699_100000210623 [0,2,0,0,0,0|2,0,0]=4 3180 B12R1.308 C=CCN(C)c1ccccc1C 34a_100000219699_100015514636 [0,2,0,0,0,0|2,0,0]=4 3181 B12R1.308 C=CCN(C)c1ccccc1Cl 2230a_100000219374_100000210623 [0,2,0,0,0,0|2,0,0]=4 3182 B12R1.308 C=CCN(C)c1ccccc1Cl 269982a_100000219374_100000210623 [0,2,0,0,0,0|2,0,0]=4 3183 B12R1.308 C=CCN(C)c1ccccc1Cl 34a_100000219374_100015514636 [0,2,0,0,0,0|2,0,0]=4 3184 B12R1.308 C=CCN(C)c1ccccc1F 2230a_100000220357_100000210623 [0,2,0,0,0,0|2,0,0]=4 3185 B12R1.308 C=CCN(C)c1ccccc1F 269982a_100000220357_100000210623 [0,2,0,0,0,0|2,0,0]=4 3186 B12R1.308 C=CCN(C)c1ccccc1F 34a_100000220357_100015514636 [0,2,0,0,0,0|2,0,0]=4 3187 B12R1.308 C=CCN(C)c1ccccc1F 38a_100000220357_100000210623 [0,2,0,0,0,0|2,0,0]=4 3188 B12R1.308 C=CCN(C)c1ccccc1O 269982a_100000033821_100000210623 [0,2,0,0,0,0|2,0,0]=4 3189 B12R1.308 CC(NCF)c1ccccc1Cl 34a_100000174978_100015361967 [0,2,0,0,0,0|1,0,1]=4 3190 B12R1.308 CC(NCF)c1ccccc1F 34a_100000181408_100015361967 [0,2,0,0,0,0|1,0,1]=4 3191 B12R1.308 CC(OCF)c1ccccc1Br 34a_100000702211_100015361967 [0,2,0,0,0,0|1,0,1]=4 3192 B12R1.308 CC(OCF)c1ccccc1Br 7a_100000702211_100015361967 [0,2,0,0,0,0|1,0,1]=4 3193 B12R1.308 CC(OCF)c1ccccc1Cl 34a_100000740796_100015361967 [0,2,0,0,0,0|1,0,1]=4 3194 B12R1.308 CC(OCF)c1ccccc1Cl 7a_100000740796_100015361967 [0,2,0,0,0,0|1,0,1]=4 3195 B12R1.308 CC(OCF)c1ccccc1F 34a_100000697922_100015361967 [0,2,0,0,0,0|1,0,1]=4 3196 B12R1.308 CC(OCF)c1ccccc1F 7a_100000697922_100015361967 [0,2,0,0,0,0|1,0,1]=4 3197 B12R1.308 CC(OCF)c1ccccc1N 7a_100011405641_100015361967 [0,2,0,0,0,0|1,0,1]=4 3198 B12R1.308 CC(SCF)c1ccccc1Cl 62a_100000181259_100015361967 [0,2,0,0,0,0|1,0,1]=4 3199 B12R1.308 CC(SCF)c1ccccc1Cl 62a_100015361967_100000181259 [0,2,0,0,0,0|1,0,1]=4 3200 B12R1.308 CC(SCF)c1ccccc1F 62a_100015361967_200000741388 [0,2,0,0,0,0|1,0,1]=4 3201 B12R1.308 CC(SCF)c1ccccc1F 62a_200000741388_100015361967 [0,2,0,0,0,0|1,0,1]=4 3202 B12R1.308 CCNC(C)c1ccccc1Br 2230a_100000181357_100000210202 [0,2,0,0,0,0|1,0,1]=4 3203 B12R1.308 CCNC(C)c1ccccc1Br 269862a_100015525214_100000187085 [0,2,0,0,0,0|1,0,1]=4 3204 B12R1.308 CCNC(C)c1ccccc1C 2230a_100000181355_100000210202 [0,2,0,0,0,0|1,0,1]=4 3205 B12R1.308 CCNC(C)c1ccccc1C 269862a_100015525214_100000211656 [0,2,0,0,0,0|1,0,1]=4 3206 B12R1.308 CCNC(C)c1ccccc1C 34a_100000181355_100000210202 [0,2,0,0,0,0|1,0,1]=4 3207 B12R1.308 CCNC(C)c1ccccc1Cl 2230a_100000174978_100000210202 [0,2,0,0,0,0|1,0,1]=4 3208 B12R1.308 CCNC(C)c1ccccc1Cl 2230a_100015525214_100000181259 [0,2,0,0,0,0|1,0,1]=4 3209 B12R1.308 CCNC(C)c1ccccc1Cl 269862a_100015525214_100000210134 [0,2,0,0,0,0|1,0,1]=4 3210 B12R1.308 CCNC(C)c1ccccc1Cl 34a_100000174978_100000210202 [0,2,0,0,0,0|1,0,1]=4 3211 B12R1.308 CCNC(C)c1ccccc1F 2230a_100000181408_100000210202 [0,2,0,0,0,0|1,0,1]=4 3212 B12R1.308 CCNC(C)c1ccccc1F 2230a_100015525214_200000741388 [0,2,0,0,0,0|1,0,1]=4 3213 B12R1.308 CCNC(C)c1ccccc1F 269862a_100015525214_100000210632 [0,2,0,0,0,0|1,0,1]=4 3214 B12R1.308 CCNC(C)c1ccccc1F 34a_100000181408_100000210202 [0,2,0,0,0,0|1,0,1]=4 3215 B12R1.308 CCNC(C)c1ccccc1I 269862a_100015525214_100000751169 [0,2,0,0,0,0|1,0,1]=4 3216 B12R1.308 CCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210202 [0,2,0,0,0,0|1,0,1]=4 3217 B12R1.308 CCOC(C)c1ccccc1Br 34a_100000702211_100000210202 [0,2,0,0,0,0|1,0,1]=4 3218 B12R1.308 CCOC(C)c1ccccc1Br 7a_100000702211_100000210202 [0,2,0,0,0,0|1,0,1]=4 3219 B12R1.308 CCOC(C)c1ccccc1C 34a_100000742021_100000210202 [0,2,0,0,0,0|1,0,1]=4 3220 B12R1.308 CCOC(C)c1ccccc1C 7a_100000742021_100000210202 [0,2,0,0,0,0|1,0,1]=4 3221 B12R1.308 CCOC(C)c1ccccc1Cl 34a_100000740796_100000210202 [0,2,0,0,0,0|1,0,1]=4 3222 B12R1.308 CCOC(C)c1ccccc1Cl 7a_100000740796_100000210202 [0,2,0,0,0,0|1,0,1]=4 3223 B12R1.308 CCOC(C)c1ccccc1F 34a_100000697922_100000210202 [0,2,0,0,0,0|1,0,1]=4 3224 B12R1.308 CCOC(C)c1ccccc1F 34a_100121572206_200000741388 [0,2,0,0,0,0|1,0,1]=4 3225 B12R1.308 CCOC(C)c1ccccc1F 7a_100000697922_100000210202 [0,2,0,0,0,0|1,0,1]=4 3226 B12R1.308 CCOC(C)c1ccccc1N 7a_100011405641_100000210202 [0,2,0,0,0,0|1,0,1]=4 3227 B12R1.308 CCSC(C)c1ccccc1Cl 62a_100000181259_100000210202 [0,2,0,0,0,0|1,0,1]=4 3228 B12R1.308 CCSC(C)c1ccccc1Cl 62a_100000210202_100000181259 [0,2,0,0,0,0|1,0,1]=4 3229 B12R1.308 CCSC(C)c1ccccc1F 62a_100000210202_200000741388 [0,2,0,0,0,0|1,0,1]=4 3230 B12R1.308 CCSC(C)c1ccccc1F 62a_200000741388_100000210202 [0,2,0,0,0,0|1,0,1]=4 3231 B12R1.308 CN(CC=O)c1ccccc1Br 2230a_100020606079_200015260668 [0,2,0,0,0,0|1,0,0]=3 3232 B12R1.308 CN(CC=O)c1ccccc1Br 269982a_100020606079_200015260668 [0,2,0,0,0,0|1,0,0]=3 3233 B12R1.308 CN(CC=O)c1ccccc1Br 34a_100020606079_200009817547 [0,2,0,0,0,0|1,0,0]=3 3234 B12R1.308 CN(CC=O)c1ccccc1Cl 2230a_100000219374_200015260668 [0,2,0,0,0,0|1,0,0]=3 3235 B12R1.308 CN(CC=O)c1ccccc1Cl 269982a_100000219374_200015260668 [0,2,0,0,0,0|1,0,0]=3 3236 B12R1.308 CN(CC=O)c1ccccc1Cl 34a_100000219374_200009817547 [0,2,0,0,0,0|1,0,0]=3 3237 B12R1.308 CN(CC=O)c1ccccc1F 2230a_100000220357_200015260668 [0,2,0,0,0,0|1,0,0]=3 3238 B12R1.308 CN(CC=O)c1ccccc1F 269982a_100000220357_200015260668 [0,2,0,0,0,0|1,0,0]=3 3239 B12R1.308 CN(CC=O)c1ccccc1F 34a_100000220357_200009817547 [0,2,0,0,0,0|1,0,0]=3 3240 B12R1.308 CN(CC=O)c1ccccc1O 269982a_100000033821_200015260668 [0,2,0,0,0,0|1,0,0]=3 3241 B12R1.308 Cc1ccccc1C(C)NCF 34a_100000181355_100015361967 [0,2,0,0,0,0|1,0,1]=4 3242 B12R1.308 Cc1ccccc1C(C)OCF 34a_100000742021_100015361967 [0,2,0,0,0,0|1,0,1]=4 3243 B12R1.308 Cc1ccccc1C(C)OCF 7a_100000742021_100015361967 [0,2,0,0,0,0|1,0,1]=4 3244 B12R1.308 Cc1ccccc1N(C)CC=O 2230a_100000219699_200015260668 [0,2,0,0,0,0|1,0,0]=3 3245 B12R1.308 Cc1ccccc1N(C)CC=O 269982a_100000219699_200015260668 [0,2,0,0,0,0|1,0,0]=3 3246 B12R1.308 Cc1ccccc1N(C)CC=O 34a_100000219699_200009817547 [0,2,0,0,0,0|1,0,0]=3 3247 B12R1.5 C=Cc1ccc(cc1)C(=O)C=O 271570a_100011290941_100000725942 [0,2,0,0,0,0|1,0,1]=4 3248 B12R1.5 C=Cc1ccc(cc1)C(C)C#N 271570a_100011290941_100000695319 [0,2,0,0,0,0|1,0,1]=4 3249 B12R1.5 C=Cc1ccc(cc1)C(C)CC 271570a_100011290941_100011221364 [0,2,0,0,0,0|1,0,1]=4 3250 B12R1.5 C=Cc1ccc(cc1)C(C)NC 2230a_200012023546_200000210301 [0,2,0,0,0,0|2,0,0]=4 3251 B12R1.5 C=Cc1ccc(cc1)C(C)NC 271570a_100011290941_100000231103 [0,2,0,0,0,0|2,0,0]=4 3252 B12R1.5 C=Cc1ccc(cc1)C(C)NC 34a_200012023546_200000210301 [0,2,0,0,0,0|2,0,0]=4 3253 B12R1.5 C=Cc1ccc(cc1)C(C)N[13CH3] 2230a_200012023546_200025704644 [0,2,0,0,0,0|2,0,0]=4 3254 B12R1.5 C=Cc1ccc(cc1)C(C)N[13CH3] 34a_200012023546_200025704644 [0,2,0,0,0,0|2,0,0]=4 3255 B12R1.5 C=Cc1ccc(cc1)C(C)OC 271570a_100011290941_100010254937 [0,2,0,0,0,0|2,0,0]=4 3256 B12R1.5 CC(C#N)c1ccc(cc1)N[13CH3] 34a_100000069498_200025704644 [0,2,0,0,0,0|1,0,1]=4 3257 B12R1.5 CC(C#N)c1ccc(cc1)N[13CH3] 7a_100000069498_200025704644 [0,2,0,0,0,0|1,0,1]=4 3258 B12R1.5 CC(C#N)c1ccc(cc1)S[13CH3] 62a_100000695319_200025704644 [0,2,0,0,0,0|1,0,1]=4 3259 B12R1.5 CC(C#N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000695319 [0,2,0,0,0,0|1,0,1]=4 3260 B12R1.5 CC(CN)c1ccc(cc1)O[13CH3] 34a_200015188644_200025704644 [0,2,0,0,0,0|1,0,1]=4 3261 B12R1.5 CC(O[13CH3])c1ccc(cc1)CN 34a_200000048501_200025704644 [0,2,0,0,0,0|2,0,0]=4 3262 B12R1.5 CCC(C)c1ccc(cc1)NC 2230a_100000211316_200000210301 [0,2,0,0,0,0|1,0,1]=4 3263 B12R1.5 CCC(C)c1ccc(cc1)NC 34a_100000211316_200000210301 [0,2,0,0,0,0|1,0,1]=4 3264 B12R1.5 CCC(C)c1ccc(cc1)NC 7a_100000211316_200000210301 [0,2,0,0,0,0|1,0,1]=4 3265 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 2230a_100000211316_200025704644 [0,2,0,0,0,0|1,0,1]=4 3266 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 34a_100000211316_200025704644 [0,2,0,0,0,0|1,0,1]=4 3267 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 7a_100000211316_200025704644 [0,2,0,0,0,0|1,0,1]=4 3268 B12R1.5 CCC(C)c1ccc(cc1)OC 34a_100000211540_200000210301 [0,2,0,0,0,0|1,0,1]=4 3269 B12R1.5 CCC(C)c1ccc(cc1)OC 7a_100000211540_200000210301 [0,2,0,0,0,0|1,0,1]=4 3270 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 34a_100000211540_200025704644 [0,2,0,0,0,0|1,0,1]=4 3271 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 7a_100000211540_200025704644 [0,2,0,0,0,0|1,0,1]=4 3272 B12R1.5 CCC(C)c1ccc(cc1)SC 62a_100011221364_200000210301 [0,2,0,0,0,0|1,0,1]=4 3273 B12R1.5 CCC(C)c1ccc(cc1)SC 62a_200000210301_100011221364 [0,2,0,0,0,0|1,0,1]=4 3274 B12R1.5 CCC(C)c1ccc(cc1)S[13CH3] 62a_100011221364_200025704644 [0,2,0,0,0,0|1,0,1]=4 3275 B12R1.5 CCC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100011221364 [0,2,0,0,0,0|1,0,1]=4 3276 B12R1.5 CCc1ccc(cc1)C(C)NC 2230a_100015186439_200000210301 [0,2,0,0,0,0|2,0,0]=4 3277 B12R1.5 CCc1ccc(cc1)C(C)NC 269862a_106832991636_100000211630 [0,2,0,0,0,0|2,0,0]=4 3278 B12R1.5 CCc1ccc(cc1)C(C)NC 34a_100015186439_200000210301 [0,2,0,0,0,0|2,0,0]=4 3279 B12R1.5 CCc1ccc(cc1)C(C)N[13CH3] 2230a_100015186439_200025704644 [0,2,0,0,0,0|2,0,0]=4 3280 B12R1.5 CCc1ccc(cc1)C(C)N[13CH3] 34a_100015186439_200025704644 [0,2,0,0,0,0|2,0,0]=4 3281 B12R1.5 CCc1ccc(cc1)C(C)OC 34a_100011232672_200000210301 [0,2,0,0,0,0|2,0,0]=4 3282 B12R1.5 CCc1ccc(cc1)C(C)OC 7a_100011232672_200000210301 [0,2,0,0,0,0|2,0,0]=4 3283 B12R1.5 CCc1ccc(cc1)C(C)O[13CH3] 34a_100011232672_200025704644 [0,2,0,0,0,0|2,0,0]=4 3284 B12R1.5 CCc1ccc(cc1)C(C)O[13CH3] 7a_100011232672_200025704644 [0,2,0,0,0,0|2,0,0]=4 3285 B12R1.5 CNC(C)c1ccc(cc1)C#N 269862a_106832991636_100000182420 [0,2,0,0,0,0|2,0,0]=4 3286 B12R1.5 CNC(C)c1ccc(cc1)CO 269862a_106832991636_100000082505 [0,2,0,0,0,0|2,0,0]=4 3287 B12R1.5 CNC(C)c1ccc(cc1)OC 269862a_106832991636_100000169859 [0,2,0,0,0,0|2,0,0]=4 3288 B12R1.5 CNC(C)c1ccc(cc1)SC 2230a_100000738722_200000210301 [0,2,0,0,0,0|2,0,0]=4 3289 B12R1.5 CNC(C)c1ccc(cc1)SC 269862a_106832991636_100000185071 [0,2,0,0,0,0|2,0,0]=4 3290 B12R1.5 CNC(C)c1ccc(cc1)SC 62a_100000231103_200000210301 [0,2,0,0,0,0|2,0,0]=4 3291 B12R1.5 CNC(C)c1ccc(cc1)SC 62a_200000210301_100000231103 [0,2,0,0,0,0|2,0,0]=4 3292 B12R1.5 CNC(C)c1ccc(cc1)S[13CH3] 62a_100000231103_200025704644 [0,2,0,0,0,0|2,0,0]=4 3293 B12R1.5 CNC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000231103 [0,2,0,0,0,0|2,0,0]=4 3294 B12R1.5 CN[C@H](C)c1ccc(cc1)C#N 2230a_100016991473_200000210301 [0,2,0,0,0,0|2,0,0]=4 3295 B12R1.5 CN[C@H](C)c1ccc(cc1)C#N 34a_100016991473_200000210301 [0,2,0,0,0,0|2,0,0]=4 3296 B12R1.5 CN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_200000210301 [0,2,0,0,0,0|2,0,0]=4 3297 B12R1.5 CNc1ccc(cc1)C(C)C#N 34a_100000069498_200000210301 [0,2,0,0,0,0|1,0,1]=4 3298 B12R1.5 CNc1ccc(cc1)C(C)C#N 7a_100000069498_200000210301 [0,2,0,0,0,0|1,0,1]=4 3299 B12R1.5 CNc1ccc(cc1)C(C)NC 269862a_106832991636_100011806243 [0,2,0,0,0,0|2,0,0]=4 3300 B12R1.5 COC(C)c1ccc(cc1)CN 34a_200000048501_200000210301 [0,2,0,0,0,0|2,0,0]=4 3301 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 34a_200010658654_200025704644 [0,2,0,0,0,0|2,0,0]=4 3302 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 7a_200010658654_200025704644 [0,2,0,0,0,0|2,0,0]=4 3303 B12R1.5 COC(C)c1ccc(cc1)SC 62a_100010254937_200000210301 [0,2,0,0,0,0|2,0,0]=4 3304 B12R1.5 COC(C)c1ccc(cc1)SC 62a_200000210301_100010254937 [0,2,0,0,0,0|2,0,0]=4 3305 B12R1.5 COC(C)c1ccc(cc1)S[13CH3] 62a_100010254937_200025704644 [0,2,0,0,0,0|2,0,0]=4 3306 B12R1.5 COC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100010254937 [0,2,0,0,0,0|2,0,0]=4 3307 B12R1.5 CO[C@@H](C)c1ccc(cc1)C#N 34a_100011852132_200000210301 [0,2,0,0,0,0|2,0,0]=4 3308 B12R1.5 CO[C@@H](C)c1ccc(cc1)C#N 7a_100011852132_200000210301 [0,2,0,0,0,0|2,0,0]=4 3309 B12R1.5 COc1ccc(cc1)C(C)CN 34a_200015188644_200000210301 [0,2,0,0,0,0|1,0,1]=4 3310 B12R1.5 COc1ccc(cc1)C(C)OC 34a_100000742907_200000210301 [0,2,0,0,0,0|2,0,0]=4 3311 B12R1.5 COc1ccc(cc1)C(C)OC 34a_200010658654_200000210301 [0,2,0,0,0,0|2,0,0]=4 3312 B12R1.5 COc1ccc(cc1)C(C)OC 7a_100000742907_200000210301 [0,2,0,0,0,0|2,0,0]=4 3313 B12R1.5 COc1ccc(cc1)C(C)OC 7a_200010658654_200000210301 [0,2,0,0,0,0|2,0,0]=4 3314 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 34a_100000742907_200025704644 [0,2,0,0,0,0|2,0,0]=4 3315 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 7a_100000742907_200025704644 [0,2,0,0,0,0|2,0,0]=4 3316 B12R1.5 COc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100011830352_200025704644 [0,2,0,0,0,0|2,0,0]=4 3317 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_100000725942_200000210301 [0,2,0,0,0,0|1,0,1]=4 3318 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_200000210301_100000725942 [0,2,0,0,0,0|1,0,1]=4 3319 B12R1.5 CSc1ccc(cc1)C(C)C#N 62a_100000695319_200000210301 [0,2,0,0,0,0|1,0,1]=4 3320 B12R1.5 CSc1ccc(cc1)C(C)C#N 62a_200000210301_100000695319 [0,2,0,0,0,0|1,0,1]=4 3321 B12R1.5 CSc1ccc(cc1)C(C)N[13CH3] 2230a_100000738722_200025704644 [0,2,0,0,0,0|2,0,0]=4 3322 B12R1.5 C[C@@H](N[13CH3])c1ccc(cc1)C#N 2230a_100016991473_200025704644 [0,2,0,0,0,0|2,0,0]=4 3323 B12R1.5 C[C@@H](N[13CH3])c1ccc(cc1)C#N 34a_100016991473_200025704644 [0,2,0,0,0,0|2,0,0]=4 3324 B12R1.5 C[C@H](O[13CH3])c1ccc(cc1)C#N 34a_100011852132_200025704644 [0,2,0,0,0,0|2,0,0]=4 3325 B12R1.5 C[C@H](O[13CH3])c1ccc(cc1)C#N 7a_100011852132_200025704644 [0,2,0,0,0,0|2,0,0]=4 3326 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_100000725942_200025704644 [0,2,0,0,0,0|1,0,1]=4 3327 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_200025704644_100000725942 [0,2,0,0,0,0|1,0,1]=4 3328 B12R1.20 CC(=C(C)c1ccc(cc1)Br)C 271570a_200000049429_100000752885 [0,2,0,0,0,0|1,0,1]=4 3329 B12R1.20 CC(=C(C)c1ccc(cc1)C)C 271570a_200000049429_100000186775 [0,2,0,0,0,0|1,0,1]=4 3330 B12R1.20 CC(=C(C)c1ccc(cc1)Cl)C 271570a_200000049429_100000755918 [0,2,0,0,0,0|1,0,1]=4 3331 B12R1.20 CC(=C(C)c1ccc(cc1)F)C 271570a_200000049429_100000211213 [0,2,0,0,0,0|1,0,1]=4 3332 B12R1.20 CC(=C(C)c1ccc(cc1)N)C 271570a_200000049429_100000185761 [0,2,0,0,0,0|1,0,1]=4 3333 B12R1.20 CC(=C(C)c1ccc(cc1)O)C 271570a_200000049429_100000185759 [0,2,0,0,0,0|1,0,1]=4 3334 B12R1.20 CC(=O)C(C)c1ccc(cc1)Br 1458a_100000070787_100000755118 [0,2,0,0,0,0|0,0,0]=2 3335 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000070787_100011261388 [0,2,0,0,0,0|0,0,0]=2 3336 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_200000210301 [0,2,0,0,0,0|0,0,0]=2 3337 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000070787_100000684792 [0,2,0,0,0,0|0,0,0]=2 3338 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_200000210301 [0,2,0,0,0,0|0,0,0]=2 3339 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100000070787_100000743420 [0,2,0,0,0,0|0,0,0]=2 3340 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_200000210301 [0,2,0,0,0,0|0,0,0]=2 3341 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [0,2,0,0,0,0|0,0,0]=2 3342 B12R1.20 CC(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200000210301 [0,2,0,0,0,0|1,0,0]=3 3343 B12R1.20 CC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200000210301 [0,2,0,0,0,0|1,0,0]=3 3344 B12R1.20 CC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200000210301 [0,2,0,0,0,0|1,0,0]=3 3345 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [0,2,0,0,0,0|1,0,0]=3 3346 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 11a_100000219623_100015343762 [0,2,0,0,0,0|1,0,0]=3 3347 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 1626a_100000219623_100015343762 [0,2,0,0,0,0|1,0,0]=3 3348 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 22a_100000219623_100000070787 [0,2,0,0,0,0|1,0,0]=3 3349 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 11a_100000219977_100015343762 [0,2,0,0,0,0|1,0,0]=3 3350 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 1626a_100000219977_100015343762 [0,2,0,0,0,0|1,0,0]=3 3351 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 22a_100000219977_100000070787 [0,2,0,0,0,0|1,0,0]=3 3352 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 11a_100020629279_100015343762 [0,2,0,0,0,0|1,0,0]=3 3353 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 1626a_100020629279_100015343762 [0,2,0,0,0,0|1,0,0]=3 3354 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 22a_100020629279_100000070787 [0,2,0,0,0,0|1,0,0]=3 3355 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 11a_100000219829_100015343762 [0,2,0,0,0,0|1,0,0]=3 3356 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 1626a_100000219829_100015343762 [0,2,0,0,0,0|1,0,0]=3 3357 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 22a_100000219829_100000070787 [0,2,0,0,0,0|1,0,0]=3 3358 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 11a_100000743151_100015343762 [0,2,0,0,0,0|1,0,0]=3 3359 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 1626a_100000743151_100015343762 [0,2,0,0,0,0|1,0,0]=3 3360 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 22a_100000743151_100000070787 [0,2,0,0,0,0|1,0,0]=3 3361 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000070787 [0,2,0,0,0,0|1,0,0]=3 3362 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 271570a_203496583355_200009816415 [0,2,0,0,0,0|1,0,0]=3 3363 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 527a_100000182112_100103153847 [0,2,0,0,0,0|1,0,0]=3 3364 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_200000210301 [0,2,0,0,0,0|1,0,0]=3 3365 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200000210301 [0,2,0,0,0,0|1,0,0]=3 3366 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100011216001_200025704644 [0,2,0,0,0,0|0,0,0]=2 3367 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)F 1458a_100011435297_200025704644 [0,2,0,0,0,0|0,0,0]=2 3368 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [0,2,0,0,0,0|0,0,0]=2 3369 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 2230a_100000231103_200000210301 [0,2,0,0,0,0|2,0,0]=4 3370 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 2230a_100102631434_100000755118 [0,2,0,0,0,0|2,0,0]=4 3371 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 269982a_100000231103_200000210301 [0,2,0,0,0,0|2,0,0]=4 3372 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 269982a_100102631434_100000755118 [0,2,0,0,0,0|2,0,0]=4 3373 B12R1.20 CC(c1ccc(cc1)Br)N(C)[13CH3] 2230a_100000231103_200025704644 [0,2,0,0,0,0|2,0,0]=4 3374 B12R1.20 CC(c1ccc(cc1)Br)N(C)[13CH3] 269982a_100000231103_200025704644 [0,2,0,0,0,0|2,0,0]=4 3375 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 2230a_100000231102_200000210301 [0,2,0,0,0,0|2,0,0]=4 3376 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 2230a_100102631434_100000684792 [0,2,0,0,0,0|2,0,0]=4 3377 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 269982a_100000231102_200000210301 [0,2,0,0,0,0|2,0,0]=4 3378 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 269982a_100102631434_100000684792 [0,2,0,0,0,0|2,0,0]=4 3379 B12R1.20 CC(c1ccc(cc1)Cl)N(C)[13CH3] 2230a_100000231102_200025704644 [0,2,0,0,0,0|2,0,0]=4 3380 B12R1.20 CC(c1ccc(cc1)Cl)N(C)[13CH3] 269982a_100000231102_200025704644 [0,2,0,0,0,0|2,0,0]=4 3381 B12R1.20 CC(c1ccc(cc1)F)N(C)C 2230a_100000222788_200000210301 [0,2,0,0,0,0|2,0,0]=4 3382 B12R1.20 CC(c1ccc(cc1)F)N(C)C 2230a_100102631434_100000743420 [0,2,0,0,0,0|2,0,0]=4 3383 B12R1.20 CC(c1ccc(cc1)F)N(C)C 269982a_100000222788_200000210301 [0,2,0,0,0,0|2,0,0]=4 3384 B12R1.20 CC(c1ccc(cc1)F)N(C)C 269982a_100102631434_100000743420 [0,2,0,0,0,0|2,0,0]=4 3385 B12R1.20 CC(c1ccc(cc1)F)N(C)C 34a_100000222788_200000210301 [0,2,0,0,0,0|2,0,0]=4 3386 B12R1.20 CC(c1ccc(cc1)F)N(C)[13CH3] 2230a_100000222788_200025704644 [0,2,0,0,0,0|2,0,0]=4 3387 B12R1.20 CC(c1ccc(cc1)F)N(C)[13CH3] 269982a_100000222788_200025704644 [0,2,0,0,0,0|2,0,0]=4 3388 B12R1.20 CC(c1ccc(cc1)F)N(C)[13CH3] 34a_100000222788_200025704644 [0,2,0,0,0,0|2,0,0]=4 3389 B12R1.20 Cc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000751627_200025704644 [0,2,0,0,0,0|0,0,0]=2 3390 B12R1.20 Cc1ccc(cc1)C(C)N(C)C 2230a_100102631434_100011261388 [0,2,0,0,0,0|2,0,0]=4 3391 B12R1.20 Cc1ccc(cc1)C(C)N(C)C 269982a_100102631434_100011261388 [0,2,0,0,0,0|2,0,0]=4 3392 B12R1.20 Cc1ccc(cc1)[C@@H](O)C(=O)[13CH3] 1458a_100009815954_200025704644 [0,2,0,0,0,0|1,0,0]=3 3393 B12R1.20 NC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_200009822167 [0,2,0,0,0,0|1,0,1]=4 3394 B12R1.20 [13CH3]C(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200025704644 [0,2,0,0,0,0|1,0,0]=3 3395 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200025704644 [0,2,0,0,0,0|1,0,0]=3 3396 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200025704644 [0,2,0,0,0,0|1,0,0]=3 3397 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [0,2,0,0,0,0|1,0,0]=3 3398 B12R1.20 [13CH3]C(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200025704644 [0,2,0,0,0,0|1,0,0]=3 3399 B12R1.367 CC(N[13CH3])c1ccc(c(c1)Cl)Cl 2230a_100000743459_200025704644 [0,2,0,0,0,0|2,0,0]=4 3400 B12R1.367 CC(N[13CH3])c1ccc(c(c1)Cl)Cl 