0 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [0,0,0,0,0,0|2,1,1]=4 2 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [0,0,0,0,0,0|2,1,1]=4 3 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200000703233_200025704644 [0,0,0,0,0,0|2,1,1]=4 4 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200025704644_200000703233 [0,0,0,0,0,0|2,1,1]=4 5 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.15 CNC(C)c1cccnn1 269862a_106832991636_100009866853 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.15 CNC(C)c1ccnnc1 269862a_106832991636_100012182992 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.15 CNC(C)c1cnccn1 2230a_106832991635_200000703233 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.15 CNC(C)c1cnccn1 269862a_106832991636_100000751083 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.15 CNC(C)c1cnccn1 7a_106832991635_200000703233 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.15 CNC(C)c1cncnc1 269862a_106832991636_100000757475 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.15 CN[C@H](C)c1cnccn1 2230a_100020589798_200000210301 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [0,0,0,0,0,0|2,0,1]=3 34 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [0,0,0,0,0,0|2,0,1]=3 35 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [0,0,0,0,0,0|2,0,1]=3 36 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [0,0,0,0,0,0|2,1,1]=4 37 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [0,0,0,0,0,0|2,1,1]=4 38 B10R1.15 CSC(C)c1cnccn1 62a_200000210301_200000703233 [0,0,0,0,0,0|2,1,1]=4 39 B10R1.15 CSC(C)c1cnccn1 62a_200000703233_200000210301 [0,0,0,0,0,0|2,1,1]=4 40 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.15 C[C@@H](N[13CH3])c1cnccn1 2230a_100020589798_200025704644 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [0,0,0,0,0,0|2,0,1]=3 43 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [0,0,0,0,0,0|2,0,1]=3 44 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [1,0,0,0,0,0|1,0,0]=2 48 B9R1.6 C=C(C)c1cccnn1 271570a_100000694244_100016991348 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.6 C=C(C)c1ccnnc1 271570a_100000694244_100000732662 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.6 C=C(C)c1cncnc1 271570a_100000694244_100011206942 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.6 C=C(C)c1cnnnc1 271570a_100000694244_100009846058 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.6 CN(C)c1cccnn1 27a_100102631434_100016991348 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.6 CN(C)c1cnccn1 27a_100102631434_100000211759 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [1,0,0,0,0,0|1,0,0]=2 64 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.8 C=C=Cc1cccnc1 271570a_100015277604_100000752921 [1,0,0,0,0,0|1,0,1]=3 66 B9R1.8 C=C=Cc1cccnn1 271570a_100015277604_100016991348 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.8 C=C=Cc1ccnnc1 271570a_100015277604_100000732662 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.8 C=C=Cc1cnccn1 271570a_100015277604_100000758340 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.8 C=C=Cc1cncnc1 271570a_100015277604_100011206942 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [1,0,0,0,0,0|1,0,0]=2 73 B9R1.8 CC=Cc1cccnn1 271570a_100016259895_100016991348 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.8 CC=Cc1ccnnc1 271570a_100016259895_100000732662 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.8 CC=Cc1cnccn1 271570a_100016259895_100000758340 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.8 CC=Cc1cncnc1 271570a_100016259895_100011206942 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.8 CC=Cc1cnnnc1 271570a_100016259895_100009846058 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.8 CCNc1cccnn1 27a_100015525214_100016991348 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.8 CCNc1cnccn1 27a_100015525214_100000211759 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.8 CCOc1ccnnc1 34a_100015204005_100000210202 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.8 CCOc1cncnc1 7a_100000754086_100000210202 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.8 CCSc1cccnn1 62a_100000210202_100016991348 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.8 CCSc1cccnn1 62a_100016991348_100000210202 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.8 CCSc1ccnnc1 62a_100000210202_100000732662 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.8 CCSc1ccnnc1 62a_100000732662_100000210202 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.8 CCSc1cnccn1 62a_100000210202_100000211759 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.8 CCSc1cnccn1 62a_100000211759_100000210202 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.8 CCSc1cncnc1 62a_100000210202_100011206942 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.8 CCSc1cncnc1 62a_100011206942_100000210202 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,0,0,0,0,0|2,0,1]=4 102 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,0,0,0,0,0|2,0,1]=4 103 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,0,0,0,0,0|2,0,1]=4 104 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,0,0,0,0,0|2,0,1]=4 105 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,0,0,0,0,0|2,0,1]=4 106 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,0,0,0,0,0|2,0,1]=4 107 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [1,0,0,0,0,0|1,0,1]=3 108 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [1,0,0,0,0,0|1,0,1]=3 109 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [1,0,0,0,0,0|1,0,1]=3 110 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [1,0,0,0,0,0|1,0,1]=3 111 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [1,0,0,0,0,0|1,0,1]=3 112 B9R1.8 CNCc1cccnn1 2230a_100159270163_200000210301 [1,0,0,0,0,0|2,0,1]=4 113 B9R1.8 CNCc1cccnn1 2230a_106832991635_100016990269 [1,0,0,0,0,0|2,0,1]=4 114 B9R1.8 CNCc1cccnn1 34a_100102657272_100016990269 [1,0,0,0,0,0|2,0,1]=4 115 B9R1.8 CNCc1cccnn1 7a_106832991635_100016990269 [1,0,0,0,0,0|2,0,1]=4 116 B9R1.8 CNCc1ccnnc1 270004a_106832991635_100011934578 [1,0,0,0,0,0|2,0,1]=4 117 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.8 CNCc1cncnc1 2230a_100011243677_200000210301 [1,0,0,0,0,0|2,0,1]=4 122 B9R1.8 CNCc1cncnc1 2230a_106832991635_100015196519 [1,0,0,0,0,0|2,0,1]=4 123 B9R1.8 CNCc1cncnc1 270004a_106832991635_100000749868 [1,0,0,0,0,0|2,0,1]=4 124 B9R1.8 CNCc1cncnc1 34a_100102657272_100015196519 [1,0,0,0,0,0|2,0,1]=4 125 B9R1.8 CNCc1cncnc1 7a_106832991635_100015196519 [1,0,0,0,0,0|2,0,1]=4 126 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,0,0,0,0,0|1,0,1]=3 127 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,0,0,0,0,0|1,0,1]=3 128 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,0,0,0,0,0|1,0,1]=3 129 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,0,0,0,0,0|2,0,1]=4 130 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [1,0,0,0,0,0|0,0,1]=2 131 B9R1.8 COCc1cccnn1 34a_100138415774_100016990269 [1,0,0,0,0,0|1,0,1]=3 132 B9R1.8 COCc1cnccn1 34a_100138415774_100016995436 [1,0,0,0,0,0|1,0,1]=3 133 B9R1.8 COCc1cncnc1 34a_100138415774_100015196519 [1,0,0,0,0,0|1,0,1]=3 134 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,0,0,0,0,0|1,1,1]=4 135 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,0,0,0,0,0|1,1,1]=4 136 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [1,0,0,0,0,0|0,1,1]=3 137 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [1,0,0,0,0,0|0,1,1]=3 138 B9R1.8 CSCc1cccnn1 62a_100016990269_200000210301 [1,0,0,0,0,0|1,1,1]=4 139 B9R1.8 CSCc1cccnn1 62a_200000210301_100016990269 [1,0,0,0,0,0|1,1,1]=4 140 B9R1.8 CSCc1cnccn1 62a_100016995436_200000210301 [1,0,0,0,0,0|1,1,1]=4 141 B9R1.8 CSCc1cnccn1 62a_200000210301_100016995436 [1,0,0,0,0,0|1,1,1]=4 142 B9R1.8 CSCc1cncnc1 62a_100015196519_200000210301 [1,0,0,0,0,0|1,1,1]=4 143 B9R1.8 CSCc1cncnc1 62a_200000210301_100015196519 [1,0,0,0,0,0|1,1,1]=4 144 B9R1.8 FCOc1cccnc1 34a_100000210849_100015361967 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.8 FCOc1cccnc1 7a_100000210849_100015361967 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.8 FCSc1cccnc1 62a_100000210063_100015361967 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.8 FCSc1cccnc1 62a_100015361967_100000210063 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,0,0,0,0,0|2,0,1]=4 149 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,0,0,0,0,0|2,0,1]=4 150 B9R1.8 [13CH3]NCc1cccnn1 2230a_100159270163_200025704644 [1,0,0,0,0,0|2,0,1]=4 151 B9R1.8 [13CH3]NCc1cncnc1 2230a_100011243677_200025704644 [1,0,0,0,0,0|2,0,1]=4 152 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,0,0,0,0,0|1,0,1]=3 153 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,0,0,0,0,0|1,0,1]=3 154 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,0,0,0,0,0|1,1,1]=4 155 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,0,0,0,0,0|1,1,1]=4 156 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [1,0,0,0,0,0|0,1,1]=3 157 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [1,0,0,0,0,0|0,1,1]=3 158 B9R1.8 [13CH3]SCc1cccnn1 62a_100016990269_200025704644 [1,0,0,0,0,0|1,1,1]=4 159 B9R1.8 [13CH3]SCc1cccnn1 62a_200025704644_100016990269 [1,0,0,0,0,0|1,1,1]=4 160 B9R1.8 [13CH3]SCc1cnccn1 62a_100016995436_200025704644 [1,0,0,0,0,0|1,1,1]=4 161 B9R1.8 [13CH3]SCc1cnccn1 62a_200025704644_100016995436 [1,0,0,0,0,0|1,1,1]=4 162 B9R1.8 [13CH3]SCc1cncnc1 62a_100015196519_200025704644 [1,0,0,0,0,0|1,1,1]=4 163 B9R1.8 [13CH3]SCc1cncnc1 62a_200025704644_100015196519 [1,0,0,0,0,0|1,1,1]=4 164 B11R1.7 CC(C)(N[13CH3])c1cccnc1 2230a_100011376175_200025704644 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.7 CC(C)(O[13CH3])c1ccccc1 7a_100000694644_200025704644 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.7 CNC(C)(C)c1cccnc1 2230a_100011376175_200000210301 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.7 CNS(=O)(=O)c1ccccc1 270084a_100102657272_100000210345 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.7 CNS(=O)(=O)c1ccccc1 274078a_100102657272_100000210345 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.7 CNS(=O)(=O)c1ccccc1 40a_100102657272_100000032697 [0,1,0,0,0,0|3,0,0]=4 170 B11R1.7 CNS(=O)(=O)c1cccnc1 270084a_100102657272_100000736704 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.7 CNS(=O)(=O)c1cccnc1 274078a_100102657272_100000736704 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.7 COC(C)(C)c1ccccc1 7a_100000694644_200000210301 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.12 C#CC(OC)c1ccccc1 34a_100011219616_200000210301 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.12 C#CC(OC)c1ccccc1 7a_100011219616_200000210301 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.12 C#CC(O[13CH3])c1ccccc1 34a_100011219616_200025704644 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.12 C#CC(O[13CH3])c1ccccc1 7a_100011219616_200025704644 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.12 C=CC(OC)c1ccccc1 34a_100011215659_200000210301 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.12 C=CC(OC)c1ccccc1 7a_100011215659_200000210301 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.12 C=CC(O[13CH3])c1ccccc1 34a_100011215659_200025704644 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.12 C=CC(O[13CH3])c1ccccc1 7a_100011215659_200025704644 [0,1,0,0,0,0|2,0,1]=4 181 B11R1.12 CCC(NC)c1cccnc1 2230a_100000246009_200000210301 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.12 CCC(NC)c1cccnc1 269862a_106832991636_100011218761 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.12 CCC(N[13CH3])c1cccnc1 2230a_100000246009_200025704644 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.12 COC(C#N)c1ccccc1 7a_100011217353_200000210301 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.12 COC(CBr)c1ccccc1 7a_100000185958_200000210301 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.12 COC(CN)c1ccccc1 34a_100000210709_200000210301 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.12 CO[C@H](CCl)c1ccccc1 34a_100011933945_200000210301 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.12 CO[C@H](CCl)c1ccccc1 7a_100011933945_200000210301 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.12 [13CH3]OC(C#N)c1ccccc1 7a_100011217353_200025704644 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.12 [13CH3]OC(CBr)c1ccccc1 7a_100000185958_200025704644 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.12 [13CH3]OC(CN)c1ccccc1 34a_100000210709_200025704644 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 34a_100011933945_200025704644 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 7a_100011933945_200025704644 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.16 C#CCC(=O)c1ccccc1 1458a_100000185807_100000184674 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [0,1,0,0,0,0|2,0,0]=3 204 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.16 CCNC(C)c1cccnc1 2230a_100000195435_100000210202 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.16 CCNC(C)c1cccnc1 269862a_100015525214_100000210468 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.16 CNCC(=O)c1ccncc1 7a_106832991635_100015248511 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.16 CNCC(O)c1cccnc1 2230a_100020605170_200000210301 [0,1,0,0,0,0|1,0,2]=4 216 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.16 COCC(=O)c1ccccn1 34a_100138415774_100000027445 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [0,1,0,0,0,0|2,0,1]=4 219 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [0,1,0,0,0,0|1,0,2]=4 222 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [0,1,0,0,0,0|2,0,1]=4 225 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [0,1,0,0,0,0|1,0,2]=4 226 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [0,1,0,0,0,0|1,1,0]=3 227 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [0,1,0,0,0,0|1,1,0]=3 228 B11R1.16 CSCC(=O)c1ccccn1 62a_100000027445_200000210301 [0,1,0,0,0,0|2,1,0]=4 229 B11R1.16 CSCC(=O)c1ccccn1 62a_200000210301_100000027445 [0,1,0,0,0,0|2,1,0]=4 230 B11R1.16 CSCC(=O)c1cccnc1 62a_100000757877_200000210301 [0,1,0,0,0,0|0,1,0]=2 231 B11R1.16 CSCC(=O)c1cccnc1 62a_200000210301_100000757877 [0,1,0,0,0,0|0,1,0]=2 232 B11R1.16 CSCC(=O)c1ccncc1 62a_100000027454_200000210301 [0,1,0,0,0,0|2,1,0]=4 233 B11R1.16 CSCC(=O)c1ccncc1 62a_200000210301_100000027454 [0,1,0,0,0,0|2,1,0]=4 234 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [0,1,0,0,0,0|2,1,0]=4 235 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [0,1,0,0,0,0|2,0,1]=4 238 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [0,1,0,0,0,0|2,0,0]=3 239 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.16 [13CH3]NCC(O)c1cccnc1 2230a_100020605170_200025704644 [0,1,0,0,0,0|1,0,2]=4 241 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [0,1,0,0,0,0|2,0,1]=4 242 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [0,1,0,0,0,0|1,1,0]=3 243 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [0,1,0,0,0,0|1,1,0]=3 244 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_100000027445_200025704644 [0,1,0,0,0,0|2,1,0]=4 245 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_200025704644_100000027445 [0,1,0,0,0,0|2,1,0]=4 246 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_100000757877_200025704644 [0,1,0,0,0,0|0,1,0]=2 247 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_200025704644_100000757877 [0,1,0,0,0,0|0,1,0]=2 248 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_100000027454_200025704644 [0,1,0,0,0,0|2,1,0]=4 249 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_200025704644_100000027454 [0,1,0,0,0,0|2,1,0]=4 250 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [0,1,0,0,0,0|2,1,0]=4 251 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 34a_100000745893_200025704644 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 7a_100000745893_200025704644 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 34a_100000181323_200025704644 [0,1,0,0,0,0|2,0,1]=4 254 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 7a_100000181323_200025704644 [0,1,0,0,0,0|2,0,1]=4 255 B11R1.22 CC(O[13CH3])c1ccc(cc1)N 34a_100011216399_200025704644 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.22 CC(O[13CH3])c1ccc(nc1)Br 34a_200010274204_200025704644 [0,1,0,0,0,0|1,0,1]=3 257 B11R1.22 CC(O[13CH3])c1ccc(nc1)Br 7a_200010274204_200025704644 [0,1,0,0,0,0|1,0,1]=3 258 B11R1.22 CC(O[13CH3])c1ccc(nc1)Cl 34a_200012017543_200025704644 [0,1,0,0,0,0|1,0,1]=3 259 B11R1.22 CC(O[13CH3])c1ccc(nc1)Cl 7a_200012017543_200025704644 [0,1,0,0,0,0|1,0,1]=3 260 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [0,1,0,0,0,0|2,0,0]=3 261 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [0,1,0,0,0,0|2,0,0]=3 262 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [0,1,0,0,0,0|2,0,0]=3 263 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [0,1,0,0,0,0|2,0,0]=3 265 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.22 CCC(=O)c1ccc(cn1)O 271570a_203496583355_100012351654 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [0,1,0,0,0,0|2,0,0]=3 269 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [0,1,0,0,0,0|2,0,0]=3 270 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [0,1,0,0,0,0|2,0,0]=3 272 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [0,1,0,0,0,0|2,0,0]=3 273 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [0,1,0,0,0,0|2,0,0]=3 274 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [0,1,0,0,0,0|2,0,0]=3 278 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [0,1,0,0,0,0|2,0,0]=3 279 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [0,1,0,0,0,0|2,0,0]=3 280 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [0,1,0,0,0,0|2,0,0]=3 281 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [0,1,0,0,0,0|2,0,0]=3 282 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [0,1,0,0,0,0|2,0,0]=3 283 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [0,1,0,0,0,0|2,0,0]=3 284 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [0,1,0,0,0,0|2,0,0]=3 285 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [0,1,0,0,0,0|2,0,0]=3 286 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [0,1,0,0,0,0|2,0,0]=3 287 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [0,1,0,0,0,0|2,0,0]=3 288 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [0,1,0,0,0,0|2,0,0]=3 289 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [0,1,0,0,0,0|2,0,0]=3 290 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [0,1,0,0,0,0|2,0,0]=3 291 B11R1.22 CNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781262 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.22 CNC(=O)c1ccc(nc1)O 271570a_203496583355_100000159860 [0,1,0,0,0,0|1,0,0]=2 293 B11R1.22 CNC(C)c1ccc(nc1)Br 269862a_106832991636_100000684857 [0,1,0,0,0,0|2,0,1]=4 294 B11R1.22 CNC(C)c1ccc(nc1)C 2230a_100011815741_200000210301 [0,1,0,0,0,0|2,0,1]=4 295 B11R1.22 CNC(C)c1ccc(nc1)C 269862a_106832991636_100011280547 [0,1,0,0,0,0|2,0,1]=4 296 B11R1.22 CNC(C)c1ccc(nc1)C 34a_100011815741_200000210301 [0,1,0,0,0,0|2,0,1]=4 297 B11R1.22 CNC(C)c1ccc(nc1)Cl 269862a_106832991636_100000690552 [0,1,0,0,0,0|2,0,1]=4 298 B11R1.22 CNC(C)c1ccc(nc1)F 269862a_106832991636_100000085738 [0,1,0,0,0,0|2,0,1]=4 299 B11R1.22 CN[C@@H](C)c1ccc(nc1)Br 2230a_100015387476_200000210301 [0,1,0,0,0,0|2,0,1]=4 300 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [0,1,0,0,0,0|1,0,0]=2 301 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [0,1,0,0,0,0|2,0,0]=3 302 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [0,1,0,0,0,0|0,0,0]=1 303 B11R1.22 COC(=O)c1ccc(nn1)O 271570a_203496583355_100009816182 [0,1,0,0,0,0|1,0,0]=2 304 B11R1.22 COC(=O)c1cnc(cn1)O 271570a_203496583355_100010219404 [0,1,0,0,0,0|1,0,0]=2 305 B11R1.22 COC(=O)c1cnc(nc1)O 271570a_203496583355_100000729365 [0,1,0,0,0,0|1,0,0]=2 306 B11R1.22 COC(=O)c1ncc(cn1)O 271570a_203496583355_100000690087 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100000745893_200000210301 [0,1,0,0,0,0|2,0,1]=4 308 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100138415774_100000755118 [0,1,0,0,0,0|2,0,1]=4 309 B11R1.22 COC(C)c1ccc(cc1)Br 7a_100000745893_200000210301 [0,1,0,0,0,0|2,0,1]=4 310 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [0,1,0,0,0,0|2,0,1]=4 311 B11R1.22 COC(C)c1ccc(cc1)F 34a_100000181323_200000210301 [0,1,0,0,0,0|2,0,1]=4 312 B11R1.22 COC(C)c1ccc(cc1)F 34a_100138415774_100000743420 [0,1,0,0,0,0|2,0,1]=4 313 B11R1.22 COC(C)c1ccc(cc1)F 7a_100000181323_200000210301 [0,1,0,0,0,0|2,0,1]=4 314 B11R1.22 COC(C)c1ccc(cc1)N 34a_100011216399_200000210301 [0,1,0,0,0,0|2,0,1]=4 315 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [0,1,0,0,0,0|2,0,1]=4 316 B11R1.22 COC(C)c1ccc(nc1)Br 