34a_100000743459_200025704644 [0,2,0,0,0,0|2,0,0]=4 3401 B12R1.367 CC(N[13CH3])c1ccc(c(c1)F)F 2230a_100000756309_200025704644 [0,2,0,0,0,0|2,0,0]=4 3402 B12R1.367 CC(N[13CH3])c1ccc(c(c1)F)F 34a_100000756309_200025704644 [0,2,0,0,0,0|2,0,0]=4 3403 B12R1.367 CC(O[13CH3])c1ccc(c(c1)Br)F 34a_100011191524_200025704644 [0,2,0,0,0,0|2,0,0]=4 3404 B12R1.367 CC(O[13CH3])c1ccc(c(c1)Br)F 7a_100011191524_200025704644 [0,2,0,0,0,0|2,0,0]=4 3405 B12R1.367 CC(O[13CH3])c1ccc(c(c1)Cl)Cl 34a_100000742046_200025704644 [0,2,0,0,0,0|2,0,0]=4 3406 B12R1.367 CC(O[13CH3])c1ccc(c(c1)Cl)Cl 7a_100000742046_200025704644 [0,2,0,0,0,0|2,0,0]=4 3407 B12R1.367 CC(O[13CH3])c1ccc(c(c1)F)Cl 34a_100011944057_200025704644 [0,2,0,0,0,0|2,0,0]=4 3408 B12R1.367 CC(O[13CH3])c1ccc(c(c1)F)Cl 7a_100011944057_200025704644 [0,2,0,0,0,0|2,0,0]=4 3409 B12R1.367 CC(O[13CH3])c1ccc(c(c1)F)F 34a_100000246517_200025704644 [0,2,0,0,0,0|2,0,0]=4 3410 B12R1.367 CC(O[13CH3])c1ccc(c(c1)F)F 7a_100000246517_200025704644 [0,2,0,0,0,0|2,0,0]=4 3411 B12R1.367 CNC(C)c1ccc(c(c1)Br)Br 269862a_106832991636_100009814466 [0,2,0,0,0,0|2,0,0]=4 3412 B12R1.367 CNC(C)c1ccc(c(c1)Br)C 269862a_106832991636_100011934287 [0,2,0,0,0,0|2,0,0]=4 3413 B12R1.367 CNC(C)c1ccc(c(c1)Br)Cl 269862a_106832991636_100012356427 [0,2,0,0,0,0|2,0,0]=4 3414 B12R1.367 CNC(C)c1ccc(c(c1)Br)F 269862a_106832991636_100000239719 [0,2,0,0,0,0|2,0,0]=4 3415 B12R1.367 CNC(C)c1ccc(c(c1)Br)I 269862a_106832991636_100010146554 [0,2,0,0,0,0|2,0,0]=4 3416 B12R1.367 CNC(C)c1ccc(c(c1)Br)O 269862a_106832991636_100011772453 [0,2,0,0,0,0|2,0,0]=4 3417 B12R1.367 CNC(C)c1ccc(c(c1)C)Br 269862a_106832991636_100000697869 [0,2,0,0,0,0|2,0,0]=4 3418 B12R1.367 CNC(C)c1ccc(c(c1)C)C 269862a_106832991636_100000210971 [0,2,0,0,0,0|2,0,0]=4 3419 B12R1.367 CNC(C)c1ccc(c(c1)C)Cl 269862a_106832991636_100011216000 [0,2,0,0,0,0|2,0,0]=4 3420 B12R1.367 CNC(C)c1ccc(c(c1)C)F 2230a_100000705826_200000210301 [0,2,0,0,0,0|2,0,0]=4 3421 B12R1.367 CNC(C)c1ccc(c(c1)C)F 269862a_106832991636_100000754758 [0,2,0,0,0,0|2,0,0]=4 3422 B12R1.367 CNC(C)c1ccc(c(c1)C)F 34a_100000705826_200000210301 [0,2,0,0,0,0|2,0,0]=4 3423 B12R1.367 CNC(C)c1ccc(c(c1)C)O 269862a_106832991636_100000188726 [0,2,0,0,0,0|2,0,0]=4 3424 B12R1.367 CNC(C)c1ccc(c(c1)Cl)Br 269862a_106832991636_100012353846 [0,2,0,0,0,0|2,0,0]=4 3425 B12R1.367 CNC(C)c1ccc(c(c1)Cl)C 2230a_100012005020_200000210301 [0,2,0,0,0,0|2,0,0]=4 3426 B12R1.367 CNC(C)c1ccc(c(c1)Cl)C 269862a_106832991636_100012002458 [0,2,0,0,0,0|2,0,0]=4 3427 B12R1.367 CNC(C)c1ccc(c(c1)Cl)C 34a_100012005020_200000210301 [0,2,0,0,0,0|2,0,0]=4 3428 B12R1.367 CNC(C)c1ccc(c(c1)Cl)Cl 2230a_100000743459_200000210301 [0,2,0,0,0,0|2,0,0]=4 3429 B12R1.367 CNC(C)c1ccc(c(c1)Cl)Cl 269862a_106832991636_100000210641 [0,2,0,0,0,0|2,0,0]=4 3430 B12R1.367 CNC(C)c1ccc(c(c1)Cl)Cl 34a_100000743459_200000210301 [0,2,0,0,0,0|2,0,0]=4 3431 B12R1.367 CNC(C)c1ccc(c(c1)Cl)F 269862a_106832991636_100000737303 [0,2,0,0,0,0|2,0,0]=4 3432 B12R1.367 CNC(C)c1ccc(c(c1)Cl)O 269862a_106832991636_100000188625 [0,2,0,0,0,0|2,0,0]=4 3433 B12R1.367 CNC(C)c1ccc(c(c1)F)Br 269862a_106832991636_100000690002 [0,2,0,0,0,0|2,0,0]=4 3434 B12R1.367 CNC(C)c1ccc(c(c1)F)C 269862a_106832991636_100000767010 [0,2,0,0,0,0|2,0,0]=4 3435 B12R1.367 CNC(C)c1ccc(c(c1)F)Cl 269862a_106832991636_100000693814 [0,2,0,0,0,0|2,0,0]=4 3436 B12R1.367 CNC(C)c1ccc(c(c1)F)F 2230a_100000756309_200000210301 [0,2,0,0,0,0|2,0,0]=4 3437 B12R1.367 CNC(C)c1ccc(c(c1)F)F 269862a_106832991636_100000184692 [0,2,0,0,0,0|2,0,0]=4 3438 B12R1.367 CNC(C)c1ccc(c(c1)F)F 34a_100000756309_200000210301 [0,2,0,0,0,0|2,0,0]=4 3439 B12R1.367 CNC(C)c1ccc(c(c1)F)O 269862a_106832991636_100000751691 [0,2,0,0,0,0|2,0,0]=4 3440 B12R1.367 CNC(C)c1ccc(c(c1)I)Br 269862a_106832991636_100010146556 [0,2,0,0,0,0|2,0,0]=4 3441 B12R1.367 CNC(C)c1ccc(c(c1)O)C 269862a_106832991636_100000084092 [0,2,0,0,0,0|2,0,0]=4 3442 B12R1.367 CNC(C)c1ccc(c(c1)O)F 269862a_106832991636_100000117923 [0,2,0,0,0,0|2,0,0]=4 3443 B12R1.367 CN[C@@H](C)c1ccc(c(c1)Br)F 2230a_100000753309_200000210301 [0,2,0,0,0,0|2,0,0]=4 3444 B12R1.367 CN[C@@H](C)c1ccc(c(c1)Br)F 34a_100000753309_200000210301 [0,2,0,0,0,0|2,0,0]=4 3445 B12R1.367 CN[C@@H](C)c1ccc(c(c1)F)Br 2230a_100134618348_200000210301 [0,2,0,0,0,0|2,0,0]=4 3446 B12R1.367 CN[C@@H](C)c1ccc(c(c1)F)Br 34a_100134618348_200000210301 [0,2,0,0,0,0|2,0,0]=4 3447 B12R1.367 CN[C@@H](C)c1ccc(c(c1)F)C 2230a_100011997884_200000210301 [0,2,0,0,0,0|2,0,0]=4 3448 B12R1.367 CN[C@@H](C)c1ccc(c(c1)F)C 34a_100011997884_200000210301 [0,2,0,0,0,0|2,0,0]=4 3449 B12R1.367 CN[C@H](C)c1ccc(c(c1)C)C 2230a_100015184928_200000210301 [0,2,0,0,0,0|2,0,0]=4 3450 B12R1.367 CN[C@H](C)c1ccc(c(c1)C)C 34a_100015184928_200000210301 [0,2,0,0,0,0|2,0,0]=4 3451 B12R1.367 CN[C@H](C)c1ccc(c(c1)Cl)F 2230a_100016987892_200000210301 [0,2,0,0,0,0|2,0,0]=4 3452 B12R1.367 CN[C@H](C)c1ccc(c(c1)Cl)F 34a_100016987892_200000210301 [0,2,0,0,0,0|2,0,0]=4 3453 B12R1.367 CN[C@H](C)c1ccc(c(c1)F)Cl 2230a_100016987903_200000210301 [0,2,0,0,0,0|2,0,0]=4 3454 B12R1.367 CN[C@H](C)c1ccc(c(c1)F)Cl 34a_100016987903_200000210301 [0,2,0,0,0,0|2,0,0]=4 3455 B12R1.367 COC(C)c1ccc(c(c1)Br)F 34a_100011191524_200000210301 [0,2,0,0,0,0|2,0,0]=4 3456 B12R1.367 COC(C)c1ccc(c(c1)Br)F 7a_100011191524_200000210301 [0,2,0,0,0,0|2,0,0]=4 3457 B12R1.367 COC(C)c1ccc(c(c1)Cl)Cl 34a_100000742046_200000210301 [0,2,0,0,0,0|2,0,0]=4 3458 B12R1.367 COC(C)c1ccc(c(c1)Cl)Cl 7a_100000742046_200000210301 [0,2,0,0,0,0|2,0,0]=4 3459 B12R1.367 COC(C)c1ccc(c(c1)F)Cl 34a_100011944057_200000210301 [0,2,0,0,0,0|2,0,0]=4 3460 B12R1.367 COC(C)c1ccc(c(c1)F)Cl 7a_100011944057_200000210301 [0,2,0,0,0,0|2,0,0]=4 3461 B12R1.367 COC(C)c1ccc(c(c1)F)F 34a_100000246517_200000210301 [0,2,0,0,0,0|2,0,0]=4 3462 B12R1.367 COC(C)c1ccc(c(c1)F)F 7a_100000246517_200000210301 [0,2,0,0,0,0|2,0,0]=4 3463 B12R1.367 C[C@@H](N[13CH3])c1ccc(c(c1)Cl)F 2230a_100016987892_200025704644 [0,2,0,0,0,0|2,0,0]=4 3464 B12R1.367 C[C@@H](N[13CH3])c1ccc(c(c1)Cl)F 34a_100016987892_200025704644 [0,2,0,0,0,0|2,0,0]=4 3465 B12R1.367 C[C@@H](N[13CH3])c1ccc(c(c1)F)Cl 2230a_100016987903_200025704644 [0,2,0,0,0,0|2,0,0]=4 3466 B12R1.367 C[C@@H](N[13CH3])c1ccc(c(c1)F)Cl 34a_100016987903_200025704644 [0,2,0,0,0,0|2,0,0]=4 3467 B12R1.367 C[C@H](N[13CH3])c1ccc(c(c1)Br)F 2230a_100000753309_200025704644 [0,2,0,0,0,0|2,0,0]=4 3468 B12R1.367 C[C@H](N[13CH3])c1ccc(c(c1)Br)F 34a_100000753309_200025704644 [0,2,0,0,0,0|2,0,0]=4 3469 B12R1.367 C[C@H](N[13CH3])c1ccc(c(c1)F)Br 2230a_100134618348_200025704644 [0,2,0,0,0,0|2,0,0]=4 3470 B12R1.367 C[C@H](N[13CH3])c1ccc(c(c1)F)Br 34a_100134618348_200025704644 [0,2,0,0,0,0|2,0,0]=4 3471 B12R1.367 Cc1cc(ccc1F)C(C)N[13CH3] 2230a_100000705826_200025704644 [0,2,0,0,0,0|2,0,0]=4 3472 B12R1.367 Cc1cc(ccc1F)C(C)N[13CH3] 34a_100000705826_200025704644 [0,2,0,0,0,0|2,0,0]=4 3473 B12R1.367 Cc1ccc(cc1C)[C@@H](C)N[13CH3] 2230a_100015184928_200025704644 [0,2,0,0,0,0|2,0,0]=4 3474 B12R1.367 Cc1ccc(cc1C)[C@@H](C)N[13CH3] 34a_100015184928_200025704644 [0,2,0,0,0,0|2,0,0]=4 3475 B12R1.367 Cc1ccc(cc1Cl)C(C)N[13CH3] 2230a_100012005020_200025704644 [0,2,0,0,0,0|2,0,0]=4 3476 B12R1.367 Cc1ccc(cc1Cl)C(C)N[13CH3] 34a_100012005020_200025704644 [0,2,0,0,0,0|2,0,0]=4 3477 B12R1.367 Cc1ccc(cc1F)[C@H](C)N[13CH3] 2230a_100011997884_200025704644 [0,2,0,0,0,0|2,0,0]=4 3478 B12R1.367 Cc1ccc(cc1F)[C@H](C)N[13CH3] 34a_100011997884_200025704644 [0,2,0,0,0,0|2,0,0]=4 3479 B12R1.1703 CC(N[13CH3])c1ccc(cc1Cl)Cl 2230a_100000179772_200025704644 [0,2,0,0,0,0|2,0,0]=4 3480 B12R1.1703 CC(N[13CH3])c1ccc(cc1Cl)Cl 34a_100000179772_200025704644 [0,2,0,0,0,0|2,0,0]=4 3481 B12R1.1703 CC(N[13CH3])c1ccc(cc1F)Br 2230a_100000730447_200025704644 [0,2,0,0,0,0|2,0,0]=4 3482 B12R1.1703 CC(N[13CH3])c1ccc(cc1F)Br 34a_100000730447_200025704644 [0,2,0,0,0,0|2,0,0]=4 3483 B12R1.1703 CC(N[13CH3])c1ccc(cc1F)F 2230a_100000181410_200025704644 [0,2,0,0,0,0|2,0,0]=4 3484 B12R1.1703 CC(N[13CH3])c1ccc(cc1F)F 34a_100000181410_200025704644 [0,2,0,0,0,0|2,0,0]=4 3485 B12R1.1703 CC(O[13CH3])c1ccc(cc1Cl)Cl 34a_100000743050_200025704644 [0,2,0,0,0,0|2,0,0]=4 3486 B12R1.1703 CC(O[13CH3])c1ccc(cc1Cl)Cl 7a_100000743050_200025704644 [0,2,0,0,0,0|2,0,0]=4 3487 B12R1.1703 CC(O[13CH3])c1ccc(cc1Cl)F 34a_200011245020_200025704644 [0,2,0,0,0,0|2,0,0]=4 3488 B12R1.1703 CC(O[13CH3])c1ccc(cc1Cl)F 7a_200011245020_200025704644 [0,2,0,0,0,0|2,0,0]=4 3489 B12R1.1703 CC(O[13CH3])c1ccc(cc1F)Cl 34a_200011805215_200025704644 [0,2,0,0,0,0|2,0,0]=4 3490 B12R1.1703 CC(O[13CH3])c1ccc(cc1F)Cl 7a_200011805215_200025704644 [0,2,0,0,0,0|2,0,0]=4 3491 B12R1.1703 CC(O[13CH3])c1ccc(cc1F)F 34a_200000246518_200025704644 [0,2,0,0,0,0|2,0,0]=4 3492 B12R1.1703 CC(O[13CH3])c1ccc(cc1F)F 7a_200000246518_200025704644 [0,2,0,0,0,0|2,0,0]=4 3493 B12R1.1703 CNC(C)c1ccc(cc1Br)Br 269862a_106832991636_100000183147 [0,2,0,0,0,0|2,0,0]=4 3494 B12R1.1703 CNC(C)c1ccc(cc1Br)C 269862a_106832991636_100012353930 [0,2,0,0,0,0|2,0,0]=4 3495 B12R1.1703 CNC(C)c1ccc(cc1Br)Cl 269862a_106832991636_100011934292 [0,2,0,0,0,0|2,0,0]=4 3496 B12R1.1703 CNC(C)c1ccc(cc1Br)F 269862a_106832991636_100000686192 [0,2,0,0,0,0|2,0,0]=4 3497 B12R1.1703 CNC(C)c1ccc(cc1C)Br 269862a_106832991636_100012360112 [0,2,0,0,0,0|2,0,0]=4 3498 B12R1.1703 CNC(C)c1ccc(cc1C)C 269862a_106832991636_100000211561 [0,2,0,0,0,0|2,0,0]=4 3499 B12R1.1703 CNC(C)c1ccc(cc1C)Cl 269862a_106832991636_100011998434 [0,2,0,0,0,0|2,0,0]=4 3500 B12R1.1703 CNC(C)c1ccc(cc1C)F 269862a_106832991636_100000753884 [0,2,0,0,0,0|2,0,0]=4 3501 B12R1.1703 CNC(C)c1ccc(cc1Cl)Br 269862a_106832991636_100000693907 [0,2,0,0,0,0|2,0,0]=4 3502 B12R1.1703 CNC(C)c1ccc(cc1Cl)Cl 2230a_100000179772_200000210301 [0,2,0,0,0,0|2,0,0]=4 3503 B12R1.1703 CNC(C)c1ccc(cc1Cl)Cl 269862a_106832991636_100000210972 [0,2,0,0,0,0|2,0,0]=4 3504 B12R1.1703 CNC(C)c1ccc(cc1Cl)Cl 34a_100000179772_200000210301 [0,2,0,0,0,0|2,0,0]=4 3505 B12R1.1703 CNC(C)c1ccc(cc1Cl)F 269862a_106832991636_100000214953 [0,2,0,0,0,0|2,0,0]=4 3506 B12R1.1703 CNC(C)c1ccc(cc1F)Br 2230a_100000730447_200000210301 [0,2,0,0,0,0|2,0,0]=4 3507 B12R1.1703 CNC(C)c1ccc(cc1F)Br 269862a_106832991636_100000690205 [0,2,0,0,0,0|2,0,0]=4 3508 B12R1.1703 CNC(C)c1ccc(cc1F)Br 34a_100000730447_200000210301 [0,2,0,0,0,0|2,0,0]=4 3509 B12R1.1703 CNC(C)c1ccc(cc1F)C 269862a_106832991636_100011216410 [0,2,0,0,0,0|2,0,0]=4 3510 B12R1.1703 CNC(C)c1ccc(cc1F)Cl 269862a_106832991636_100011805184 [0,2,0,0,0,0|2,0,0]=4 3511 B12R1.1703 CNC(C)c1ccc(cc1F)F 2230a_100000181410_200000210301 [0,2,0,0,0,0|2,0,0]=4 3512 B12R1.1703 CNC(C)c1ccc(cc1F)F 269862a_106832991636_100000185200 [0,2,0,0,0,0|2,0,0]=4 3513 B12R1.1703 CNC(C)c1ccc(cc1F)F 34a_100000181410_200000210301 [0,2,0,0,0,0|2,0,0]=4 3514 B12R1.1703 CNC(C)c1ccc(cc1O)Br 269862a_106832991636_100000188348 [0,2,0,0,0,0|2,0,0]=4 3515 B12R1.1703 CNC(C)c1ccc(cc1O)C 269862a_106832991636_100000234885 [0,2,0,0,0,0|2,0,0]=4 3516 B12R1.1703 CNC(C)c1ccc(cc1O)Cl 269862a_106832991636_100000061402 [0,2,0,0,0,0|2,0,0]=4 3517 B12R1.1703 CNC(C)c1ccc(cc1O)F 269862a_106832991636_100011215782 [0,2,0,0,0,0|2,0,0]=4 3518 B12R1.1703 CN[C@@H](C)c1ccc(cc1C)C 2230a_100000745882_200000210301 [0,2,0,0,0,0|2,0,0]=4 3519 B12R1.1703 CN[C@@H](C)c1ccc(cc1C)C 34a_100000745882_200000210301 [0,2,0,0,0,0|2,0,0]=4 3520 B12R1.1703 CN[C@@H](C)c1ccc(cc1C)Cl 2230a_100020633667_200000210301 [0,2,0,0,0,0|2,0,0]=4 3521 B12R1.1703 CN[C@@H](C)c1ccc(cc1C)Cl 34a_100020633667_200000210301 [0,2,0,0,0,0|2,0,0]=4 3522 B12R1.1703 CN[C@H](C)c1ccc(cc1Br)F 2230a_100025704064_200000210301 [0,2,0,0,0,0|2,0,0]=4 3523 B12R1.1703 CN[C@H](C)c1ccc(cc1Br)F 34a_100025704064_200000210301 [0,2,0,0,0,0|2,0,0]=4 3524 B12R1.1703 CN[C@H](C)c1ccc(cc1Cl)F 2230a_100015196781_200000210301 [0,2,0,0,0,0|2,0,0]=4 3525 B12R1.1703 CN[C@H](C)c1ccc(cc1Cl)F 34a_100015196781_200000210301 [0,2,0,0,0,0|2,0,0]=4 3526 B12R1.1703 COC(C)c1ccc(cc1C)C 34a_100000246504_200000210301 [0,2,0,0,0,0|2,0,0]=4 3527 B12R1.1703 COC(C)c1ccc(cc1C)C 7a_100000246504_200000210301 [0,2,0,0,0,0|2,0,0]=4 3528 B12R1.1703 COC(C)c1ccc(cc1Cl)Cl 34a_100000743050_200000210301 [0,2,0,0,0,0|2,0,0]=4 3529 B12R1.1703 COC(C)c1ccc(cc1Cl)Cl 7a_100000743050_200000210301 [0,2,0,0,0,0|2,0,0]=4 3530 B12R1.1703 COC(C)c1ccc(cc1Cl)F 34a_200011245020_200000210301 [0,2,0,0,0,0|2,0,0]=4 3531 B12R1.1703 COC(C)c1ccc(cc1Cl)F 7a_200011245020_200000210301 [0,2,0,0,0,0|2,0,0]=4 3532 B12R1.1703 COC(C)c1ccc(cc1F)Cl 34a_200011805215_200000210301 [0,2,0,0,0,0|2,0,0]=4 3533 B12R1.1703 COC(C)c1ccc(cc1F)Cl 7a_200011805215_200000210301 [0,2,0,0,0,0|2,0,0]=4 3534 B12R1.1703 COC(C)c1ccc(cc1F)F 34a_200000246518_200000210301 [0,2,0,0,0,0|2,0,0]=4 3535 B12R1.1703 COC(C)c1ccc(cc1F)F 7a_200000246518_200000210301 [0,2,0,0,0,0|2,0,0]=4 3536 B12R1.1703 C[C@@H](N[13CH3])c1ccc(cc1Br)F 2230a_100025704064_200025704644 [0,2,0,0,0,0|2,0,0]=4 3537 B12R1.1703 C[C@@H](N[13CH3])c1ccc(cc1Br)F 34a_100025704064_200025704644 [0,2,0,0,0,0|2,0,0]=4 3538 B12R1.1703 C[C@@H](N[13CH3])c1ccc(cc1Cl)F 2230a_100015196781_200025704644 [0,2,0,0,0,0|2,0,0]=4 3539 B12R1.1703 C[C@@H](N[13CH3])c1ccc(cc1Cl)F 34a_100015196781_200025704644 [0,2,0,0,0,0|2,0,0]=4 3540 B12R1.1703 Cc1cc(ccc1[C@H](C)N[13CH3])Cl 2230a_100020633667_200025704644 [0,2,0,0,0,0|2,0,0]=4 3541 B12R1.1703 Cc1cc(ccc1[C@H](C)N[13CH3])Cl 34a_100020633667_200025704644 [0,2,0,0,0,0|2,0,0]=4 3542 B12R1.1703 Cc1ccc(c(c1)C)C(C)O[13CH3] 34a_100000246504_200025704644 [0,2,0,0,0,0|2,0,0]=4 3543 B12R1.1703 Cc1ccc(c(c1)C)C(C)O[13CH3] 7a_100000246504_200025704644 [0,2,0,0,0,0|2,0,0]=4 3544 B12R1.1703 Cc1ccc(c(c1)C)[C@H](C)N[13CH3] 2230a_100000745882_200025704644 [0,2,0,0,0,0|2,0,0]=4 3545 B12R1.1703 Cc1ccc(c(c1)C)[C@H](C)N[13CH3] 34a_100000745882_200025704644 [0,2,0,0,0,0|2,0,0]=4 3546 B12R1.24 CC(N[13CH3])c1cccc(c1Cl)Cl 2230a_100015335525_200025704644 [0,2,0,0,0,0|2,0,0]=4 3547 B12R1.24 CC(N[13CH3])c1cccc(c1Cl)Cl 34a_100015335525_200025704644 [0,2,0,0,0,0|2,0,0]=4 3548 B12R1.24 CC(N[13CH3])c1cccc(c1Cl)F 2230a_100103153465_200025704644 [0,2,0,0,0,0|2,0,0]=4 3549 B12R1.24 CC(N[13CH3])c1cccc(c1Cl)F 34a_100103153465_200025704644 [0,2,0,0,0,0|2,0,0]=4 3550 B12R1.24 CC(O[13CH3])c1cccc(c1F)Br 34a_200012356376_200025704644 [0,2,0,0,0,0|2,0,0]=4 3551 B12R1.24 CC(O[13CH3])c1cccc(c1F)Br 7a_200012356376_200025704644 [0,2,0,0,0,0|2,0,0]=4 3552 B12R1.24 CC(O[13CH3])c1cccc(c1F)F 34a_100011944069_200025704644 [0,2,0,0,0,0|2,0,0]=4 3553 B12R1.24 CC(O[13CH3])c1cccc(c1F)F 7a_100011944069_200025704644 [0,2,0,0,0,0|2,0,0]=4 3554 B12R1.24 CNC(C)c1cccc(c1Br)Cl 269862a_106832991636_100010145520 [0,2,0,0,0,0|2,0,0]=4 3555 B12R1.24 CNC(C)c1cccc(c1Br)F 269862a_106832991636_100012362612 [0,2,0,0,0,0|2,0,0]=4 3556 B12R1.24 CNC(C)c1cccc(c1C)Br 269862a_106832991636_100012706834 [0,2,0,0,0,0|2,0,0]=4 3557 B12R1.24 CNC(C)c1cccc(c1C)C 2230a_106832991635_100012183177 [0,2,0,0,0,0|2,0,0]=4 3558 B12R1.24 CNC(C)c1cccc(c1C)C 269862a_106832991636_100000756305 [0,2,0,0,0,0|2,0,0]=4 3559 B12R1.24 CNC(C)c1cccc(c1C)C 34a_100102657272_100012183177 [0,2,0,0,0,0|2,0,0]=4 3560 B12R1.24 CNC(C)c1cccc(c1C)C 7a_106832991635_100012183177 [0,2,0,0,0,0|2,0,0]=4 3561 B12R1.24 CNC(C)c1cccc(c1C)Cl 269862a_106832991636_100012002460 [0,2,0,0,0,0|2,0,0]=4 3562 B12R1.24 CNC(C)c1cccc(c1C)F 269862a_106832991636_100000061526 [0,2,0,0,0,0|2,0,0]=4 3563 B12R1.24 CNC(C)c1cccc(c1C)I 269862a_106832991636_100010725598 [0,2,0,0,0,0|2,0,0]=4 3564 B12R1.24 CNC(C)c1cccc(c1Cl)Br 269862a_106832991636_100012349481 [0,2,0,0,0,0|2,0,0]=4 3565 B12R1.24 CNC(C)c1cccc(c1Cl)Cl 2230a_100015335525_200000210301 [0,2,0,0,0,0|2,0,0]=4 3566 B12R1.24 CNC(C)c1cccc(c1Cl)Cl 269862a_106832991636_100000756844 [0,2,0,0,0,0|2,0,0]=4 3567 B12R1.24 CNC(C)c1cccc(c1Cl)Cl 34a_100015335525_200000210301 [0,2,0,0,0,0|2,0,0]=4 3568 B12R1.24 CNC(C)c1cccc(c1Cl)F 2230a_100103153465_200000210301 [0,2,0,0,0,0|2,0,0]=4 3569 B12R1.24 CNC(C)c1cccc(c1Cl)F 269862a_106832991636_100000699253 [0,2,0,0,0,0|2,0,0]=4 3570 B12R1.24 CNC(C)c1cccc(c1Cl)F 34a_100103153465_200000210301 [0,2,0,0,0,0|2,0,0]=4 3571 B12R1.24 CNC(C)c1cccc(c1F)Br 269862a_106832991636_100012355707 [0,2,0,0,0,0|2,0,0]=4 3572 B12R1.24 CNC(C)c1cccc(c1F)C 269862a_106832991636_100012182731 [0,2,0,0,0,0|2,0,0]=4 3573 B12R1.24 CNC(C)c1cccc(c1F)Cl 269862a_106832991636_100011830330 [0,2,0,0,0,0|2,0,0]=4 3574 B12R1.24 CNC(C)c1cccc(c1F)F 269862a_106832991636_100000696358 [0,2,0,0,0,0|2,0,0]=4 3575 B12R1.24 CNC(C)c1cccc(c1O)Br 269862a_106832991636_100009815558 [0,2,0,0,0,0|2,0,0]=4 3576 B12R1.24 CNC(C)c1cccc(c1O)C 269862a_106832991636_100009847209 [0,2,0,0,0,0|2,0,0]=4 3577 B12R1.24 CNC(C)c1cccc(c1O)Cl 269862a_106832991636_100000043392 [0,2,0,0,0,0|2,0,0]=4 3578 B12R1.24 CNC(C)c1cccc(c1O)F 269862a_106832991636_100011246037 [0,2,0,0,0,0|2,0,0]=4 3579 B12R1.24 CN[C@@H](C)c1cccc(c1F)F 2230a_100020612118_200000210301 [0,2,0,0,0,0|2,0,0]=4 3580 B12R1.24 CN[C@@H](C)c1cccc(c1F)F 34a_100020612118_200000210301 [0,2,0,0,0,0|2,0,0]=4 3581 B12R1.24 CN[C@H](C)c1cccc(c1F)Cl 2230a_100016987989_200000210301 [0,2,0,0,0,0|2,0,0]=4 3582 B12R1.24 CN[C@H](C)c1cccc(c1F)Cl 34a_100016987989_200000210301 [0,2,0,0,0,0|2,0,0]=4 3583 B12R1.24 COC(C)c1cccc(c1C)C 34a_100138415774_100012183177 [0,2,0,0,0,0|2,0,0]=4 3584 B12R1.24 COC(C)c1cccc(c1F)Br 34a_200012356376_200000210301 [0,2,0,0,0,0|2,0,0]=4 3585 B12R1.24 COC(C)c1cccc(c1F)Br 7a_200012356376_200000210301 [0,2,0,0,0,0|2,0,0]=4 3586 B12R1.24 COC(C)c1cccc(c1F)F 34a_100011944069_200000210301 [0,2,0,0,0,0|2,0,0]=4 3587 B12R1.24 COC(C)c1cccc(c1F)F 7a_100011944069_200000210301 [0,2,0,0,0,0|2,0,0]=4 3588 B12R1.24 COC(C)c1cccc(c1F)O 271570a_203496583355_200010365929 [0,2,0,0,0,0|2,0,0]=4 3589 B12R1.24 CSC(C)c1cccc(c1C)C 62a_100012183177_200000210301 [0,2,0,0,0,0|2,0,0]=4 3590 B12R1.24 CSC(C)c1cccc(c1C)C 62a_200000210301_100012183177 [0,2,0,0,0,0|2,0,0]=4 3591 B12R1.24 C[C@@H](N[13CH3])c1cccc(c1F)Cl 2230a_100016987989_200025704644 [0,2,0,0,0,0|2,0,0]=4 3592 B12R1.24 C[C@@H](N[13CH3])c1cccc(c1F)Cl 34a_100016987989_200025704644 [0,2,0,0,0,0|2,0,0]=4 3593 B12R1.24 C[C@H](N[13CH3])c1cccc(c1F)F 2230a_100020612118_200025704644 [0,2,0,0,0,0|2,0,0]=4 3594 B12R1.24 C[C@H](N[13CH3])c1cccc(c1F)F 34a_100020612118_200025704644 [0,2,0,0,0,0|2,0,0]=4 3595 B12R1.24 Cc1cccc(c1C)C(C)S[13CH3] 62a_100012183177_200025704644 [0,2,0,0,0,0|2,0,0]=4 3596 B12R1.24 Cc1cccc(c1C)C(C)S[13CH3] 62a_200025704644_100012183177 [0,2,0,0,0,0|2,0,0]=4 3597 B12R1.225 CC(=C(C)c1cccc(c1)Br)C 271570a_200000049429_100000691529 [0,2,0,0,0,0|1,0,1]=4 3598 B12R1.225 CC(=C(C)c1cccc(c1)C)C 271570a_200000049429_100011215228 [0,2,0,0,0,0|1,0,1]=4 3599 B12R1.225 CC(=C(C)c1cccc(c1)Cl)C 271570a_200000049429_100000699651 [0,2,0,0,0,0|1,0,1]=4 3600 B12R1.225 CC(=C(C)c1cccc(c1)F)C 271570a_200000049429_100000685547 [0,2,0,0,0,0|1,0,1]=4 3601 B12R1.225 CC(=C(C)c1cccc(c1)N)C 271570a_200000049429_100000210019 [0,2,0,0,0,0|1,0,1]=4 3602 B12R1.225 CC(=C(C)c1cccc(c1)O)C 271570a_200000049429_100000211634 [0,2,0,0,0,0|1,0,1]=4 3603 B12R1.225 CC(=C(C)c1cccc(c1)[S])C 271570a_200000049429_114929384022 [0,2,0,0,0,0|1,0,1]=4 3604 B12R1.225 CC(=O)C(C)c1cccc(c1)Br 1458a_100000722698_200000210301 [0,2,0,0,0,0|0,0,0]=2 3605 B12R1.225 CC(=O)C(C)c1cccc(c1)Cl 1458a_100000762818_200000210301 [0,2,0,0,0,0|0,0,0]=2 3606 B12R1.225 CC(=O)C(C)c1cccc(c1)F 1458a_100000762896_200000210301 [0,2,0,0,0,0|0,0,0]=2 3607 B12R1.225 CC(=O)C(O)c1cccc(c1)C 1458a_100011434945_200000210301 [0,2,0,0,0,0|1,0,0]=3 3608 B12R1.225 CC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200000210301 [0,2,0,0,0,0|1,0,0]=3 3609 B12R1.225 CC(=O)C(O)c1cccc(c1)F 1458a_100011434943_200000210301 [0,2,0,0,0,0|1,0,0]=3 3610 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 11a_100000219648_100015343762 [0,2,0,0,0,0|1,0,0]=3 3611 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 1626a_100000219648_100015343762 [0,2,0,0,0,0|1,0,0]=3 3612 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 22a_100000219648_100000070787 [0,2,0,0,0,0|1,0,0]=3 3613 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 527a_100000219648_100103153847 [0,2,0,0,0,0|1,0,0]=3 3614 B12R1.225 CC(=O)N(C)c1cccc(c1)C 11a_100000219674_100015343762 [0,2,0,0,0,0|1,0,0]=3 3615 B12R1.225 CC(=O)N(C)c1cccc(c1)C 1626a_100000219674_100015343762 [0,2,0,0,0,0|1,0,0]=3 3616 B12R1.225 CC(=O)N(C)c1cccc(c1)C 22a_100000219674_100000070787 [0,2,0,0,0,0|1,0,0]=3 3617 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 11a_100000220044_100015343762 [0,2,0,0,0,0|1,0,0]=3 3618 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 1626a_100000220044_100015343762 [0,2,0,0,0,0|1,0,0]=3 3619 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 22a_100000220044_100000070787 [0,2,0,0,0,0|1,0,0]=3 3620 B12R1.225 CC(=O)N(C)c1cccc(c1)F 11a_100020633736_100015343762 [0,2,0,0,0,0|1,0,0]=3 3621 B12R1.225 CC(=O)N(C)c1cccc(c1)F 1626a_100020633736_100015343762 [0,2,0,0,0,0|1,0,0]=3 3622 B12R1.225 CC(=O)N(C)c1cccc(c1)F 22a_100020633736_100000070787 [0,2,0,0,0,0|1,0,0]=3 3623 