34a_200010274204_200000210301 [0,1,0,0,0,0|1,0,1]=3 317 B11R1.22 COC(C)c1ccc(nc1)Br 7a_200010274204_200000210301 [0,1,0,0,0,0|1,0,1]=3 318 B11R1.22 COC(C)c1ccc(nc1)C 34a_200011815720_200000210301 [0,1,0,0,0,0|1,0,1]=3 319 B11R1.22 COC(C)c1ccc(nc1)C 7a_200011815720_200000210301 [0,1,0,0,0,0|1,0,1]=3 320 B11R1.22 COC(C)c1ccc(nc1)Cl 34a_200012017543_200000210301 [0,1,0,0,0,0|1,0,1]=3 321 B11R1.22 COC(C)c1ccc(nc1)Cl 7a_200012017543_200000210301 [0,1,0,0,0,0|1,0,1]=3 322 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200000210301 [0,1,0,0,0,0|2,0,1]=4 323 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_200000210301 [0,1,0,0,0,0|2,0,1]=4 324 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [0,1,0,0,0,0|2,0,1]=4 325 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [0,1,0,0,0,0|2,0,1]=4 326 B11R1.22 C[C@H](N[13CH3])c1ccc(nc1)Br 2230a_100015387476_200025704644 [0,1,0,0,0,0|2,0,1]=4 327 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 34a_100011852131_200025704644 [0,1,0,0,0,0|2,0,1]=4 328 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 7a_100011852131_200025704644 [0,1,0,0,0,0|2,0,1]=4 329 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [0,1,0,0,0,0|3,0,0]=4 330 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [0,1,0,0,0,0|2,0,1]=4 331 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [0,1,0,0,0,0|2,0,1]=4 332 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 2230a_100011815741_200025704644 [0,1,0,0,0,0|2,0,1]=4 333 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 34a_100011815741_200025704644 [0,1,0,0,0,0|2,0,1]=4 334 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 34a_200011815720_200025704644 [0,1,0,0,0,0|1,0,1]=3 335 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 7a_200011815720_200025704644 [0,1,0,0,0,0|1,0,1]=3 336 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [0,1,0,0,0,0|3,0,0]=4 338 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.22 NNC(=O)c1ccc(nc1)O 271570a_203496583355_100000189807 [0,1,0,0,0,0|2,0,0]=3 340 B11R1.22 NNC(=O)c1cnc(cn1)O 271570a_203496583355_200012021860 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.22 O=C(CF)c1ccc(cc1)Br 1458a_100000185839_100015361967 [0,1,0,0,0,0|3,0,0]=4 342 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.22 O=C(CF)c1ccc(cc1)F 1458a_100000187176_100015361967 [0,1,0,0,0,0|3,0,0]=4 344 B11R1.22 O=C(CF)c1ccc(cc1)I 1458a_100000187904_100015361967 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [0,1,0,0,0,0|3,0,0]=4 347 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.22 [2H]C(OC)c1ccc(cc1)F 34a_217856618577_200000210301 [0,1,0,0,0,0|2,0,1]=4 349 B11R1.22 [2H]C(OC)c1ccc(cc1)F 7a_217856618577_200000210301 [0,1,0,0,0,0|2,0,1]=4 350 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 34a_217856618577_200025704644 [0,1,0,0,0,0|2,0,1]=4 351 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 7a_217856618577_200025704644 [0,1,0,0,0,0|2,0,1]=4 352 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 34a_100000246457_200025704644 [0,1,0,0,0,0|2,0,1]=4 353 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 7a_100000246457_200025704644 [0,1,0,0,0,0|2,0,1]=4 354 B11R1.23 CC(O[13CH3])c1cccc(c1)F 34a_100000744526_200025704644 [0,1,0,0,0,0|2,0,1]=4 355 B11R1.23 CC(O[13CH3])c1cccc(c1)F 7a_100000744526_200025704644 [0,1,0,0,0,0|2,0,1]=4 356 B11R1.23 CC(O[13CH3])c1cccc(c1)I 34a_100013085317_200025704644 [0,1,0,0,0,0|2,0,1]=4 357 B11R1.23 CC(O[13CH3])c1cccc(c1)I 7a_100013085317_200025704644 [0,1,0,0,0,0|2,0,1]=4 358 B11R1.23 CC(O[13CH3])c1cccc(c1)N 34a_100011217120_200025704644 [0,1,0,0,0,0|2,0,1]=4 359 B11R1.23 CC(O[13CH3])c1cccc(c1)N 7a_100011217120_200025704644 [0,1,0,0,0,0|2,0,1]=4 360 B11R1.23 CC(O[13CH3])c1cncc(c1)Br 34a_100012351597_200025704644 [0,1,0,0,0,0|1,0,1]=3 361 B11R1.23 CC(O[13CH3])c1cncc(c1)Br 7a_100012351597_200025704644 [0,1,0,0,0,0|1,0,1]=3 362 B11R1.23 CCC(=O)c1cc(ccn1)O 271570a_203496583355_200000094848 [0,1,0,0,0,0|3,0,0]=4 363 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [0,1,0,0,0,0|2,0,0]=3 364 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [0,1,0,0,0,0|2,0,0]=3 365 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [0,1,0,0,0,0|2,0,0]=3 366 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [0,1,0,0,0,0|2,0,0]=3 367 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [0,1,0,0,0,0|2,0,0]=3 368 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [0,1,0,0,0,0|2,0,0]=3 369 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [0,1,0,0,0,0|2,0,0]=3 370 B11R1.23 CCC(=O)c1cccc(n1)O 271570a_203496583355_100011004013 [0,1,0,0,0,0|3,0,0]=4 371 B11R1.23 CNC(=O)c1cc(ccn1)O 271570a_203496583355_100000204654 [0,1,0,0,0,0|3,0,0]=4 372 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [0,1,0,0,0,0|2,0,0]=3 373 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [0,1,0,0,0,0|2,0,0]=3 374 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [0,1,0,0,0,0|2,0,0]=3 375 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [0,1,0,0,0,0|2,0,0]=3 376 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [0,1,0,0,0,0|2,0,0]=3 377 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [0,1,0,0,0,0|2,0,0]=3 378 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [0,1,0,0,0,0|2,0,0]=3 379 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [0,1,0,0,0,0|2,0,0]=3 380 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [0,1,0,0,0,0|2,0,0]=3 382 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [0,1,0,0,0,0|2,0,0]=3 383 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [0,1,0,0,0,0|2,0,0]=3 384 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [0,1,0,0,0,0|2,0,0]=3 385 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [0,1,0,0,0,0|2,0,0]=3 386 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [0,1,0,0,0,0|2,0,0]=3 387 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [0,1,0,0,0,0|2,0,0]=3 388 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [0,1,0,0,0,0|2,0,0]=3 389 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [0,1,0,0,0,0|2,0,0]=3 390 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [0,1,0,0,0,0|2,0,0]=3 391 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [0,1,0,0,0,0|2,0,0]=3 392 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [0,1,0,0,0,0|2,0,0]=3 393 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [0,1,0,0,0,0|2,0,0]=3 394 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [0,1,0,0,0,0|2,0,0]=3 395 B11R1.23 CNC(=O)c1cccc(n1)O 271570a_203496583355_100000755456 [0,1,0,0,0,0|3,0,0]=4 396 B11R1.23 CNC(=O)c1ccnc(c1)O 271570a_203496583355_100011196506 [0,1,0,0,0,0|3,0,0]=4 397 B11R1.23 CNC(=O)c1cncc(c1)O 271570a_203496583355_200000155086 [0,1,0,0,0,0|1,0,0]=2 398 B11R1.23 CNC(C)c1cncc(c1)Br 269862a_106832991636_100011216243 [0,1,0,0,0,0|2,0,1]=4 399 B11R1.23 CNC(C)c1cncc(c1)C 269862a_106832991636_100000702010 [0,1,0,0,0,0|2,0,1]=4 400 B11R1.23 CNC(C)c1cncc(c1)F 269862a_106832991636_100000758212 [0,1,0,0,0,0|2,0,1]=4 401 B11R1.23 CN[C@H](C)c1cncc(c1)Br 2230a_100012350620_200000210301 [0,1,0,0,0,0|2,0,1]=4 402 B11R1.23 COC(=O)c1cc(ccn1)O 271570a_203496583355_100000693414 [0,1,0,0,0,0|2,0,0]=3 403 B11R1.23 COC(=O)c1cc(ncn1)O 271570a_203496583355_100000051410 [0,1,0,0,0,0|3,0,0]=4 404 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [0,1,0,0,0,0|1,0,0]=2 405 B11R1.23 COC(=O)c1cccc(n1)O 271570a_203496583355_100000708286 [0,1,0,0,0,0|2,0,0]=3 406 B11R1.23 COC(=O)c1ccnc(c1)O 271570a_203496583355_100011934382 [0,1,0,0,0,0|2,0,0]=3 407 B11R1.23 COC(=O)c1ccnc(n1)O 271570a_203496583355_100000070389 [0,1,0,0,0,0|3,0,0]=4 408 B11R1.23 COC(=O)c1cncc(c1)O 271570a_203496583355_100000148912 [0,1,0,0,0,0|0,0,0]=1 409 B11R1.23 COC(=O)c1cncc(n1)O 271570a_203496583355_100000765340 [0,1,0,0,0,0|1,0,0]=2 410 B11R1.23 COC(=O)c1cnnc(c1)O 271570a_203496583355_100009862058 [0,1,0,0,0,0|1,0,0]=2 411 B11R1.23 COC(C)c1cccc(c1)Br 34a_100000246457_200000210301 [0,1,0,0,0,0|2,0,1]=4 412 B11R1.23 COC(C)c1cccc(c1)Br 7a_100000246457_200000210301 [0,1,0,0,0,0|2,0,1]=4 413 B11R1.23 COC(C)c1cccc(c1)C 34a_100000757818_200000210301 [0,1,0,0,0,0|2,0,1]=4 414 B11R1.23 COC(C)c1cccc(c1)C 7a_100000757818_200000210301 [0,1,0,0,0,0|2,0,1]=4 415 B11R1.23 COC(C)c1cccc(c1)F 34a_100000744526_200000210301 [0,1,0,0,0,0|2,0,1]=4 416 B11R1.23 COC(C)c1cccc(c1)F 7a_100000744526_200000210301 [0,1,0,0,0,0|2,0,1]=4 417 B11R1.23 COC(C)c1cccc(c1)I 34a_100013085317_200000210301 [0,1,0,0,0,0|2,0,1]=4 418 B11R1.23 COC(C)c1cccc(c1)I 7a_100013085317_200000210301 [0,1,0,0,0,0|2,0,1]=4 419 B11R1.23 COC(C)c1cccc(c1)N 34a_100011217120_200000210301 [0,1,0,0,0,0|2,0,1]=4 420 B11R1.23 COC(C)c1cccc(c1)N 7a_100011217120_200000210301 [0,1,0,0,0,0|2,0,1]=4 421 B11R1.23 COC(C)c1cncc(c1)Br 34a_100012351597_200000210301 [0,1,0,0,0,0|1,0,1]=3 422 B11R1.23 COC(C)c1cncc(c1)Br 7a_100012351597_200000210301 [0,1,0,0,0,0|1,0,1]=3 423 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_200000210301 [0,1,0,0,0,0|2,0,1]=4 424 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_200000210301 [0,1,0,0,0,0|2,0,1]=4 425 B11R1.23 C[C@@H](N[13CH3])c1cncc(c1)Br 2230a_100012350620_200025704644 [0,1,0,0,0,0|2,0,1]=4 426 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 34a_100000747380_200025704644 [0,1,0,0,0,0|2,0,1]=4 427 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 7a_100000747380_200025704644 [0,1,0,0,0,0|2,0,1]=4 428 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [0,1,0,0,0,0|3,0,0]=4 429 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 34a_100000757818_200025704644 [0,1,0,0,0,0|2,0,1]=4 430 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 7a_100000757818_200025704644 [0,1,0,0,0,0|2,0,1]=4 431 B11R1.23 N#CC(=O)c1cccc(c1)O 271570a_203496583355_100010169886 [0,1,0,0,0,0|3,0,0]=4 432 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [0,1,0,0,0,0|3,0,0]=4 433 B11R1.23 NNC(=O)c1cccc(c1)O 271570a_203496583355_100000189783 [0,1,0,0,0,0|3,0,0]=4 434 B11R1.23 NNC(=O)c1cncc(c1)O 271570a_203496583355_100000189809 [0,1,0,0,0,0|2,0,0]=3 435 B11R1.23 O=C(CF)c1cccc(c1)Br 1458a_100000210664_100015361967 [0,1,0,0,0,0|3,0,0]=4 436 B11R1.23 O=C(CF)c1cccc(c1)Cl 1458a_100000210390_100015361967 [0,1,0,0,0,0|3,0,0]=4 437 B11R1.23 O=C(CF)c1cccc(c1)F 1458a_100000210950_100015361967 [0,1,0,0,0,0|3,0,0]=4 438 B11R1.23 O=C(CF)c1cccc(c1)I 1458a_100000184098_100015361967 [0,1,0,0,0,0|3,0,0]=4 439 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [0,1,0,0,0,0|3,0,0]=4 440 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [0,1,0,0,0,0|3,0,0]=4 441 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,1,0,0,0,0|3,0,0]=4 443 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [0,1,0,0,0,0|3,0,0]=4 444 B11R1.36 CC(=C(C)c1cccnc1)C 271570a_200000049429_100000752921 [0,1,0,0,0,0|2,0,0]=3 445 B11R1.36 CC(=C(C)c1cccnn1)C 271570a_200000049429_100016991348 [0,1,0,0,0,0|3,0,0]=4 446 B11R1.36 CC(=C(C)c1ccnnc1)C 271570a_200000049429_100000732662 [0,1,0,0,0,0|3,0,0]=4 447 B11R1.36 CC(=C(C)c1cnccn1)C 271570a_200000049429_100000758340 [0,1,0,0,0,0|3,0,0]=4 448 B11R1.36 CC(=C(C)c1cncnc1)C 271570a_200000049429_100011206942 [0,1,0,0,0,0|3,0,0]=4 449 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [0,1,0,0,0,0|2,0,0]=3 450 B11R1.36 CC(c1cccnc1)N(C)C 2230a_100000232774_200000210301 [0,1,0,0,0,0|2,0,1]=4 451 B11R1.36 CC(c1cccnc1)N(C)C 269982a_100000232774_200000210301 [0,1,0,0,0,0|2,0,1]=4 452 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 2230a_100000232774_200025704644 [0,1,0,0,0,0|2,0,1]=4 453 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 269982a_100000232774_200025704644 [0,1,0,0,0,0|2,0,1]=4 454 B11R1.36 CN(C)C(=O)c1ccccc1 11a_100102631434_100000185807 [0,1,0,0,0,0|2,0,0]=3 455 B11R1.36 CN(C)C(=O)c1ccccc1 1626a_100102631434_100000185807 [0,1,0,0,0,0|2,0,0]=3 456 B11R1.36 CN(C)C(=O)c1ccccc1 240690a_100102631434_100000185807 [0,1,0,0,0,0|2,0,0]=3 457 B11R1.36 CN(C)C(=O)c1ccccc1 527a_100102631434_100000185807 [0,1,0,0,0,0|2,0,0]=3 458 B11R1.222 CC(N[13CH3])c1cccnc1O 2230a_100159269580_200025704644 [0,1,0,0,0,0|2,0,1]=4 459 B11R1.222 CC(O[13CH3])c1ccccc1Br 34a_100000702211_200025704644 [0,1,0,0,0,0|2,0,1]=4 460 B11R1.222 CC(O[13CH3])c1ccccc1Br 7a_100000702211_200025704644 [0,1,0,0,0,0|2,0,1]=4 461 B11R1.222 CC(O[13CH3])c1ccccc1Cl 34a_100000740796_200025704644 [0,1,0,0,0,0|2,0,1]=4 462 B11R1.222 CC(O[13CH3])c1ccccc1Cl 7a_100000740796_200025704644 [0,1,0,0,0,0|2,0,1]=4 463 B11R1.222 CC(O[13CH3])c1ccccc1F 34a_100000697922_200025704644 [0,1,0,0,0,0|2,0,1]=4 464 B11R1.222 CC(O[13CH3])c1ccccc1F 7a_100000697922_200025704644 [0,1,0,0,0,0|2,0,1]=4 465 B11R1.222 CC(O[13CH3])c1ccccc1N 7a_100011405641_200025704644 [0,1,0,0,0,0|2,0,1]=4 466 B11R1.222 CC(O[13CH3])c1cccnc1Cl 34a_100009865335_200025704644 [0,1,0,0,0,0|1,0,1]=3 467 B11R1.222 CC(O[13CH3])c1cccnc1Cl 7a_100009865335_200025704644 [0,1,0,0,0,0|1,0,1]=3 468 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [0,1,0,0,0,0|2,0,0]=3 469 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [0,1,0,0,0,0|2,0,0]=3 470 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [0,1,0,0,0,0|2,0,0]=3 471 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [0,1,0,0,0,0|2,0,0]=3 472 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [0,1,0,0,0,0|2,0,0]=3 473 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [0,1,0,0,0,0|2,0,0]=3 474 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [0,1,0,0,0,0|2,0,0]=3 475 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [0,1,0,0,0,0|2,0,0]=3 476 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [0,1,0,0,0,0|2,0,0]=3 477 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [0,1,0,0,0,0|2,0,0]=3 478 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [0,1,0,0,0,0|2,0,0]=3 479 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [0,1,0,0,0,0|2,0,0]=3 480 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [0,1,0,0,0,0|2,0,0]=3 481 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [0,1,0,0,0,0|2,0,0]=3 482 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [0,1,0,0,0,0|2,0,0]=3 483 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [0,1,0,0,0,0|2,0,0]=3 484 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [0,1,0,0,0,0|2,0,0]=3 485 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [0,1,0,0,0,0|2,0,0]=3 486 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [0,1,0,0,0,0|2,0,0]=3 487 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [0,1,0,0,0,0|2,0,0]=3 488 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [0,1,0,0,0,0|2,0,0]=3 489 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [0,1,0,0,0,0|2,0,0]=3 490 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [0,1,0,0,0,0|2,0,0]=3 491 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [0,1,0,0,0,0|2,0,0]=3 492 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [0,1,0,0,0,0|2,0,0]=3 493 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [0,1,0,0,0,0|2,0,0]=3 494 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [0,1,0,0,0,0|2,0,0]=3 495 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [0,1,0,0,0,0|2,0,0]=3 496 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [0,1,0,0,0,0|2,0,0]=3 497 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [0,1,0,0,0,0|2,0,0]=3 498 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [0,1,0,0,0,0|2,0,0]=3 499 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [0,1,0,0,0,0|2,0,0]=3 500 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [0,1,0,0,0,0|1,0,0]=2 501 B11R1.222 CNC(C)c1cccnc1C 269862a_106832991636_100011995960 [0,1,0,0,0,0|2,0,1]=4 502 B11R1.222 CNC(C)c1cccnc1O 2230a_100159269580_200000210301 [0,1,0,0,0,0|2,0,1]=4 503 B11R1.222 CNC(C)c1cnccc1C 269862a_106832991636_100000693228 [0,1,0,0,0,0|2,0,1]=4 504 B11R1.222 CNC(C)c1cnccc1Cl 269862a_106832991636_100160469449 [0,1,0,0,0,0|2,0,1]=4 505 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [0,1,0,0,0,0|1,0,0]=2 506 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [0,1,0,0,0,0|0,0,0]=1 507 B11R1.222 COC(=O)c1ccncc1O 271570a_203496583355_100010008606 [0,1,0,0,0,0|2,0,0]=3 508 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [0,1,0,0,0,0|0,0,0]=1 509 B11R1.222 COC(=O)c1cncnc1O 271570a_203496583355_100000726419 [0,1,0,0,0,0|1,0,0]=2 510 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [0,1,0,0,0,0|2,0,0]=3 511 B11R1.222 COC(=O)c1nccnc1O 271570a_203496583355_100000688410 [0,1,0,0,0,0|1,0,0]=2 512 B11R1.222 COC(=O)c1ncncc1O 271570a_203496583355_100012360100 [0,1,0,0,0,0|3,0,0]=4 513 B11R1.222 COC(C)c1ccccc1Br 34a_100000702211_200000210301 [0,1,0,0,0,0|2,0,1]=4 514 B11R1.222 COC(C)c1ccccc1Br 7a_100000702211_200000210301 [0,1,0,0,0,0|2,0,1]=4 515 B11R1.222 COC(C)c1ccccc1C 34a_100000742021_200000210301 [0,1,0,0,0,0|2,0,1]=4 516 B11R1.222 COC(C)c1ccccc1C 7a_100000742021_200000210301 [0,1,0,0,0,0|2,0,1]=4 517 B11R1.222 COC(C)c1ccccc1Cl 34a_100000740796_200000210301 [0,1,0,0,0,0|2,0,1]=4 518 B11R1.222 COC(C)c1ccccc1Cl 7a_100000740796_200000210301 [0,1,0,0,0,0|2,0,1]=4 519 B11R1.222 COC(C)c1ccccc1F 34a_100000697922_200000210301 [0,1,0,0,0,0|2,0,1]=4 520 B11R1.222 COC(C)c1ccccc1F 34a_100138415774_200000741388 [0,1,0,0,0,0|2,0,1]=4 521 B11R1.222 COC(C)c1ccccc1F 7a_100000697922_200000210301 [0,1,0,0,0,0|2,0,1]=4 522 B11R1.222 COC(C)c1ccccc1N 7a_100011405641_200000210301 [0,1,0,0,0,0|2,0,1]=4 523 B11R1.222 COC(C)c1cccnc1Cl 34a_100009865335_200000210301 [0,1,0,0,0,0|1,0,1]=3 524 B11R1.222 COC(C)c1cccnc1Cl 7a_100009865335_200000210301 [0,1,0,0,0,0|1,0,1]=3 525 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [0,1,0,0,0,0|3,0,0]=4 526 B11R1.222 Cc1ccccc1C(C)O[13CH3] 34a_100000742021_200025704644 [0,1,0,0,0,0|2,0,1]=4 527 B11R1.222 Cc1ccccc1C(C)O[13CH3] 7a_100000742021_200025704644 [0,1,0,0,0,0|2,0,1]=4 528 B11R1.222 NNC(=O)c1ccccc1O 271570a_203496583355_100000190081 [0,1,0,0,0,0|3,0,0]=4 529 B11R1.222 O=C(CF)c1ccccc1Br 1458a_100000188424_100015361967 [0,1,0,0,0,0|3,0,0]=4 530 B11R1.222 O=C(CF)c1ccccc1Cl 1458a_100000185844_100015361967 [0,1,0,0,0,0|3,0,0]=4 531 B11R1.222 O=C(CF)c1ccccc1F 1458a_100000188656_100015361967 [0,1,0,0,0,0|3,0,0]=4 532 B11R1.222 O=C(CF)c1ccccc1I 1458a_100000187884_100015361967 [0,1,0,0,0,0|3,0,0]=4 533 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [0,1,0,0,0,0|3,0,0]=4 534 B11R1.222 O=C(CF)c1ccccc1[O-] 1458a_100009911694_100015361967 [0,1,0,0,0,0|3,0,0]=4 535 B9R0.8 C=CCNC(=O)C(=O)OC 1626a_100020586998_100000024059 [0,0,1,0,0,0|3,0,0]=4 536 B9R0.8 C=CCNC(=O)C(=O)OC 240690a_100020586998_100000024059 [0,0,1,0,0,0|3,0,0]=4 537 B9R0.8 C=CCNC(=O)C(=O)OC 527a_100020586998_100000024059 [0,0,1,0,0,0|3,0,0]=4 538 B11R2.1 Oc1c[nH]c2c1cccn2 271570a_203496583355_100011934613 [0,0,0,1,0,0|2,0,1]=4 539 B11R2.1 Oc1c[nH]c2c1cncc2 271570a_203496583355_100011934843 [0,0,0,1,0,0|2,0,1]=4 540 B11R2.1 Oc1csc2c1cccn2 271570a_203496583355_100009830249 [0,0,0,1,0,0|2,0,1]=4 541 B11R2.1 Oc1csc2c1cncc2 271570a_203496583355_100010247091 [0,0,0,1,0,0|2,0,1]=4 542 B11R2.1 Oc1n[nH]c2c1cccn2 271570a_203496583355_100009888962 [0,0,0,1,0,0|2,0,1]=4 543 B11R2.1 Oc1n[nH]c2c1cncc2 271570a_203496583355_100010724670 [0,0,0,1,0,0|2,0,1]=4 544 B9R1.11 CC(O[13CH3])c1ccsc1 34a_100011350980_200025704644 [0,0,0,0,1,0|2,0,1]=4 545 B9R1.11 CC(O[13CH3])c1ccsc1 7a_100011350980_200025704644 [0,0,0,0,1,0|2,0,1]=4 546 B9R1.11 CC(O[13CH3])c1nccs1 7a_100000751044_200025704644 [0,0,0,0,1,0|2,0,1]=4 547 B9R1.11 COC(C)c1ccsc1 34a_100011350980_200000210301 [0,0,0,0,1,0|2,0,1]=4 548 B9R1.11 COC(C)c1ccsc1 7a_100011350980_200000210301 [0,0,0,0,1,0|2,0,1]=4 549 B9R1.11 COC(C)c1nccs1 7a_100000751044_200000210301 [0,0,0,0,1,0|2,0,1]=4 550 B9R1.11 CO[C@@H](C)c1ccco1 34a_100000755270_200000210301 [0,0,0,0,1,0|2,0,1]=4 551 B9R1.11 CO[C@@H](C)c1ccco1 7a_100000755270_200000210301 [0,0,0,0,1,0|2,0,1]=4 552 B9R1.11 CO[C@H](C)c1cccs1 7a_100000750433_200000210301 [0,0,0,0,1,0|2,0,1]=4 553 B9R1.11 C[C@@H](O[13CH3])c1cccs1 7a_100000750433_200025704644 [0,0,0,0,1,0|2,0,1]=4 554 B9R1.11 C[C@H](O[13CH3])c1ccco1 34a_100000755270_200025704644 [0,0,0,0,1,0|2,0,1]=4 555 B9R1.11 C[C@H](O[13CH3])c1ccco1 7a_100000755270_200025704644 [0,0,0,0,1,0|2,0,1]=4 556 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [0,0,0,0,0,1|2,0,1]=4 557 B11R1.40 C#CC(=O)Cc1cccnc1 1458a_100000211873_100000733263 [0,0,0,0,0,1|1,0,1]=3 558 B11R1.40 C#CC(=O)Cc1cccnn1 1458a_100000211873_100016990269 [0,0,0,0,0,1|2,0,1]=4 559 B11R1.40 C#CC(=O)Cc1cnccn1 1458a_100000211873_100016995436 [0,0,0,0,0,1|2,0,1]=4 560 B11R1.40 C#CC(=O)Cc1cncnc1 1458a_100000211873_100015196519 [0,0,0,0,0,1|2,0,1]=4 561 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,0,0,0,0,1|2,0,1]=4 562 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [0,0,0,0,0,1|1,0,1]=3 563 B11R1.40 C=CC(=O)Cc1cccnn1 1458a_100000185746_100016990269 [0,0,0,0,0,1|2,0,1]=4 564 B11R1.40 C=CC(=O)Cc1cnccn1 1458a_100000185746_100016995436 [0,0,0,0,0,1|2,0,1]=4 565 B11R1.40 C=CC(=O)Cc1cncnc1 1458a_100000185746_100015196519 [0,0,0,0,0,1|2,0,1]=4 566 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [0,0,0,0,0,1|2,0,1]=4 567 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [0,0,0,0,0,1|2,0,1]=4 568 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,0,0,0,0,1|2,0,1]=4 569 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,0,0,0,0,1|2,0,1]=4 570 B11R1.40 CC(Cc1cccnc1)N[13CH3] 2230a_100011207255_200025704644 [0,0,0,0,0,1|2,0,1]=4 571 B11R1.40 CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210202 [0,0,0,0,0,1|3,0,0]=4 572 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,0,0,0,0,1|2,0,0]=3 573 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,0,0,0,0,1|3,0,0]=4 574 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,0,0,0,0,1|3,0,0]=4 575 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [0,0,0,0,0,1|1,0,0]=2 576 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [0,0,0,0,0,1|1,0,0]=2 577 B11R1.40 CCC(=O)Cc1cccnn1 1458a_100000210414_100016990269 [0,0,0,0,0,1|2,0,0]=3 578 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [0,0,0,0,0,1|3,0,0]=4 579 B11R1.40 CCC(=O)Cc1cnccn1 1458a_100000210414_100016995436 [0,0,0,0,0,1|2,0,0]=3 580 B11R1.40 CCC(=O)Cc1cncnc1 1458a_100000210414_100015196519 [0,0,0,0,0,1|2,0,0]=3 581 B11R1.40 CCC(=O)Cc1cncnc1 1458a_100000721575_100000210202 [0,0,0,0,0,1|2,0,0]=3 582 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,0,0,0,0,1|2,0,0]=3 583 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,0,0,0,0,1|2,0,0]=3 584 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,0,0,0,0,1|2,0,0]=3 585 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,0,0,0,0,1|2,0,0]=3 586 B11R1.40 CCC(C)Oc1cccnc1 34a_100000210849_100011215416 [0,0,0,0,0,1|2,0,1]=4 587 B11R1.40 CCC(C)Oc1cccnc1 7a_100000210849_100000758301 [0,0,0,0,0,1|2,0,1]=4 588 B11R1.40 CCC(C)Sc1cccnc1 62a_100000210063_100000758301 [0,0,0,0,0,1|2,0,1]=4 589 B11R1.40 CCC(C)Sc1cccnc1 62a_100000758301_100000210063 [0,0,0,0,0,1|2,0,1]=4 590 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000184577_100000210202 [0,0,0,0,0,1|3,0,0]=4 591 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000186920_200000210301 [0,0,0,0,0,1|3,0,0]=4 592 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000225621_100000741622 [0,0,0,0,0,1|3,0,0]=4 593 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000184577_100000204670 [0,0,0,0,0,1|3,0,0]=4 594 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000186920_200000210301 [0,0,0,0,0,1|3,0,0]=4 595 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000225621_100000733263 [0,0,0,0,0,1|3,0,0]=4 596 B11R1.40 CCN([13CH3])Cc1cccnc1 2230a_100000186920_200025704644 [0,0,0,0,0,1|3,0,0]=4 597 B11R1.40 CCN([13CH3])Cc1cccnc1 269982a_100000186920_200025704644 [0,0,0,0,0,1|3,0,0]=4 598 B11R1.40 CNC(=O)C[n+]1ccccc1 11a_106832991635_200000086051 [0,0,0,0,0,1|3,0,0]=4 599 B11R1.40 CNC(=O)C[n+]1ccccc1 240690a_100102657272_200000086051 [0,0,0,0,0,1|3,0,0]=4 600 B11R1.40 CNC(=O)C[n+]1ccccc1 527a_100102657272_200000086051 [0,0,0,0,0,1|3,0,0]=4 601 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [0,0,0,0,0,1|3,0,0]=4 602 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [0,0,0,0,0,1|1,0,0]=2 603 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [0,0,0,0,0,1|1,0,0]=2 604 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [0,0,0,0,0,1|1,0,0]=2 605 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [0,0,0,0,0,1|3,0,0]=4 606 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [0,0,0,0,0,1|3,0,0]=4 607 B11R1.40 CNC(=O)Cc1cnccn1 11a_106832991635_100000726051 [0,0,0,0,0,1|2,0,0]=3 608 B11R1.40 CNC(=O)Cc1cnccn1 240690a_100102657272_100000726051 [0,0,0,0,0,1|2,0,0]=3 609 B11R1.40 CNC(=O)Cc1cnccn1 527a_100102657272_100000726051 [0,0,0,0,0,1|2,0,0]=3 610 B11R1.40 CNC(=O)Cc1cncnc1 11a_106832991635_100000721575 [0,0,0,0,0,1|2,0,0]=3 611 B11R1.40 CNC(=O)Cc1cncnc1 240690a_100102657272_100000721575 [0,0,0,0,0,1|2,0,0]=3 612 B11R1.40 CNC(=O)Cc1cncnc1 527a_100102657272_100000721575 [0,0,0,0,0,1|2,0,0]=3 613 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,0,0,0,0,1|2,0,0]=3 614 B11R1.40 CNC(C)Cc1cccnc1 2230a_100011207255_200000210301 [0,0,0,0,0,1|2,0,1]=4 615 B11R1.40 CNC(C)Cc1cccnc1 270004a_106832991635_100015187140 [0,0,0,0,0,1|2,0,1]=4 616 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,0,0,0,0,1|2,0,1]=4 617 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,0,0,0,0,1|2,0,1]=4 618 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,0,0,0,0,1|2,0,1]=4 619 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [0,0,0,0,0,1|2,0,1]=4 620 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [0,0,0,0,0,1|2,0,1]=4 621 B11R1.40 COC(C)Sc1cccnc1 62a_100000210063_100009879195 [0,0,0,0,0,1|1,0,1]=3 622 B11R1.40 COC(C)Sc1cccnc1 62a_100009879195_100000210063 [0,0,0,0,0,1|1,0,1]=3 623 B11R1.40 COC(C)Sc1cccnn1 62a_100009879195_100016991348 [0,0,0,0,0,1|2,0,1]=4 624 B11R1.40 COC(C)Sc1cccnn1 62a_100016991348_100009879195 [0,0,0,0,0,1|2,0,1]=4 625 B11R1.40 COC(C)Sc1ccnnc1 62a_100000732662_100009879195 [0,0,0,0,0,1|2,0,1]=4 626 B11R1.40 COC(C)Sc1ccnnc1 62a_100009879195_100000732662 [0,0,0,0,0,1|2,0,1]=4 627 B11R1.40 COC(C)Sc1cnccn1 62a_100000211759_100009879195 [0,0,0,0,0,1|2,0,1]=4 628 B11R1.40 COC(C)Sc1cnccn1 62a_100009879195_100000211759 [0,0,0,0,0,1|2,0,1]=4 629 B11R1.40 COC(C)Sc1cncnc1 62a_100009879195_100011206942 [0,0,0,0,0,1|2,0,1]=4 630 B11R1.40 COC(C)Sc1cncnc1 62a_100011206942_100009879195 [0,0,0,0,0,1|2,0,1]=4 631 B11R1.40 O=C(CF)Cc1cccnc1 1458a_100000737805_100015361967 [0,0,0,0,0,1|2,0,0]=3 632 B11R1.40 O=C(CF)Cc1cncnc1 1458a_100000721575_100015361967 [0,0,0,0,0,1|3,0,0]=4 633 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,0,0,0,0,1|3,0,0]=4 634 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [0,0,0,0,0,1|2,0,0]=3 635 B11R1.40 O=C(CO)Cc1cccnn1 1458a_100000210174_100016990269 [0,0,0,0,0,1|3,0,0]=4 636 B11R1.40 O=C(CO)Cc1cnccn1 1458a_100000210174_100016995436 [0,0,0,0,0,1|3,0,0]=4 637 B11R1.40 O=C(CO)Cc1cncnc1 1458a_100000210174_100015196519 [0,0,0,0,0,1|3,0,0]=4 638 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [0,0,0,0,0,1|3,0,0]=4 639 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [0,0,0,0,0,1|3,0,0]=4 640 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [1,0,1,0,0,0|1,0,1]=4 641 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [1,0,1,0,0,0|1,0,1]=4 642 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [1,0,1,0,0,0|1,0,1]=4 643 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [1,0,1,0,0,0|1,0,1]=4 644 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|1,0,1]=4 645 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [2,0,0,0,0,0|0,0,1]=3 646 B8R1.2 C=Cc1cccnn1 271570a_100011290941_100016991348 [2,0,0,0,0,0|1,0,1]=4 647 B8R1.2 C=Cc1ccnnc1 271570a_100011290941_100000732662 [2,0,0,0,0,0|1,0,1]=4 648 B8R1.2 C=Cc1cnccn1 271570a_100011290941_100000758340 [2,0,0,0,0,0|1,0,1]=4 649 B8R1.2 C=Cc1cncnc1 271570a_100011290941_100011206942 [2,0,0,0,0,0|1,0,1]=4 650 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|2,0,0]=4 651 B8R1.2 CNc1cccnn1 27a_100102657272_100016991348 [2,0,0,0,0,0|2,0,0]=4 652 B8R1.2 CNc1cnccn1 27a_100102657272_100000211759 [2,0,0,0,0,0|2,0,0]=4 653 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|1,0,0]=3 654 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|1,0,0]=3 655 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [2,0,0,0,0,0|0,0,0]=2 656 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [2,0,0,0,0,0|0,0,0]=2 657 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [2,0,0,0,0,0|2,0,0]=4 658 B8R1.2 COc1ccnnc1 34a_100015204005_200000210301 [2,0,0,0,0,0|1,0,0]=3 659 B8R1.2 COc1cncnc1 7a_100000754086_200000210301 [2,0,0,0,0,0|1,0,0]=3 660 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|1,1,0]=4 661 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|1,1,0]=4 662 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [2,0,0,0,0,0|0,1,0]=3 663 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [2,0,0,0,0,0|0,1,0]=3 664 B8R1.2 CSc1cccnn1 62a_100016991348_200000210301 [2,0,0,0,0,0|1,1,0]=4 665 B8R1.2 CSc1cccnn1 62a_200000210301_100016991348 [2,0,0,0,0,0|1,1,0]=4 666 B8R1.2 CSc1ccnnc1 62a_100000732662_200000210301 [2,0,0,0,0,0|1,1,0]=4 667 B8R1.2 CSc1ccnnc1 62a_200000210301_100000732662 [2,0,0,0,0,0|1,1,0]=4 668 B8R1.2 CSc1cnccn1 62a_100000211759_200000210301 [2,0,0,0,0,0|1,1,0]=4 669 B8R1.2 CSc1cnccn1 62a_200000210301_100000211759 [2,0,0,0,0,0|1,1,0]=4 670 B8R1.2 CSc1cncnc1 62a_100011206942_200000210301 [2,0,0,0,0,0|1,1,0]=4 671 B8R1.2 CSc1cncnc1 62a_200000210301_100011206942 [2,0,0,0,0,0|1,1,0]=4 672 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|2,0,0]=4 673 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|1,0,0]=3 674 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|1,0,0]=3 675 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [2,0,0,0,0,0|0,0,0]=2 676 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [2,0,0,0,0,0|0,0,0]=2 677 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [2,0,0,0,0,0|2,0,0]=4 678 B8R1.2 [13CH3]Oc1ccnnc1 34a_100015204005_200025704644 [2,0,0,0,0,0|1,0,0]=3 679 B8R1.2 [13CH3]Oc1cncnc1 7a_100000754086_200025704644 [2,0,0,0,0,0|1,0,0]=3 680 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|1,1,0]=4 681 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|1,1,0]=4 682 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [2,0,0,0,0,0|0,1,0]=3 683 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [2,0,0,0,0,0|0,1,0]=3 684 B8R1.2 [13CH3]Sc1cccnn1 62a_100016991348_200025704644 [2,0,0,0,0,0|1,1,0]=4 685 B8R1.2 [13CH3]Sc1cccnn1 62a_200025704644_100016991348 [2,0,0,0,0,0|1,1,0]=4 686 B8R1.2 [13CH3]Sc1ccnnc1 62a_100000732662_200025704644 [2,0,0,0,0,0|1,1,0]=4 687 B8R1.2 [13CH3]Sc1ccnnc1 62a_200025704644_100000732662 [2,0,0,0,0,0|1,1,0]=4 688 B8R1.2 [13CH3]Sc1cnccn1 62a_100000211759_200025704644 [2,0,0,0,0,0|1,1,0]=4 689 B8R1.2 [13CH3]Sc1cnccn1 62a_200025704644_100000211759 [2,0,0,0,0,0|1,1,0]=4 690 B8R1.2 [13CH3]Sc1cncnc1 62a_100011206942_200025704644 [2,0,0,0,0,0|1,1,0]=4 691 B8R1.2 [13CH3]Sc1cncnc1 62a_200025704644_100011206942 [2,0,0,0,0,0|1,1,0]=4 692 B10R0.83 C=CCOCC(=C)C(=O)OC 34a_200000210373_100009813391 [0,1,1,0,0,0|1,0,1]=4 693 B10R0.83 C=CCSCC(=C)C(=O)OC 62a_100000210623_100009813391 [0,1,1,0,0,0|1,0,1]=4 694 B10R0.83 C=CCSCC(=C)C(=O)OC 62a_100009813391_100000210623 [0,1,1,0,0,0|1,0,1]=4 695 B10R0.18 C=CC=CC(=O)CC(=O)OC 1458a_100016291481_100000747449 [0,1,1,0,0,0|1,0,1]=4 696 B10R0.74 C=CCNC/C=C/C(=O)OC 2230a_100020586998_100000742655 [0,1,1,0,0,0|0,0,2]=4 697 B10R0.74 C=CCOC/C=C/C(=O)OC 34a_200000210373_100000742655 [0,1,1,0,0,0|1,0,1]=4 698 B10R0.74 C=CCSC/C=C/C(=O)OC 62a_100000210623_100000742655 [0,1,1,0,0,0|1,0,1]=4 699 B10R0.74 C=CCSC/C=C/C(=O)OC 62a_100000742655_100000210623 [0,1,1,0,0,0|1,0,1]=4 700 B10R1.13 C=C(C)c1ccc(=O)[nH]c1 271570a_100000694244_100000212171 [1,1,0,0,0,0|1,0,1]=4 701 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [1,1,0,0,0,0|2,0,0]=4 702 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [1,1,0,0,0,0|2,0,0]=4 704 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [1,1,0,0,0,0|2,0,0]=4 705 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [1,1,0,0,0,0|2,0,0]=4 706 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [1,1,0,0,0,0|2,0,0]=4 707 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [1,1,0,0,0,0|2,0,0]=4 708 B10R1.13 C=C(C)c1ccc(nc1)Br 271570a_100000694244_100009814638 [1,1,0,0,0,0|1,0,0]=3 709 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [1,1,0,0,0,0|1,0,0]=3 710 B10R1.13 C=C(C)c1ccc(nc1)Cl 271570a_100000694244_100000034144 [1,1,0,0,0,0|1,0,0]=3 711 B10R1.13 C=C(C)c1ccc(nc1)F 271570a_100000694244_100000748661 [1,1,0,0,0,0|1,0,0]=3 712 B10R1.13 C=C(C)c1ccc(nc1)N 271570a_100000694244_100000187370 [1,1,0,0,0,0|1,0,0]=3 713 B10R1.13 C=C(C)c1ccc(nn1)C 271570a_100000694244_100011450037 [1,1,0,0,0,0|2,0,0]=4 714 B10R1.13 C=C(C)c1ccc(nn1)N 271570a_100000694244_100009816609 [1,1,0,0,0,0|2,0,0]=4 715 B10R1.13 C=C(C)c1cnc(=O)[nH]c1 271570a_100000694244_102495366499 [1,1,0,0,0,0|2,0,0]=4 716 B10R1.13 C=C(C)c1cnc(cn1)C 271570a_100000694244_100011999403 [1,1,0,0,0,0|2,0,0]=4 717 B10R1.13 C=C(C)c1cnc(cn1)F 271570a_100000694244_100009856528 [1,1,0,0,0,0|2,0,0]=4 718 B10R1.13 C=C(C)c1cnc(cn1)N 271570a_100000694244_100000761932 [1,1,0,0,0,0|2,0,0]=4 719 B10R1.13 C=C(C)c1cnc(nc1)Br 271570a_100000694244_200012349914 [1,1,0,0,0,0|2,0,0]=4 720 B10R1.13 C=C(C)c1cnc(nc1)C 271570a_100000694244_100000686985 [1,1,0,0,0,0|2,0,0]=4 721 B10R1.13 C=C(C)c1cnc(nc1)F 271570a_100000694244_100000685262 [1,1,0,0,0,0|2,0,0]=4 722 B10R1.13 C=C(C)c1cnc(nc1)N 271570a_100000694244_100000760574 [1,1,0,0,0,0|2,0,0]=4 723 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,1,0,0,0,0|1,0,0]=3 724 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,1,0,0,0,0|1,0,0]=3 725 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,1,0,0,0,0|1,0,0]=3 726 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,1,0,0,0,0|1,0,0]=3 727 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,1,0,0,0,0|1,0,0]=3 728 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,1,0,0,0,0|1,0,0]=3 729 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,1,0,0,0,0|1,0,0]=3 730 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,1,0,0,0,0|0,0,0]=2 732 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [1,1,0,0,0,0|1,0,0]=3 733 B10R1.13 CC(=O)c1cnc(nc1)O 271570a_203496583355_100000099681 [1,1,0,0,0,0|1,0,0]=3 734 B10R1.13 CC(C)c1ccc(nc1)O 271570a_203496583355_200009815286 [1,1,0,0,0,0|1,0,1]=4 735 B10R1.13 CC(O)c1ccc(nc1)O 271570a_203496583355_200010274204 [1,1,0,0,0,0|0,0,2]=4 736 B10R1.13 CN(C)c1ccc(nc1)O 271570a_203496583355_100009992925 [1,1,0,0,0,0|2,0,0]=4 737 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [1,1,0,0,0,0|2,0,0]=4 738 B10R1.13 C[C@H](N)c1ccc(nc1)O 271570a_203496583355_100015387476 [1,1,0,0,0,0|1,0,1]=4 739 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,1,0,0,0,0|1,0,0]=3 740 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [1,1,0,0,0,0|2,0,0]=4 741 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [1,1,0,0,0,0|1,0,0]=3 742 B10R1.13 NC(=O)c1ccc(nn1)O 271570a_203496583355_100000761398 [1,1,0,0,0,0|2,0,0]=4 743 B10R1.13 NC(=O)c1cnc(cn1)O 271570a_203496583355_100000738300 [1,1,0,0,0,0|2,0,0]=4 744 B10R1.13 OB(O)c1ccc(nc1)O 271570a_203496583355_100000688115 [1,1,0,0,0,0|1,0,1]=4 745 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,1,0,0,0,0|1,0,0]=3 746 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,1,0,0,0,0|1,0,0]=3 747 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,1,0,0,0,0|1,0,0]=3 748 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,1,0,0,0,0|1,0,0]=3 749 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,1,0,0,0,0|1,0,0]=3 750 B10R1.61 C=C(C)c1c[nH]ccc1=O 271570a_100000694244_100009998708 [1,1,0,0,0,0|1,0,1]=4 751 B10R1.61 C=C(C)c1c[nH]ccc1=S 271570a_100000694244_200012280681 [1,1,0,0,0,0|1,0,1]=4 752 B10R1.61 C=C(C)c1ccc[nH]c1=O 271570a_100000694244_100000050042 [1,1,0,0,0,0|1,0,1]=4 753 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [1,1,0,0,0,0|2,0,0]=4 754 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [1,1,0,0,0,0|2,0,0]=4 755 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [1,1,0,0,0,0|2,0,0]=4 756 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [1,1,0,0,0,0|2,0,0]=4 757 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [1,1,0,0,0,0|2,0,0]=4 758 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [1,1,0,0,0,0|2,0,0]=4 759 B10R1.61 C=C(C)c1cccnc1Br 271570a_100000694244_100010202626 [1,1,0,0,0,0|1,0,0]=3 760 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [1,1,0,0,0,0|1,0,0]=3 761 B10R1.61 C=C(C)c1cccnc1Cl 271570a_100000694244_100000036424 [1,1,0,0,0,0|1,0,0]=3 762 B10R1.61 C=C(C)c1cccnc1F 271570a_100000694244_100009816115 [1,1,0,0,0,0|1,0,0]=3 763 B10R1.61 C=C(C)c1cccnc1N 271570a_100000694244_100000045569 [1,1,0,0,0,0|1,0,0]=3 764 B10R1.61 C=C(C)c1cnccc1Br 271570a_100000694244_100010138639 [1,1,0,0,0,0|1,0,0]=3 765 B10R1.61 C=C(C)c1cnccc1C 271570a_100000694244_100000761580 [1,1,0,0,0,0|1,0,0]=3 766 B10R1.61 C=C(C)c1cnccc1Cl 271570a_100000694244_100009995489 [1,1,0,0,0,0|1,0,0]=3 767 B10R1.61 C=C(C)c1cnccc1F 271570a_100000694244_100009820683 [1,1,0,0,0,0|1,0,0]=3 768 B10R1.61 C=C(C)c1cnccc1N 271570a_100000694244_100000047001 [1,1,0,0,0,0|1,0,0]=3 769 B10R1.61 C=C(C)c1cncnc1Br 271570a_100000694244_200012461658 [1,1,0,0,0,0|2,0,0]=4 770 B10R1.61 C=C(C)c1cncnc1C 271570a_100000694244_100009819671 [1,1,0,0,0,0|2,0,0]=4 771 B10R1.61 C=C(C)c1cncnc1Cl 271570a_100000694244_100000758962 [1,1,0,0,0,0|2,0,0]=4 772 B10R1.61 C=C(C)c1cncnc1N 271570a_100000694244_100011996079 [1,1,0,0,0,0|2,0,0]=4 773 B10R1.61 C=C(C)c1cncnc1O 271570a_100000694244_100000751107 [1,1,0,0,0,0|2,0,0]=4 774 B10R1.61 C=C(C)c1cnncc1N 271570a_100000694244_100009829405 [1,1,0,0,0,0|2,0,0]=4 775 B10R1.61 C=C(C)c1nccnc1C 271570a_100000694244_100011999405 [1,1,0,0,0,0|2,0,0]=4 776 B10R1.61 C=C(C)c1nccnc1F 271570a_100000694244_200010125657 [1,1,0,0,0,0|2,0,0]=4 777 B10R1.61 C=C(C)c1nccnc1N 271570a_100000694244_100000747729 [1,1,0,0,0,0|2,0,0]=4 778 B10R1.61 C=C(C)c1nnccc1C 271570a_100000694244_100000089043 [1,1,0,0,0,0|2,0,0]=4 779 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [1,1,0,0,0,0|1,0,0]=3 780 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [1,1,0,0,0,0|1,0,0]=3 781 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [1,1,0,0,0,0|1,0,0]=3 782 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [1,1,0,0,0,0|1,0,0]=3 783 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [1,1,0,0,0,0|1,0,0]=3 784 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [1,1,0,0,0,0|1,0,0]=3 785 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [1,1,0,0,0,0|1,0,0]=3 786 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [1,1,0,0,0,0|1,0,0]=3 787 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [1,1,0,0,0,0|0,0,0]=2 788 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [1,1,0,0,0,0|2,0,0]=4 789 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [1,1,0,0,0,0|0,0,0]=2 790 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [1,1,0,0,0,0|2,0,0]=4 791 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [1,1,0,0,0,0|1,0,0]=3 792 B10R1.61 CC(C)c1cccnc1O 271570a_203496583355_200010382935 [1,1,0,0,0,0|1,0,1]=4 793 B10R1.61 CC(O)c1cccnc1O 271570a_203496583355_100009865335 [1,1,0,0,0,0|0,0,2]=4 794 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [1,1,0,0,0,0|2,0,0]=4 795 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [1,1,0,0,0,0|1,0,0]=3 796 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [1,1,0,0,0,0|2,0,0]=4 797 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [1,1,0,0,0,0|1,0,0]=3 798 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [1,1,0,0,0,0|1,0,0]=3 799 B10R1.61 NC(=O)c1nccnc1O 271570a_203496583355_100000094861 [1,1,0,0,0,0|2,0,0]=4 800 B10R1.61 OB(O)c1cccnc1O 271570a_203496583355_100009815992 [1,1,0,0,0,0|1,0,1]=4 801 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [1,1,0,0,0,0|1,0,0]=3 802 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [1,1,0,0,0,0|1,0,0]=3 803 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [1,1,0,0,0,0|1,0,0]=3 804 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [1,1,0,0,0,0|1,0,0]=3 805 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [1,1,0,0,0,0|1,0,0]=3 806 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [1,1,0,0,0,0|1,0,0]=3 807 B10R1.113 C=C(C)c1cc(cnn1)C 271570a_100000694244_100000070100 [1,1,0,0,0,0|2,0,0]=4 808 B10R1.113 C=C(C)c1cc(cnn1)O 271570a_100000694244_200010734679 [1,1,0,0,0,0|2,0,0]=4 809 B10R1.113 C=C(C)c1ccc[n+](c1)C 271570a_100000694244_100009996589 [1,1,0,0,0,0|1,0,1]=4 810 B10R1.113 C=C(C)c1ccc[n+](c1)[O-] 271570a_100000694244_100009815978 [1,1,0,0,0,0|1,0,1]=4 811 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [1,1,0,0,0,0|2,0,0]=4 812 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [1,1,0,0,0,0|2,0,0]=4 813 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [1,1,0,0,0,0|2,0,0]=4 814 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [1,1,0,0,0,0|2,0,0]=4 815 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [1,1,0,0,0,0|2,0,0]=4 816 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [1,1,0,0,0,0|2,0,0]=4 817 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [1,1,0,0,0,0|2,0,0]=4 818 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [1,1,0,0,0,0|2,0,0]=4 819 B10R1.113 C=C(C)c1cn[nH]c(=O)c1 271570a_100000694244_100010197405 [1,1,0,0,0,0|2,0,0]=4 820 B10R1.113 C=C(C)c1cncc(c1)Br 271570a_100000694244_100000728054 [1,1,0,0,0,0|1,0,0]=3 821 B10R1.113 C=C(C)c1cncc(c1)C 271570a_100000694244_100000760492 [1,1,0,0,0,0|1,0,0]=3 822 B10R1.113 C=C(C)c1cncc(c1)Cl 271570a_100000694244_100000049639 [1,1,0,0,0,0|1,0,0]=3 823 B10R1.113 C=C(C)c1cncc(c1)F 271570a_100000694244_100000744099 [1,1,0,0,0,0|1,0,0]=3 824 B10R1.113 C=C(C)c1cncc(c1)N 271570a_100000694244_100000687067 [1,1,0,0,0,0|1,0,0]=3 825 B10R1.113 C=C(C)c1cncc(c1)O 271570a_100000694244_100000754920 [1,1,0,0,0,0|1,0,0]=3 826 B10R1.113 C=C(C)c1cncc(c1)O 271570a_203496583355_200009889500 [1,1,0,0,0,0|1,0,0]=3 827 B10R1.113 C=C(C)c1cncc(n1)C 271570a_100000694244_100009842155 [1,1,0,0,0,0|2,0,0]=4 828 B10R1.113 C=C(C)c1cncc(n1)F 271570a_100000694244_200009863489 [1,1,0,0,0,0|2,0,0]=4 829 B10R1.113 C=C(C)c1cncc(n1)N 271570a_100000694244_100009819714 [1,1,0,0,0,0|2,0,0]=4 830 B10R1.113 C=C(C)c1cncc(n1)O 271570a_100000694244_100011269956 [1,1,0,0,0,0|2,0,0]=4 831 B10R1.113 C=C(C)c1cnnc(c1)N 271570a_100000694244_100000130277 [1,1,0,0,0,0|2,0,0]=4 832 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [1,1,0,0,0,0|2,0,0]=4 833 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [1,1,0,0,0,0|1,0,0]=3 834 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [1,1,0,0,0,0|1,0,0]=3 835 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [1,1,0,0,0,0|1,0,0]=3 836 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [1,1,0,0,0,0|1,0,0]=3 837 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [1,1,0,0,0,0|1,0,0]=3 838 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [1,1,0,0,0,0|1,0,0]=3 839 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [1,1,0,0,0,0|1,0,0]=3 840 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [1,1,0,0,0,0|2,0,0]=4 841 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [1,1,0,0,0,0|2,0,0]=4 842 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [1,1,0,0,0,0|0,0,0]=2 843 B10R1.113 CC(C)c1cncc(c1)O 271570a_203496583355_200010191214 [1,1,0,0,0,0|1,0,1]=4 844 B10R1.113 CC(O)c1cncc(c1)O 271570a_203496583355_100012351597 [1,1,0,0,0,0|0,0,2]=4 845 B10R1.113 CN(C)c1cncc(c1)O 271570a_203496583355_100012350714 [1,1,0,0,0,0|2,0,0]=4 846 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [1,1,0,0,0,0|2,0,0]=4 847 B10R1.113 C[C@@H](N)c1cncc(c1)O 271570a_203496583355_100012350620 [1,1,0,0,0,0|1,0,1]=4 848 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [1,1,0,0,0,0|1,0,0]=3 849 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [1,1,0,0,0,0|2,0,0]=4 850 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [1,1,0,0,0,0|1,0,0]=3 851 B10R1.113 NC(=O)c1cncc(n1)O 271570a_203496583355_100000764846 [1,1,0,0,0,0|2,0,0]=4 852 B10R1.113 NC(=O)c1cnnc(c1)O 271570a_203496583355_100015785749 [1,1,0,0,0,0|2,0,0]=4 853 B10R1.113 OB(O)c1cncc(c1)O 271570a_203496583355_200009814628 [1,1,0,0,0,0|1,0,1]=4 854 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [1,1,0,0,0,0|1,0,0]=3 855 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [1,1,0,0,0,0|1,0,0]=3 856 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [1,1,0,0,0,0|1,0,0]=3 857 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [1,1,0,0,0,0|1,0,0]=3 858 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [1,1,0,0,0,0|1,0,0]=3 859 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [1,1,0,0,0,0|2,0,0]=4 860 B10R1.1 C=C=Cc1ccc(nc1)Br 271570a_100015277604_100009814638 [1,1,0,0,0,0|1,0,1]=4 861 B10R1.1 C=C=Cc1ccc(nc1)C 271570a_100015277604_100000751577 [1,1,0,0,0,0|1,0,1]=4 862 B10R1.1 C=C=Cc1ccc(nc1)Cl 271570a_100015277604_100000034144 [1,1,0,0,0,0|1,0,1]=4 863 B10R1.1 C=C=Cc1ccc(nc1)F 271570a_100015277604_100000748661 [1,1,0,0,0,0|1,0,1]=4 864 B10R1.1 C=C=Cc1ccc(nc1)N 271570a_100015277604_100000187370 [1,1,0,0,0,0|1,0,1]=4 865 B10R1.1 CC=Cc1ccc(=O)[nH]c1 271570a_100016259895_100000212171 [1,1,0,0,0,0|1,0,1]=4 866 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [1,1,0,0,0,0|2,0,0]=4 867 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [1,1,0,0,0,0|2,0,0]=4 868 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [1,1,0,0,0,0|2,0,0]=4 869 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [1,1,0,0,0,0|2,0,0]=4 870 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [1,1,0,0,0,0|2,0,0]=4 871 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [1,1,0,0,0,0|2,0,0]=4 872 B10R1.1 CC=Cc1ccc(nc1)Br 271570a_100016259895_100009814638 [1,1,0,0,0,0|1,0,0]=3 873 B10R1.1 CC=Cc1ccc(nc1)C 271570a_100016259895_100000751577 [1,1,0,0,0,0|1,0,0]=3 874 B10R1.1 CC=Cc1ccc(nc1)Cl 271570a_100016259895_100000034144 [1,1,0,0,0,0|1,0,0]=3 875 B10R1.1 CC=Cc1ccc(nc1)F 271570a_100016259895_100000748661 [1,1,0,0,0,0|1,0,0]=3 876 B10R1.1 CC=Cc1ccc(nc1)N 271570a_100016259895_100000187370 [1,1,0,0,0,0|1,0,0]=3 877 B10R1.1 CC=Cc1ccc(nn1)C 271570a_100016259895_100011450037 [1,1,0,0,0,0|2,0,0]=4 878 B10R1.1 CC=Cc1ccc(nn1)N 271570a_100016259895_100009816609 [1,1,0,0,0,0|2,0,0]=4 879 B10R1.1 CC=Cc1cnc(=O)[nH]c1 271570a_100016259895_102495366499 [1,1,0,0,0,0|2,0,0]=4 880 B10R1.1 CC=Cc1cnc(cn1)C 271570a_100016259895_100011999403 [1,1,0,0,0,0|2,0,0]=4 881 B10R1.1 CC=Cc1cnc(cn1)F 271570a_100016259895_100009856528 [1,1,0,0,0,0|2,0,0]=4 882 B10R1.1 CC=Cc1cnc(cn1)N 271570a_100016259895_100000761932 [1,1,0,0,0,0|2,0,0]=4 883 B10R1.1 CC=Cc1cnc(nc1)Br 271570a_100016259895_200012349914 [1,1,0,0,0,0|2,0,0]=4 884 B10R1.1 CC=Cc1cnc(nc1)C 271570a_100016259895_100000686985 [1,1,0,0,0,0|2,0,0]=4 885 B10R1.1 CC=Cc1cnc(nc1)F 271570a_100016259895_100000685262 [1,1,0,0,0,0|2,0,0]=4 886 B10R1.1 CC=Cc1cnc(nc1)N 271570a_100016259895_100000760574 [1,1,0,0,0,0|2,0,0]=4 887 B10R1.1 CCOc1ccc(nc1)Br 34a_100000685995_100000210202 [1,1,0,0,0,0|2,0,0]=4 888 B10R1.1 CCOc1ccc(nc1)Br 7a_100000685995_100000210202 [1,1,0,0,0,0|2,0,0]=4 889 B10R1.1 CCOc1ccc(nc1)C 34a_100000745506_100000210202 [1,1,0,0,0,0|2,0,0]=4 890 B10R1.1 CCOc1ccc(nc1)C 7a_100000745506_100000210202 [1,1,0,0,0,0|2,0,0]=4 891 B10R1.1 CCOc1ccc(nc1)Cl 34a_100000744096_100000210202 [1,1,0,0,0,0|2,0,0]=4 892 B10R1.1 CCOc1ccc(nc1)Cl 7a_100000744096_100000210202 [1,1,0,0,0,0|2,0,0]=4 893 B10R1.1 CCOc1ccc(nc1)F 34a_100000688820_100000210202 [1,1,0,0,0,0|2,0,0]=4 894 B10R1.1 CCOc1ccc(nc1)F 7a_100000688820_100000210202 [1,1,0,0,0,0|2,0,0]=4 895 B10R1.1 CCOc1ccc(nc1)I 34a_100000687607_100000210202 [1,1,0,0,0,0|2,0,0]=4 896 B10R1.1 CCOc1ccc(nc1)I 7a_100000687607_100000210202 [1,1,0,0,0,0|2,0,0]=4 897 B10R1.1 CCOc1ccc(nc1)N 34a_100015188713_100000210202 [1,1,0,0,0,0|2,0,0]=4 898 B10R1.1 CCOc1ccc(nc1)N 7a_100015188713_100000210202 [1,1,0,0,0,0|2,0,0]=4 899 B10R1.1 CCOc1ccc(nc1)O 271570a_203496583355_100000753957 [1,1,0,0,0,0|2,0,0]=4 900 B10R1.1 CCSc1ccc(nc1)Br 62a_100000210202_100009814638 [1,1,0,0,0,0|2,0,0]=4 901 B10R1.1 CCSc1ccc(nc1)Br 62a_100009814638_100000210202 [1,1,0,0,0,0|2,0,0]=4 902 B10R1.1 CCSc1ccc(nc1)C 62a_100000210202_100000751577 [1,1,0,0,0,0|2,0,0]=4 903 B10R1.1 CCSc1ccc(nc1)C 62a_100000751577_100000210202 [1,1,0,0,0,0|2,0,0]=4 904 B10R1.1 CCSc1ccc(nc1)Cl 62a_100000034144_100000210202 [1,1,0,0,0,0|2,0,0]=4 905 B10R1.1 CCSc1ccc(nc1)Cl 62a_100000210202_100000034144 [1,1,0,0,0,0|2,0,0]=4 906 B10R1.1 CCSc1ccc(nc1)F 62a_100000042367_100000210202 [1,1,0,0,0,0|2,0,0]=4 907 B10R1.1 CCSc1ccc(nc1)F 62a_100000210202_100000042367 [1,1,0,0,0,0|2,0,0]=4 908 B10R1.1 CCSc1ccc(nc1)N 62a_100000187370_100000210202 [1,1,0,0,0,0|2,0,0]=4 909 B10R1.1 CCSc1ccc(nc1)N 62a_100000210202_100000187370 [1,1,0,0,0,0|2,0,0]=4 910 B10R1.1 CNCc1ccc(nc1)Br 2230a_100009817727_200000210301 [1,1,0,0,0,0|1,0,1]=4 911 B10R1.1 CNCc1ccc(nc1)Br 2230a_106832991635_100009831999 [1,1,0,0,0,0|1,0,1]=4 912 B10R1.1 CNCc1ccc(nc1)Br 34a_100009817727_200000210301 [1,1,0,0,0,0|1,0,1]=4 913 B10R1.1 CNCc1ccc(nc1)Br 34a_100102657272_100009831999 [1,1,0,0,0,0|1,0,1]=4 914 B10R1.1 CNCc1ccc(nc1)Br 7a_106832991635_100009831999 [1,1,0,0,0,0|1,0,1]=4 915 B10R1.1 CNCc1ccc(nc1)C 2230a_106832991635_100016987292 [1,1,0,0,0,0|1,0,1]=4 916 B10R1.1 CNCc1ccc(nc1)C 270004a_106832991635_100000743784 [1,1,0,0,0,0|1,0,1]=4 917 B10R1.1 CNCc1ccc(nc1)C 34a_100000740942_200000210301 [1,1,0,0,0,0|1,0,1]=4 918 B10R1.1 CNCc1ccc(nc1)C 34a_100102657272_100016987292 [1,1,0,0,0,0|1,0,1]=4 919 B10R1.1 CNCc1ccc(nc1)C 7a_106832991635_100016987292 [1,1,0,0,0,0|1,0,1]=4 920 B10R1.1 CNCc1ccc(nc1)Cl 2230a_100000735879_200000210301 [1,1,0,0,0,0|1,0,1]=4 921 B10R1.1 CNCc1ccc(nc1)Cl 2230a_106832991635_100000735431 [1,1,0,0,0,0|1,0,1]=4 922 B10R1.1 CNCc1ccc(nc1)Cl 34a_100000735879_200000210301 [1,1,0,0,0,0|1,0,1]=4 923 B10R1.1 CNCc1ccc(nc1)Cl 34a_100102657272_100000735431 [1,1,0,0,0,0|1,0,1]=4 924 B10R1.1 CNCc1ccc(nc1)Cl 7a_106832991635_100000735431 [1,1,0,0,0,0|1,0,1]=4 925 B10R1.1 CNCc1ccc(nc1)F 2230a_100000101913_200000210301 [1,1,0,0,0,0|1,0,1]=4 926 B10R1.1 CNCc1ccc(nc1)F 2230a_106832991635_100009820150 [1,1,0,0,0,0|1,0,1]=4 927 B10R1.1 CNCc1ccc(nc1)F 34a_100000101913_200000210301 [1,1,0,0,0,0|1,0,1]=4 928 B10R1.1 CNCc1ccc(nc1)F 34a_100102657272_100000099788 [1,1,0,0,0,0|1,0,1]=4 929 B10R1.1 CNCc1ccc(nc1)F 7a_106832991635_100009820150 [1,1,0,0,0,0|1,0,1]=4 930 B10R1.1 CNCc1ccc(nc1)O 207a_100102657272_100011361521 [1,1,0,0,0,0|1,0,1]=4 931 B10R1.1 CNCc1ccc(nc1)O 2230a_100000757128_200000210301 [1,1,0,0,0,0|1,0,1]=4 932 B10R1.1 CNCc1ccc(nc1)O 271570a_203496583355_100000026953 [1,1,0,0,0,0|1,0,1]=4 933 B10R1.1 COCc1ccc(=O)[nH]c1 34a_100011999846_200000210301 [1,1,0,0,0,0|0,0,2]=4 934 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [1,1,0,0,0,0|1,0,1]=4 935 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [1,1,0,0,0,0|1,0,1]=4 936 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [1,1,0,0,0,0|1,0,1]=4 937 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [1,1,0,0,0,0|1,0,1]=4 938 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [1,1,0,0,0,0|1,0,1]=4 939 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [1,1,0,0,0,0|1,0,1]=4 940 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [1,1,0,0,0,0|1,0,1]=4 941 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [1,1,0,0,0,0|1,0,1]=4 942 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [1,1,0,0,0,0|1,0,1]=4 943 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [1,1,0,0,0,0|1,0,1]=4 944 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [1,1,0,0,0,0|1,0,1]=4 945 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [1,1,0,0,0,0|1,0,1]=4 946 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [1,1,0,0,0,0|1,0,1]=4 947 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [1,1,0,0,0,0|1,0,1]=4 948 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [1,1,0,0,0,0|1,0,1]=4 949 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [1,1,0,0,0,0|1,0,1]=4 950 B10R1.1 COCc1ccc(nc1)Br 34a_100009816760_200000210301 [1,1,0,0,0,0|0,0,1]=3 951 B10R1.1 COCc1ccc(nc1)Br 34a_100138415774_100009831999 [1,1,0,0,0,0|0,0,1]=3 952 B10R1.1 COCc1ccc(nc1)Br 7a_100009816760_200000210301 [1,1,0,0,0,0|0,0,1]=3 953 B10R1.1 COCc1ccc(nc1)C 34a_100011248133_200000210301 [1,1,0,0,0,0|0,0,1]=3 954 B10R1.1 COCc1ccc(nc1)C 34a_100138415774_100016987292 [1,1,0,0,0,0|0,0,1]=3 955 B10R1.1 COCc1ccc(nc1)Cl 34a_100000755211_200000210301 [1,1,0,0,0,0|0,0,1]=3 956 B10R1.1 COCc1ccc(nc1)Cl 34a_100138415774_100000735431 [1,1,0,0,0,0|0,0,1]=3 957 B10R1.1 COCc1ccc(nc1)Cl 7a_100000755211_200000210301 [1,1,0,0,0,0|0,0,1]=3 958 B10R1.1 COCc1ccc(nc1)F 34a_100000079959_200000210301 [1,1,0,0,0,0|0,0,1]=3 959 B10R1.1 COCc1ccc(nc1)F 34a_100138415774_100000099788 [1,1,0,0,0,0|0,0,1]=3 960 B10R1.1 COCc1ccc(nc1)N 34a_100000704267_200000210301 [1,1,0,0,0,0|0,0,1]=3 961 B10R1.1 COCc1ccc(nn1)Cl 34a_100138415774_100016992710 [1,1,0,0,0,0|1,0,1]=4 962 B10R1.1 COCc1cnc(cn1)C 34a_100011273949_200000210301 [1,1,0,0,0,0|1,0,1]=4 963 B10R1.1 COCc1cnc(cn1)Cl 34a_100012002382_200000210301 [1,1,0,0,0,0|1,0,1]=4 964 B10R1.1 COCc1cnc(nc1)C 34a_100011746891_200000210301 [1,1,0,0,0,0|1,0,1]=4 965 B10R1.1 COCc1cnc(nc1)Cl 34a_100009855073_200000210301 [1,1,0,0,0,0|1,0,1]=4 966 B10R1.1 COCc1cnc(nc1)Cl 7a_100009855073_200000210301 [1,1,0,0,0,0|1,0,1]=4 967 B10R1.1 CSCc1ccc(nc1)Br 62a_100009831999_200000210301 [1,1,0,0,0,0|0,1,1]=4 968 B10R1.1 CSCc1ccc(nc1)Br 62a_200000210301_100009831999 [1,1,0,0,0,0|0,1,1]=4 969 B10R1.1 CSCc1ccc(nc1)C 62a_100016987292_200000210301 [1,1,0,0,0,0|0,1,1]=4 970 B10R1.1 CSCc1ccc(nc1)C 62a_200000210301_100016987292 [1,1,0,0,0,0|0,1,1]=4 971 B10R1.1 CSCc1ccc(nc1)Cl 62a_100000735431_200000210301 [1,1,0,0,0,0|0,1,1]=4 972 B10R1.1 CSCc1ccc(nc1)Cl 62a_200000210301_100000735431 [1,1,0,0,0,0|0,1,1]=4 973 B10R1.1 CSCc1ccc(nc1)F 62a_100009820150_200000210301 [1,1,0,0,0,0|0,1,1]=4 974 B10R1.1 CSCc1ccc(nc1)F 62a_200000210301_100000099788 [1,1,0,0,0,0|0,1,1]=4 975 B10R1.1 CSCc1ccc(nc1)O 271570a_203496583355_100000753673 [1,1,0,0,0,0|0,1,1]=4 976 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [1,1,0,0,0,0|1,0,1]=4 977 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [1,1,0,0,0,0|1,0,1]=4 978 B10R1.1 Cc1ccc(cn1)CN[13CH3] 34a_100000740942_200025704644 [1,1,0,0,0,0|1,0,1]=4 979 B10R1.1 Cc1ccc(cn1)CO[13CH3] 34a_100011248133_200025704644 [1,1,0,0,0,0|0,0,1]=3 980 B10R1.1 Cc1ccc(cn1)CS[13CH3] 62a_100016987292_200025704644 [1,1,0,0,0,0|0,1,1]=4 981 B10R1.1 Cc1ccc(cn1)CS[13CH3] 62a_200025704644_100016987292 [1,1,0,0,0,0|0,1,1]=4 982 B10R1.1 Cc1cnc(cn1)CO[13CH3] 34a_100011273949_200025704644 [1,1,0,0,0,0|1,0,1]=4 983 B10R1.1 Cc1ncc(cn1)CO[13CH3] 34a_100011746891_200025704644 [1,1,0,0,0,0|1,0,1]=4 984 B10R1.1 [13CH3]NCc1ccc(nc1)Br 2230a_100009817727_200025704644 [1,1,0,0,0,0|1,0,1]=4 985 B10R1.1 [13CH3]NCc1ccc(nc1)Br 34a_100009817727_200025704644 [1,1,0,0,0,0|1,0,1]=4 986 B10R1.1 [13CH3]NCc1ccc(nc1)Cl 2230a_100000735879_200025704644 [1,1,0,0,0,0|1,0,1]=4 987 B10R1.1 [13CH3]NCc1ccc(nc1)Cl 34a_100000735879_200025704644 [1,1,0,0,0,0|1,0,1]=4 988 B10R1.1 [13CH3]NCc1ccc(nc1)F 2230a_100000101913_200025704644 [1,1,0,0,0,0|1,0,1]=4 989 B10R1.1 [13CH3]NCc1ccc(nc1)F 34a_100000101913_200025704644 [1,1,0,0,0,0|1,0,1]=4 990 B10R1.1 [13CH3]NCc1ccc(nc1)O 2230a_100000757128_200025704644 [1,1,0,0,0,0|1,0,1]=4 991 B10R1.1 [13CH3]OCc1ccc(=O)[nH]c1 34a_100011999846_200025704644 [1,1,0,0,0,0|0,0,2]=4 992 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [1,1,0,0,0,0|1,0,1]=4 993 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [1,1,0,0,0,0|1,0,1]=4 994 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [1,1,0,0,0,0|1,0,1]=4 995 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [1,1,0,0,0,0|1,0,1]=4 996 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [1,1,0,0,0,0|1,0,1]=4 997 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [1,1,0,0,0,0|1,0,1]=4 998 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [1,1,0,0,0,0|1,0,1]=4 999 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [1,1,0,0,0,0|1,0,1]=4 1000 B10R1.1 [13CH3]OCc1ccc(nc1)Br 34a_100009816760_200025704644 [1,1,0,0,0,0|0,0,1]=3 1001 B10R1.1 [13CH3]OCc1ccc(nc1)Br 7a_100009816760_200025704644 [1,1,0,0,0,0|0,0,1]=3 1002 B10R1.1 [13CH3]OCc1ccc(nc1)Cl 34a_100000755211_200025704644 [1,1,0,0,0,0|0,0,1]=3 1003 B10R1.1 [13CH3]OCc1ccc(nc1)Cl 7a_100000755211_200025704644 [1,1,0,0,0,0|0,0,1]=3 1004 B10R1.1 [13CH3]OCc1ccc(nc1)F 34a_100000079959_200025704644 [1,1,0,0,0,0|0,0,1]=3 1005 B10R1.1 [13CH3]OCc1ccc(nc1)N 34a_100000704267_200025704644 [1,1,0,0,0,0|0,0,1]=3 1006 B10R1.1 [13CH3]OCc1cnc(cn1)Cl 34a_100012002382_200025704644 [1,1,0,0,0,0|1,0,1]=4 1007 B10R1.1 [13CH3]OCc1cnc(nc1)Cl 34a_100009855073_200025704644 [1,1,0,0,0,0|1,0,1]=4 1008 B10R1.1 [13CH3]OCc1cnc(nc1)Cl 7a_100009855073_200025704644 [1,1,0,0,0,0|1,0,1]=4 1009 B10R1.1 [13CH3]SCc1ccc(nc1)Br 62a_100009831999_200025704644 [1,1,0,0,0,0|0,1,1]=4 1010 B10R1.1 [13CH3]SCc1ccc(nc1)Br 62a_200025704644_100009831999 [1,1,0,0,0,0|0,1,1]=4 1011 B10R1.1 [13CH3]SCc1ccc(nc1)Cl 62a_100000735431_200025704644 [1,1,0,0,0,0|0,1,1]=4 1012 B10R1.1 [13CH3]SCc1ccc(nc1)Cl 62a_200025704644_100000735431 [1,1,0,0,0,0|0,1,1]=4 1013 B10R1.1 [13CH3]SCc1ccc(nc1)F 62a_100009820150_200025704644 [1,1,0,0,0,0|0,1,1]=4 1014 B10R1.1 [13CH3]SCc1ccc(nc1)F 62a_200025704644_100000099788 [1,1,0,0,0,0|0,1,1]=4 1015 B10R1.4 C=C=Cc1cccnc1Br 271570a_100015277604_100010202626 [1,1,0,0,0,0|1,0,1]=4 1016 B10R1.4 C=C=Cc1cccnc1C 271570a_100015277604_100000751574 [1,1,0,0,0,0|1,0,1]=4 1017 B10R1.4 C=C=Cc1cccnc1Cl 271570a_100015277604_100000036424 [1,1,0,0,0,0|1,0,1]=4 1018 B10R1.4 C=C=Cc1cccnc1F 271570a_100015277604_100009816115 [1,1,0,0,0,0|1,0,1]=4 1019 B10R1.4 C=C=Cc1cccnc1N 271570a_100015277604_100000045569 [1,1,0,0,0,0|1,0,1]=4 1020 B10R1.4 C=C=Cc1cnccc1Br 271570a_100015277604_100010138639 [1,1,0,0,0,0|1,0,1]=4 1021 B10R1.4 C=C=Cc1cnccc1C 271570a_100015277604_100000761580 [1,1,0,0,0,0|1,0,1]=4 1022 B10R1.4 C=C=Cc1cnccc1Cl 271570a_100015277604_100009995489 [1,1,0,0,0,0|1,0,1]=4 1023 B10R1.4 C=C=Cc1cnccc1F 271570a_100015277604_100009820683 [1,1,0,0,0,0|1,0,1]=4 1024 B10R1.4 C=C=Cc1cnccc1N 271570a_100015277604_100000047001 [1,1,0,0,0,0|1,0,1]=4 1025 B10R1.4 CC=Cc1c[nH]ccc1=O 271570a_100016259895_100009998708 [1,1,0,0,0,0|1,0,1]=4 1026 B10R1.4 CC=Cc1c[nH]ccc1=S 271570a_100016259895_200012280681 [1,1,0,0,0,0|1,0,1]=4 1027 B10R1.4 CC=Cc1ccc[nH]c1=O 271570a_100016259895_100000050042 [1,1,0,0,0,0|1,0,1]=4 1028 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,1,0,0,0,0|2,0,0]=4 1029 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,1,0,0,0,0|2,0,0]=4 1030 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,1,0,0,0,0|2,0,0]=4 1031 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,1,0,0,0,0|2,0,0]=4 1032 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,1,0,0,0,0|2,0,0]=4 1033 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,1,0,0,0,0|2,0,0]=4 1034 B10R1.4 CC=Cc1cccnc1Br 271570a_100016259895_100010202626 [1,1,0,0,0,0|1,0,0]=3 1035 B10R1.4 CC=Cc1cccnc1C 271570a_100016259895_100000751574 [1,1,0,0,0,0|1,0,0]=3 1036 B10R1.4 CC=Cc1cccnc1Cl 271570a_100016259895_100000036424 [1,1,0,0,0,0|1,0,0]=3 1037 B10R1.4 CC=Cc1cccnc1F 271570a_100016259895_100009816115 [1,1,0,0,0,0|1,0,0]=3 1038 B10R1.4 CC=Cc1cccnc1N 271570a_100016259895_100000045569 [1,1,0,0,0,0|1,0,0]=3 1039 B10R1.4 CC=Cc1cnccc1Br 271570a_100016259895_100010138639 [1,1,0,0,0,0|1,0,0]=3 1040 B10R1.4 CC=Cc1cnccc1C 271570a_100016259895_100000761580 [1,1,0,0,0,0|1,0,0]=3 1041 B10R1.4 CC=Cc1cnccc1Cl 271570a_100016259895_100009995489 [1,1,0,0,0,0|1,0,0]=3 1042 B10R1.4 CC=Cc1cnccc1F 271570a_100016259895_100009820683 [1,1,0,0,0,0|1,0,0]=3 1043 B10R1.4 CC=Cc1cnccc1N 271570a_100016259895_100000047001 [1,1,0,0,0,0|1,0,0]=3 1044 B10R1.4 CC=Cc1cncnc1Br 271570a_100016259895_200012461658 [1,1,0,0,0,0|2,0,0]=4 1045 B10R1.4 CC=Cc1cncnc1C 271570a_100016259895_100009819671 [1,1,0,0,0,0|2,0,0]=4 1046 B10R1.4 CC=Cc1cncnc1Cl 271570a_100016259895_100000758962 [1,1,0,0,0,0|2,0,0]=4 1047 B10R1.4 CC=Cc1cncnc1N 271570a_100016259895_100011996079 [1,1,0,0,0,0|2,0,0]=4 1048 B10R1.4 CC=Cc1cncnc1O 271570a_100016259895_100000751107 [1,1,0,0,0,0|2,0,0]=4 1049 B10R1.4 CC=Cc1cnncc1N 271570a_100016259895_100009829405 [1,1,0,0,0,0|2,0,0]=4 1050 B10R1.4 CC=Cc1nccnc1C 271570a_100016259895_100011999405 [1,1,0,0,0,0|2,0,0]=4 1051 B10R1.4 CC=Cc1nccnc1F 271570a_100016259895_200010125657 [1,1,0,0,0,0|2,0,0]=4 1052 B10R1.4 CC=Cc1nccnc1N 271570a_100016259895_100000747729 [1,1,0,0,0,0|2,0,0]=4 1053 B10R1.4 CC=Cc1nnccc1C 271570a_100016259895_100000089043 [1,1,0,0,0,0|2,0,0]=4 1054 B10R1.4 CCOc1cccnc1Br 34a_100000744436_100000210202 [1,1,0,0,0,0|2,0,0]=4 1055 B10R1.4 CCOc1cccnc1Br 7a_100000744436_100000210202 [1,1,0,0,0,0|2,0,0]=4 1056 B10R1.4 CCOc1cccnc1C 34a_100000745507_100000210202 [1,1,0,0,0,0|2,0,0]=4 1057 B10R1.4 CCOc1cccnc1C 7a_100000745507_100000210202 [1,1,0,0,0,0|2,0,0]=4 1058 B10R1.4 CCOc1cccnc1Cl 34a_100000757616_100000210202 [1,1,0,0,0,0|2,0,0]=4 1059 B10R1.4 CCOc1cccnc1Cl 7a_100000757616_100000210202 [1,1,0,0,0,0|2,0,0]=4 1060 B10R1.4 CCOc1cccnc1F 34a_100000061740_100000210202 [1,1,0,0,0,0|2,0,0]=4 1061 B10R1.4 CCOc1cccnc1F 7a_100000061740_100000210202 [1,1,0,0,0,0|2,0,0]=4 1062 B10R1.4 CCOc1cccnc1I 34a_100000034122_100000210202 [1,1,0,0,0,0|2,0,0]=4 1063 B10R1.4 CCOc1cccnc1I 7a_100000034122_100000210202 [1,1,0,0,0,0|2,0,0]=4 1064 B10R1.4 CCOc1cccnc1N 34a_100000211975_100000210202 [1,1,0,0,0,0|2,0,0]=4 1065 B10R1.4 CCOc1cccnc1N 7a_100000211975_100000210202 [1,1,0,0,0,0|2,0,0]=4 1066 B10R1.4 CCOc1cccnc1O 271570a_203496583355_100011597540 [1,1,0,0,0,0|2,0,0]=4 1067 B10R1.4 CCOc1cnccc1C 34a_100011997053_100000210202 [1,1,0,0,0,0|2,0,0]=4 1068 B10R1.4 CCOc1cnccc1C 7a_100011997053_100000210202 [1,1,0,0,0,0|2,0,0]=4 1069 B10R1.4 CCOc1cnccc1Cl 34a_100011996695_100000210202 [1,1,0,0,0,0|2,0,0]=4 1070 B10R1.4 CCOc1cnccc1I 34a_100000050107_100000210202 [1,1,0,0,0,0|2,0,0]=4 1071 B10R1.4 CCOc1cnccc1N 