B12R1.225 CC(=O)N(C)c1cccc(c1)I 11a_100000221217_100015343762 [0,2,0,0,0,0|1,0,0]=3 3624 B12R1.225 CC(=O)N(C)c1cccc(c1)I 1626a_100000221217_100015343762 [0,2,0,0,0,0|1,0,0]=3 3625 B12R1.225 CC(=O)N(C)c1cccc(c1)I 22a_100000221217_100000070787 [0,2,0,0,0,0|1,0,0]=3 3626 B12R1.225 CC(=O)N(C)c1cccc(c1)O 527a_100000756613_100103153847 [0,2,0,0,0,0|1,0,0]=3 3627 B12R1.225 CC(=O)[C@H](C)c1cccc(c1)C 1458a_200009911544_200000210301 [0,2,0,0,0,0|0,0,0]=2 3628 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Br 1458a_100000722698_200025704644 [0,2,0,0,0,0|0,0,0]=2 3629 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Cl 1458a_100000762818_200025704644 [0,2,0,0,0,0|0,0,0]=2 3630 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)F 1458a_100000762896_200025704644 [0,2,0,0,0,0|0,0,0]=2 3631 B12R1.225 CC(c1cccc(c1)Br)N(C)C 2230a_100025717457_200000210301 [0,2,0,0,0,0|2,0,0]=4 3632 B12R1.225 CC(c1cccc(c1)Br)N(C)C 269982a_100025717457_200000210301 [0,2,0,0,0,0|2,0,0]=4 3633 B12R1.225 CC(c1cccc(c1)Br)N(C)[13CH3] 2230a_100025717457_200025704644 [0,2,0,0,0,0|2,0,0]=4 3634 B12R1.225 CC(c1cccc(c1)Br)N(C)[13CH3] 269982a_100025717457_200025704644 [0,2,0,0,0,0|2,0,0]=4 3635 B12R1.225 CC(c1cccc(c1)F)N(C)C 2230a_100000231114_200000210301 [0,2,0,0,0,0|2,0,0]=4 3636 B12R1.225 CC(c1cccc(c1)F)N(C)C 269982a_100000231114_200000210301 [0,2,0,0,0,0|2,0,0]=4 3637 B12R1.225 CC(c1cccc(c1)F)N(C)C 34a_100000231114_200000210301 [0,2,0,0,0,0|2,0,0]=4 3638 B12R1.225 CC(c1cccc(c1)F)N(C)[13CH3] 2230a_100000231114_200025704644 [0,2,0,0,0,0|2,0,0]=4 3639 B12R1.225 CC(c1cccc(c1)F)N(C)[13CH3] 269982a_100000231114_200025704644 [0,2,0,0,0,0|2,0,0]=4 3640 B12R1.225 CC(c1cccc(c1)F)N(C)[13CH3] 34a_100000231114_200025704644 [0,2,0,0,0,0|2,0,0]=4 3641 B12R1.225 Cc1cccc(c1)C(O)C(=O)[13CH3] 1458a_100011434945_200025704644 [0,2,0,0,0,0|1,0,0]=3 3642 B12R1.225 Cc1cccc(c1)[C@@H](C)C(=O)[13CH3] 1458a_200009911544_200025704644 [0,2,0,0,0,0|0,0,0]=2 3643 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200025704644 [0,2,0,0,0,0|1,0,0]=3 3644 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)F 1458a_100011434943_200025704644 [0,2,0,0,0,0|1,0,0]=3 3645 B12R1.354 CC(N[13CH3])c1cc(ccc1Br)F 2230a_100012343209_200025704644 [0,2,0,0,0,0|2,0,0]=4 3646 B12R1.354 CC(N[13CH3])c1cc(ccc1Br)F 34a_100012343209_200025704644 [0,2,0,0,0,0|2,0,0]=4 3647 B12R1.354 CC(N[13CH3])c1cc(ccc1Cl)Cl 2230a_100000737532_200025704644 [0,2,0,0,0,0|2,0,0]=4 3648 B12R1.354 CC(N[13CH3])c1cc(ccc1Cl)Cl 34a_100000737532_200025704644 [0,2,0,0,0,0|2,0,0]=4 3649 B12R1.354 CC(N[13CH3])c1cc(ccc1F)F 2230a_100000737541_200025704644 [0,2,0,0,0,0|2,0,0]=4 3650 B12R1.354 CC(N[13CH3])c1cc(ccc1F)F 34a_100000737541_200025704644 [0,2,0,0,0,0|2,0,0]=4 3651 B12R1.354 CC(O[13CH3])c1cc(ccc1Cl)Cl 34a_100000742519_200025704644 [0,2,0,0,0,0|2,0,0]=4 3652 B12R1.354 CC(O[13CH3])c1cc(ccc1Cl)Cl 7a_100000742519_200025704644 [0,2,0,0,0,0|2,0,0]=4 3653 B12R1.354 CC(O[13CH3])c1cc(ccc1F)Br 34a_100011943926_200025704644 [0,2,0,0,0,0|2,0,0]=4 3654 B12R1.354 CC(O[13CH3])c1cc(ccc1F)Br 7a_100011943926_200025704644 [0,2,0,0,0,0|2,0,0]=4 3655 B12R1.354 CC(O[13CH3])c1cc(ccc1F)F 34a_100000246540_200025704644 [0,2,0,0,0,0|2,0,0]=4 3656 B12R1.354 CC(O[13CH3])c1cc(ccc1F)F 7a_100000246540_200025704644 [0,2,0,0,0,0|2,0,0]=4 3657 B12R1.354 CNC(C)c1cc(ccc1Br)Br 269862a_106832991636_100011206948 [0,2,0,0,0,0|2,0,0]=4 3658 B12R1.354 CNC(C)c1cc(ccc1Br)C 269862a_106832991636_100012361225 [0,2,0,0,0,0|2,0,0]=4 3659 B12R1.354 CNC(C)c1cc(ccc1Br)Cl 269862a_106832991636_100012361343 [0,2,0,0,0,0|2,0,0]=4 3660 B12R1.354 CNC(C)c1cc(ccc1Br)F 2230a_100012343209_200000210301 [0,2,0,0,0,0|2,0,0]=4 3661 B12R1.354 CNC(C)c1cc(ccc1Br)F 269862a_106832991636_100012353695 [0,2,0,0,0,0|2,0,0]=4 3662 B12R1.354 CNC(C)c1cc(ccc1Br)F 34a_100012343209_200000210301 [0,2,0,0,0,0|2,0,0]=4 3663 B12R1.354 CNC(C)c1cc(ccc1C)Br 269862a_106832991636_100012706819 [0,2,0,0,0,0|2,0,0]=4 3664 B12R1.354 CNC(C)c1cc(ccc1C)C 269862a_106832991636_100000211711 [0,2,0,0,0,0|2,0,0]=4 3665 B12R1.354 CNC(C)c1cc(ccc1C)Cl 269862a_106832991636_100012002457 [0,2,0,0,0,0|2,0,0]=4 3666 B12R1.354 CNC(C)c1cc(ccc1C)F 2230a_100011191733_200000210301 [0,2,0,0,0,0|2,0,0]=4 3667 B12R1.354 CNC(C)c1cc(ccc1C)F 269862a_106832991636_100011220403 [0,2,0,0,0,0|2,0,0]=4 3668 B12R1.354 CNC(C)c1cc(ccc1C)F 34a_100011191733_200000210301 [0,2,0,0,0,0|2,0,0]=4 3669 B12R1.354 CNC(C)c1cc(ccc1Cl)Br 269862a_106832991636_100011934286 [0,2,0,0,0,0|2,0,0]=4 3670 B12R1.354 CNC(C)c1cc(ccc1Cl)Cl 2230a_100000737532_200000210301 [0,2,0,0,0,0|2,0,0]=4 3671 B12R1.354 CNC(C)c1cc(ccc1Cl)Cl 269862a_106832991636_100000184594 [0,2,0,0,0,0|2,0,0]=4 3672 B12R1.354 CNC(C)c1cc(ccc1Cl)Cl 34a_100000737532_200000210301 [0,2,0,0,0,0|2,0,0]=4 3673 B12R1.354 CNC(C)c1cc(ccc1Cl)F 269862a_106832991636_100011218795 [0,2,0,0,0,0|2,0,0]=4 3674 B12R1.354 CNC(C)c1cc(ccc1Cl)I 269862a_106832991636_100010712560 [0,2,0,0,0,0|2,0,0]=4 3675 B12R1.354 CNC(C)c1cc(ccc1F)Br 269862a_106832991636_100000689017 [0,2,0,0,0,0|2,0,0]=4 3676 B12R1.354 CNC(C)c1cc(ccc1F)C 269862a_106832991636_100000760338 [0,2,0,0,0,0|2,0,0]=4 3677 B12R1.354 CNC(C)c1cc(ccc1F)Cl 269862a_106832991636_100011218796 [0,2,0,0,0,0|2,0,0]=4 3678 B12R1.354 CNC(C)c1cc(ccc1F)F 2230a_100000737541_200000210301 [0,2,0,0,0,0|2,0,0]=4 3679 B12R1.354 CNC(C)c1cc(ccc1F)F 269862a_106832991636_100000185199 [0,2,0,0,0,0|2,0,0]=4 3680 B12R1.354 CNC(C)c1cc(ccc1F)F 34a_100000737541_200000210301 [0,2,0,0,0,0|2,0,0]=4 3681 B12R1.354 CNC(C)c1cc(ccc1F)I 269862a_106832991636_100010254839 [0,2,0,0,0,0|2,0,0]=4 3682 B12R1.354 CNC(C)c1cc(ccc1I)Br 269862a_106832991636_100012349576 [0,2,0,0,0,0|2,0,0]=4 3683 B12R1.354 CNC(C)c1cc(ccc1I)F 269862a_106832991636_100010200798 [0,2,0,0,0,0|2,0,0]=4 3684 B12R1.354 CNC(C)c1cc(ccc1O)Br 269862a_106832991636_100000212127 [0,2,0,0,0,0|2,0,0]=4 3685 B12R1.354 CNC(C)c1cc(ccc1O)C 269862a_106832991636_100000195442 [0,2,0,0,0,0|2,0,0]=4 3686 B12R1.354 CNC(C)c1cc(ccc1O)Cl 269862a_106832991636_100000185566 [0,2,0,0,0,0|2,0,0]=4 3687 B12R1.354 CNC(C)c1cc(ccc1O)F 269862a_106832991636_100000182812 [0,2,0,0,0,0|2,0,0]=4 3688 B12R1.354 CNC(C)c1cc(ccc1O)I 269862a_106832991636_100010712555 [0,2,0,0,0,0|2,0,0]=4 3689 B12R1.354 CN[C@@H](C)c1cc(ccc1C)C 2230a_100000695983_200000210301 [0,2,0,0,0,0|2,0,0]=4 3690 B12R1.354 CN[C@@H](C)c1cc(ccc1C)C 34a_100000695983_200000210301 [0,2,0,0,0,0|2,0,0]=4 3691 B12R1.354 CN[C@@H](C)c1cc(ccc1F)Cl 2230a_100000695052_200000210301 [0,2,0,0,0,0|2,0,0]=4 3692 B12R1.354 CN[C@@H](C)c1cc(ccc1F)Cl 34a_100000695052_200000210301 [0,2,0,0,0,0|2,0,0]=4 3693 B12R1.354 CN[C@@H](C)c1cc(ccc1O)F 2230a_100160469477_200000210301 [0,2,0,0,0,0|2,0,0]=4 3694 B12R1.354 CN[C@@H](C)c1cc(ccc1O)F 34a_100160469477_200000210301 [0,2,0,0,0,0|2,0,0]=4 3695 B12R1.354 CN[C@H](C)c1cc(ccc1O)Cl 2230a_100011853016_200000210301 [0,2,0,0,0,0|2,0,0]=4 3696 B12R1.354 CN[C@H](C)c1cc(ccc1O)Cl 34a_100011853016_200000210301 [0,2,0,0,0,0|2,0,0]=4 3697 B12R1.354 COC(C)c1cc(ccc1C)C 34a_200000246511_200000210301 [0,2,0,0,0,0|2,0,0]=4 3698 B12R1.354 COC(C)c1cc(ccc1C)C 7a_200000246511_200000210301 [0,2,0,0,0,0|2,0,0]=4 3699 B12R1.354 COC(C)c1cc(ccc1C)Cl 34a_100012002745_200000210301 [0,2,0,0,0,0|2,0,0]=4 3700 B12R1.354 COC(C)c1cc(ccc1C)Cl 7a_100012002745_200000210301 [0,2,0,0,0,0|2,0,0]=4 3701 B12R1.354 COC(C)c1cc(ccc1Cl)Cl 34a_100000742519_200000210301 [0,2,0,0,0,0|2,0,0]=4 3702 B12R1.354 COC(C)c1cc(ccc1Cl)Cl 7a_100000742519_200000210301 [0,2,0,0,0,0|2,0,0]=4 3703 B12R1.354 COC(C)c1cc(ccc1F)Br 34a_100011943926_200000210301 [0,2,0,0,0,0|2,0,0]=4 3704 B12R1.354 COC(C)c1cc(ccc1F)Br 7a_100011943926_200000210301 [0,2,0,0,0,0|2,0,0]=4 3705 B12R1.354 COC(C)c1cc(ccc1F)F 34a_100000246540_200000210301 [0,2,0,0,0,0|2,0,0]=4 3706 B12R1.354 COC(C)c1cc(ccc1F)F 7a_100000246540_200000210301 [0,2,0,0,0,0|2,0,0]=4 3707 B12R1.354 CO[C@@H](C)c1cc(ccc1I)F 34a_100134768474_200000210301 [0,2,0,0,0,0|2,0,0]=4 3708 B12R1.354 CO[C@@H](C)c1cc(ccc1I)F 7a_100134768474_200000210301 [0,2,0,0,0,0|2,0,0]=4 3709 B12R1.354 C[C@@H](N[13CH3])c1cc(ccc1O)Cl 2230a_100011853016_200025704644 [0,2,0,0,0,0|2,0,0]=4 3710 B12R1.354 C[C@@H](N[13CH3])c1cc(ccc1O)Cl 34a_100011853016_200025704644 [0,2,0,0,0,0|2,0,0]=4 3711 B12R1.354 C[C@H](N[13CH3])c1cc(ccc1F)Cl 2230a_100000695052_200025704644 [0,2,0,0,0,0|2,0,0]=4 3712 B12R1.354 C[C@H](N[13CH3])c1cc(ccc1F)Cl 34a_100000695052_200025704644 [0,2,0,0,0,0|2,0,0]=4 3713 B12R1.354 C[C@H](N[13CH3])c1cc(ccc1O)F 2230a_100160469477_200025704644 [0,2,0,0,0,0|2,0,0]=4 3714 B12R1.354 C[C@H](N[13CH3])c1cc(ccc1O)F 34a_100160469477_200025704644 [0,2,0,0,0,0|2,0,0]=4 3715 B12R1.354 C[C@H](O[13CH3])c1cc(ccc1I)F 34a_100134768474_200025704644 [0,2,0,0,0,0|2,0,0]=4 3716 B12R1.354 C[C@H](O[13CH3])c1cc(ccc1I)F 7a_100134768474_200025704644 [0,2,0,0,0,0|2,0,0]=4 3717 B12R1.354 Cc1ccc(c(c1)C(C)O[13CH3])C 34a_200000246511_200025704644 [0,2,0,0,0,0|2,0,0]=4 3718 B12R1.354 Cc1ccc(c(c1)C(C)O[13CH3])C 7a_200000246511_200025704644 [0,2,0,0,0,0|2,0,0]=4 3719 B12R1.354 Cc1ccc(c(c1)[C@H](C)N[13CH3])C 2230a_100000695983_200025704644 [0,2,0,0,0,0|2,0,0]=4 3720 B12R1.354 Cc1ccc(c(c1)[C@H](C)N[13CH3])C 34a_100000695983_200025704644 [0,2,0,0,0,0|2,0,0]=4 3721 B12R1.354 Cc1ccc(cc1C(C)N[13CH3])F 2230a_100011191733_200025704644 [0,2,0,0,0,0|2,0,0]=4 3722 B12R1.354 Cc1ccc(cc1C(C)N[13CH3])F 34a_100011191733_200025704644 [0,2,0,0,0,0|2,0,0]=4 3723 B12R1.354 Cc1ccc(cc1C(C)O[13CH3])Cl 34a_100012002745_200025704644 [0,2,0,0,0,0|2,0,0]=4 3724 B12R1.354 Cc1ccc(cc1C(C)O[13CH3])Cl 7a_100012002745_200025704644 [0,2,0,0,0,0|2,0,0]=4 3725 B12R1.358 CC(N[13CH3])c1cc(cc(c1)Cl)Cl 2230a_100020620772_200025704644 [0,2,0,0,0,0|2,0,0]=4 3726 B12R1.358 CC(N[13CH3])c1cc(cc(c1)Cl)Cl 34a_100020620772_200025704644 [0,2,0,0,0,0|2,0,0]=4 3727 B12R1.358 CNC(C)c1cc(cc(c1)Br)Br 269862a_106832991636_100012339319 [0,2,0,0,0,0|2,0,0]=4 3728 B12R1.358 CNC(C)c1cc(cc(c1)Br)C 269862a_106832991636_100000694479 [0,2,0,0,0,0|2,0,0]=4 3729 B12R1.358 CNC(C)c1cc(cc(c1)Br)Cl 269862a_106832991636_100012351652 [0,2,0,0,0,0|2,0,0]=4 3730 B12R1.358 CNC(C)c1cc(cc(c1)Br)F 269862a_106832991636_100012361402 [0,2,0,0,0,0|2,0,0]=4 3731 B12R1.358 CNC(C)c1cc(cc(c1)C)C 2230a_100000753145_200000210301 [0,2,0,0,0,0|2,0,0]=4 3732 B12R1.358 CNC(C)c1cc(cc(c1)C)C 269862a_106832991636_100000753124 [0,2,0,0,0,0|2,0,0]=4 3733 B12R1.358 CNC(C)c1cc(cc(c1)C)C 34a_100000753145_200000210301 [0,2,0,0,0,0|2,0,0]=4 3734 B12R1.358 CNC(C)c1cc(cc(c1)Cl)Cl 