34a_100000753702_100000210202 [1,1,0,0,0,0|2,0,0]=4 1072 B10R1.4 CCSc1cccnc1Br 62a_100000210202_100010202626 [1,1,0,0,0,0|2,0,0]=4 1073 B10R1.4 CCSc1cccnc1Br 62a_100010202626_100000210202 [1,1,0,0,0,0|2,0,0]=4 1074 B10R1.4 CCSc1cccnc1C 62a_100000210202_100000751574 [1,1,0,0,0,0|2,0,0]=4 1075 B10R1.4 CCSc1cccnc1C 62a_100000751574_100000210202 [1,1,0,0,0,0|2,0,0]=4 1076 B10R1.4 CCSc1cccnc1Cl 62a_100000036424_100000210202 [1,1,0,0,0,0|2,0,0]=4 1077 B10R1.4 CCSc1cccnc1Cl 62a_100000210202_100000036424 [1,1,0,0,0,0|2,0,0]=4 1078 B10R1.4 CCSc1cccnc1F 62a_100000210202_100009816115 [1,1,0,0,0,0|2,0,0]=4 1079 B10R1.4 CCSc1cccnc1F 62a_100009816115_100000210202 [1,1,0,0,0,0|2,0,0]=4 1080 B10R1.4 CCSc1cccnc1N 62a_100000045569_100000210202 [1,1,0,0,0,0|2,0,0]=4 1081 B10R1.4 CCSc1cccnc1N 62a_100000210202_100000045569 [1,1,0,0,0,0|2,0,0]=4 1082 B10R1.4 CCSc1cccnc1O 62a_100000210202_100000760158 [1,1,0,0,0,0|2,0,0]=4 1083 B10R1.4 CCSc1cccnc1O 62a_100000760158_100000210202 [1,1,0,0,0,0|2,0,0]=4 1084 B10R1.4 CCSc1cnccc1Br 62a_100000210202_100010138639 [1,1,0,0,0,0|2,0,0]=4 1085 B10R1.4 CCSc1cnccc1Br 62a_100010138639_100000210202 [1,1,0,0,0,0|2,0,0]=4 1086 B10R1.4 CCSc1cnccc1C 62a_100000210202_100000761580 [1,1,0,0,0,0|2,0,0]=4 1087 B10R1.4 CCSc1cnccc1C 62a_100000761580_100000210202 [1,1,0,0,0,0|2,0,0]=4 1088 B10R1.4 CCSc1cnccc1Cl 62a_100000210202_100009995489 [1,1,0,0,0,0|2,0,0]=4 1089 B10R1.4 CCSc1cnccc1Cl 62a_100009995489_100000210202 [1,1,0,0,0,0|2,0,0]=4 1090 B10R1.4 CCSc1cnccc1F 62a_100000210202_100009820683 [1,1,0,0,0,0|2,0,0]=4 1091 B10R1.4 CCSc1cnccc1F 62a_100009820683_100000210202 [1,1,0,0,0,0|2,0,0]=4 1092 B10R1.4 CCSc1cnccc1N 62a_100000047001_100000210202 [1,1,0,0,0,0|2,0,0]=4 1093 B10R1.4 CCSc1cnccc1N 62a_100000210202_100000047001 [1,1,0,0,0,0|2,0,0]=4 1094 B10R1.4 CNCc1cccnc1Br 2230a_100009818023_200000210301 [1,1,0,0,0,0|1,0,1]=4 1095 B10R1.4 CNCc1cccnc1Br 2230a_106832991635_100010140945 [1,1,0,0,0,0|1,0,1]=4 1096 B10R1.4 CNCc1cccnc1Br 34a_100009818023_200000210301 [1,1,0,0,0,0|1,0,1]=4 1097 B10R1.4 CNCc1cccnc1Br 34a_100102657272_100010140945 [1,1,0,0,0,0|1,0,1]=4 1098 B10R1.4 CNCc1cccnc1Br 7a_106832991635_100010140945 [1,1,0,0,0,0|1,0,1]=4 1099 B10R1.4 CNCc1cccnc1C 207a_100102657272_100000751968 [1,1,0,0,0,0|1,0,1]=4 1100 B10R1.4 CNCc1cccnc1C 2230a_106832991635_100000732876 [1,1,0,0,0,0|1,0,1]=4 1101 B10R1.4 CNCc1cccnc1C 270004a_106832991635_100000751968 [1,1,0,0,0,0|1,0,1]=4 1102 B10R1.4 CNCc1cccnc1C 34a_100102657272_100000732876 [1,1,0,0,0,0|1,0,1]=4 1103 B10R1.4 CNCc1cccnc1C 7a_106832991635_100000732876 [1,1,0,0,0,0|1,0,1]=4 1104 B10R1.4 CNCc1cccnc1Cl 2230a_100015189234_200000210301 [1,1,0,0,0,0|1,0,1]=4 1105 B10R1.4 CNCc1cccnc1Cl 2230a_106832991635_100000045678 [1,1,0,0,0,0|1,0,1]=4 1106 B10R1.4 CNCc1cccnc1Cl 34a_100015189234_200000210301 [1,1,0,0,0,0|1,0,1]=4 1107 B10R1.4 CNCc1cccnc1Cl 34a_100102657272_100000045678 [1,1,0,0,0,0|1,0,1]=4 1108 B10R1.4 CNCc1cccnc1Cl 7a_106832991635_100000045678 [1,1,0,0,0,0|1,0,1]=4 1109 B10R1.4 CNCc1cccnc1F 2230a_106832991635_100000099810 [1,1,0,0,0,0|1,0,1]=4 1110 B10R1.4 CNCc1cccnc1F 34a_100000724633_200000210301 [1,1,0,0,0,0|1,0,1]=4 1111 B10R1.4 CNCc1cccnc1F 34a_100102657272_100000099810 [1,1,0,0,0,0|1,0,1]=4 1112 B10R1.4 CNCc1cccnc1F 7a_106832991635_100000099810 [1,1,0,0,0,0|1,0,1]=4 1113 B10R1.4 CNCc1cccnc1O 207a_100102657272_100011998315 [1,1,0,0,0,0|1,0,1]=4 1114 B10R1.4 CNCc1cccnc1O 270004a_106832991635_100011998315 [1,1,0,0,0,0|1,0,1]=4 1115 B10R1.4 CNCc1cccnc1O 271570a_203496583355_103496529121 [1,1,0,0,0,0|1,0,1]=4 1116 B10R1.4 CNCc1cnccc1Br 270004a_106832991635_100009816821 [1,1,0,0,0,0|1,0,1]=4 1117 B10R1.4 CNCc1cnccc1C 207a_100102657272_100000685662 [1,1,0,0,0,0|1,0,1]=4 1118 B10R1.4 CNCc1cnccc1C 2230a_106832991635_100000690890 [1,1,0,0,0,0|1,0,1]=4 1119 B10R1.4 CNCc1cnccc1C 270004a_106832991635_100000685662 [1,1,0,0,0,0|1,0,1]=4 1120 B10R1.4 CNCc1cnccc1C 34a_100102657272_100000690890 [1,1,0,0,0,0|1,0,1]=4 1121 B10R1.4 CNCc1cnccc1C 7a_106832991635_100000690890 [1,1,0,0,0,0|1,0,1]=4 1122 B10R1.4 CNCc1cnccc1Cl 270004a_106832991635_100000050567 [1,1,0,0,0,0|1,0,1]=4 1123 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [1,1,0,0,0,0|1,0,1]=4 1124 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [1,1,0,0,0,0|1,0,1]=4 1125 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [1,1,0,0,0,0|1,0,1]=4 1126 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,1,0,0,0,0|1,0,1]=4 1127 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,1,0,0,0,0|1,0,1]=4 1128 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,1,0,0,0,0|1,0,1]=4 1129 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [1,1,0,0,0,0|1,0,1]=4 1130 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [1,1,0,0,0,0|1,0,1]=4 1131 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [1,1,0,0,0,0|1,0,1]=4 1132 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [1,1,0,0,0,0|1,0,1]=4 1133 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [1,1,0,0,0,0|1,0,1]=4 1134 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [1,1,0,0,0,0|1,0,1]=4 1135 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [1,1,0,0,0,0|1,0,1]=4 1136 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [1,1,0,0,0,0|1,0,1]=4 1137 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [1,1,0,0,0,0|1,0,1]=4 1138 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [1,1,0,0,0,0|1,0,1]=4 1139 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [1,1,0,0,0,0|1,0,1]=4 1140 B10R1.4 COCc1cccnc1Br 34a_100000719692_200000210301 [1,1,0,0,0,0|0,0,1]=3 1141 B10R1.4 COCc1cccnc1Br 34a_100138415774_100010140945 [1,1,0,0,0,0|0,0,1]=3 1142 B10R1.4 COCc1cccnc1Br 7a_100000719692_200000210301 [1,1,0,0,0,0|0,0,1]=3 1143 B10R1.4 COCc1cccnc1C 34a_100000729262_200000210301 [1,1,0,0,0,0|0,0,1]=3 1144 B10R1.4 COCc1cccnc1C 34a_100138415774_100000732876 [1,1,0,0,0,0|0,0,1]=3 1145 B10R1.4 COCc1cccnc1C 7a_100000729262_200000210301 [1,1,0,0,0,0|0,0,1]=3 1146 B10R1.4 COCc1cccnc1Cl 34a_100000748726_200000210301 [1,1,0,0,0,0|0,0,1]=3 1147 B10R1.4 COCc1cccnc1Cl 34a_100138415774_100000045678 [1,1,0,0,0,0|0,0,1]=3 1148 B10R1.4 COCc1cccnc1Cl 7a_100000748726_200000210301 [1,1,0,0,0,0|0,0,1]=3 1149 B10R1.4 COCc1cccnc1F 34a_100000079888_200000210301 [1,1,0,0,0,0|0,0,1]=3 1150 B10R1.4 COCc1cccnc1F 34a_100138415774_100000099810 [1,1,0,0,0,0|0,0,1]=3 1151 B10R1.4 COCc1cccnc1F 7a_100000079888_200000210301 [1,1,0,0,0,0|0,0,1]=3 1152 B10R1.4 COCc1cnccc1C 34a_100011996381_200000210301 [1,1,0,0,0,0|0,0,1]=3 1153 B10R1.4 COCc1cnccc1C 34a_100138415774_100000690890 [1,1,0,0,0,0|0,0,1]=3 1154 B10R1.4 COCc1cnccc1Cl 34a_100000117392_200000210301 [1,1,0,0,0,0|0,0,1]=3 1155 B10R1.4 COCc1nccnc1Cl 34a_100000057004_200000210301 [1,1,0,0,0,0|1,0,1]=4 1156 B10R1.4 CSCc1cccnc1Br 62a_100010140945_200000210301 [1,1,0,0,0,0|0,1,1]=4 1157 B10R1.4 CSCc1cccnc1Br 62a_200000210301_100010140945 [1,1,0,0,0,0|0,1,1]=4 1158 B10R1.4 CSCc1cccnc1C 62a_100000732876_200000210301 [1,1,0,0,0,0|0,1,1]=4 1159 B10R1.4 CSCc1cccnc1C 62a_200000210301_100000732876 [1,1,0,0,0,0|0,1,1]=4 1160 B10R1.4 CSCc1cccnc1Cl 62a_100000045678_200000210301 [1,1,0,0,0,0|0,1,1]=4 1161 B10R1.4 CSCc1cccnc1Cl 62a_200000210301_100000045678 [1,1,0,0,0,0|0,1,1]=4 1162 B10R1.4 CSCc1cccnc1F 62a_100000099810_200000210301 [1,1,0,0,0,0|0,1,1]=4 1163 B10R1.4 CSCc1cccnc1F 62a_200000210301_100000099810 [1,1,0,0,0,0|0,1,1]=4 1164 B10R1.4 CSCc1cnccc1C 62a_100000690890_200000210301 [1,1,0,0,0,0|0,1,1]=4 1165 B10R1.4 CSCc1cnccc1C 62a_200000210301_100000690890 [1,1,0,0,0,0|0,1,1]=4 1166 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,1,0,0,0,0|1,0,1]=4 1167 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,1,0,0,0,0|1,0,1]=4 1168 B10R1.4 Cc1ccncc1CO[13CH3] 34a_100011996381_200025704644 [1,1,0,0,0,0|0,0,1]=3 1169 B10R1.4 Cc1ccncc1CS[13CH3] 62a_100000690890_200025704644 [1,1,0,0,0,0|0,1,1]=4 1170 B10R1.4 Cc1ccncc1CS[13CH3] 62a_200025704644_100000690890 [1,1,0,0,0,0|0,1,1]=4 1171 B10R1.4 Cc1ncccc1CO[13CH3] 34a_100000729262_200025704644 [1,1,0,0,0,0|0,0,1]=3 1172 B10R1.4 Cc1ncccc1CO[13CH3] 7a_100000729262_200025704644 [1,1,0,0,0,0|0,0,1]=3 1173 B10R1.4 Cc1ncccc1CS[13CH3] 62a_100000732876_200025704644 [1,1,0,0,0,0|0,1,1]=4 1174 B10R1.4 Cc1ncccc1CS[13CH3] 62a_200025704644_100000732876 [1,1,0,0,0,0|0,1,1]=4 1175 B10R1.4 [13CH3]NCc1cccnc1Br 2230a_100009818023_200025704644 [1,1,0,0,0,0|1,0,1]=4 1176 B10R1.4 [13CH3]NCc1cccnc1Br 34a_100009818023_200025704644 [1,1,0,0,0,0|1,0,1]=4 1177 B10R1.4 [13CH3]NCc1cccnc1Cl 2230a_100015189234_200025704644 [1,1,0,0,0,0|1,0,1]=4 1178 B10R1.4 [13CH3]NCc1cccnc1Cl 34a_100015189234_200025704644 [1,1,0,0,0,0|1,0,1]=4 1179 B10R1.4 [13CH3]NCc1cccnc1F 34a_100000724633_200025704644 [1,1,0,0,0,0|1,0,1]=4 1180 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [1,1,0,0,0,0|1,0,1]=4 1181 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [1,1,0,0,0,0|1,0,1]=4 1182 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [1,1,0,0,0,0|1,0,1]=4 1183 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [1,1,0,0,0,0|1,0,1]=4 1184 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [1,1,0,0,0,0|1,0,1]=4 1185 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [1,1,0,0,0,0|1,0,1]=4 1186 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [1,1,0,0,0,0|1,0,1]=4 1187 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [1,1,0,0,0,0|1,0,1]=4 1188 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [1,1,0,0,0,0|1,0,1]=4 1189 B10R1.4 [13CH3]OCc1cccnc1Br 34a_100000719692_200025704644 [1,1,0,0,0,0|0,0,1]=3 1190 B10R1.4 [13CH3]OCc1cccnc1Br 7a_100000719692_200025704644 [1,1,0,0,0,0|0,0,1]=3 1191 B10R1.4 [13CH3]OCc1cccnc1Cl 34a_100000748726_200025704644 [1,1,0,0,0,0|0,0,1]=3 1192 B10R1.4 [13CH3]OCc1cccnc1Cl 7a_100000748726_200025704644 [1,1,0,0,0,0|0,0,1]=3 1193 B10R1.4 [13CH3]OCc1cccnc1F 34a_100000079888_200025704644 [1,1,0,0,0,0|0,0,1]=3 1194 B10R1.4 [13CH3]OCc1cccnc1F 7a_100000079888_200025704644 [1,1,0,0,0,0|0,0,1]=3 1195 B10R1.4 [13CH3]OCc1cnccc1Cl 34a_100000117392_200025704644 [1,1,0,0,0,0|0,0,1]=3 1196 B10R1.4 [13CH3]OCc1nccnc1Cl 34a_100000057004_200025704644 [1,1,0,0,0,0|1,0,1]=4 1197 B10R1.4 [13CH3]SCc1cccnc1Br 62a_100010140945_200025704644 [1,1,0,0,0,0|0,1,1]=4 1198 B10R1.4 [13CH3]SCc1cccnc1Br 62a_200025704644_100010140945 [1,1,0,0,0,0|0,1,1]=4 1199 B10R1.4 [13CH3]SCc1cccnc1Cl 62a_100000045678_200025704644 [1,1,0,0,0,0|0,1,1]=4 1200 B10R1.4 [13CH3]SCc1cccnc1Cl 62a_200025704644_100000045678 [1,1,0,0,0,0|0,1,1]=4 1201 B10R1.4 [13CH3]SCc1cccnc1F 62a_100000099810_200025704644 [1,1,0,0,0,0|0,1,1]=4 1202 B10R1.4 [13CH3]SCc1cccnc1F 62a_200025704644_100000099810 [1,1,0,0,0,0|0,1,1]=4 1203 B10R1.10 C=C=Cc1cncc(c1)Br 271570a_100015277604_100000728054 [1,1,0,0,0,0|1,0,1]=4 1204 B10R1.10 C=C=Cc1cncc(c1)C 271570a_100015277604_100000760492 [1,1,0,0,0,0|1,0,1]=4 1205 B10R1.10 C=C=Cc1cncc(c1)Cl 271570a_100015277604_100000049639 [1,1,0,0,0,0|1,0,1]=4 1206 B10R1.10 C=C=Cc1cncc(c1)F 271570a_100015277604_100000744099 [1,1,0,0,0,0|1,0,1]=4 1207 B10R1.10 C=C=Cc1cncc(c1)N 271570a_100015277604_100000687067 [1,1,0,0,0,0|1,0,1]=4 1208 B10R1.10 C=C=Cc1cncc(c1)O 271570a_100015277604_100000754920 [1,1,0,0,0,0|1,0,1]=4 1209 B10R1.10 CC=Cc1cc(cnn1)C 271570a_100016259895_100000070100 [1,1,0,0,0,0|2,0,0]=4 1210 B10R1.10 CC=Cc1cc(cnn1)O 271570a_100016259895_200010734679 [1,1,0,0,0,0|2,0,0]=4 1211 B10R1.10 CC=Cc1ccc[n+](c1)C 271570a_100016259895_100009996589 [1,1,0,0,0,0|1,0,1]=4 1212 B10R1.10 CC=Cc1ccc[n+](c1)[O-] 271570a_100016259895_100009815978 [1,1,0,0,0,0|1,0,1]=4 1213 B10R1.10 CC=Cc1cccc(c1)Br 271570a_100016259895_100000691529 [1,1,0,0,0,0|2,0,0]=4 1214 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [1,1,0,0,0,0|2,0,0]=4 1215 B10R1.10 CC=Cc1cccc(c1)Cl 271570a_100016259895_100000699651 [1,1,0,0,0,0|2,0,0]=4 1216 B10R1.10 CC=Cc1cccc(c1)F 271570a_100016259895_100000685547 [1,1,0,0,0,0|2,0,0]=4 1217 B10R1.10 CC=Cc1cccc(c1)N 271570a_100016259895_100000210019 [1,1,0,0,0,0|2,0,0]=4 1218 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [1,1,0,0,0,0|2,0,0]=4 1219 B10R1.10 CC=Cc1cccc(c1)[S] 271570a_100016259895_114929384022 [1,1,0,0,0,0|2,0,0]=4 1220 B10R1.10 CC=Cc1cn[nH]c(=O)c1 271570a_100016259895_100010197405 [1,1,0,0,0,0|2,0,0]=4 1221 B10R1.10 CC=Cc1cncc(c1)Br 271570a_100016259895_100000728054 [1,1,0,0,0,0|1,0,0]=3 1222 B10R1.10 CC=Cc1cncc(c1)C 271570a_100016259895_100000760492 [1,1,0,0,0,0|1,0,0]=3 1223 B10R1.10 CC=Cc1cncc(c1)Cl 271570a_100016259895_100000049639 [1,1,0,0,0,0|1,0,0]=3 1224 B10R1.10 CC=Cc1cncc(c1)F 271570a_100016259895_100000744099 [1,1,0,0,0,0|1,0,0]=3 1225 B10R1.10 CC=Cc1cncc(c1)N 271570a_100016259895_100000687067 [1,1,0,0,0,0|1,0,0]=3 1226 B10R1.10 CC=Cc1cncc(c1)O 271570a_100016259895_100000754920 [1,1,0,0,0,0|1,0,0]=3 1227 B10R1.10 CC=Cc1cncc(n1)C 271570a_100016259895_100009842155 [1,1,0,0,0,0|2,0,0]=4 1228 B10R1.10 CC=Cc1cncc(n1)F 271570a_100016259895_200009863489 [1,1,0,0,0,0|2,0,0]=4 1229 B10R1.10 CC=Cc1cncc(n1)N 271570a_100016259895_100009819714 [1,1,0,0,0,0|2,0,0]=4 1230 B10R1.10 CC=Cc1cncc(n1)O 271570a_100016259895_100011269956 [1,1,0,0,0,0|2,0,0]=4 1231 B10R1.10 CC=Cc1cnnc(c1)N 271570a_100016259895_100000130277 [1,1,0,0,0,0|2,0,0]=4 1232 B10R1.10 CCOc1cncc(c1)Br 34a_100000754920_100000210202 [1,1,0,0,0,0|2,0,0]=4 1233 B10R1.10 CCOc1cncc(c1)Br 7a_100000754920_100000210202 [1,1,0,0,0,0|2,0,0]=4 1234 B10R1.10 CCOc1cncc(c1)C 34a_100011830280_100000210202 [1,1,0,0,0,0|2,0,0]=4 1235 B10R1.10 CCOc1cncc(c1)C 7a_100011830280_100000210202 [1,1,0,0,0,0|2,0,0]=4 1236 B10R1.10 CCOc1cncc(c1)Cl 7a_100000032511_100000210202 [1,1,0,0,0,0|2,0,0]=4 1237 B10R1.10 CCOc1cncc(c1)F 34a_100011830296_100000210202 [1,1,0,0,0,0|2,0,0]=4 1238 B10R1.10 CCOc1cncc(c1)F 7a_100011830296_100000210202 [1,1,0,0,0,0|2,0,0]=4 1239 B10R1.10 CCOc1cncc(c1)N 34a_100011997051_100000210202 [1,1,0,0,0,0|2,0,0]=4 1240 B10R1.10 CCOc1cncc(c1)O 271570a_203496583355_100012029586 [1,1,0,0,0,0|2,0,0]=4 1241 B10R1.10 CCSc1cncc(c1)Br 62a_100000210202_100000728054 [1,1,0,0,0,0|2,0,0]=4 1242 B10R1.10 CCSc1cncc(c1)Br 62a_100000728054_100000210202 [1,1,0,0,0,0|2,0,0]=4 1243 B10R1.10 CCSc1cncc(c1)C 62a_100000210202_100000760492 [1,1,0,0,0,0|2,0,0]=4 1244 B10R1.10 CCSc1cncc(c1)C 62a_100000760492_100000210202 [1,1,0,0,0,0|2,0,0]=4 1245 B10R1.10 CCSc1cncc(c1)Cl 62a_100000049639_100000210202 [1,1,0,0,0,0|2,0,0]=4 1246 B10R1.10 CCSc1cncc(c1)Cl 62a_100000210202_100000049639 [1,1,0,0,0,0|2,0,0]=4 1247 B10R1.10 CCSc1cncc(c1)F 62a_100000210202_100000744099 [1,1,0,0,0,0|2,0,0]=4 1248 B10R1.10 CCSc1cncc(c1)F 62a_100000744099_100000210202 [1,1,0,0,0,0|2,0,0]=4 1249 B10R1.10 CCSc1cncc(c1)N 62a_100000210202_100000687067 [1,1,0,0,0,0|2,0,0]=4 1250 B10R1.10 CCSc1cncc(c1)N 62a_100000687067_100000210202 [1,1,0,0,0,0|2,0,0]=4 1251 B10R1.10 CCSc1cncc(c1)O 62a_100000210202_100000754920 [1,1,0,0,0,0|2,0,0]=4 1252 B10R1.10 CCSc1cncc(c1)O 62a_100000754920_100000210202 [1,1,0,0,0,0|2,0,0]=4 1253 B10R1.10 CNCc1cncc(c1)Br 207a_100102657272_100000687066 [1,1,0,0,0,0|1,0,1]=4 1254 B10R1.10 CNCc1cncc(c1)Br 2230a_106832991635_100000738771 [1,1,0,0,0,0|1,0,1]=4 1255 B10R1.10 CNCc1cncc(c1)Br 270004a_106832991635_100000687066 [1,1,0,0,0,0|1,0,1]=4 1256 B10R1.10 CNCc1cncc(c1)Br 34a_100102657272_100000738771 [1,1,0,0,0,0|1,0,1]=4 1257 B10R1.10 CNCc1cncc(c1)Br 7a_106832991635_100000738771 [1,1,0,0,0,0|1,0,1]=4 1258 B10R1.10 CNCc1cncc(c1)C 207a_100102657272_100011998712 [1,1,0,0,0,0|1,0,1]=4 1259 B10R1.10 CNCc1cncc(c1)C 2230a_100000692839_200000210301 [1,1,0,0,0,0|1,0,1]=4 1260 B10R1.10 CNCc1cncc(c1)C 2230a_106832991635_100000716715 [1,1,0,0,0,0|1,0,1]=4 1261 B10R1.10 CNCc1cncc(c1)C 270004a_106832991635_100011998712 [1,1,0,0,0,0|1,0,1]=4 1262 B10R1.10 CNCc1cncc(c1)C 34a_100000692839_200000210301 [1,1,0,0,0,0|1,0,1]=4 1263 B10R1.10 CNCc1cncc(c1)C 34a_100102657272_100000716715 [1,1,0,0,0,0|1,0,1]=4 1264 B10R1.10 CNCc1cncc(c1)C 7a_106832991635_100000716715 [1,1,0,0,0,0|1,0,1]=4 1265 B10R1.10 CNCc1cncc(c1)Cl 207a_100102657272_100000088910 [1,1,0,0,0,0|1,0,1]=4 1266 B10R1.10 CNCc1cncc(c1)Cl 2230a_106832991635_100016992070 [1,1,0,0,0,0|1,0,1]=4 1267 B10R1.10 CNCc1cncc(c1)Cl 2230a_200020614424_200000210301 [1,1,0,0,0,0|1,0,1]=4 1268 B10R1.10 CNCc1cncc(c1)Cl 270004a_106832991635_100000088910 [1,1,0,0,0,0|1,0,1]=4 1269 B10R1.10 CNCc1cncc(c1)Cl 34a_100102657272_100016992070 [1,1,0,0,0,0|1,0,1]=4 1270 B10R1.10 CNCc1cncc(c1)Cl 7a_106832991635_100016992070 [1,1,0,0,0,0|1,0,1]=4 1271 B10R1.10 CNCc1cncc(c1)F 207a_100102657272_100011361476 [1,1,0,0,0,0|1,0,1]=4 1272 B10R1.10 CNCc1cncc(c1)F 2230a_100011962886_200000210301 [1,1,0,0,0,0|1,0,1]=4 1273 B10R1.10 CNCc1cncc(c1)F 2230a_106832991635_100000725299 [1,1,0,0,0,0|1,0,1]=4 1274 B10R1.10 CNCc1cncc(c1)F 270004a_106832991635_100011361476 [1,1,0,0,0,0|1,0,1]=4 1275 B10R1.10 CNCc1cncc(c1)F 34a_100011962886_200000210301 [1,1,0,0,0,0|1,0,1]=4 1276 B10R1.10 CNCc1cncc(c1)F 34a_100102657272_100000725299 [1,1,0,0,0,0|1,0,1]=4 1277 B10R1.10 CNCc1cncc(c1)F 7a_106832991635_100000725299 [1,1,0,0,0,0|1,0,1]=4 1278 B10R1.10 CNCc1cncc(c1)O 207a_100102657272_100012187055 [1,1,0,0,0,0|1,0,1]=4 1279 B10R1.10 CNCc1cncc(c1)O 270004a_106832991635_100012187055 [1,1,0,0,0,0|1,0,1]=4 1280 B10R1.10 CNCc1cncc(c1)O 271570a_203496583355_103549770560 [1,1,0,0,0,0|1,0,1]=4 1281 B10R1.10 COCc1cc(cnn1)C 34a_100016212594_200000210301 [1,1,0,0,0,0|1,0,1]=4 1282 B10R1.10 COCc1ccc[n+](c1)[O-] 34a_100000037817_200000210301 [1,1,0,0,0,0|0,0,2]=4 1283 B10R1.10 COCc1ccc[n+](c1)[O-] 7a_100000037817_200000210301 [1,1,0,0,0,0|0,0,2]=4 1284 B10R1.10 COCc1cccc(c1)Br 34a_100000687537_200000210301 [1,1,0,0,0,0|1,0,1]=4 1285 B10R1.10 COCc1cccc(c1)Br 34a_100138415774_100000698116 [1,1,0,0,0,0|1,0,1]=4 1286 B10R1.10 COCc1cccc(c1)Br 7a_100000687537_200000210301 [1,1,0,0,0,0|1,0,1]=4 1287 B10R1.10 COCc1cccc(c1)C 34a_100011217746_200000210301 [1,1,0,0,0,0|1,0,1]=4 1288 B10R1.10 COCc1cccc(c1)C 34a_100138415774_100000211840 [1,1,0,0,0,0|1,0,1]=4 1289 B10R1.10 COCc1cccc(c1)C 7a_100011217746_200000210301 [1,1,0,0,0,0|1,0,1]=4 1290 B10R1.10 COCc1cccc(c1)Cl 34a_100000241301_200000210301 [1,1,0,0,0,0|1,0,1]=4 1291 B10R1.10 COCc1cccc(c1)Cl 34a_100138415774_100000187163 [1,1,0,0,0,0|1,0,1]=4 1292 B10R1.10 COCc1cccc(c1)Cl 7a_100000241301_200000210301 [1,1,0,0,0,0|1,0,1]=4 1293 B10R1.10 COCc1cccc(c1)F 34a_100000210976_200000210301 [1,1,0,0,0,0|1,0,1]=4 1294 B10R1.10 COCc1cccc(c1)F 34a_100138415774_100000187166 [1,1,0,0,0,0|1,0,1]=4 1295 B10R1.10 COCc1cccc(c1)F 7a_100000210976_200000210301 [1,1,0,0,0,0|1,0,1]=4 1296 B10R1.10 COCc1cccc(c1)I 34a_100011215336_200000210301 [1,1,0,0,0,0|1,0,1]=4 1297 B10R1.10 COCc1cccc(c1)I 34a_100138415774_100011218688 [1,1,0,0,0,0|1,0,1]=4 1298 B10R1.10 COCc1cccc(c1)I 7a_100011215336_200000210301 [1,1,0,0,0,0|1,0,1]=4 1299 B10R1.10 COCc1cccc(c1)N 34a_100000211919_200000210301 [1,1,0,0,0,0|1,0,1]=4 1300 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [1,1,0,0,0,0|1,0,1]=4 1301 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [1,1,0,0,0,0|1,0,1]=4 1302 B10R1.10 COCc1cncc(c1)Br 34a_100011259137_200000210301 [1,1,0,0,0,0|0,0,1]=3 1303 B10R1.10 COCc1cncc(c1)Br 34a_100138415774_100000738771 [1,1,0,0,0,0|0,0,1]=3 1304 B10R1.10 COCc1cncc(c1)Br 7a_100011259137_200000210301 [1,1,0,0,0,0|0,0,1]=3 1305 B10R1.10 COCc1cncc(c1)C 34a_100011998709_200000210301 [1,1,0,0,0,0|0,0,1]=3 1306 B10R1.10 COCc1cncc(c1)C 34a_100138415774_100000716715 [1,1,0,0,0,0|0,0,1]=3 1307 B10R1.10 COCc1cncc(c1)C 7a_100011998709_200000210301 [1,1,0,0,0,0|0,0,1]=3 1308 B10R1.10 COCc1cncc(c1)Cl 34a_100000092867_200000210301 [1,1,0,0,0,0|0,0,1]=3 1309 B10R1.10 COCc1cncc(c1)Cl 34a_100138415774_100016992070 [1,1,0,0,0,0|0,0,1]=3 1310 B10R1.10 COCc1cncc(c1)Cl 7a_100000092867_200000210301 [1,1,0,0,0,0|0,0,1]=3 1311 B10R1.10 COCc1cncc(c1)F 34a_100011962875_200000210301 [1,1,0,0,0,0|0,0,1]=3 1312 B10R1.10 COCc1cncc(c1)F 34a_100138415774_100000725299 [1,1,0,0,0,0|0,0,1]=3 1313 B10R1.10 COCc1cncc(c1)F 7a_100011962875_200000210301 [1,1,0,0,0,0|0,0,1]=3 1314 B10R1.10 COCc1cncc(c1)N 34a_100000085308_200000210301 [1,1,0,0,0,0|0,0,1]=3 1315 B10R1.10 CSCc1cncc(c1)Br 62a_100000738771_200000210301 [1,1,0,0,0,0|0,1,1]=4 1316 B10R1.10 CSCc1cncc(c1)Br 62a_200000210301_100000738771 [1,1,0,0,0,0|0,1,1]=4 1317 B10R1.10 CSCc1cncc(c1)C 62a_100000716715_200000210301 [1,1,0,0,0,0|0,1,1]=4 1318 B10R1.10 CSCc1cncc(c1)C 62a_200000210301_100000716715 [1,1,0,0,0,0|0,1,1]=4 1319 B10R1.10 CSCc1cncc(c1)Cl 62a_100016992070_200000210301 [1,1,0,0,0,0|0,1,1]=4 1320 B10R1.10 CSCc1cncc(c1)Cl 62a_200000210301_100016992070 [1,1,0,0,0,0|0,1,1]=4 1321 B10R1.10 CSCc1cncc(c1)F 62a_100000725299_200000210301 [1,1,0,0,0,0|0,1,1]=4 1322 B10R1.10 CSCc1cncc(c1)F 62a_200000210301_100000725299 [1,1,0,0,0,0|0,1,1]=4 1323 B10R1.10 Cc1cccc(c1)CO[13CH3] 34a_100011217746_200025704644 [1,1,0,0,0,0|1,0,1]=4 1324 B10R1.10 Cc1cccc(c1)CO[13CH3] 7a_100011217746_200025704644 [1,1,0,0,0,0|1,0,1]=4 1325 B10R1.10 Cc1cncc(c1)CN[13CH3] 2230a_100000692839_200025704644 [1,1,0,0,0,0|1,0,1]=4 1326 B10R1.10 Cc1cncc(c1)CN[13CH3] 34a_100000692839_200025704644 [1,1,0,0,0,0|1,0,1]=4 1327 B10R1.10 Cc1cncc(c1)CO[13CH3] 34a_100011998709_200025704644 [1,1,0,0,0,0|0,0,1]=3 1328 B10R1.10 Cc1cncc(c1)CO[13CH3] 7a_100011998709_200025704644 [1,1,0,0,0,0|0,0,1]=3 1329 B10R1.10 Cc1cncc(c1)CS[13CH3] 62a_100000716715_200025704644 [1,1,0,0,0,0|0,1,1]=4 1330 B10R1.10 Cc1cncc(c1)CS[13CH3] 62a_200025704644_100000716715 [1,1,0,0,0,0|0,1,1]=4 1331 B10R1.10 Cc1cnnc(c1)CO[13CH3] 34a_100016212594_200025704644 [1,1,0,0,0,0|1,0,1]=4 1332 B10R1.10 [13CH3]NCc1cncc(c1)Cl 2230a_200020614424_200025704644 [1,1,0,0,0,0|1,0,1]=4 1333 B10R1.10 [13CH3]NCc1cncc(c1)F 2230a_100011962886_200025704644 [1,1,0,0,0,0|1,0,1]=4 1334 B10R1.10 [13CH3]NCc1cncc(c1)F 34a_100011962886_200025704644 [1,1,0,0,0,0|1,0,1]=4 1335 B10R1.10 [13CH3]OCc1ccc[n+](c1)[O-] 34a_100000037817_200025704644 [1,1,0,0,0,0|0,0,2]=4 1336 B10R1.10 [13CH3]OCc1ccc[n+](c1)[O-] 7a_100000037817_200025704644 [1,1,0,0,0,0|0,0,2]=4 1337 B10R1.10 [13CH3]OCc1cccc(c1)Br 34a_100000687537_200025704644 [1,1,0,0,0,0|1,0,1]=4 1338 B10R1.10 [13CH3]OCc1cccc(c1)Br 7a_100000687537_200025704644 [1,1,0,0,0,0|1,0,1]=4 1339 B10R1.10 [13CH3]OCc1cccc(c1)Cl 34a_100000241301_200025704644 [1,1,0,0,0,0|1,0,1]=4 1340 B10R1.10 [13CH3]OCc1cccc(c1)Cl 7a_100000241301_200025704644 [1,1,0,0,0,0|1,0,1]=4 1341 B10R1.10 [13CH3]OCc1cccc(c1)F 34a_100000210976_200025704644 [1,1,0,0,0,0|1,0,1]=4 1342 B10R1.10 [13CH3]OCc1cccc(c1)F 7a_100000210976_200025704644 [1,1,0,0,0,0|1,0,1]=4 1343 B10R1.10 [13CH3]OCc1cccc(c1)I 34a_100011215336_200025704644 [1,1,0,0,0,0|1,0,1]=4 1344 B10R1.10 [13CH3]OCc1cccc(c1)I 7a_100011215336_200025704644 [1,1,0,0,0,0|1,0,1]=4 1345 B10R1.10 [13CH3]OCc1cccc(c1)N 34a_100000211919_200025704644 [1,1,0,0,0,0|1,0,1]=4 1346 B10R1.10 [13CH3]OCc1cncc(c1)Br 34a_100011259137_200025704644 [1,1,0,0,0,0|0,0,1]=3 1347 B10R1.10 [13CH3]OCc1cncc(c1)Br 7a_100011259137_200025704644 [1,1,0,0,0,0|0,0,1]=3 1348 B10R1.10 [13CH3]OCc1cncc(c1)Cl 34a_100000092867_200025704644 [1,1,0,0,0,0|0,0,1]=3 1349 B10R1.10 [13CH3]OCc1cncc(c1)Cl 7a_100000092867_200025704644 [1,1,0,0,0,0|0,0,1]=3 1350 B10R1.10 [13CH3]OCc1cncc(c1)F 34a_100011962875_200025704644 [1,1,0,0,0,0|0,0,1]=3 1351 B10R1.10 [13CH3]OCc1cncc(c1)F 7a_100011962875_200025704644 [1,1,0,0,0,0|0,0,1]=3 1352 B10R1.10 [13CH3]OCc1cncc(c1)N 34a_100000085308_200025704644 [1,1,0,0,0,0|0,0,1]=3 1353 B10R1.10 [13CH3]SCc1cncc(c1)Br 62a_100000738771_200025704644 [1,1,0,0,0,0|0,1,1]=4 1354 B10R1.10 [13CH3]SCc1cncc(c1)Br 62a_200025704644_100000738771 [1,1,0,0,0,0|0,1,1]=4 1355 B10R1.10 [13CH3]SCc1cncc(c1)Cl 62a_100016992070_200025704644 [1,1,0,0,0,0|0,1,1]=4 1356 B10R1.10 [13CH3]SCc1cncc(c1)Cl 62a_200025704644_100016992070 [1,1,0,0,0,0|0,1,1]=4 1357 B10R1.10 [13CH3]SCc1cncc(c1)F 62a_100000725299_200025704644 [1,1,0,0,0,0|0,1,1]=4 1358 B10R1.10 [13CH3]SCc1cncc(c1)F 62a_200025704644_100000725299 [1,1,0,0,0,0|0,1,1]=4 1359 B10R1.17 CC=NNc1cccnc1 4a_100000728903_200000210099 [1,1,0,0,0,0|2,0,0]=4 1360 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [1,1,0,0,0,0|1,0,1]=4 1361 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [1,1,0,0,0,0|1,0,1]=4 1362 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [1,1,0,0,0,0|1,0,1]=4 1363 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [1,1,0,0,0,0|1,0,1]=4 1364 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [1,1,0,0,0,0|1,0,1]=4 1365 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [1,1,0,0,0,0|1,0,1]=4 1366 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [1,1,0,0,0,0|1,0,1]=4 1367 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [1,1,0,0,0,0|1,0,1]=4 1368 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [1,1,0,0,0,0|1,0,1]=4 1369 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [1,1,0,0,0,0|1,0,1]=4 1370 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [1,1,0,0,0,0|1,0,1]=4 1371 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [1,1,0,0,0,0|0,0,1]=3 1372 B10R1.17 CCOCc1cccnn1 34a_100121572206_100016990269 [1,1,0,0,0,0|1,0,1]=4 1373 B10R1.17 CCOCc1cnccn1 34a_100121572206_100016995436 [1,1,0,0,0,0|1,0,1]=4 1374 B10R1.17 CCOCc1cncnc1 34a_100121572206_100015196519 [1,1,0,0,0,0|1,0,1]=4 1375 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [1,1,0,0,0,0|0,1,1]=4 1376 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [1,1,0,0,0,0|0,1,1]=4 1377 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [1,1,0,0,0,0|1,0,1]=4 1378 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [1,1,0,0,0,0|1,0,1]=4 1379 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [1,1,0,0,0,0|1,0,1]=4 1380 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [1,1,0,0,0,0|1,0,1]=4 1381 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [1,1,0,0,0,0|1,0,1]=4 1382 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [1,1,0,0,0,0|1,0,1]=4 1383 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [1,1,0,0,0,0|0,0,1]=3 1384 B10R1.17 COCCc1cnccn1 34a_100011349526_200000210301 [1,1,0,0,0,0|1,0,1]=4 1385 B10R1.17 COCCc1cncnc1 34a_100011709255_200000210301 [1,1,0,0,0,0|1,0,1]=4 1386 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [1,1,0,0,0,0|1,0,1]=4 1387 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [1,1,0,0,0,0|1,0,1]=4 1388 B10R1.17 COCSc1cccnc1 62a_100000210063_100000766300 [1,1,0,0,0,0|0,0,1]=3 1389 B10R1.17 COCSc1cccnc1 62a_100000766300_100000210063 [1,1,0,0,0,0|0,0,1]=3 1390 B10R1.17 COCSc1cccnn1 62a_100000766300_100016991348 [1,1,0,0,0,0|1,0,1]=4 1391 B10R1.17 COCSc1cccnn1 62a_100016991348_100000766300 [1,1,0,0,0,0|1,0,1]=4 1392 B10R1.17 COCSc1ccnnc1 62a_100000732662_100000766300 [1,1,0,0,0,0|1,0,1]=4 1393 B10R1.17 COCSc1ccnnc1 62a_100000766300_100000732662 [1,1,0,0,0,0|1,0,1]=4 1394 B10R1.17 COCSc1cnccn1 62a_100000211759_100000766300 [1,1,0,0,0,0|1,0,1]=4 1395 B10R1.17 COCSc1cnccn1 62a_100000766300_100000211759 [1,1,0,0,0,0|1,0,1]=4 1396 B10R1.17 COCSc1cncnc1 62a_100000766300_100011206942 [1,1,0,0,0,0|1,0,1]=4 1397 B10R1.17 COCSc1cncnc1 62a_100011206942_100000766300 [1,1,0,0,0,0|1,0,1]=4 1398 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [1,1,0,0,0,0|0,1,1]=4 1399 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [1,1,0,0,0,0|0,1,1]=4 1400 B10R1.17 CSCOc1cccnc1 34a_100000210849_100011218213 [1,1,0,0,0,0|0,1,1]=4 1401 B10R1.17 CSCSc1cccnc1 62a_100000210063_100011218213 [1,1,0,0,0,0|0,1,1]=4 1402 B10R1.17 CSCSc1cccnc1 62a_100011218213_100000210063 [1,1,0,0,0,0|0,1,1]=4 1403 B10R1.17 FCCOc1cccnc1 34a_100000210849_100011217306 [1,1,0,0,0,0|2,0,0]=4 1404 B10R1.17 FCCOc1cccnc1 7a_100000210849_100011217306 [1,1,0,0,0,0|2,0,0]=4 1405 B10R1.17 FCCSc1cccnc1 62a_100000210063_100011217306 [1,1,0,0,0,0|2,0,0]=4 1406 B10R1.17 FCCSc1cccnc1 62a_100011217306_100000210063 [1,1,0,0,0,0|2,0,0]=4 1407 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [1,1,0,0,0,0|1,0,1]=4 1408 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [1,1,0,0,0,0|1,0,1]=4 1409 B10R1.17 FCSCc1cccnc1 62a_100000741622_100015361967 [1,1,0,0,0,0|0,1,1]=4 1410 B10R1.17 FCSCc1cccnc1 62a_100015361967_100000741622 [1,1,0,0,0,0|0,1,1]=4 1411 B10R1.17 OCCOc1cccnc1 34a_100000210849_100000211926 [1,1,0,0,0,0|2,0,0]=4 1412 B10R1.17 OCCOc1cccnc1 7a_100000210849_100000211926 [1,1,0,0,0,0|2,0,0]=4 1413 B10R1.17 OCCSc1cccnc1 62a_100000210063_100000211926 [1,1,0,0,0,0|2,0,0]=4 1414 B10R1.17 OCCSc1cccnc1 62a_100000211926_100000210063 [1,1,0,0,0,0|2,0,0]=4 1415 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [1,1,0,0,0,0|1,0,1]=4 1416 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [1,1,0,0,0,0|1,0,1]=4 1417 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [1,1,0,0,0,0|1,0,1]=4 1418 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [1,1,0,0,0,0|0,0,1]=3 1419 B10R1.17 [13CH3]OCCc1cnccn1 34a_100011349526_200025704644 [1,1,0,0,0,0|1,0,1]=4 1420 B10R1.17 [13CH3]OCCc1cncnc1 34a_100011709255_200025704644 [1,1,0,0,0,0|1,0,1]=4 1421 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [1,1,0,0,0,0|0,1,1]=4 1422 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [1,1,0,0,0,0|0,1,1]=4 1423 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,1,0,0,0,0|2,0,0]=4 1424 B10R1.18 CC(=Cc1cccnc1)C 271570a_100102525489_100000752921 [1,1,0,0,0,0|1,0,0]=3 1425 B10R1.18 CC(=Cc1cccnn1)C 271570a_100102525489_100016991348 [1,1,0,0,0,0|2,0,0]=4 1426 B10R1.18 CC(=Cc1ccnnc1)C 271570a_100102525489_100000732662 [1,1,0,0,0,0|2,0,0]=4 1427 B10R1.18 CC(=Cc1cnccn1)C 271570a_100102525489_100000758340 [1,1,0,0,0,0|2,0,0]=4 1428 B10R1.18 CC(=Cc1cncnc1)C 271570a_100102525489_100011206942 [1,1,0,0,0,0|2,0,0]=4 1429 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,1,0,0,0,0|1,0,1]=4 1430 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,1,0,0,0,0|1,0,1]=4 1431 B10R1.18 CC(C)Oc1cccnc1 34a_100000210849_100000210206 [1,1,0,0,0,0|2,0,0]=4 1432 B10R1.18 CC(C)Oc1cccnc1 7a_100000210849_100000210206 [1,1,0,0,0,0|2,0,0]=4 1433 B10R1.18 CC(C)Sc1cccnc1 62a_100000210063_100000210206 [1,1,0,0,0,0|2,0,0]=4 1434 B10R1.18 CC(C)Sc1cccnc1 62a_100000210206_100000210063 [1,1,0,0,0,0|2,0,0]=4 1435 B10R1.18 CN(C)Cc1cccnc1 2230a_100000184577_200000210301 [1,1,0,0,0,0|1,0,1]=4 1436 B10R1.18 CN(C)Cc1cccnc1 2230a_100102631434_100000741622 [1,1,0,0,0,0|1,0,1]=4 1437 B10R1.18 CN(C)Cc1cccnc1 269982a_100000184577_200000210301 [1,1,0,0,0,0|1,0,1]=4 1438 B10R1.18 CN(C)Cc1cccnc1 269982a_100102631434_100000733263 [1,1,0,0,0,0|1,0,1]=4 1439 B10R1.18 CN(C)Cc1cccnc1 270004a_100102631434_100000209961 [1,1,0,0,0,0|1,0,1]=4 1440 B10R1.18 CN([13CH3])Cc1cccnc1 2230a_100000184577_200025704644 [1,1,0,0,0,0|1,0,1]=4 1441 B10R1.18 CN([13CH3])Cc1cccnc1 269982a_100000184577_200025704644 [1,1,0,0,0,0|1,0,1]=4 1442 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,1,0,0,0,0|1,0,1]=4 1443 B10R1.11 CNCC(=O)c1ccc[nH]1 7a_106832991635_200011262396 [0,1,0,0,1,0|1,0,1]=4 1444 B10R1.11 CNCC(=O)c1ccco1 7a_106832991635_100000211439 [0,1,0,0,1,0|2,0,0]=4 1445 B10R1.11 CNCC(=O)c1cccs1 2230a_106832991635_100000211436 [0,1,0,0,1,0|2,0,0]=4 1446 B10R1.11 CNCC(=O)c1cccs1 7a_106832991635_100000211436 [0,1,0,0,1,0|2,0,0]=4 1447 B10R1.11 CNCC(=O)c1ccsc1 2230a_106832991635_100011219462 [0,1,0,0,1,0|2,0,0]=4 1448 B10R1.11 CNCC(=O)c1ccsc1 34a_100102657272_100011219462 [0,1,0,0,1,0|2,0,0]=4 1449 B10R1.11 CNCC(=O)c1ccsc1 7a_106832991635_100011219462 [0,1,0,0,1,0|2,0,0]=4 1450 B10R1.11 CNCC(=O)c1nccs1 7a_106832991635_100000718653 [0,1,0,0,1,0|2,0,0]=4 1451 B10R1.11 CNCC(=O)n1cccn1 2230a_106832991635_100000077511 [0,1,0,0,1,0|2,0,0]=4 1452 B10R1.11 CNCC(=O)n1cccn1 7a_106832991635_100000077511 [0,1,0,0,1,0|2,0,0]=4 1453 B10R1.11 COCC(=O)c1ccsc1 34a_100138415774_100011219462 [0,1,0,0,1,0|1,0,0]=3 1454 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200000210301_200011262396 [0,1,0,0,1,0|0,1,1]=4 1455 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200011262396_200000210301 [0,1,0,0,1,0|0,1,1]=4 1456 B10R1.11 CSCC(=O)c1ccco1 62a_100000211439_200000210301 [0,1,0,0,1,0|1,1,0]=4 1457 B10R1.11 CSCC(=O)c1ccco1 62a_200000210301_100000211439 [0,1,0,0,1,0|1,1,0]=4 1458 B10R1.11 CSCC(=O)c1cccs1 62a_100000211436_200000210301 [0,1,0,0,1,0|1,1,0]=4 1459 B10R1.11 CSCC(=O)c1cccs1 62a_200000210301_100000211436 [0,1,0,0,1,0|1,1,0]=4 1460 B10R1.11 CSCC(=O)c1ccsc1 62a_100011219462_200000210301 [0,1,0,0,1,0|1,1,0]=4 1461 B10R1.11 CSCC(=O)c1ccsc1 62a_200000210301_100011219462 [0,1,0,0,1,0|1,1,0]=4 1462 B10R1.11 CSCC(=O)c1nccs1 62a_100000718653_200000210301 [0,1,0,0,1,0|1,1,0]=4 1463 B10R1.11 CSCC(=O)c1nccs1 62a_200000210301_100000718653 [0,1,0,0,1,0|1,1,0]=4 1464 B10R1.11 CSCC(=O)n1cccn1 62a_100000077511_200000210301 [0,1,0,0,1,0|1,1,0]=4 1465 B10R1.11 CSCC(=O)n1cccn1 62a_200000210301_100000077511 [0,1,0,0,1,0|1,1,0]=4 1466 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200011262396_200025704644 [0,1,0,0,1,0|0,1,1]=4 1467 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200025704644_200011262396 [0,1,0,0,1,0|0,1,1]=4 1468 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_100000211439_200025704644 [0,1,0,0,1,0|1,1,0]=4 1469 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_200025704644_100000211439 [0,1,0,0,1,0|1,1,0]=4 1470 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_100000211436_200025704644 [0,1,0,0,1,0|1,1,0]=4 1471 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_200025704644_100000211436 [0,1,0,0,1,0|1,1,0]=4 1472 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_100011219462_200025704644 [0,1,0,0,1,0|1,1,0]=4 1473 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_200025704644_100011219462 [0,1,0,0,1,0|1,1,0]=4 1474 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_100000718653_200025704644 [0,1,0,0,1,0|1,1,0]=4 1475 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_200025704644_100000718653 [0,1,0,0,1,0|1,1,0]=4 1476 B10R1.11 [13CH3]SCC(=O)n1cccn1 62a_100000077511_200025704644 [0,1,0,0,1,0|1,1,0]=4 1477 B10R1.11 [13CH3]SCC(=O)n1cccn1 62a_200025704644_100000077511 [0,1,0,0,1,0|1,1,0]=4 1478 B10R1.14 CCC(=O)c1ccc(s1)O 271570a_203496583355_200011203577 [0,1,0,0,1,0|2,0,0]=4 1479 B10R1.14 CNC(=O)c1ccc(o1)O 271570a_203496583355_100000159859 [0,1,0,0,1,0|2,0,0]=4 1480 B10R1.14 CNC(=O)c1ccc(s1)O 271570a_203496583355_200000155069 [0,1,0,0,1,0|2,0,0]=4 1481 B10R1.14 CNC(=O)c1csc(n1)O 271570a_203496583355_100010260535 [0,1,0,0,1,0|2,0,0]=4 1482 B10R1.14 COC(=O)c1c[nH]c(c1)O 271570a_203496583355_100009840242 [0,1,0,0,1,0|0,0,1]=3 1483 B10R1.14 COC(=O)c1cc([nH]n1)O 271570a_203496583355_100010760819 [0,1,0,0,1,0|1,0,0]=3 1484 B10R1.14 COC(=O)c1cc(co1)O 271570a_203496583355_100009992624 [0,1,0,0,1,0|1,0,0]=3 1485 B10R1.14 COC(=O)c1cc(cs1)O 271570a_203496583355_100009815473 [0,1,0,0,1,0|1,0,0]=3 1486 B10R1.14 COC(=O)c1ccc([nH]1)O 271570a_203496583355_100000687774 [0,1,0,0,1,0|0,0,1]=3 1487 B10R1.14 COC(=O)c1ccc(o1)O 271570a_203496583355_100000148852 [0,1,0,0,1,0|1,0,0]=3 1488 B10R1.14 COC(=O)c1ccc(s1)O 271570a_203496583355_100000148107 [0,1,0,0,1,0|1,0,0]=3 1489 B10R1.14 COC(=O)c1cn(nn1)C 274090a_200000210301_100000211194 [0,1,0,0,1,0|2,0,0]=4 1490 B10R1.14 COC(=O)c1cn(nn1)[13CH3] 274090a_200025704644_100000211194 [0,1,0,0,1,0|2,0,0]=4 1491 B10R1.14 COC(=O)c1cnc([nH]1)O 271570a_203496583355_106744473586 [0,1,0,0,1,0|1,0,0]=3 1492 B10R1.14 COC(=O)c1cnc(s1)O 271570a_203496583355_100000738003 [0,1,0,0,1,0|1,0,0]=3 1493 B10R1.14 COC(=O)c1coc(n1)O 271570a_203496583355_100010235569 [0,1,0,0,1,0|1,0,0]=3 1494 B10R1.14 COC(=O)c1csc(c1)O 271570a_203496583355_100000692058 [0,1,0,0,1,0|1,0,0]=3 1495 B10R1.14 COC(=O)c1csc(n1)O 271570a_203496583355_100009816811 [0,1,0,0,1,0|1,0,0]=3 1496 B10R1.14 COC(=O)c1nc(cs1)O 271570a_203496583355_100012360158 [0,1,0,0,1,0|1,0,0]=3 1497 B10R1.14 COC(=O)c1nc(n[nH]1)O 271570a_203496583355_100010173354 [0,1,0,0,1,0|2,0,0]=4 1498 B10R1.14 COC(=O)c1ncc(s1)O 271570a_203496583355_100010191244 [0,1,0,0,1,0|1,0,0]=3 1499 B10R1.149 COC(=O)c1[nH]ccc1O 271570a_203496583355_100102525103 [0,1,0,0,1,0|0,0,1]=3 1500 B10R1.149 COC(=O)c1[nH]cnc1O 271570a_203496583355_100010290838 [0,1,0,0,1,0|1,0,0]=3 1501 B10R1.149 COC(=O)c1[nH]ncc1O 271570a_203496583355_100011934057 [0,1,0,0,1,0|1,0,0]=3 1502 B10R1.149 COC(=O)c1ccoc1O 271570a_203496583355_100011935261 [0,1,0,0,1,0|1,0,0]=3 1503 B10R1.149 COC(=O)c1ccsc1O 271570a_203496583355_100009822520 [0,1,0,0,1,0|1,0,0]=3 1504 B10R1.149 COC(=O)c1cscc1O 271570a_203496583355_100012351140 [0,1,0,0,1,0|1,0,0]=3 1505 B10R1.149 COC(=O)c1ncsc1O 271570a_203496583355_100009816836 [0,1,0,0,1,0|1,0,0]=3 1506 B10R1.149 COC(=O)c1nsnc1O 271570a_203496583355_200010229606 [0,1,0,0,1,0|2,0,0]=4 1507 B10R1.149 COC(=O)c1occc1O 271570a_203496583355_100012676306 [0,1,0,0,1,0|1,0,0]=3 1508 B10R1.149 COC(=O)c1sccc1O 271570a_203496583355_100000730364 [0,1,0,0,1,0|1,0,0]=3 1509 B10R1.149 COC(=O)c1scnc1O 271570a_203496583355_100013370767 [0,1,0,0,1,0|1,0,0]=3 1510 B12R1.32 C#CCC(=O)Cc1cccnc1 1458a_100000737805_100000184674 [0,1,0,0,0,1|1,0,1]=4 1511 B12R1.32 C#CCC(=O)Cc1cccnc1 1458a_100011220946_100000733263 [0,1,0,0,0,1|1,0,1]=4 1512 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 34a_200025717232_200025704644 [0,1,0,0,0,1|2,0,0]=4 1513 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 7a_200025717232_200025704644 [0,1,0,0,0,1|2,0,0]=4 1514 B12R1.32 C=CCC(=O)Cc1cccnc1 1458a_100000210193_100000733263 [0,1,0,0,0,1|1,0,1]=4 1515 B12R1.32 C=CCC(=O)Cc1cccnc1 1458a_100000737805_100000210623 [0,1,0,0,0,1|1,0,1]=4 1516 B12R1.32 CC#CC(=O)Cc1ccccc1 1458a_100000763181_100015291786 [0,1,0,0,0,1|2,0,0]=4 1517 B12R1.32 CC#CC(=O)Cc1cccnc1 1458a_100000763181_100000733263 [0,1,0,0,0,1|1,0,0]=3 1518 B12R1.32 CC#CC(=O)Cc1cccnn1 1458a_100000763181_100016990269 [0,1,0,0,0,1|2,0,0]=4 1519 B12R1.32 CC#CC(=O)Cc1cnccn1 1458a_100000763181_100016995436 [0,1,0,0,0,1|2,0,0]=4 1520 B12R1.32 CC#CC(=O)Cc1cncnc1 1458a_100000763181_100015196519 [0,1,0,0,0,1|2,0,0]=4 1521 B12R1.32 CC#CC(=O)Nc1ccccc1 22a_100000106764_100000763181 [0,1,0,0,0,1|2,0,0]=4 1522 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [0,1,0,0,0,1|2,0,0]=4 1523 B12R1.32 CC=CC(=O)Cc1cccnc1 1458a_100000210699_100000733263 [0,1,0,0,0,1|1,0,0]=3 1524 B12R1.32 CC=CC(=O)Cc1cccnn1 1458a_100000210699_100016990269 [0,1,0,0,0,1|2,0,0]=4 1525 B12R1.32 CC=CC(=O)Cc1cnccn1 1458a_100000210699_100016995436 [0,1,0,0,0,1|2,0,0]=4 1526 B12R1.32 CC=CC(=O)Cc1cncnc1 1458a_100000210699_100015196519 [0,1,0,0,0,1|2,0,0]=4 1527 B12R1.32 CC=CC(=O)Nc1ccccc1 11a_100000106764_100000210699 [0,1,0,0,0,1|2,0,0]=4 1528 B12R1.32 CC=CC(=O)Nc1ccccc1 1626a_100000106764_100000210699 [0,1,0,0,0,1|2,0,0]=4 1529 B12R1.32 CC=CC(=O)Nc1ccccc1 22a_100000106764_100000210699 [0,1,0,0,0,1|2,0,0]=4 1530 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [0,1,0,0,0,1|2,0,0]=4 1531 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000211992_100000733263 [0,1,0,0,0,1|1,0,0]=3 1532 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000737805_100000210303 [0,1,0,0,0,1|1,0,0]=3 1533 B12R1.32 CCCC(=O)Cc1cccnn1 1458a_100000211992_100016990269 [0,1,0,0,0,1|2,0,0]=4 1534 B12R1.32 CCCC(=O)Cc1cnccn1 1458a_100000211992_100016995436 [0,1,0,0,0,1|2,0,0]=4 1535 B12R1.32 CCCC(=O)Cc1cncnc1 1458a_100000211992_100015196519 [0,1,0,0,0,1|2,0,0]=4 1536 B12R1.32 CCCC(=O)Cc1cncnc1 1458a_100000721575_100000210303 [0,1,0,0,0,1|2,0,0]=4 1537 B12R1.32 CCCC(=O)Nc1ccccc1 11a_100000106764_100000211992 [0,1,0,0,0,1|2,0,0]=4 1538 B12R1.32 CCCC(=O)Nc1ccccc1 1626a_100000106764_100000211992 [0,1,0,0,0,1|2,0,0]=4 1539 B12R1.32 CCCC(=O)Nc1ccccc1 22a_100000106764_100000211992 [0,1,0,0,0,1|2,0,0]=4 1540 B12R1.32 CCCC(=O)Nc1ccccc1 527a_100000106764_100000211992 [0,1,0,0,0,1|2,0,0]=4 1541 B12R1.32 CCNC(=O)Cc1cccnc1 11a_100015525214_100000737805 [0,1,0,0,0,1|1,0,0]=3 1542 B12R1.32 CCNC(=O)Cc1cccnc1 240690a_100015525214_100000737805 [0,1,0,0,0,1|1,0,0]=3 1543 B12R1.32 CCNC(=O)Cc1cccnc1 527a_100015525214_100000737805 [0,1,0,0,0,1|1,0,0]=3 1544 B12R1.32 CCNC(=O)Cc1cnccn1 11a_100015525214_100000726051 [0,1,0,0,0,1|2,0,0]=4 1545 B12R1.32 CCNC(=O)Cc1cnccn1 240690a_100015525214_100000726051 [0,1,0,0,0,1|2,0,0]=4 1546 B12R1.32 CCNC(=O)Cc1cnccn1 527a_100015525214_100000726051 [0,1,0,0,0,1|2,0,0]=4 1547 B12R1.32 CCNC(=O)Cc1cncnc1 11a_100015525214_100000721575 [0,1,0,0,0,1|2,0,0]=4 1548 B12R1.32 CCNC(=O)Cc1cncnc1 240690a_100015525214_100000721575 [0,1,0,0,0,1|2,0,0]=4 1549 B12R1.32 CCNC(=O)Cc1cncnc1 527a_100015525214_100000721575 [0,1,0,0,0,1|2,0,0]=4 1550 B12R1.32 CCNC(=O)Nc1ccccc1 2430a_100000106764_100015525214 [0,1,0,0,0,1|2,0,0]=4 1551 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [0,1,0,0,0,1|2,0,0]=4 1552 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [0,1,0,0,0,1|2,0,0]=4 1553 B12R1.32 CNCC(=O)Nc1ccccc1 2230a_106832991635_100000182850 [0,1,0,0,0,1|2,0,0]=4 1554 B12R1.32 CNCC(=O)Nc1ccccc1 34a_100102657272_100000182850 [0,1,0,0,0,1|2,0,0]=4 1555 B12R1.32 CNCC(=O)Nc1ccccc1 7a_106832991635_100000182850 [0,1,0,0,0,1|2,0,0]=4 1556 B12R1.32 CNCC(=O)Oc1ccccc1 2230a_106832991635_100009813826 [0,1,0,0,0,1|2,0,0]=4 1557 B12R1.32 CNCC(=O)Oc1ccccc1 34a_100102657272_100009813826 [0,1,0,0,0,1|2,0,0]=4 1558 B12R1.32 CNCC(=O)Oc1ccccc1 7a_106832991635_100009813826 [0,1,0,0,0,1|2,0,0]=4 1559 B12R1.32 CNNC(=O)Cc1cccnc1 22a_100016993582_100000737805 [0,1,0,0,0,1|1,0,0]=3 1560 B12R1.32 CNNC(=O)Cc1cnccn1 22a_100016993582_100000726051 [0,1,0,0,0,1|2,0,0]=4 1561 B12R1.32 CNNC(=O)Cc1cncnc1 22a_100016993582_100000721575 [0,1,0,0,0,1|2,0,0]=4 1562 B12R1.32 COC/C(=C/c1ccccc1)/C 34a_200025717232_200000210301 [0,1,0,0,0,1|2,0,0]=4 1563 B12R1.32 COC/C(=C/c1ccccc1)/C 7a_200025717232_200000210301 [0,1,0,0,0,1|2,0,0]=4 1564 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [0,1,0,0,0,1|1,0,0]=3 