2230a_100020620772_200000210301 [0,2,0,0,0,0|2,0,0]=4 3735 B12R1.358 CNC(C)c1cc(cc(c1)Cl)Cl 269862a_106832991636_100000686458 [0,2,0,0,0,0|2,0,0]=4 3736 B12R1.358 CNC(C)c1cc(cc(c1)Cl)Cl 34a_100020620772_200000210301 [0,2,0,0,0,0|2,0,0]=4 3737 B12R1.358 CNC(C)c1cc(cc(c1)Cl)F 269862a_106832991636_100000062022 [0,2,0,0,0,0|2,0,0]=4 3738 B12R1.358 CNC(C)c1cc(cc(c1)F)C 269862a_106832991636_100011830400 [0,2,0,0,0,0|2,0,0]=4 3739 B12R1.358 CNC(C)c1cc(cc(c1)F)F 269862a_106832991636_100000748097 [0,2,0,0,0,0|2,0,0]=4 3740 B12R1.358 CNC(C)c1cc(cc(c1)I)Br 269862a_106832991636_100010005435 [0,2,0,0,0,0|2,0,0]=4 3741 B12R1.358 CNC(C)c1cc(cc(c1)O)C 269862a_106832991636_100009855872 [0,2,0,0,0,0|2,0,0]=4 3742 B12R1.358 CN[C@@H](C)c1cc(cc(c1)Cl)F 2230a_100020639286_200000210301 [0,2,0,0,0,0|2,0,0]=4 3743 B12R1.358 CN[C@@H](C)c1cc(cc(c1)Cl)F 34a_100020639286_200000210301 [0,2,0,0,0,0|2,0,0]=4 3744 B12R1.358 CN[C@H](C)c1cc(cc(c1)F)F 2230a_100016987943_200000210301 [0,2,0,0,0,0|2,0,0]=4 3745 B12R1.358 CN[C@H](C)c1cc(cc(c1)F)F 34a_100016987943_200000210301 [0,2,0,0,0,0|2,0,0]=4 3746 B12R1.358 CO[C@@H](C)c1cc(cc(c1)F)F 34a_100012136759_200000210301 [0,2,0,0,0,0|2,0,0]=4 3747 B12R1.358 CO[C@@H](C)c1cc(cc(c1)F)F 7a_100012136759_200000210301 [0,2,0,0,0,0|2,0,0]=4 3748 B12R1.358 C[C@@H](N[13CH3])c1cc(cc(c1)F)F 2230a_100016987943_200025704644 [0,2,0,0,0,0|2,0,0]=4 3749 B12R1.358 C[C@@H](N[13CH3])c1cc(cc(c1)F)F 34a_100016987943_200025704644 [0,2,0,0,0,0|2,0,0]=4 3750 B12R1.358 C[C@H](N[13CH3])c1cc(cc(c1)Cl)F 2230a_100020639286_200025704644 [0,2,0,0,0,0|2,0,0]=4 3751 B12R1.358 C[C@H](N[13CH3])c1cc(cc(c1)Cl)F 34a_100020639286_200025704644 [0,2,0,0,0,0|2,0,0]=4 3752 B12R1.358 C[C@H](O[13CH3])c1cc(cc(c1)F)F 34a_100012136759_200025704644 [0,2,0,0,0,0|2,0,0]=4 3753 B12R1.358 C[C@H](O[13CH3])c1cc(cc(c1)F)F 7a_100012136759_200025704644 [0,2,0,0,0,0|2,0,0]=4 3754 B12R1.358 Cc1cc(cc(c1)C(C)N[13CH3])C 2230a_100000753145_200025704644 [0,2,0,0,0,0|2,0,0]=4 3755 B12R1.358 Cc1cc(cc(c1)C(C)N[13CH3])C 34a_100000753145_200025704644 [0,2,0,0,0,0|2,0,0]=4 3756 B12R1.435 C=Cc1cccc(c1)C(=O)C=O 271570a_100011290941_100000726164 [0,2,0,0,0,0|1,0,1]=4 3757 B12R1.435 C=Cc1cccc(c1)C(C)NC 271570a_100011290941_100025717457 [0,2,0,0,0,0|2,0,0]=4 3758 B12R1.435 CC(N[13CH3])c1cccc(c1)C#N 2230a_100016987922_200025704644 [0,2,0,0,0,0|2,0,0]=4 3759 B12R1.435 CC(N[13CH3])c1cccc(c1)C#N 34a_100016987922_200025704644 [0,2,0,0,0,0|2,0,0]=4 3760 B12R1.435 CCc1cccc(c1)C(C)NC 269862a_106832991636_100011220055 [0,2,0,0,0,0|2,0,0]=4 3761 B12R1.435 CNC(C)c1cccc(c1)C#N 2230a_100016987922_200000210301 [0,2,0,0,0,0|2,0,0]=4 3762 B12R1.435 CNC(C)c1cccc(c1)C#N 269862a_106832991636_100000738961 [0,2,0,0,0,0|2,0,0]=4 3763 B12R1.435 CNC(C)c1cccc(c1)C#N 34a_100016987922_200000210301 [0,2,0,0,0,0|2,0,0]=4 3764 B12R1.435 CNC(C)c1cccc(c1)OC 2230a_100000737859_200000210301 [0,2,0,0,0,0|2,0,0]=4 3765 B12R1.435 CNC(C)c1cccc(c1)OC 269862a_106832991636_100000171656 [0,2,0,0,0,0|2,0,0]=4 3766 B12R1.435 CNC(C)c1cccc(c1)SC 62a_100025717457_200000210301 [0,2,0,0,0,0|2,0,0]=4 3767 B12R1.435 CNC(C)c1cccc(c1)SC 62a_200000210301_100025717457 [0,2,0,0,0,0|2,0,0]=4 3768 B12R1.435 CNC(C)c1cccc(c1)S[13CH3] 62a_100025717457_200025704644 [0,2,0,0,0,0|2,0,0]=4 3769 B12R1.435 CNC(C)c1cccc(c1)S[13CH3] 62a_200025704644_100025717457 [0,2,0,0,0,0|2,0,0]=4 3770 B12R1.435 COc1cccc(c1)C(C)N[13CH3] 2230a_100000737859_200025704644 [0,2,0,0,0,0|2,0,0]=4 3771 B12R1.435 COc1cccc(c1)C(C)OC 34a_100000246466_200000210301 [0,2,0,0,0,0|2,0,0]=4 3772 B12R1.435 COc1cccc(c1)C(C)OC 7a_100000246466_200000210301 [0,2,0,0,0,0|2,0,0]=4 3773 B12R1.435 COc1cccc(c1)C(C)O[13CH3] 34a_100000246466_200025704644 [0,2,0,0,0,0|2,0,0]=4 3774 B12R1.435 COc1cccc(c1)C(C)O[13CH3] 7a_100000246466_200025704644 [0,2,0,0,0,0|2,0,0]=4 3775 B12R1.435 CSc1cccc(c1)C(=O)C=O 62a_100000726164_200000210301 [0,2,0,0,0,0|1,0,1]=4 3776 B12R1.435 CSc1cccc(c1)C(=O)C=O 62a_200000210301_100000726164 [0,2,0,0,0,0|1,0,1]=4 3777 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C=O 62a_100000726164_200025704644 [0,2,0,0,0,0|1,0,1]=4 3778 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C=O 62a_200025704644_100000726164 [0,2,0,0,0,0|1,0,1]=4 3779 B12R1.124 CC(=C(C)c1ccccc1Br)C 271570a_200000049429_100000695589 [0,2,0,0,0,0|1,0,1]=4 3780 B12R1.124 CC(=C(C)c1ccccc1C)C 271570a_200000049429_100000210755 [0,2,0,0,0,0|1,0,1]=4 3781 B12R1.124 CC(=C(C)c1ccccc1Cl)C 271570a_200000049429_100000764095 [0,2,0,0,0,0|1,0,1]=4 3782 B12R1.124 CC(=C(C)c1ccccc1F)C 271570a_200000049429_100011215700 [0,2,0,0,0,0|1,0,1]=4 3783 B12R1.124 CC(=C(C)c1ccccc1N)C 271570a_200000049429_100000210017 [0,2,0,0,0,0|1,0,1]=4 3784 B12R1.124 CC(=C(C)c1ccccc1O)C 271570a_200000049429_100000739446 [0,2,0,0,0,0|1,0,1]=4 3785 B12R1.124 CC(=O)C(C)c1ccccc1Br 1458a_100012359601_200000210301 [0,2,0,0,0,0|0,0,0]=2 3786 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100000070787_100000181259 [0,2,0,0,0,0|0,0,0]=2 3787 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100011667492_200000210301 [0,2,0,0,0,0|0,0,0]=2 3788 B12R1.124 CC(=O)C(C)c1ccccc1F 1458a_100000070787_200000741388 [0,2,0,0,0,0|0,0,0]=2 3789 B12R1.124 CC(=O)C(O)c1ccccc1Br 1458a_200011356456_200000210301 [0,2,0,0,0,0|1,0,0]=3 3790 B12R1.124 CC(=O)C(O)c1ccccc1Cl 1458a_100011217820_200000210301 [0,2,0,0,0,0|1,0,0]=3 3791 B12R1.124 CC(=O)C(O)c1ccccc1F 1458a_100011219519_200000210301 [0,2,0,0,0,0|1,0,0]=3 3792 B12R1.124 CC(=O)N(C)c1ccccc1Br 11a_100020606079_100015343762 [0,2,0,0,0,0|1,0,0]=3 3793 B12R1.124 CC(=O)N(C)c1ccccc1Br 1626a_100020606079_100015343762 [0,2,0,0,0,0|1,0,0]=3 3794 B12R1.124 CC(=O)N(C)c1ccccc1C 11a_100000219699_100015343762 [0,2,0,0,0,0|1,0,0]=3 3795 B12R1.124 CC(=O)N(C)c1ccccc1C 1626a_100000219699_100015343762 [0,2,0,0,0,0|1,0,0]=3 3796 B12R1.124 CC(=O)N(C)c1ccccc1C 22a_100000219699_100000070787 [0,2,0,0,0,0|1,0,0]=3 3797 B12R1.124 CC(=O)N(C)c1ccccc1Cl 11a_100000219374_100015343762 [0,2,0,0,0,0|1,0,0]=3 3798 B12R1.124 CC(=O)N(C)c1ccccc1Cl 1626a_100000219374_100015343762 [0,2,0,0,0,0|1,0,0]=3 3799 B12R1.124 CC(=O)N(C)c1ccccc1F 11a_100000220357_100015343762 [0,2,0,0,0,0|1,0,0]=3 3800 B12R1.124 CC(=O)N(C)c1ccccc1F 1626a_100000220357_100015343762 [0,2,0,0,0,0|1,0,0]=3 3801 B12R1.124 CC(=O)N(C)c1ccccc1F 22a_100000220357_100000070787 [0,2,0,0,0,0|1,0,0]=3 3802 B12R1.124 CC(=O)N(C)c1ccccc1O 22a_100000033821_100000070787 [0,2,0,0,0,0|1,0,0]=3 3803 B12R1.124 CC(=O)N(C)c1ccccc1O 527a_100000033821_100103153847 [0,2,0,0,0,0|1,0,0]=3 3804 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Br 1458a_100012359601_200025704644 [0,2,0,0,0,0|0,0,0]=2 3805 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Cl 1458a_100011667492_200025704644 [0,2,0,0,0,0|0,0,0]=2 3806 B12R1.124 CC(c1ccccc1Br)N(C)C 2230a_100000692418_200000210301 [0,2,0,0,0,0|2,0,0]=4 3807 B12R1.124 CC(c1ccccc1Br)N(C)C 269982a_100000692418_200000210301 [0,2,0,0,0,0|2,0,0]=4 3808 B12R1.124 CC(c1ccccc1Br)N(C)[13CH3] 2230a_100000692418_200025704644 [0,2,0,0,0,0|2,0,0]=4 3809 B12R1.124 CC(c1ccccc1Br)N(C)[13CH3] 269982a_100000692418_200025704644 [0,2,0,0,0,0|2,0,0]=4 3810 B12R1.124 CC(c1ccccc1Cl)N(C)C 2230a_100102631434_100000181259 [0,2,0,0,0,0|2,0,0]=4 3811 B12R1.124 CC(c1ccccc1Cl)N(C)C 269982a_100102631434_100000181259 [0,2,0,0,0,0|2,0,0]=4 3812 B12R1.124 CC(c1ccccc1F)N(C)C 2230a_100000231110_200000210301 [0,2,0,0,0,0|2,0,0]=4 3813 B12R1.124 CC(c1ccccc1F)N(C)C 2230a_100102631434_200000741388 [0,2,0,0,0,0|2,0,0]=4 3814 B12R1.124 CC(c1ccccc1F)N(C)C 269982a_100000231110_200000210301 [0,2,0,0,0,0|2,0,0]=4 3815 B12R1.124 CC(c1ccccc1F)N(C)C 269982a_100102631434_200000741388 [0,2,0,0,0,0|2,0,0]=4 3816 B12R1.124 CC(c1ccccc1F)N(C)C 34a_100000231110_200000210301 [0,2,0,0,0,0|2,0,0]=4 3817 B12R1.124 CC(c1ccccc1F)N(C)[13CH3] 2230a_100000231110_200025704644 [0,2,0,0,0,0|2,0,0]=4 3818 B12R1.124 CC(c1ccccc1F)N(C)[13CH3] 269982a_100000231110_200025704644 [0,2,0,0,0,0|2,0,0]=4 3819 B12R1.124 CC(c1ccccc1F)N(C)[13CH3] 34a_100000231110_200025704644 [0,2,0,0,0,0|2,0,0]=4 3820 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Br 1458a_200011356456_200025704644 [0,2,0,0,0,0|1,0,0]=3 3821 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Cl 1458a_100011217820_200025704644 [0,2,0,0,0,0|1,0,0]=3 3822 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1F 1458a_100011219519_200025704644 [0,2,0,0,0,0|1,0,0]=3 3823 B12R1.77 C=Cc1ccccc1C(C)C#N 271570a_100011290941_200010232107 [0,2,0,0,0,0|1,0,1]=4 3824 B12R1.77 C=Cc1ccccc1C(C)NC 271570a_100011290941_100000692418 [0,2,0,0,0,0|2,0,0]=4 3825 B12R1.77 CC(C#N)c1ccccc1S[13CH3] 62a_200010232107_200025704644 [0,2,0,0,0,0|1,0,1]=4 3826 B12R1.77 CC(C#N)c1ccccc1S[13CH3] 62a_200025704644_200010232107 [0,2,0,0,0,0|1,0,1]=4 3827 B12R1.77 CC(N[13CH3])c1ccccc1C#N 2230a_100160469468_200025704644 [0,2,0,0,0,0|2,0,0]=4 3828 B12R1.77 CCC(C)c1ccccc1NC 2230a_200000211393_200000210301 [0,2,0,0,0,0|1,0,1]=4 3829 B12R1.77 CCC(C)c1ccccc1NC 7a_200000211393_200000210301 [0,2,0,0,0,0|1,0,1]=4 3830 B12R1.77 CCC(C)c1ccccc1N[13CH3] 2230a_200000211393_200025704644 [0,2,0,0,0,0|1,0,1]=4 3831 B12R1.77 CCC(C)c1ccccc1N[13CH3] 7a_200000211393_200025704644 [0,2,0,0,0,0|1,0,1]=4 3832 B12R1.77 CCC(C)c1ccccc1OC 7a_100000211618_200000210301 [0,2,0,0,0,0|1,0,1]=4 3833 B12R1.77 CCC(C)c1ccccc1O[13CH3] 7a_100000211618_200025704644 [0,2,0,0,0,0|1,0,1]=4 3834 B12R1.77 CNC(C)c1ccccc1C#N 2230a_100160469468_200000210301 [0,2,0,0,0,0|2,0,0]=4 3835 B12R1.77 CNC(C)c1ccccc1OC 2230a_100000185323_200000210301 [0,2,0,0,0,0|2,0,0]=4 3836 B12R1.77 CNC(C)c1ccccc1OC 269862a_106832991636_100000173324 [0,2,0,0,0,0|2,0,0]=4 3837 B12R1.77 CNC(C)c1ccccc1SC 62a_100000692418_200000210301 [0,2,0,0,0,0|2,0,0]=4 3838 B12R1.77 CNC(C)c1ccccc1SC 62a_200000210301_100000692418 [0,2,0,0,0,0|2,0,0]=4 3839 B12R1.77 CNC(C)c1ccccc1S[13CH3] 62a_100000692418_200025704644 [0,2,0,0,0,0|2,0,0]=4 3840 B12R1.77 CNC(C)c1ccccc1S[13CH3] 62a_200025704644_100000692418 [0,2,0,0,0,0|2,0,0]=4 3841 B12R1.77 COc1ccccc1C(C)N[13CH3] 2230a_100000185323_200025704644 [0,2,0,0,0,0|2,0,0]=4 3842 B12R1.77 COc1ccccc1C(C)OC 7a_100000742714_200000210301 [0,2,0,0,0,0|2,0,0]=4 3843 B12R1.77 COc1ccccc1C(C)O[13CH3] 7a_100000742714_200025704644 [0,2,0,0,0,0|2,0,0]=4 3844 B12R1.77 CSc1ccccc1C(C)C#N 62a_200000210301_200010232107 [0,2,0,0,0,0|1,0,1]=4 3845 B12R1.77 CSc1ccccc1C(C)C#N 62a_200010232107_200000210301 [0,2,0,0,0,0|1,0,1]=4 3846 B12R1.3441 CC(N[13CH3])c1c(cccc1F)F 