1565 B12R1.32 COCC(=O)Cc1ccccn1 1458a_100000210968_100000721315 [0,1,0,0,0,1|2,0,0]=4 1566 B12R1.32 COCC(=O)Cc1cccnc1 1458a_100000210968_100000733263 [0,1,0,0,0,1|0,0,0]=2 1567 B12R1.32 COCC(=O)Cc1cccnn1 1458a_100000210968_100016990269 [0,1,0,0,0,1|1,0,0]=3 1568 B12R1.32 COCC(=O)Cc1ccncc1 1458a_100000210968_100000705612 [0,1,0,0,0,1|2,0,0]=4 1569 B12R1.32 COCC(=O)Cc1cnccn1 1458a_100000210968_100016995436 [0,1,0,0,0,1|1,0,0]=3 1570 B12R1.32 COCC(=O)Cc1cncnc1 1458a_100000210968_100015196519 [0,1,0,0,0,1|1,0,0]=3 1571 B12R1.32 COCC(=O)Nc1ccccc1 11a_100000106764_100000210968 [0,1,0,0,0,1|1,0,0]=3 1572 B12R1.32 COCC(=O)Nc1ccccc1 1626a_100000106764_100000210968 [0,1,0,0,0,1|1,0,0]=3 1573 B12R1.32 COCC(=O)Nc1ccccc1 22a_100000106764_100000210968 [0,1,0,0,0,1|1,0,0]=3 1574 B12R1.32 COCC(=O)Nc1ccccc1 34a_100000246334_200000210301 [0,1,0,0,0,1|1,0,0]=3 1575 B12R1.32 COCC(=O)Nc1ccccc1 34a_100138415774_100000182850 [0,1,0,0,0,1|1,0,0]=3 1576 B12R1.32 COCC(=O)Nc1ccccc1 527a_100000106764_100000210968 [0,1,0,0,0,1|1,0,0]=3 1577 B12R1.32 COCC(=O)Oc1ccccc1 34a_100138415774_100009813826 [0,1,0,0,0,1|1,0,0]=3 1578 B12R1.32 COCC(C)Oc1cccnc1 34a_100000210849_100000765312 [0,1,0,0,0,1|1,0,1]=4 1579 B12R1.32 COCC(C)Oc1cccnc1 7a_100000210849_100000765312 [0,1,0,0,0,1|1,0,1]=4 1580 B12R1.32 COCC(C)Sc1cccnc1 62a_100000210063_100000765312 [0,1,0,0,0,1|1,0,1]=4 1581 B12R1.32 COCC(C)Sc1cccnc1 62a_100000765312_100000210063 [0,1,0,0,0,1|1,0,1]=4 1582 B12R1.32 COCN(C)Cc1cccnc1 2230a_100000184577_100000766300 [0,1,0,0,0,1|2,0,0]=4 1583 B12R1.32 COCN(C)Cc1cccnc1 269982a_100000184577_100000766300 [0,1,0,0,0,1|2,0,0]=4 1584 B12R1.32 CSCC(=O)Cc1ccccc1 1458a_100000184570_100015291786 [0,1,0,0,0,1|1,1,0]=4 1585 B12R1.32 CSCC(=O)Cc1ccccc1 62a_100000233483_200000210301 [0,1,0,0,0,1|1,1,0]=4 1586 B12R1.32 CSCC(=O)Cc1ccccc1 62a_200000210301_100000233483 [0,1,0,0,0,1|1,1,0]=4 1587 B12R1.32 CSCC(=O)Cc1cccnc1 1458a_100000184570_100000733263 [0,1,0,0,0,1|0,1,0]=3 1588 B12R1.32 CSCC(=O)Cc1cccnn1 1458a_100000184570_100016990269 [0,1,0,0,0,1|1,1,0]=4 1589 B12R1.32 CSCC(=O)Cc1cnccn1 1458a_100000184570_100016995436 [0,1,0,0,0,1|1,1,0]=4 1590 B12R1.32 CSCC(=O)Cc1cncnc1 1458a_100000184570_100015196519 [0,1,0,0,0,1|1,1,0]=4 1591 B12R1.32 CSCC(=O)Nc1ccccc1 11a_100000106764_100000184570 [0,1,0,0,0,1|1,1,0]=4 1592 B12R1.32 CSCC(=O)Nc1ccccc1 1626a_100000106764_100000184570 [0,1,0,0,0,1|1,1,0]=4 1593 B12R1.32 CSCC(=O)Nc1ccccc1 22a_100000106764_100000184570 [0,1,0,0,0,1|1,1,0]=4 1594 B12R1.32 CSCC(=O)Nc1ccccc1 527a_100000106764_100000184570 [0,1,0,0,0,1|1,1,0]=4 1595 B12R1.32 CSCC(=O)Nc1ccccc1 62a_100012148978_200000210301 [0,1,0,0,0,1|1,1,0]=4 1596 B12R1.32 CSCC(=O)Nc1ccccc1 62a_200000210301_100000182850 [0,1,0,0,0,1|1,1,0]=4 1597 B12R1.32 CSCC(=O)Oc1ccccc1 62a_100009813826_200000210301 [0,1,0,0,0,1|1,1,0]=4 1598 B12R1.32 CSCC(=O)Oc1ccccc1 62a_200000210301_100009813826 [0,1,0,0,0,1|1,1,0]=4 1599 B12R1.32 N#CCC(=O)Cc1cccnc1 1458a_100000737805_100011214920 [0,1,0,0,0,1|1,0,1]=4 1600 B12R1.32 N#CCC(=O)Cc1cccnc1 1458a_100051588842_100000733263 [0,1,0,0,0,1|1,0,1]=4 1601 B12R1.32 O=C(C=CBr)Cc1cccnc1 1458a_100016273825_100000733263 [0,1,0,0,0,1|1,0,1]=4 1602 B12R1.32 O=C(C=CCl)Cc1cccnc1 1458a_200016279998_100000733263 [0,1,0,0,0,1|1,0,1]=4 1603 B12R1.32 O=C(C=CI)Cc1cccnc1 1458a_100016256311_100000733263 [0,1,0,0,0,1|1,0,1]=4 1604 B12R1.32 O=C(CCF)Cc1cccnc1 1458a_100000737805_100011217306 [0,1,0,0,0,1|1,0,0]=3 1605 B12R1.32 O=C(CCF)Cc1cncnc1 1458a_100000721575_100011217306 [0,1,0,0,0,1|2,0,0]=4 1606 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [0,1,0,0,0,1|2,0,0]=4 1607 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100000737805_100000211926 [0,1,0,0,0,1|1,0,0]=3 1608 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100011216618_100000733263 [0,1,0,0,0,1|1,0,0]=3 1609 B12R1.32 O=C(CCO)Cc1cccnn1 1458a_100011216618_100016990269 [0,1,0,0,0,1|2,0,0]=4 1610 B12R1.32 O=C(CCO)Cc1cnccn1 1458a_100011216618_100016995436 [0,1,0,0,0,1|2,0,0]=4 1611 B12R1.32 O=C(CCO)Cc1cncnc1 1458a_100000721575_100000211926 [0,1,0,0,0,1|2,0,0]=4 1612 B12R1.32 O=C(CCO)Cc1cncnc1 1458a_100011216618_100015196519 [0,1,0,0,0,1|2,0,0]=4 1613 B12R1.32 O=C(CCO)Nc1ccccc1 22a_100000106764_100011216618 [0,1,0,0,0,1|2,0,0]=4 1614 B12R1.32 [13CH3]OCC(=O)Nc1ccccc1 34a_100000246334_200025704644 [0,1,0,0,0,1|1,0,0]=3 1615 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_100000233483_200025704644 [0,1,0,0,0,1|1,1,0]=4 1616 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_200025704644_100000233483 [0,1,0,0,0,1|1,1,0]=4 1617 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_100012148978_200025704644 [0,1,0,0,0,1|1,1,0]=4 1618 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_200025704644_100000182850 [0,1,0,0,0,1|1,1,0]=4 1619 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_100009813826_200025704644 [0,1,0,0,0,1|1,1,0]=4 1620 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_200025704644_100009813826 [0,1,0,0,0,1|1,1,0]=4 1621 B12R1.34 C=C(C(=O)CC)c1ccccc1 1458a_100000065200_100000210202 [0,1,0,0,0,1|2,0,0]=4 1622 B12R1.34 C=C(C(=O)NC)c1ccccc1 1626a_100102657272_100000065200 [0,1,0,0,0,1|2,0,0]=4 1623 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [0,1,0,0,0,1|2,0,0]=4 1624 B12R1.34 CCC(=O)C(C)c1cnccn1 1458a_100000210414_200000703233 [0,1,0,0,0,1|2,0,0]=4 1625 B12R1.34 CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210202 [0,1,0,0,0,1|2,0,0]=4 1626 B12R1.34 CCC(=O)N(C)c1ccccc1 11a_100000210012_100000210414 [0,1,0,0,0,1|2,0,0]=4 1627 B12R1.34 CCC(=O)N(C)c1ccccc1 1626a_100000210012_100000210414 [0,1,0,0,0,1|2,0,0]=4 1628 B12R1.34 CCC(=O)N(C)c1ccccc1 22a_100000210012_100000210414 [0,1,0,0,0,1|2,0,0]=4 1629 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [0,1,0,0,0,1|2,0,0]=4 1630 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [0,1,0,0,0,1|2,0,0]=4 1631 B12R1.34 CNC(=O)C(F)c1ccccc1 11a_106832991635_100000698975 [0,1,0,0,0,1|2,0,0]=4 1632 B12R1.34 CNC(=O)C(F)c1ccccc1 1626a_100102657272_100000698975 [0,1,0,0,0,1|2,0,0]=4 1633 B12R1.34 CNC(=O)C(F)c1ccccc1 240690a_100102657272_100000698975 [0,1,0,0,0,1|2,0,0]=4 1634 B12R1.34 CNC(=O)C(F)c1ccccc1 527a_100102657272_100000698975 [0,1,0,0,0,1|2,0,0]=4 1635 B12R1.34 CNC(=O)N(C)c1ccccc1 512a_106832991638_100000210012 [0,1,0,0,0,1|2,0,0]=4 1636 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [0,1,0,0,0,1|2,0,0]=4 1637 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [0,1,0,0,0,1|2,0,0]=4 1638 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [0,1,0,0,0,1|2,0,0]=4 1639 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [0,1,0,0,0,1|2,0,0]=4 1640 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [0,1,0,0,0,1|2,0,0]=4 1641 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [0,1,0,0,0,1|2,0,0]=4 1642 B12R1.43 C=C(C)C(=O)Cc1cccnc1 1458a_100000185857_100000733263 [0,1,0,0,0,1|1,0,0]=3 1643 B12R1.43 C=C(C)C(=O)Cc1cccnn1 1458a_100000185857_100016990269 [0,1,0,0,0,1|2,0,0]=4 1644 B12R1.43 C=C(C)C(=O)Cc1cnccn1 1458a_100000185857_100016995436 [0,1,0,0,0,1|2,0,0]=4 1645 B12R1.43 C=C(C)C(=O)Cc1cncnc1 1458a_100000185857_100015196519 [0,1,0,0,0,1|2,0,0]=4 1646 B12R1.43 C=C(C)C(=O)Nc1ccccc1 11a_100000106764_100000185857 [0,1,0,0,0,1|2,0,0]=4 1647 B12R1.43 C=C(C)C(=O)Nc1ccccc1 1626a_100000106764_100000185857 [0,1,0,0,0,1|2,0,0]=4 1648 B12R1.43 C=C(C)C(=O)Nc1ccccc1 22a_100000106764_100000185857 [0,1,0,0,0,1|2,0,0]=4 1649 B12R1.43 CC(=O)C(=Cc1cccnc1)F 1458a_100000731744_200000210301 [0,1,0,0,0,1|2,0,0]=4 1650 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,1,0,0,0,1|2,0,0]=4 1651 B12R1.43 CC(C)C(=O)Cc1ccccc1 1458a_100000210198_100015291786 [0,1,0,0,0,1|2,0,0]=4 1652 B12R1.43 CC(C)C(=O)Cc1cccnc1 1458a_100000210198_100000733263 [0,1,0,0,0,1|1,0,0]=3 1653 B12R1.43 CC(C)C(=O)Cc1cccnc1 1458a_100000737805_100000210206 [0,1,0,0,0,1|1,0,0]=3 1654 B12R1.43 CC(C)C(=O)Cc1cccnn1 1458a_100000210198_100016990269 [0,1,0,0,0,1|2,0,0]=4 1655 B12R1.43 CC(C)C(=O)Cc1cnccn1 1458a_100000210198_100016995436 [0,1,0,0,0,1|2,0,0]=4 1656 B12R1.43 CC(C)C(=O)Cc1cncnc1 1458a_100000210198_100015196519 [0,1,0,0,0,1|2,0,0]=4 1657 B12R1.43 CC(C)C(=O)Cc1cncnc1 1458a_100000721575_100000210206 [0,1,0,0,0,1|2,0,0]=4 1658 B12R1.43 CC(C)C(=O)Nc1ccccc1 11a_100000106764_100000210198 [0,1,0,0,0,1|2,0,0]=4 1659 B12R1.43 CC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000210198 [0,1,0,0,0,1|2,0,0]=4 1660 B12R1.43 CC(C)C(=O)Nc1ccccc1 22a_100000106764_100000210198 [0,1,0,0,0,1|2,0,0]=4 1661 B12R1.43 CC(C)C(=O)Nc1ccccc1 527a_100000106764_100000210198 [0,1,0,0,0,1|2,0,0]=4 1662 B12R1.43 CC(F)C(=O)Cc1ccccc1 1458a_100000062450_100015291786 [0,1,0,0,0,1|2,0,0]=4 1663 B12R1.43 CC(F)C(=O)Cc1cccnc1 1458a_100000062450_100000733263 [0,1,0,0,0,1|1,0,0]=3 1664 B12R1.43 CC(F)C(=O)Cc1cccnn1 1458a_100000062450_100016990269 [0,1,0,0,0,1|2,0,0]=4 1665 B12R1.43 CC(F)C(=O)Cc1cnccn1 1458a_100000062450_100016995436 [0,1,0,0,0,1|2,0,0]=4 1666 B12R1.43 CC(F)C(=O)Cc1cncnc1 1458a_100000062450_100015196519 [0,1,0,0,0,1|2,0,0]=4 1667 B12R1.43 CC(F)C(=O)Nc1ccccc1 11a_100000106764_100000062450 [0,1,0,0,0,1|2,0,0]=4 1668 B12R1.43 CC(F)C(=O)Nc1ccccc1 1626a_100000106764_100000062450 [0,1,0,0,0,1|2,0,0]=4 1669 B12R1.43 CC(F)C(=O)Nc1ccccc1 22a_100000106764_100000062450 [0,1,0,0,0,1|2,0,0]=4 1670 B12R1.43 CC(F)C(=O)Nc1ccccc1 527a_100000106764_100000062450 [0,1,0,0,0,1|2,0,0]=4 1671 B12R1.43 CN(C)C(=O)Cc1cccnc1 11a_100102631434_100000737805 [0,1,0,0,0,1|1,0,0]=3 1672 B12R1.43 CN(C)C(=O)Cc1cccnc1 240690a_100102631434_100000737805 [0,1,0,0,0,1|1,0,0]=3 1673 B12R1.43 CN(C)C(=O)Cc1cccnc1 527a_100102631434_100000737805 [0,1,0,0,0,1|1,0,0]=3 1674 B12R1.43 CN(C)C(=O)Cc1cnccn1 11a_100102631434_100000726051 [0,1,0,0,0,1|2,0,0]=4 1675 B12R1.43 CN(C)C(=O)Cc1cnccn1 240690a_100102631434_100000726051 [0,1,0,0,0,1|2,0,0]=4 1676 B12R1.43 CN(C)C(=O)Cc1cnccn1 527a_100102631434_100000726051 [0,1,0,0,0,1|2,0,0]=4 1677 B12R1.43 CN(C)C(=O)Cc1cncnc1 11a_100102631434_100000721575 [0,1,0,0,0,1|2,0,0]=4 1678 B12R1.43 CN(C)C(=O)Cc1cncnc1 240690a_100102631434_100000721575 [0,1,0,0,0,1|2,0,0]=4 1679 B12R1.43 CN(C)C(=O)Cc1cncnc1 527a_100102631434_100000721575 [0,1,0,0,0,1|2,0,0]=4 1680 B12R1.43 CN(C)C(=O)Nc1ccccc1 2430a_100000106764_100102631434 [0,1,0,0,0,1|2,0,0]=4 1681 B12R1.43 C[C@@H](O)C(=O)Cc1ccccc1 1458a_100000717761_100015291786 [0,1,0,0,0,1|2,0,0]=4 1682 B12R1.43 C[C@@H](O)C(=O)Cc1cccnc1 1458a_100000717761_100000733263 [0,1,0,0,0,1|1,0,0]=3 1683 B12R1.43 C[C@@H](O)C(=O)Cc1cccnn1 1458a_100000717761_100016990269 [0,1,0,0,0,1|2,0,0]=4 1684 B12R1.43 C[C@@H](O)C(=O)Cc1cnccn1 1458a_100000717761_100016995436 [0,1,0,0,0,1|2,0,0]=4 1685 B12R1.43 C[C@@H](O)C(=O)Cc1cncnc1 1458a_100000717761_100015196519 [0,1,0,0,0,1|2,0,0]=4 1686 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 22a_100000106764_100000717761 [0,1,0,0,0,1|2,0,0]=4 1687 B12R1.43 C[C@H](O)C(=O)Cc1ccccc1 1458a_217856618621_100015291786 [0,1,0,0,0,1|2,0,0]=4 1688 B12R1.43 C[C@H](O)C(=O)Cc1cccnc1 1458a_217856618621_100000733263 [0,1,0,0,0,1|1,0,0]=3 1689 B12R1.43 C[C@H](O)C(=O)Cc1cccnn1 1458a_217856618621_100016990269 [0,1,0,0,0,1|2,0,0]=4 1690 B12R1.43 C[C@H](O)C(=O)Cc1cnccn1 1458a_217856618621_100016995436 [0,1,0,0,0,1|2,0,0]=4 1691 B12R1.43 C[C@H](O)C(=O)Cc1cncnc1 1458a_217856618621_100015196519 [0,1,0,0,0,1|2,0,0]=4 1692 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 1626a_100000106764_217856618621 [0,1,0,0,0,1|2,0,0]=4 1693 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 22a_100000106764_217856618621 [0,1,0,0,0,1|2,0,0]=4 1694 B12R1.43 O=C(Cc1cccnc1)C(O)O 1458a_100000233687_100000733263 [0,1,0,0,0,1|2,0,0]=4 1695 B12R1.43 [13CH3]C(=O)C(=Cc1cccnc1)F 1458a_100000731744_200025704644 [0,1,0,0,0,1|2,0,0]=4 1696 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,1,0,0,0,1|2,0,0]=4 1697 B12R1.49 C#CC(=O)Cc1ccc(nc1)Br 1458a_100000211873_100009831999 [0,1,0,0,0,1|1,0,1]=4 1698 B12R1.49 C#CC(=O)Cc1ccc(nc1)C 1458a_100000211873_100016987292 [0,1,0,0,0,1|1,0,1]=4 1699 B12R1.49 C#CC(=O)Cc1ccc(nc1)Cl 1458a_100000211873_100000735431 [0,1,0,0,0,1|1,0,1]=4 1700 B12R1.49 C#CC(=O)Cc1ccc(nc1)F 1458a_100000211873_100009820150 [0,1,0,0,0,1|1,0,1]=4 1701 B12R1.49 C=CC(=O)Cc1ccc(nc1)Br 1458a_100000185746_100009831999 [0,1,0,0,0,1|1,0,1]=4 1702 B12R1.49 C=CC(=O)Cc1ccc(nc1)C 1458a_100000185746_100016987292 [0,1,0,0,0,1|1,0,1]=4 1703 B12R1.49 C=CC(=O)Cc1ccc(nc1)Cl 1458a_100000185746_100000735431 [0,1,0,0,0,1|1,0,1]=4 1704 B12R1.49 C=CC(=O)Cc1ccc(nc1)F 1458a_100000185746_100009820150 [0,1,0,0,0,1|1,0,1]=4 1705 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210202 [0,1,0,0,0,1|2,0,0]=4 1706 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000210414_100000189115 [0,1,0,0,0,1|2,0,0]=4 1707 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000210414_100000210814 [0,1,0,0,0,1|2,0,0]=4 1708 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210202 [0,1,0,0,0,1|2,0,0]=4 1709 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210414_100000694040 [0,1,0,0,0,1|2,0,0]=4 1710 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210202 [0,1,0,0,0,1|2,0,0]=4 1711 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210414_100000198546 [0,1,0,0,0,1|2,0,0]=4 1712 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210202 [0,1,0,0,0,1|2,0,0]=4 1713 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000210414_100000189116 [0,1,0,0,0,1|2,0,0]=4 1714 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210202 [0,1,0,0,0,1|2,0,0]=4 1715 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210202 [0,1,0,0,0,1|2,0,0]=4 1716 B12R1.49 CCC(=O)Cc1ccc(nc1)Br 1458a_100000210414_100009831999 [0,1,0,0,0,1|1,0,0]=3 1717 B12R1.49 CCC(=O)Cc1ccc(nc1)Br 1458a_100010067268_100000210202 [0,1,0,0,0,1|1,0,0]=3 1718 B12R1.49 CCC(=O)Cc1ccc(nc1)C 1458a_100000210414_100016987292 [0,1,0,0,0,1|1,0,0]=3 1719 B12R1.49 CCC(=O)Cc1ccc(nc1)C 1458a_100000740413_100000210202 [0,1,0,0,0,1|1,0,0]=3 1720 B12R1.49 CCC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_100000210202 [0,1,0,0,0,1|1,0,0]=3 1721 B12R1.49 CCC(=O)Cc1ccc(nc1)Cl 1458a_100000210414_100000735431 [0,1,0,0,0,1|1,0,0]=3 1722 B12R1.49 CCC(=O)Cc1ccc(nc1)F 1458a_100000210414_100009820150 [0,1,0,0,0,1|1,0,0]=3 1723 B12R1.49 CCC(=O)Cc1ccc(nn1)Cl 1458a_100000210414_100016992710 [0,1,0,0,0,1|2,0,0]=4 1724 B12R1.49 CCC(=O)Cc1cnc(cn1)C 1458a_100000210414_100000752025 [0,1,0,0,0,1|2,0,0]=4 1725 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210414 [0,1,0,0,0,1|2,0,0]=4 1726 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210414 [0,1,0,0,0,1|2,0,0]=4 1727 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210414 [0,1,0,0,0,1|2,0,0]=4 1728 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000210414 [0,1,0,0,0,1|2,0,0]=4 1729 B12R1.49 CCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210414 [0,1,0,0,0,1|2,0,0]=4 1730 B12R1.49 CCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210414 [0,1,0,0,0,1|2,0,0]=4 1731 B12R1.49 CCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210414 [0,1,0,0,0,1|2,0,0]=4 1732 B12R1.49 CCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000210414 [0,1,0,0,0,1|2,0,0]=4 1733 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210414 [0,1,0,0,0,1|2,0,0]=4 1734 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210414 [0,1,0,0,0,1|2,0,0]=4 1735 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210414 [0,1,0,0,0,1|2,0,0]=4 1736 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000210414 [0,1,0,0,0,1|2,0,0]=4 1737 B12R1.49 CCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210414 [0,1,0,0,0,1|2,0,0]=4 1738 B12R1.49 CCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210414 [0,1,0,0,0,1|2,0,0]=4 1739 B12R1.49 CCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210414 [0,1,0,0,0,1|2,0,0]=4 1740 B12R1.49 CCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000210414 [0,1,0,0,0,1|2,0,0]=4 1741 B12R1.49 CCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210414 [0,1,0,0,0,1|2,0,0]=4 1742 B12R1.49 CCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210414 [0,1,0,0,0,1|2,0,0]=4 1743 B12R1.49 CCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210414 [0,1,0,0,0,1|2,0,0]=4 1744 B12R1.49 CCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000210414 [0,1,0,0,0,1|2,0,0]=4 1745 B12R1.49 CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210414 [0,1,0,0,0,1|2,0,0]=4 1746 B12R1.49 CCC(=O)Oc1ccc(cc1)O 271570a_203496583355_200009811598 [0,1,0,0,0,1|2,0,0]=4 1747 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 11a_106832991635_100000198978 [0,1,0,0,0,1|2,0,0]=4 1748 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 240690a_100102657272_100000198978 [0,1,0,0,0,1|2,0,0]=4 1749 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 527a_100102657272_100000198978 [0,1,0,0,0,1|2,0,0]=4 1750 B12R1.49 CNC(=O)Cc1ccc(cc1)C 11a_106832991635_100000212244 [0,1,0,0,0,1|2,0,0]=4 1751 B12R1.49 CNC(=O)Cc1ccc(cc1)C 240690a_100102657272_100000212244 [0,1,0,0,0,1|2,0,0]=4 1752 B12R1.49 CNC(=O)Cc1ccc(cc1)C 527a_100102657272_100000212244 [0,1,0,0,0,1|2,0,0]=4 1753 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 11a_106832991635_100000211027 [0,1,0,0,0,1|2,0,0]=4 1754 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 240690a_100102657272_100000211027 [0,1,0,0,0,1|2,0,0]=4 1755 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 527a_100102657272_100000211027 [0,1,0,0,0,1|2,0,0]=4 1756 B12R1.49 CNC(=O)Cc1ccc(cc1)F 11a_106832991635_100000210951 [0,1,0,0,0,1|2,0,0]=4 1757 B12R1.49 CNC(=O)Cc1ccc(cc1)F 1626a_100102657272_100000210951 [0,1,0,0,0,1|2,0,0]=4 1758 B12R1.49 CNC(=O)Cc1ccc(cc1)F 240690a_100102657272_100000210951 [0,1,0,0,0,1|2,0,0]=4 1759 B12R1.49 CNC(=O)Cc1ccc(cc1)F 527a_100102657272_100000210951 [0,1,0,0,0,1|2,0,0]=4 1760 B12R1.49 CNC(=O)Cc1ccc(cc1)I 11a_106832991635_100000688869 [0,1,0,0,0,1|2,0,0]=4 1761 B12R1.49 CNC(=O)Cc1ccc(cc1)I 1626a_100102657272_100000688869 [0,1,0,0,0,1|2,0,0]=4 1762 B12R1.49 CNC(=O)Cc1ccc(cc1)I 240690a_100102657272_100000688869 [0,1,0,0,0,1|2,0,0]=4 1763 B12R1.49 CNC(=O)Cc1ccc(cc1)I 527a_100102657272_100000688869 [0,1,0,0,0,1|2,0,0]=4 1764 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1626a_100102657272_100000198540 [0,1,0,0,0,1|2,0,0]=4 1765 B12R1.49 CNC(=O)Cc1ccc(cc1)O 240690a_100102657272_100000198540 [0,1,0,0,0,1|2,0,0]=4 1766 B12R1.49 CNC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000155101 [0,1,0,0,0,1|2,0,0]=4 1767 B12R1.49 CNC(=O)Cc1ccc(cc1)O 527a_100102657272_100000198540 [0,1,0,0,0,1|2,0,0]=4 1768 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 11a_106832991635_100010067268 [0,1,0,0,0,1|1,0,0]=3 1769 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 240690a_100102657272_100010067268 [0,1,0,0,0,1|1,0,0]=3 1770 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 527a_100102657272_100010067268 [0,1,0,0,0,1|1,0,0]=3 1771 B12R1.49 CNC(=O)Cc1ccc(nc1)C 11a_106832991635_100000740413 [0,1,0,0,0,1|1,0,0]=3 1772 B12R1.49 CNC(=O)Cc1ccc(nc1)C 1626a_100102657272_100000740413 [0,1,0,0,0,1|1,0,0]=3 1773 B12R1.49 CNC(=O)Cc1ccc(nc1)C 240690a_100102657272_100000740413 [0,1,0,0,0,1|1,0,0]=3 1774 B12R1.49 CNC(=O)Cc1ccc(nc1)C 527a_100102657272_100000740413 [0,1,0,0,0,1|1,0,0]=3 1775 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 11a_106832991635_100000061944 [0,1,0,0,0,1|1,0,0]=3 1776 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 1626a_100102657272_100000061944 [0,1,0,0,0,1|1,0,0]=3 1777 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 240690a_100102657272_100000061944 [0,1,0,0,0,1|1,0,0]=3 1778 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 527a_100102657272_100000061944 [0,1,0,0,0,1|1,0,0]=3 1779 B12R1.49 CNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100102657272 [0,1,0,0,0,1|2,0,0]=4 1780 B12R1.49 CNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100102657272 [0,1,0,0,0,1|2,0,0]=4 1781 B12R1.49 CNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100102657272 [0,1,0,0,0,1|2,0,0]=4 1782 B12R1.49 CNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100102657272 [0,1,0,0,0,1|2,0,0]=4 1783 B12R1.49 CNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100102657272 [0,1,0,0,0,1|2,0,0]=4 1784 B12R1.49 CNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100102657272 [0,1,0,0,0,1|2,0,0]=4 1785 B12R1.49 COC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000149743 [0,1,0,0,0,1|1,0,0]=3 1786 B12R1.49 COC(=O)Cc1ccc(cn1)O 271570a_203496583355_100012362609 [0,1,0,0,0,1|2,0,0]=4 1787 B12R1.49 COC(=O)Cc1ccc(nc1)O 271570a_203496583355_100000071674 [0,1,0,0,0,1|0,0,0]=2 1788 B12R1.49 COC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000181880 [0,1,0,0,0,1|1,0,0]=3 1789 B12R1.49 COC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000188976 [0,1,0,0,0,1|2,0,0]=4 1790 