2230a_100025772709_200025704644 [0,2,0,0,0,0|2,0,0]=4 3847 B12R1.3441 CC(N[13CH3])c1c(cccc1F)F 34a_100025772709_200025704644 [0,2,0,0,0,0|2,0,0]=4 3848 B12R1.3441 CC(O[13CH3])c1c(cccc1Br)F 34a_100013085324_200025704644 [0,2,0,0,0,0|2,0,0]=4 3849 B12R1.3441 CC(O[13CH3])c1c(cccc1Br)F 7a_100013085324_200025704644 [0,2,0,0,0,0|2,0,0]=4 3850 B12R1.3441 CC(O[13CH3])c1c(cccc1Cl)Cl 34a_100011215154_200025704644 [0,2,0,0,0,0|2,0,0]=4 3851 B12R1.3441 CC(O[13CH3])c1c(cccc1Cl)Cl 7a_100011215154_200025704644 [0,2,0,0,0,0|2,0,0]=4 3852 B12R1.3441 CC(O[13CH3])c1c(cccc1F)F 34a_100000742607_200025704644 [0,2,0,0,0,0|2,0,0]=4 3853 B12R1.3441 CC(O[13CH3])c1c(cccc1F)F 7a_100000742607_200025704644 [0,2,0,0,0,0|2,0,0]=4 3854 B12R1.3441 CNC(C)c1c(cccc1F)F 2230a_100025772709_200000210301 [0,2,0,0,0,0|2,0,0]=4 3855 B12R1.3441 CNC(C)c1c(cccc1F)F 34a_100025772709_200000210301 [0,2,0,0,0,0|2,0,0]=4 3856 B12R1.3441 CN[C@@H](C)c1c(cccc1C)C 2230a_100016987977_200000210301 [0,2,0,0,0,0|2,0,0]=4 3857 B12R1.3441 CN[C@@H](C)c1c(cccc1C)C 34a_100016987977_200000210301 [0,2,0,0,0,0|2,0,0]=4 3858 B12R1.3441 CN[C@H](C)c1c(cccc1Cl)Cl 2230a_100016989663_200000210301 [0,2,0,0,0,0|2,0,0]=4 3859 B12R1.3441 CN[C@H](C)c1c(cccc1Cl)Cl 34a_100016989663_200000210301 [0,2,0,0,0,0|2,0,0]=4 3860 B12R1.3441 CN[C@H](C)c1c(cccc1Cl)F 2230a_100011997870_200000210301 [0,2,0,0,0,0|2,0,0]=4 3861 B12R1.3441 CN[C@H](C)c1c(cccc1Cl)F 34a_100011997870_200000210301 [0,2,0,0,0,0|2,0,0]=4 3862 B12R1.3441 COC(C)c1c(cccc1Br)F 34a_100013085324_200000210301 [0,2,0,0,0,0|2,0,0]=4 3863 B12R1.3441 COC(C)c1c(cccc1Br)F 7a_100013085324_200000210301 [0,2,0,0,0,0|2,0,0]=4 3864 B12R1.3441 COC(C)c1c(cccc1C)C 34a_200000695261_200000210301 [0,2,0,0,0,0|2,0,0]=4 3865 B12R1.3441 COC(C)c1c(cccc1C)C 7a_200000695261_200000210301 [0,2,0,0,0,0|2,0,0]=4 3866 B12R1.3441 COC(C)c1c(cccc1Cl)Cl 34a_100011215154_200000210301 [0,2,0,0,0,0|2,0,0]=4 3867 B12R1.3441 COC(C)c1c(cccc1Cl)Cl 7a_100011215154_200000210301 [0,2,0,0,0,0|2,0,0]=4 3868 B12R1.3441 COC(C)c1c(cccc1F)F 34a_100000742607_200000210301 [0,2,0,0,0,0|2,0,0]=4 3869 B12R1.3441 COC(C)c1c(cccc1F)F 7a_100000742607_200000210301 [0,2,0,0,0,0|2,0,0]=4 3870 B12R1.3441 CO[C@H](C)c1c(cccc1Cl)F 34a_200012136785_200000210301 [0,2,0,0,0,0|2,0,0]=4 3871 B12R1.3441 CO[C@H](C)c1c(cccc1Cl)F 7a_200012136785_200000210301 [0,2,0,0,0,0|2,0,0]=4 3872 B12R1.3441 C[C@@H](N[13CH3])c1c(cccc1Cl)Cl 2230a_100016989663_200025704644 [0,2,0,0,0,0|2,0,0]=4 3873 B12R1.3441 C[C@@H](N[13CH3])c1c(cccc1Cl)Cl 34a_100016989663_200025704644 [0,2,0,0,0,0|2,0,0]=4 3874 B12R1.3441 C[C@@H](N[13CH3])c1c(cccc1Cl)F 2230a_100011997870_200025704644 [0,2,0,0,0,0|2,0,0]=4 3875 B12R1.3441 C[C@@H](N[13CH3])c1c(cccc1Cl)F 34a_100011997870_200025704644 [0,2,0,0,0,0|2,0,0]=4 3876 B12R1.3441 C[C@@H](O[13CH3])c1c(cccc1Cl)F 34a_200012136785_200025704644 [0,2,0,0,0,0|2,0,0]=4 3877 B12R1.3441 C[C@@H](O[13CH3])c1c(cccc1Cl)F 7a_200012136785_200025704644 [0,2,0,0,0,0|2,0,0]=4 3878 B12R1.3441 Cc1cccc(c1C(C)O[13CH3])C 34a_200000695261_200025704644 [0,2,0,0,0,0|2,0,0]=4 3879 B12R1.3441 Cc1cccc(c1C(C)O[13CH3])C 7a_200000695261_200025704644 [0,2,0,0,0,0|2,0,0]=4 3880 B12R1.3441 Cc1cccc(c1[C@H](C)N[13CH3])C 2230a_100016987977_200025704644 [0,2,0,0,0,0|2,0,0]=4 3881 B12R1.3441 Cc1cccc(c1[C@H](C)N[13CH3])C 34a_100016987977_200025704644 [0,2,0,0,0,0|2,0,0]=4 3882 B10R1.2 C=Cc1cccc(=O)n1C 271570a_100011290941_100000726605 [0,0,1,1,0,0|1,0,0]=3 3883 B10R1.2 C=Cc1cccc(c1C)Br 271570a_100011290941_100012353703 [0,0,1,1,0,0|1,0,1]=4 3884 B10R1.2 C=Cc1cccc(c1C)C 271570a_100011290941_100011214922 [0,0,1,1,0,0|1,0,1]=4 3885 B10R1.2 C=Cc1cccc(c1C)Cl 271570a_100011290941_100000726075 [0,0,1,1,0,0|1,0,1]=4 3886 B10R1.2 C=Cc1cccc(c1C)F 271570a_100011290941_100011216893 [0,0,1,1,0,0|1,0,1]=4 3887 B10R1.2 C=Cc1cccc(c1C)N 271570a_100011290941_100000761887 [0,0,1,1,0,0|1,0,1]=4 3888 B10R1.2 C=Cc1cccc(c1C)O 271570a_100011290941_100012002258 [0,0,1,1,0,0|0,0,2]=4 3889 B10R1.20 C=Cc1ccccc1C=O 271570a_100011290941_100000211189 [0,0,1,1,0,0|0,0,2]=4 3890 B10R1.20 C=Cc1cccnc1C=O 271570a_100011290941_100011934733 [0,0,1,1,0,0|1,0,1]=4 3891 B10R1.172 C=Cc1cccc(c1)C=O 271570a_100011290941_100000014684 [0,0,1,1,0,0|0,0,2]=4 3892 B10R1.172 C=Cc1cccc(n1)C=O 271570a_100011290941_100000688028 [0,0,1,1,0,0|1,0,1]=4 3893 B10R2.6 c1cc(ccn1)C2CC2 271570a_100011220607_100000035832 [1,0,0,1,0,0|1,0,1]=4 3894 B10R2.6 c1ccc(cc1)C2CC2 271570a_100011220607_100000210277 [1,0,0,1,0,0|0,0,1]=3 3895 B10R2.6 c1ccc(nc1)C2CC2 271570a_100011220607_100011216584 [1,0,0,1,0,0|1,0,1]=4 3896 B10R2.6 c1cncc(c1)C2CC2 271570a_100011220607_100000752921 [1,0,0,1,0,0|1,0,1]=4 3897 B12R2.11 CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_200000210301 [0,0,0,1,0,1|2,0,0]=4 3898 B12R2.11 CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_200000210301 [0,0,0,1,0,1|2,0,0]=4 3899 B12R2.11 CN1C[C@@H]1Cc2ccccc2 34a_100016998360_200000210301 [0,0,0,1,0,1|2,0,0]=4 3900 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 2230a_100016998360_200025704644 [0,0,0,1,0,1|2,0,0]=4 3901 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 269982a_100016998360_200025704644 [0,0,0,1,0,1|2,0,0]=4 3902 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 34a_100016998360_200025704644 [0,0,0,1,0,1|2,0,0]=4 3903 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,0,0,1,0,1|0,0,2]=4 3904 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [0,0,0,1,0,1|0,0,2]=4 3905 B12R2.18 Cn1nc2ccccc2c1O 271570a_203496583355_100010163699 [0,0,0,1,0,1|1,0,1]=4 3906 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000210301 [0,0,0,1,0,1|2,0,0]=4 3907 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000210301 [0,0,0,1,0,1|2,0,0]=4 3908 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200025704644 [0,0,0,1,0,1|2,0,0]=4 3909 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200025704644 [0,0,0,1,0,1|2,0,0]=4 3910 B12R2.32 CNC1Cc2ccccc2C1 2230a_100000753258_200000210301 [0,0,0,1,0,1|2,0,0]=4 3911 B12R2.32 CNC1Cc2ccccc2C1 34a_100000753258_200000210301 [0,0,0,1,0,1|2,0,0]=4 3912 B12R2.32 CNC1Cc2ccccc2C1 34a_100102657272_100000753484 [0,0,0,1,0,1|2,0,0]=4 3913 B12R2.32 CNC1Cc2ccccc2C1 7a_106832991635_100000753484 [0,0,0,1,0,1|2,0,0]=4 3914 B12R2.32 COC1Cc2ccccc2C1 34a_100011215286_200000210301 [0,0,0,1,0,1|2,0,0]=4 3915 B12R2.32 COC1Cc2ccccc2C1 34a_100138415774_100000753484 [0,0,0,1,0,1|2,0,0]=4 3916 B12R2.32 CSC1Cc2ccccc2C1 62a_200000210301_100000753484 [0,0,0,1,0,1|2,0,0]=4 3917 B12R2.32 [13CH3]NC1Cc2ccccc2C1 2230a_100000753258_200025704644 [0,0,0,1,0,1|2,0,0]=4 3918 B12R2.32 [13CH3]NC1Cc2ccccc2C1 34a_100000753258_200025704644 [0,0,0,1,0,1|2,0,0]=4 3919 B12R2.32 [13CH3]OC1Cc2ccccc2C1 34a_100011215286_200025704644 [0,0,0,1,0,1|2,0,0]=4 3920 B12R2.32 [13CH3]SC1Cc2ccccc2C1 62a_200025704644_100000753484 [0,0,0,1,0,1|2,0,0]=4 3921 B12R2.2058 c1ccc(cc1)NC2CCC2 34a_100000106764_100000749161 [0,0,0,1,0,1|1,0,1]=4 3922 B12R2.2058 c1ccc(cc1)NC2COC2 34a_100000106764_100009818527 [0,0,0,1,0,1|0,0,2]=4 3923 B12R2.2058 c1ccc(cc1)OC2CCC2 34a_100000210340_100000749161 [0,0,0,1,0,1|1,0,1]=4 3924 B12R2.2058 c1ccc(cc1)OC2COC2 34a_100000210340_100009818527 [0,0,0,1,0,1|0,0,2]=4 3925 B12R2.2058 c1ccc(cc1)OC2COC2 7a_100000210340_100009818527 [0,0,0,1,0,1|0,0,2]=4 3926 B12R2.2058 c1ccc(cc1)SC2CCC2 62a_100000719477_100000749161 [0,0,0,1,0,1|1,0,1]=4 3927 B12R2.2058 c1ccc(cc1)SC2COC2 62a_100000719477_100009818527 [0,0,0,1,0,1|0,0,2]=4 3928 B12R2.48 CNC1(CC1)c2ccccc2 2230a_100000749958_200000210301 [0,1,0,1,0,0|1,0,1]=4 3929 B12R2.48 [13CH3]NC1(CC1)c2ccccc2 2230a_100000749958_200025704644 [0,1,0,1,0,0|1,0,1]=4 3930 B12R2.1 CNC1CCc2c1cccc2 2230a_106832991635_200000721974 [0,1,0,1,0,0|1,0,1]=4 3931 B12R2.1 CNC1CCc2c1cccc2 269862a_106832991636_100000212051 [0,1,0,1,0,0|1,0,1]=4 3932 B12R2.1 CNC1COc2c1cccc2 2230a_100000747519_200000210301 [0,1,0,1,0,0|0,0,2]=4 3933 B12R2.1 CN[C@H]1CCc2c1cccc2 2230a_100016989578_200000210301 [0,1,0,1,0,0|1,0,1]=4 3934 B12R2.1 CN[C@H]1CCc2c1cccc2 34a_100016989578_200000210301 [0,1,0,1,0,0|1,0,1]=4 3935 B12R2.1 COC1CCc2c1cccc2 34a_100000212247_200000210301 [0,1,0,1,0,0|1,0,1]=4 3936 B12R2.1 COC1CCc2c1cccc2 7a_100000212247_200000210301 [0,1,0,1,0,0|1,0,1]=4 3937 B12R2.1 COc1csc2c1cccc2 34a_100000077758_200000210301 [0,1,0,1,0,0|0,1,1]=4 3938 B12R2.1 COc1csc2c1cccc2 7a_100000077758_200000210301 [0,1,0,1,0,0|0,1,1]=4 3939 B12R2.1 CSC1CCc2c1cccc2 62a_200000210301_200000721974 [0,1,0,1,0,0|1,0,1]=4 3940 B12R2.1 CSc1coc2c1cccc2 62a_200000210301_100009812202 [0,1,0,1,0,0|0,0,2]=4 3941 B12R2.1 CSc1csc2c1cccc2 62a_200000210301_100009813928 [0,1,0,1,0,0|0,1,1]=4 3942 B12R2.1 [13CH3]NC1COc2c1cccc2 2230a_100000747519_200025704644 [0,1,0,1,0,0|0,0,2]=4 3943 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 2230a_100016989578_200025704644 [0,1,0,1,0,0|1,0,1]=4 3944 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 34a_100016989578_200025704644 [0,1,0,1,0,0|1,0,1]=4 3945 B12R2.1 [13CH3]OC1CCc2c1cccc2 34a_100000212247_200025704644 [0,1,0,1,0,0|1,0,1]=4 3946 B12R2.1 [13CH3]OC1CCc2c1cccc2 7a_100000212247_200025704644 [0,1,0,1,0,0|1,0,1]=4 3947 B12R2.1 [13CH3]Oc1csc2c1cccc2 34a_100000077758_200025704644 [0,1,0,1,0,0|0,1,1]=4 3948 B12R2.1 [13CH3]Oc1csc2c1cccc2 7a_100000077758_200025704644 [0,1,0,1,0,0|0,1,1]=4 3949 B12R2.1 [13CH3]SC1CCc2c1cccc2 62a_200025704644_200000721974 [0,1,0,1,0,0|1,0,1]=4 3950 B12R2.1 [13CH3]Sc1coc2c1cccc2 62a_200025704644_100009812202 [0,1,0,1,0,0|0,0,2]=4 3951 B12R2.1 [13CH3]Sc1csc2c1cccc2 62a_200025704644_100009813928 [0,1,0,1,0,0|0,1,1]=4 3952 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [0,1,0,1,0,0|1,0,1]=4 3953 B12R2.2 C1=C(CCO1)c2ccccc2 271570a_100000118173_100000210277 [0,1,0,1,0,0|0,0,2]=4 3954 B12R2.2 C1=C(COC1)c2ccccc2 271570a_100009872500_100000210277 [0,1,0,1,0,0|0,0,2]=4 3955 B12R2.931 CCSC1Cc2c1cccc2 62a_100000210202_100009813401 [0,1,0,1,0,0|1,0,1]=4 3956 B12R2.931 CCSC1Cc2c1cccc2 62a_100009813401_100000210202 [0,1,0,1,0,0|1,0,1]=4 3957 B12R2.931 COCC1Cc2c1cccc2 34a_100012476685_200000210301 [0,1,0,1,0,0|0,0,2]=4 3958 B12R2.931 COCC1Cc2c1cccc2 7a_100012476685_200000210301 [0,1,0,1,0,0|0,0,2]=4 3959 B12R2.931 FCSC1Cc2c1cccc2 62a_100009813401_100015361967 [0,1,0,1,0,0|1,0,1]=4 3960 B12R2.931 FCSC1Cc2c1cccc2 62a_100015361967_100009813401 [0,1,0,1,0,0|1,0,1]=4 3961 B12R2.931 [13CH3]OCC1Cc2c1cccc2 34a_100012476685_200025704644 [0,1,0,1,0,0|0,0,2]=4 3962 B12R2.931 [13CH3]OCC1Cc2c1cccc2 7a_100012476685_200025704644 [0,1,0,1,0,0|0,0,2]=4 3963 B12R2.2028 Cn1nc(c2c1cccc2)O 271570a_203496583355_100009817141 [0,1,0,1,0,0|1,0,1]=4 3964 B12R2.79 NC1CC1c2ccc(cc2)O 271570a_203496583355_100000755575 [0,1,0,1,0,0|1,0,1]=4 3965 B12R2.612 Cc1c[nH]c2c1ccc(c2)O 271570a_203496583355_100010209589 [0,1,0,1,0,0|1,0,1]=4 3966 B12R2.612 Cc1coc2c1ccc(c2)O 271570a_203496583355_100010775837 [0,1,0,1,0,0|0,0,2]=4 3967 B12R2.612 Cn1ccc2c1ccc(c2)O 271570a_203496583355_100011202928 [0,1,0,1,0,0|2,0,0]=4 3968 B12R2.612 Cn1cnc2c1ccc(c2)O 271570a_203496583355_100000718706 [0,1,0,1,0,0|2,0,0]=4 3969 B12R2.2302 Oc1ccc(cc1)C2CCC2 271570a_203496583355_200010114027 [0,1,0,1,0,0|1,0,1]=4 3970 B12R2.2302 Oc1ccc(cc1)C2COC2 271570a_203496583355_100010732642 [0,1,0,1,0,0|0,0,2]=4 3971 B12R2.132 Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100009816687 [0,1,0,1,0,0|1,0,1]=4 3972 B12R2.132 Cc1coc2c1cc(cc2)O 271570a_203496583355_100000728893 [0,1,0,1,0,0|0,0,2]=4 3973 B12R2.132 Cc1csc2c1cc(cc2)O 271570a_203496583355_100009814196 [0,1,0,1,0,0|0,1,1]=4 3974 B12R2.132 Cn1ccc2c1cc(cc2)O 271570a_203496583355_100011934912 [0,1,0,1,0,0|2,0,0]=4 3975 B12R2.132 Cn1cnc2c1cc(cc2)O 271570a_203496583355_100000702186 [0,1,0,1,0,0|2,0,0]=4 3976 B12R2.196 Cc1c[nH]c2c1cccc2O 271570a_203496583355_100010186758 [0,1,0,1,0,0|1,0,1]=4 3977 B12R2.196 Cn1ccc2c1cccc2O 271570a_203496583355_200011934935 [0,1,0,1,0,0|2,0,0]=4 3978 B12R2.196 Cn1cnc2c1cccc2O 271570a_203496583355_100000696766 [0,1,0,1,0,0|2,0,0]=4 3979 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,1,0,1,0,0|0,0,0]=2 3980 B12R2.3190 CN(C)C1Cc2c1cccc2 269982a_100102631434_100009813401 [0,1,0,1,0,0|2,0,0]=4 3981 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,1,0,1,0,0|0,0,0]=2 3982 B12R2.203 Cc1c[nH]c2c1c(ccc2)O 271570a_203496583355_100010194227 [0,1,0,1,0,0|1,0,1]=4 3983 B12R2.203 Cn1ccc2c1c(ccc2)O 271570a_203496583355_100009817156 [0,1,0,1,0,0|2,0,0]=4 3984 B12R2.203 Cn1cnc2c1c(ccc2)O 271570a_203496583355_100010749505 [0,1,0,1,0,0|2,0,0]=4 3985 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [1,0,0,0,1,0|1,0,1]=4 3986 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [1,0,0,0,1,0|1,0,1]=4 3987 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [1,0,0,0,1,0|1,0,1]=4 3988 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [1,0,0,0,1,0|1,0,1]=4 3989 B12R1.27 C#CC(C)NCc1ccccc1 2230a_100000707721_100015291786 [0,0,0,0,0,2|1,0,1]=4 3990 B12R1.27 C#CC(C)NCc1ccccc1 270004a_100000707721_100015611070 [0,0,0,0,0,2|1,0,1]=4 3991 B12R1.27 C#CC(C)NCc1ccccc1 34a_100000707721_100015291786 [0,0,0,0,0,2|1,0,1]=4 3992 B12R1.27 C#CC(C)NCc1ccccc1 34a_100015324214_200000035995 [0,0,0,0,0,2|1,0,1]=4 3993 B12R1.27 C#CC(C)OCc1ccccc1 34a_100000210790_200000035995 [0,0,0,0,0,2|1,0,1]=4 3994 B12R1.27 C#CC(C)SCc1ccccc1 62a_200000035995_100015291786 [0,0,0,0,0,2|1,0,1]=4 3995 B12R1.27 C#C[C@@H](C)OCc1ccccc1 34a_100009815206_100015291786 [0,0,0,0,0,2|1,0,1]=4 3996 B12R1.27 C#C[C@@H](C)OCc1ccccc1 7a_100009815206_100000211182 [0,0,0,0,0,2|1,0,1]=4 3997 B12R1.27 C=CC(=NNc1ccccc1)C 4a_100015195140_200015361842 [0,0,0,0,0,2|1,0,1]=4 3998 B12R1.27 C=CC(C)OCc1ccccc1 34a_100000695699_100015291786 [0,0,0,0,0,2|1,0,0]=3 3999 B12R1.27 C=CC(C)OCc1ccccn1 34a_100000695699_100000721315 [0,0,0,0,0,2|2,0,0]=4 4000 B12R1.27 C=CC(C)OCc1cccnc1 34a_100000695699_100000733263 [0,0,0,0,0,2|2,0,0]=4 4001 B12R1.27 C=CC(C)SCc1ccccc1 62a_100011215867_100015291786 [0,0,0,0,0,2|1,0,0]=3 4002 B12R1.27 C=CC(C)SCc1ccccn1 62a_100011215867_100000721315 [0,0,0,0,0,2|2,0,0]=4 4003 B12R1.27 C=CC(C)SCc1cccnc1 62a_100011215867_100000741622 [0,0,0,0,0,2|2,0,0]=4 4004 B12R1.27 C=CC(C)SCc1ccncc1 62a_100011215867_100015193705 [0,0,0,0,0,2|2,0,0]=4 4005 B12R1.27 C=CC(O)CNc1ccccc1 34a_100000106764_100000730141 [0,0,0,0,0,2|2,0,0]=4 4006 B12R1.27 C=CC(O)COc1ccccc1 34a_100000210340_100000730141 [0,0,0,0,0,2|2,0,0]=4 4007 B12R1.27 C=CC(O)COc1ccccc1 7a_100000210340_100000730141 [0,0,0,0,0,2|2,0,0]=4 4008 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000719477_100000730141 [0,0,0,0,0,2|2,0,0]=4 4009 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000730141_100000041952 [0,0,0,0,0,2|2,0,0]=4 4010 B12R1.27 CC(C#Cc1ccccc1)O[13CH3] 34a_200000065209_200025704644 [0,0,0,0,0,2|2,0,0]=4 4011 B12R1.27 CC(C#Cc1ccccc1)O[13CH3] 7a_200000065209_200025704644 [0,0,0,0,0,2|2,0,0]=4 4012 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100000737613_100015291786 [0,0,0,0,0,2|1,0,1]=4 4013 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100015324214_100000184139 [0,0,0,0,0,2|1,0,1]=4 4014 B12R1.27 CC(C#N)OCc1ccccc1 34a_100011218135_100015291786 [0,0,0,0,0,2|1,0,1]=4 4015 B12R1.27 CC(C#N)OCc1ccccc1 7a_100000210790_100000703298 [0,0,0,0,0,2|1,0,1]=4 4016 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000211182_100000703298 [0,0,0,0,0,2|1,0,1]=4 4017 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000703298_100015291786 [0,0,0,0,0,2|1,0,1]=4 4018 B12R1.27 CC(CCc1ccccc1)N[13CH3] 2230a_100000210798_200025704644 [0,0,0,0,0,2|2,0,0]=4 4019 B12R1.27 CC(CCc1ccccc1)N[13CH3] 34a_100000210798_200025704644 [0,0,0,0,0,2|2,0,0]=4 4020 B12R1.27 CC(CF)OCc1ccccc1 34a_100016041109_100015291786 [0,0,0,0,0,2|1,0,1]=4 4021 B12R1.27 CC(CF)OCc1ccccc1 7a_100016041109_100000211182 [0,0,0,0,0,2|1,0,1]=4 4022 B12R1.27 CC(CN)OCc1ccccc1 34a_100000210904_100015291786 [0,0,0,0,0,2|1,0,1]=4 4023 B12R1.27 CC(CO)NCc1ccccc1 2230a_100015324214_100012180447 [0,0,0,0,0,2|0,0,2]=4 4024 B12R1.27 CC(CO)NCc1ccccc1 34a_100015324214_100012180447 [0,0,0,0,0,2|0,0,2]=4 4025 B12R1.27 CC(CO)OCc1ccccc1 34a_100000210790_100012180447 [0,0,0,0,0,2|0,0,2]=4 4026 B12R1.27 CC(CO)OCc1ccccc1 7a_100000210790_100012180447 [0,0,0,0,0,2|0,0,2]=4 4027 B12R1.27 CC(CO)SCc1ccccc1 62a_100012180447_100015291786 [0,0,0,0,0,2|0,0,2]=4 4028 B12R1.27 CC(COc1ccccc1)N[13CH3] 2230a_100000746794_200025704644 [0,0,0,0,0,2|2,0,0]=4 4029 B12R1.27 CC(COc1ccccc1)N[13CH3] 34a_100000746794_200025704644 [0,0,0,0,0,2|2,0,0]=4 4030 B12R1.27 CC(COc1ccccc1)O[13CH3] 34a_100000210911_200025704644 [0,0,0,0,0,2|2,0,0]=4 4031 B12R1.27 CC(COc1ccccc1)O[13CH3] 7a_100000210911_200025704644 [0,0,0,0,0,2|2,0,0]=4 4032 B12R1.27 CCC(C)CNc1ccccc1 34a_100000106764_100000748023 [0,0,0,0,0,2|1,0,1]=4 4033 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [0,0,0,0,0,2|1,0,1]=4 4034 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [0,0,0,0,0,2|1,0,1]=4 4035 B12R1.27 CCC(C)CSc1ccccc1 62a_100000719477_100000748023 [0,0,0,0,0,2|1,0,1]=4 4036 B12R1.27 CCC(C)CSc1ccccc1 62a_100000748023_100000041952 [0,0,0,0,0,2|1,0,1]=4 4037 B12R1.27 CCC(C)NCc1ccccc1 207a_100000209981_100015611070 [0,0,0,0,0,2|1,0,1]=4 4038 B12R1.27 CCC(C)NCc1ccccc1 2230a_100000209981_100015291786 [0,0,0,0,0,2|1,0,1]=4 4039 B12R1.27 CCC(C)NCc1ccccc1 2230a_100015324214_100000758301 [0,0,0,0,0,2|1,0,1]=4 4040 B12R1.27 CCC(C)NCc1ccccc1 270004a_100000209981_100015611070 [0,0,0,0,0,2|1,0,1]=4 4041 B12R1.27 CCC(C)NCc1ccccc1 34a_100015324214_100011215416 [0,0,0,0,0,2|1,0,1]=4 4042 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [0,0,0,0,0,2|1,0,1]=4 4043 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [0,0,0,0,0,2|1,0,1]=4 4044 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [0,0,0,0,0,2|1,0,1]=4 4045 B12R1.27 CCC(C)SCc1ccccc1 62a_100000211182_100000758301 [0,0,0,0,0,2|1,0,1]=4 4046 B12R1.27 CCC(C)SCc1ccccc1 62a_100000758301_100015291786 [0,0,0,0,0,2|1,0,1]=4 4047 B12R1.27 CC[C@H](C)CNc1ccccc1 34a_100000106764_100009816398 [0,0,0,0,0,2|1,0,1]=4 4048 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [0,0,0,0,0,2|1,0,1]=4 4049 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [0,0,0,0,0,2|1,0,1]=4 4050 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100000719477_100009816398 [0,0,0,0,0,2|1,0,1]=4 4051 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100009816398_100000041952 [0,0,0,0,0,2|1,0,1]=4 4052 B12R1.27 CNC(C)CCc1ccccc1 2230a_100000210798_200000210301 [0,0,0,0,0,2|2,0,0]=4 4053 B12R1.27 CNC(C)CCc1ccccc1 270004a_106832991635_100000210092 [0,0,0,0,0,2|2,0,0]=4 4054 B12R1.27 CNC(C)CCc1ccccc1 34a_100000210798_200000210301 [0,0,0,0,0,2|2,0,0]=4 4055 B12R1.27 CNC(C)COc1ccccc1 2230a_100000746794_200000210301 [0,0,0,0,0,2|2,0,0]=4 4056 B12R1.27 CNC(C)COc1ccccc1 270004a_106832991635_100000150576 [0,0,0,0,0,2|2,0,0]=4 4057 B12R1.27 CNC(C)COc1ccccc1 34a_100000746794_200000210301 [0,0,0,0,0,2|2,0,0]=4 4058 B12R1.27 CNC(C)CSc1ccccc1 270004a_106832991635_100000150717 [0,0,0,0,0,2|2,0,0]=4 4059 B12R1.27 COC(C)C#Cc1ccccc1 34a_200000065209_200000210301 [0,0,0,0,0,2|2,0,0]=4 4060 B12R1.27 COC(C)C#Cc1ccccc1 7a_200000065209_200000210301 [0,0,0,0,0,2|2,0,0]=4 4061 B12R1.27 COC(C)COc1ccccc1 34a_100000210911_200000210301 [0,0,0,0,0,2|2,0,0]=4 4062 B12R1.27 COC(C)COc1ccccc1 7a_100000210911_200000210301 [0,0,0,0,0,2|2,0,0]=4 4063 B12R1.27 COC(C)SCc1ccccc1 62a_100000211182_100009879195 [0,0,0,0,0,2|2,0,0]=4 4064 B12R1.27 COC(C)SCc1ccccc1 62a_100009879195_100015291786 [0,0,0,0,0,2|2,0,0]=4 4065 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [0,0,0,0,0,2|2,0,0]=4 4066 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [0,0,0,0,0,2|2,0,0]=4 4067 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [0,0,0,0,0,2|2,0,0]=4 4068 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [0,0,0,0,0,2|2,0,0]=4 4069 B12R1.27 C[C@@H](CO)CNc1ccccc1 34a_100000106764_100000059175 [0,0,0,0,0,2|0,0,2]=4 4070 B12R1.27 C[C@@H](CO)COc1ccccc1 34a_100000210340_100000059175 [0,0,0,0,0,2|0,0,2]=4 4071 B12R1.27 C[C@@H](CO)COc1ccccc1 7a_100000210340_100000059175 [0,0,0,0,0,2|0,0,2]=4 4072 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000059175_100000041952 [0,0,0,0,0,2|0,0,2]=4 4073 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000719477_100000059175 [0,0,0,0,0,2|0,0,2]=4 4074 B12R1.27 C[C@H](CF)NCc1ccccc1 207a_100102880703_100015611070 [0,0,0,0,0,2|1,0,1]=4 4075 B12R1.27 C[C@H](CF)NCc1ccccc1 270004a_100102880703_100015611070 [0,0,0,0,0,2|1,0,1]=4 4076 B12R1.27 C[C@H](CO)NCc1ccccc1 207a_100000737577_100015611070 [0,0,0,0,0,2|0,0,2]=4 4077 B12R1.27 C[C@H](CO)NCc1ccccc1 2230a_100000737577_100015291786 [0,0,0,0,0,2|0,0,2]=4 4078 B12R1.27 C[C@H](CO)NCc1ccccc1 270004a_100000737577_100015611070 [0,0,0,0,0,2|0,0,2]=4 4079 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100000211182_100016084084 [0,0,0,0,0,2|0,0,2]=4 4080 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100016084084_100015291786 [0,0,0,0,0,2|0,0,2]=4