B12R1.49 COC(C)Sc1ccc(nc1)Br 62a_100009814638_100009879195 [0,1,0,0,0,1|1,0,1]=4 1791 B12R1.49 COC(C)Sc1ccc(nc1)Br 62a_100009879195_100009814638 [0,1,0,0,0,1|1,0,1]=4 1792 B12R1.49 COC(C)Sc1ccc(nc1)C 62a_100000751577_100009879195 [0,1,0,0,0,1|1,0,1]=4 1793 B12R1.49 COC(C)Sc1ccc(nc1)C 62a_100009879195_100000751577 [0,1,0,0,0,1|1,0,1]=4 1794 B12R1.49 COC(C)Sc1ccc(nc1)Cl 62a_100000034144_100009879195 [0,1,0,0,0,1|1,0,1]=4 1795 B12R1.49 COC(C)Sc1ccc(nc1)Cl 62a_100009879195_100000034144 [0,1,0,0,0,1|1,0,1]=4 1796 B12R1.49 COC(C)Sc1ccc(nc1)F 62a_100000042367_100009879195 [0,1,0,0,0,1|1,0,1]=4 1797 B12R1.49 COC(C)Sc1ccc(nc1)F 62a_100009879195_100000042367 [0,1,0,0,0,1|1,0,1]=4 1798 B12R1.49 COC(C)Sc1ccc(nc1)N 62a_100000187370_100009879195 [0,1,0,0,0,1|1,0,1]=4 1799 B12R1.49 COC(C)Sc1ccc(nc1)N 62a_100009879195_100000187370 [0,1,0,0,0,1|1,0,1]=4 1800 B12R1.49 Cc1ccc(cn1)CC(=O)CF 1458a_100000740413_100015361967 [0,1,0,0,0,1|2,0,0]=4 1801 B12R1.49 Cc1ccc(cn1)CC(=O)CO 1458a_100000210174_100016987292 [0,1,0,0,0,1|2,0,0]=4 1802 B12R1.49 O=C(CF)Cc1ccc(nc1)Br 1458a_100010067268_100015361967 [0,1,0,0,0,1|2,0,0]=4 1803 B12R1.49 O=C(CF)Cc1ccc(nc1)Cl 1458a_100000061944_100015361967 [0,1,0,0,0,1|2,0,0]=4 1804 B12R1.49 O=C(CO)Cc1ccc(nc1)Br 1458a_100000210174_100009831999 [0,1,0,0,0,1|2,0,0]=4 1805 B12R1.49 O=C(CO)Cc1ccc(nc1)Cl 1458a_100000210174_100000735431 [0,1,0,0,0,1|2,0,0]=4 1806 B12R1.49 O=C(CO)Cc1ccc(nc1)F 1458a_100000210174_100009820150 [0,1,0,0,0,1|2,0,0]=4 1807 B12R1.50 C#CC(=O)Cc1cncc(c1)Br 1458a_100000211873_100011740620 [0,1,0,0,0,1|1,0,1]=4 1808 B12R1.50 C#CC(=O)Cc1cncc(c1)C 1458a_100000211873_100000716715 [0,1,0,0,0,1|1,0,1]=4 1809 B12R1.50 C#CC(=O)Cc1cncc(c1)Cl 1458a_100000211873_100016992070 [0,1,0,0,0,1|1,0,1]=4 1810 B12R1.50 C#CC(=O)Cc1cncc(c1)F 1458a_100000211873_100000725299 [0,1,0,0,0,1|1,0,1]=4 1811 B12R1.50 C=CC(=O)Cc1cncc(c1)Br 1458a_100000185746_100011740620 [0,1,0,0,0,1|1,0,1]=4 1812 B12R1.50 C=CC(=O)Cc1cncc(c1)C 1458a_100000185746_100000716715 [0,1,0,0,0,1|1,0,1]=4 1813 B12R1.50 C=CC(=O)Cc1cncc(c1)Cl 1458a_100000185746_100016992070 [0,1,0,0,0,1|1,0,1]=4 1814 B12R1.50 C=CC(=O)Cc1cncc(c1)F 1458a_100000185746_100000725299 [0,1,0,0,0,1|1,0,1]=4 1815 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000210414_100000211773 [0,1,0,0,0,1|2,0,0]=4 1816 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210202 [0,1,0,0,0,1|2,0,0]=4 1817 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100000210414_100000211840 [0,1,0,0,0,1|2,0,0]=4 1818 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210202 [0,1,0,0,0,1|2,0,0]=4 1819 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000210414_100000181238 [0,1,0,0,0,1|2,0,0]=4 1820 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210202 [0,1,0,0,0,1|2,0,0]=4 1821 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000210414_100000230114 [0,1,0,0,0,1|2,0,0]=4 1822 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210202 [0,1,0,0,0,1|2,0,0]=4 1823 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000210414_100011218688 [0,1,0,0,0,1|2,0,0]=4 1824 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210202 [0,1,0,0,0,1|2,0,0]=4 1825 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000210414_100011660834 [0,1,0,0,0,1|2,0,0]=4 1826 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210202 [0,1,0,0,0,1|2,0,0]=4 1827 B12R1.50 CCC(=O)Cc1cncc(c1)Br 1458a_100000210414_100011740620 [0,1,0,0,0,1|1,0,0]=3 1828 B12R1.50 CCC(=O)Cc1cncc(c1)Br 1458a_100000239331_100000210202 [0,1,0,0,0,1|1,0,0]=3 1829 B12R1.50 CCC(=O)Cc1cncc(c1)C 1458a_100000210414_100000716715 [0,1,0,0,0,1|1,0,0]=3 1830 B12R1.50 CCC(=O)Cc1cncc(c1)Cl 1458a_100000210414_100016992070 [0,1,0,0,0,1|1,0,0]=3 1831 B12R1.50 CCC(=O)Cc1cncc(c1)F 1458a_100000210414_100000725299 [0,1,0,0,0,1|1,0,0]=3 1832 B12R1.50 CCC(=O)Cc1cncc(c1)F 1458a_100011667516_100000210202 [0,1,0,0,0,1|1,0,0]=3 1833 B12R1.50 CCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000210414 [0,1,0,0,0,1|2,0,0]=4 1834 B12R1.50 CCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000210414 [0,1,0,0,0,1|2,0,0]=4 1835 B12R1.50 CCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000210414 [0,1,0,0,0,1|2,0,0]=4 1836 B12R1.50 CCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000210414 [0,1,0,0,0,1|2,0,0]=4 1837 B12R1.50 CCC(=O)Nc1cccc(c1)C 11a_100000188690_100000210414 [0,1,0,0,0,1|2,0,0]=4 1838 B12R1.50 CCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210414 [0,1,0,0,0,1|2,0,0]=4 1839 B12R1.50 CCC(=O)Nc1cccc(c1)C 22a_100000188690_100000210414 [0,1,0,0,0,1|2,0,0]=4 1840 B12R1.50 CCC(=O)Nc1cccc(c1)C 527a_100000188690_100000210414 [0,1,0,0,0,1|2,0,0]=4 1841 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000210414 [0,1,0,0,0,1|2,0,0]=4 1842 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000210414 [0,1,0,0,0,1|2,0,0]=4 1843 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000210414 [0,1,0,0,0,1|2,0,0]=4 1844 B12R1.50 CCC(=O)Nc1cccc(c1)F 11a_100000210047_100000210414 [0,1,0,0,0,1|2,0,0]=4 1845 B12R1.50 CCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000210414 [0,1,0,0,0,1|2,0,0]=4 1846 B12R1.50 CCC(=O)Nc1cccc(c1)F 22a_100000210047_100000210414 [0,1,0,0,0,1|2,0,0]=4 1847 B12R1.50 CCC(=O)Nc1cccc(c1)F 527a_100000210047_100000210414 [0,1,0,0,0,1|2,0,0]=4 1848 B12R1.50 CCC(=O)Nc1cccc(c1)I 11a_100000211102_100000210414 [0,1,0,0,0,1|2,0,0]=4 1849 B12R1.50 CCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000210414 [0,1,0,0,0,1|2,0,0]=4 1850 B12R1.50 CCC(=O)Nc1cccc(c1)I 22a_100000211102_100000210414 [0,1,0,0,0,1|2,0,0]=4 1851 B12R1.50 CCC(=O)Nc1cccc(c1)I 527a_100000211102_100000210414 [0,1,0,0,0,1|2,0,0]=4 1852 B12R1.50 CCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210414 [0,1,0,0,0,1|2,0,0]=4 1853 B12R1.50 CCC(=O)Nc1cccc(c1)O 22a_100000210217_100000210414 [0,1,0,0,0,1|2,0,0]=4 1854 B12R1.50 CCC(=O)Nc1cccc(c1)O 527a_100000210217_100000210414 [0,1,0,0,0,1|2,0,0]=4 1855 B12R1.50 CNC(=O)Cc1cccc(c1)Br 11a_106832991635_100000747190 [0,1,0,0,0,1|2,0,0]=4 1856 B12R1.50 CNC(=O)Cc1cccc(c1)Br 240690a_100102657272_100000747190 [0,1,0,0,0,1|2,0,0]=4 1857 B12R1.50 CNC(=O)Cc1cccc(c1)Br 527a_100102657272_100000747190 [0,1,0,0,0,1|2,0,0]=4 1858 B12R1.50 CNC(=O)Cc1cccc(c1)C 11a_106832991635_100011206899 [0,1,0,0,0,1|2,0,0]=4 1859 B12R1.50 CNC(=O)Cc1cccc(c1)C 1626a_100102657272_100011206899 [0,1,0,0,0,1|2,0,0]=4 1860 B12R1.50 CNC(=O)Cc1cccc(c1)C 240690a_100102657272_100011206899 [0,1,0,0,0,1|2,0,0]=4 1861 B12R1.50 CNC(=O)Cc1cccc(c1)C 527a_100102657272_100011206899 [0,1,0,0,0,1|2,0,0]=4 1862 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 11a_106832991635_100000749307 [0,1,0,0,0,1|2,0,0]=4 1863 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 1626a_100102657272_100000749307 [0,1,0,0,0,1|2,0,0]=4 1864 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 240690a_100102657272_100000749307 [0,1,0,0,0,1|2,0,0]=4 1865 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 527a_100102657272_100000749307 [0,1,0,0,0,1|2,0,0]=4 1866 B12R1.50 CNC(=O)Cc1cccc(c1)F 11a_106832991635_100000211661 [0,1,0,0,0,1|2,0,0]=4 1867 B12R1.50 CNC(=O)Cc1cccc(c1)F 1626a_100102657272_100000211661 [0,1,0,0,0,1|2,0,0]=4 1868 B12R1.50 CNC(=O)Cc1cccc(c1)F 240690a_100102657272_100000211661 [0,1,0,0,0,1|2,0,0]=4 1869 B12R1.50 CNC(=O)Cc1cccc(c1)F 527a_100102657272_100000211661 [0,1,0,0,0,1|2,0,0]=4 1870 B12R1.50 CNC(=O)Cc1cccc(c1)I 11a_106832991635_100000238430 [0,1,0,0,0,1|2,0,0]=4 1871 B12R1.50 CNC(=O)Cc1cccc(c1)I 1626a_100102657272_100000238430 [0,1,0,0,0,1|2,0,0]=4 1872 B12R1.50 CNC(=O)Cc1cccc(c1)I 240690a_100102657272_100000238430 [0,1,0,0,0,1|2,0,0]=4 1873 B12R1.50 CNC(=O)Cc1cccc(c1)I 527a_100102657272_100000238430 [0,1,0,0,0,1|2,0,0]=4 1874 B12R1.50 CNC(=O)Cc1cccc(c1)O 240690a_100102657272_100000745134 [0,1,0,0,0,1|2,0,0]=4 1875 B12R1.50 CNC(=O)Cc1cccc(c1)O 527a_100102657272_100000745134 [0,1,0,0,0,1|2,0,0]=4 1876 B12R1.50 CNC(=O)Cc1cncc(c1)Br 11a_106832991635_100000239331 [0,1,0,0,0,1|1,0,0]=3 1877 B12R1.50 CNC(=O)Cc1cncc(c1)Br 240690a_100102657272_100000239331 [0,1,0,0,0,1|1,0,0]=3 1878 B12R1.50 CNC(=O)Cc1cncc(c1)Br 527a_100102657272_100000239331 [0,1,0,0,0,1|1,0,0]=3 1879 B12R1.50 CNC(=O)Cc1cncc(c1)F 11a_106832991635_100011667516 [0,1,0,0,0,1|1,0,0]=3 1880 B12R1.50 CNC(=O)Cc1cncc(c1)F 240690a_100102657272_100011667516 [0,1,0,0,0,1|1,0,0]=3 1881 B12R1.50 CNC(=O)Cc1cncc(c1)F 527a_100102657272_100011667516 [0,1,0,0,0,1|1,0,0]=3 1882 B12R1.50 CNC(=O)Cc1cncc(n1)Cl 11a_106832991635_100000095580 [0,1,0,0,0,1|2,0,0]=4 1883 B12R1.50 CNC(=O)Cc1cncc(n1)Cl 1626a_100102657272_100000095580 [0,1,0,0,0,1|2,0,0]=4 1884 B12R1.50 CNC(=O)Cc1cncc(n1)Cl 240690a_100102657272_100000095580 [0,1,0,0,0,1|2,0,0]=4 1885 B12R1.50 CNC(=O)Cc1cncc(n1)Cl 527a_100102657272_100000095580 [0,1,0,0,0,1|2,0,0]=4 1886 B12R1.50 CNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100102657272 [0,1,0,0,0,1|2,0,0]=4 1887 B12R1.50 CNC(=O)Nc1cccc(c1)Br 512a_100000210019_100102657272 [0,1,0,0,0,1|2,0,0]=4 1888 B12R1.50 CNC(=O)Nc1cccc(c1)C 2430a_100000188690_100102657272 [0,1,0,0,0,1|2,0,0]=4 1889 B12R1.50 CNC(=O)Nc1cccc(c1)C 512a_100000188690_100102657272 [0,1,0,0,0,1|2,0,0]=4 1890 B12R1.50 CNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100102657272 [0,1,0,0,0,1|2,0,0]=4 1891 B12R1.50 CNC(=O)Nc1cccc(c1)F 2430a_100000210047_100102657272 [0,1,0,0,0,1|2,0,0]=4 1892 B12R1.50 CNC(=O)Nc1cccc(c1)F 512a_100000210047_100102657272 [0,1,0,0,0,1|2,0,0]=4 1893 B12R1.50 CNC(=O)Nc1cccc(c1)I 2430a_100000211102_100102657272 [0,1,0,0,0,1|2,0,0]=4 1894 B12R1.50 CNC(=O)Nc1cccc(c1)I 512a_100000211102_100102657272 [0,1,0,0,0,1|2,0,0]=4 1895 B12R1.50 CNC(=O)Nc1cccc(c1)O 2430a_100000210217_100102657272 [0,1,0,0,0,1|2,0,0]=4 1896 B12R1.50 CNC(=O)Nc1cccc(c1)O 512a_100000210217_100102657272 [0,1,0,0,0,1|2,0,0]=4 1897 B12R1.50 COC(=O)Cc1cc(ccn1)O 271570a_203496583355_100010275543 [0,1,0,0,0,1|2,0,0]=4 1898 B12R1.50 COC(=O)Cc1cccc(c1)O 271570a_203496583355_100000699549 [0,1,0,0,0,1|1,0,0]=3 1899 B12R1.50 COC(=O)Cc1cccc(n1)O 271570a_203496583355_100000094215 [0,1,0,0,0,1|2,0,0]=4 1900 B12R1.50 COC(=O)Cc1ccnc(c1)O 271570a_203496583355_100010135589 [0,1,0,0,0,1|2,0,0]=4 1901 B12R1.50 COC(C)Sc1cncc(c1)Br 62a_100000728054_100009879195 [0,1,0,0,0,1|1,0,1]=4 1902 B12R1.50 COC(C)Sc1cncc(c1)Br 62a_100009879195_100000728054 [0,1,0,0,0,1|1,0,1]=4 1903 B12R1.50 COC(C)Sc1cncc(c1)C 62a_100000760492_100009879195 [0,1,0,0,0,1|1,0,1]=4 1904 B12R1.50 COC(C)Sc1cncc(c1)C 62a_100009879195_100000760492 [0,1,0,0,0,1|1,0,1]=4 1905 B12R1.50 COC(C)Sc1cncc(c1)Cl 62a_100000049639_100009879195 [0,1,0,0,0,1|1,0,1]=4 1906 B12R1.50 COC(C)Sc1cncc(c1)Cl 62a_100009879195_100000049639 [0,1,0,0,0,1|1,0,1]=4 1907 B12R1.50 COC(C)Sc1cncc(c1)F 62a_100000744099_100009879195 [0,1,0,0,0,1|1,0,1]=4 1908 B12R1.50 COC(C)Sc1cncc(c1)F 62a_100009879195_100000744099 [0,1,0,0,0,1|1,0,1]=4 1909 B12R1.50 COC(C)Sc1cncc(c1)N 62a_100000687067_100009879195 [0,1,0,0,0,1|1,0,1]=4 1910 B12R1.50 COC(C)Sc1cncc(c1)N 62a_100009879195_100000687067 [0,1,0,0,0,1|1,0,1]=4 1911 B12R1.50 COC(C)Sc1cncc(c1)O 62a_100000754920_100009879195 [0,1,0,0,0,1|1,0,1]=4 1912 B12R1.50 COC(C)Sc1cncc(c1)O 62a_100009879195_100000754920 [0,1,0,0,0,1|1,0,1]=4 1913 B12R1.50 Cc1cncc(c1)CC(=O)CO 1458a_100000210174_100000716715 [0,1,0,0,0,1|2,0,0]=4 1914 B12R1.50 O=C(CF)Cc1cncc(c1)Br 1458a_100000239331_100015361967 [0,1,0,0,0,1|2,0,0]=4 1915 B12R1.50 O=C(CF)Cc1cncc(c1)F 1458a_100011667516_100015361967 [0,1,0,0,0,1|2,0,0]=4 1916 B12R1.50 O=C(CO)Cc1cncc(c1)Br 1458a_100000210174_100011740620 [0,1,0,0,0,1|2,0,0]=4 1917 B12R1.50 O=C(CO)Cc1cncc(c1)Cl 1458a_100000210174_100016992070 [0,1,0,0,0,1|2,0,0]=4 1918 B12R1.50 O=C(CO)Cc1cncc(c1)F 1458a_100000210174_100000725299 [0,1,0,0,0,1|2,0,0]=4 1919 B12R1.371 C#CC(=O)Cc1cccnc1Br 1458a_100000211873_100010140945 [0,1,0,0,0,1|1,0,1]=4 1920 B12R1.371 C#CC(=O)Cc1cccnc1C 1458a_100000211873_100000732876 [0,1,0,0,0,1|1,0,1]=4 1921 B12R1.371 C#CC(=O)Cc1cccnc1Cl 1458a_100000211873_100000045678 [0,1,0,0,0,1|1,0,1]=4 1922 B12R1.371 C#CC(=O)Cc1cccnc1F 1458a_100000211873_100000099810 [0,1,0,0,0,1|1,0,1]=4 1923 B12R1.371 C#CC(=O)Cc1cnccc1C 1458a_100000211873_100000690890 [0,1,0,0,0,1|1,0,1]=4 1924 B12R1.371 C=CC(=O)Cc1cccnc1Br 1458a_100000185746_100010140945 [0,1,0,0,0,1|1,0,1]=4 1925 B12R1.371 C=CC(=O)Cc1cccnc1C 1458a_100000185746_100000732876 [0,1,0,0,0,1|1,0,1]=4 1926 B12R1.371 C=CC(=O)Cc1cccnc1Cl 1458a_100000185746_100000045678 [0,1,0,0,0,1|1,0,1]=4 1927 B12R1.371 C=CC(=O)Cc1cccnc1F 1458a_100000185746_100000099810 [0,1,0,0,0,1|1,0,1]=4 1928 B12R1.371 C=CC(=O)Cc1cnccc1C 1458a_100000185746_100000690890 [0,1,0,0,0,1|1,0,1]=4 1929 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000210414_100000184730 [0,1,0,0,0,1|2,0,0]=4 1930 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210202 [0,1,0,0,0,1|2,0,0]=4 1931 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000210414_100000211839 [0,1,0,0,0,1|2,0,0]=4 1932 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000212180_100000210202 [0,1,0,0,0,1|2,0,0]=4 1933 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210202 [0,1,0,0,0,1|2,0,0]=4 1934 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000210414_100000187162 [0,1,0,0,0,1|2,0,0]=4 1935 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000210414_100000187165 [0,1,0,0,0,1|2,0,0]=4 1936 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000212012_100000210202 [0,1,0,0,0,1|2,0,0]=4 1937 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000036491_100000210202 [0,1,0,0,0,1|2,0,0]=4 1938 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000210414_100011216222 [0,1,0,0,0,1|2,0,0]=4 1939 B12R1.371 CCC(=O)Cc1ccccc1O 1458a_100000743006_100000210202 [0,1,0,0,0,1|2,0,0]=4 1940 B12R1.371 CCC(=O)Cc1cccnc1Br 1458a_100000210414_100010140945 [0,1,0,0,0,1|1,0,0]=3 1941 B12R1.371 CCC(=O)Cc1cccnc1C 1458a_100000210414_100000732876 [0,1,0,0,0,1|1,0,0]=3 1942 B12R1.371 CCC(=O)Cc1cccnc1Cl 1458a_100000093521_100000210202 [0,1,0,0,0,1|1,0,0]=3 1943 B12R1.371 CCC(=O)Cc1cccnc1Cl 1458a_100000210414_100000045678 [0,1,0,0,0,1|1,0,0]=3 1944 B12R1.371 CCC(=O)Cc1cccnc1F 1458a_100000210414_100000099810 [0,1,0,0,0,1|1,0,0]=3 1945 B12R1.371 CCC(=O)Cc1cnccc1C 1458a_100000210414_100000690890 [0,1,0,0,0,1|1,0,0]=3 1946 B12R1.371 CCC(=O)Cn1cccnc1=O 1458a_100000738077_100000210202 [0,1,0,0,0,1|2,0,0]=4 1947 B12R1.371 CCC(=O)Nc1ccccc1Br 11a_100000210017_100000210414 [0,1,0,0,0,1|2,0,0]=4 1948 B12R1.371 CCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210414 [0,1,0,0,0,1|2,0,0]=4 1949 B12R1.371 CCC(=O)Nc1ccccc1C 11a_100015192222_100000210414 [0,1,0,0,0,1|2,0,0]=4 1950 B12R1.371 CCC(=O)Nc1ccccc1C 1626a_100015192222_100000210414 [0,1,0,0,0,1|2,0,0]=4 1951 B12R1.371 CCC(=O)Nc1ccccc1C 22a_100015192222_100000210414 [0,1,0,0,0,1|2,0,0]=4 1952 B12R1.371 CCC(=O)Nc1ccccc1C 527a_100015192222_100000210414 [0,1,0,0,0,1|2,0,0]=4 1953 B12R1.371 CCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210414 [0,1,0,0,0,1|2,0,0]=4 1954 B12R1.371 CCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210414 [0,1,0,0,0,1|2,0,0]=4 1955 B12R1.371 CCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210414 [0,1,0,0,0,1|2,0,0]=4 1956 B12R1.371 CCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210414 [0,1,0,0,0,1|2,0,0]=4 1957 B12R1.371 CCC(=O)Nc1ccccc1F 11a_100000210422_100000210414 [0,1,0,0,0,1|2,0,0]=4 1958 B12R1.371 CCC(=O)Nc1ccccc1F 1626a_100000210422_100000210414 [0,1,0,0,0,1|2,0,0]=4 1959 B12R1.371 CCC(=O)Nc1ccccc1F 22a_100000210422_100000210414 [0,1,0,0,0,1|2,0,0]=4 1960 B12R1.371 CCC(=O)Nc1ccccc1F 527a_100000210422_100000210414 [0,1,0,0,0,1|2,0,0]=4 1961 B12R1.371 CCC(=O)Nc1ccccc1I 11a_100000210053_100000210414 [0,1,0,0,0,1|2,0,0]=4 1962 B12R1.371 CCC(=O)Nc1ccccc1I 1626a_100000210053_100000210414 [0,1,0,0,0,1|2,0,0]=4 1963 B12R1.371 CCC(=O)Nc1ccccc1O 22a_100000185747_100000210414 [0,1,0,0,0,1|2,0,0]=4 1964 B12R1.371 CCC(=O)Nc1ccccc1O 271570a_203496583355_100000153536 [0,1,0,0,0,1|2,0,0]=4 1965 B12R1.371 CCC(=O)Nc1ccccc1O 527a_100000185747_100000210414 [0,1,0,0,0,1|2,0,0]=4 1966 B12R1.371 CNC(=O)Cc1ccccc1Br 11a_106832991635_100000751119 [0,1,0,0,0,1|2,0,0]=4 1967 B12R1.371 CNC(=O)Cc1ccccc1Br 240690a_100102657272_100000751119 [0,1,0,0,0,1|2,0,0]=4 1968 B12R1.371 CNC(=O)Cc1ccccc1Br 527a_100102657272_100000751119 [0,1,0,0,0,1|2,0,0]=4 1969 B12R1.371 CNC(=O)Cc1ccccc1C 11a_106832991635_100000212180 [0,1,0,0,0,1|2,0,0]=4 1970 B12R1.371 CNC(=O)Cc1ccccc1C 1626a_100102657272_100000212180 [0,1,0,0,0,1|2,0,0]=4 1971 B12R1.371 CNC(=O)Cc1ccccc1C 240690a_100102657272_100000212180 [0,1,0,0,0,1|2,0,0]=4 1972 B12R1.371 CNC(=O)Cc1ccccc1C 527a_100102657272_100000212180 [0,1,0,0,0,1|2,0,0]=4 1973 B12R1.371 CNC(=O)Cc1ccccc1Cl 11a_106832991635_100000183793 [0,1,0,0,0,1|2,0,0]=4 1974 B12R1.371 CNC(=O)Cc1ccccc1Cl 1626a_100102657272_100000183793 [0,1,0,0,0,1|2,0,0]=4 1975 B12R1.371 CNC(=O)Cc1ccccc1Cl 240690a_100102657272_100000183793 [0,1,0,0,0,1|2,0,0]=4 1976 B12R1.371 CNC(=O)Cc1ccccc1Cl 527a_100102657272_100000183793 [0,1,0,0,0,1|2,0,0]=4 1977 B12R1.371 CNC(=O)Cc1ccccc1F 11a_106832991635_100000212012 [0,1,0,0,0,1|2,0,0]=4 1978 B12R1.371 CNC(=O)Cc1ccccc1F 1626a_100102657272_100000212012 [0,1,0,0,0,1|2,0,0]=4 1979 B12R1.371 CNC(=O)Cc1ccccc1F 240690a_100102657272_100000212012 [0,1,0,0,0,1|2,0,0]=4 1980 B12R1.371 CNC(=O)Cc1ccccc1F 527a_100102657272_100000212012 [0,1,0,0,0,1|2,0,0]=4 1981 B12R1.371 CNC(=O)Cc1ccccc1I 11a_106832991635_100000036491 [0,1,0,0,0,1|2,0,0]=4 1982 B12R1.371 CNC(=O)Cc1ccccc1I 1626a_100102657272_100000036491 [0,1,0,0,0,1|2,0,0]=4 1983 B12R1.371 CNC(=O)Cc1ccccc1I 240690a_100102657272_100000036491 [0,1,0,0,0,1|2,0,0]=4 1984 B12R1.371 CNC(=O)Cc1ccccc1I 527a_100102657272_100000036491 [0,1,0,0,0,1|2,0,0]=4 1985 B12R1.371 CNC(=O)Cc1ccccc1O 240690a_100102657272_100000743006 [0,1,0,0,0,1|2,0,0]=4 1986 B12R1.371 CNC(=O)Cc1ccccc1O 271570a_203496583355_200009816160 [0,1,0,0,0,1|2,0,0]=4 1987 B12R1.371 CNC(=O)Cc1ccccc1O 527a_100102657272_100000743006 [0,1,0,0,0,1|2,0,0]=4 1988 B12R1.371 CNC(=O)Cc1cccnc1Cl 11a_106832991635_100000093521 [0,1,0,0,0,1|1,0,0]=3 1989 B12R1.371 CNC(=O)Cc1cccnc1Cl 1626a_100102657272_100000093521 [0,1,0,0,0,1|1,0,0]=3 1990 B12R1.371 CNC(=O)Cc1cccnc1Cl 240690a_100102657272_100000093521 [0,1,0,0,0,1|1,0,0]=3 1991 B12R1.371 CNC(=O)Cc1cccnc1Cl 527a_100102657272_100000093521 [0,1,0,0,0,1|1,0,0]=3 1992 B12R1.371 CNC(=O)Cn1cccnc1=O 1626a_100102657272_100000738077 [0,1,0,0,0,1|2,0,0]=4 1993 B12R1.371 CNC(=O)Cn1cccnc1=O 240690a_100102657272_100000738077 [0,1,0,0,0,1|2,0,0]=4 1994 B12R1.371 CNC(=O)Nc1ccccc1Br 2430a_100000210017_100102657272 [0,1,0,0,0,1|2,0,0]=4 1995 B12R1.371 CNC(=O)Nc1ccccc1C 2430a_100015192222_100102657272 [0,1,0,0,0,1|2,0,0]=4 1996 B12R1.371 CNC(=O)Nc1ccccc1Cl 2430a_100000185783_100102657272 [0,1,0,0,0,1|2,0,0]=4 1997 B12R1.371 CNC(=O)Nc1ccccc1F 2430a_100000210422_100102657272 [0,1,0,0,0,1|2,0,0]=4 1998 B12R1.371 CNC(=O)Nc1ccccc1I 2430a_100000210053_100102657272 [0,1,0,0,0,1|2,0,0]=4 1999 B12R1.371 CNC(=O)Nc1ccccc1O 2430a_100000185747_100102657272 [0,1,0,0,0,1|2,0,0]=4 2000 B12R1.371 COC(=O)Cc1ccccc1O 271570a_203496583355_100000699816 [0,1,0,0,0,1|1,0,0]=3 2001 B12R1.371 COC(=O)Cc1cccnc1O 271570a_203496583355_100010293180 [0,1,0,0,0,1|0,0,0]=2 2002 B12R1.371 COC(=O)Cc1ncccc1O 271570a_203496583355_100012347948 [0,1,0,0,0,1|2,0,0]=4 2003 B12R1.371 COC(=O)Nc1ccccc1O 271570a_203496583355_100000216184 [0,1,0,0,0,1|1,0,0]=3 2004 B12R1.371 COC(C)Sc1cccnc1Br 62a_100009879195_100010202626 [0,1,0,0,0,1|1,0,1]=4 2005 B12R1.371 COC(C)Sc1cccnc1Br 62a_100010202626_100009879195 [0,1,0,0,0,1|1,0,1]=4 2006 B12R1.371 COC(C)Sc1cccnc1C 62a_100000751574_100009879195 [0,1,0,0,0,1|1,0,1]=4 2007 B12R1.371 COC(C)Sc1cccnc1C 62a_100009879195_100000751574 [0,1,0,0,0,1|1,0,1]=4 2008 B12R1.371 COC(C)Sc1cccnc1Cl 62a_100000036424_100009879195 [0,1,0,0,0,1|1,0,1]=4 2009 B12R1.371 COC(C)Sc1cccnc1Cl 62a_100009879195_100000036424 [0,1,0,0,0,1|1,0,1]=4 2010 B12R1.371 COC(C)Sc1cccnc1F 62a_100009816115_100009879195 [0,1,0,0,0,1|1,0,1]=4 2011 B12R1.371 COC(C)Sc1cccnc1F 62a_100009879195_100009816115 [0,1,0,0,0,1|1,0,1]=4 2012 B12R1.371 COC(C)Sc1cccnc1N 62a_100000045569_100009879195 [0,1,0,0,0,1|1,0,1]=4 2013 B12R1.371 COC(C)Sc1cccnc1N 62a_100009879195_100000045569 [0,1,0,0,0,1|1,0,1]=4 2014 B12R1.371 COC(C)Sc1cccnc1O 62a_100000760158_100009879195 [0,1,0,0,0,1|1,0,1]=4 2015 B12R1.371 COC(C)Sc1cccnc1O 62a_100009879195_100000760158 [0,1,0,0,0,1|1,0,1]=4 2016 B12R1.371 COC(C)Sc1cnccc1Br 62a_100009879195_100010138639 [0,1,0,0,0,1|1,0,1]=4 2017 B12R1.371 COC(C)Sc1cnccc1Br 62a_100010138639_100009879195 [0,1,0,0,0,1|1,0,1]=4 2018 B12R1.371 COC(C)Sc1cnccc1C 62a_100000761580_100009879195 [0,1,0,0,0,1|1,0,1]=4 2019 B12R1.371 COC(C)Sc1cnccc1C 62a_100009879195_100000761580 [0,1,0,0,0,1|1,0,1]=4 2020 B12R1.371 COC(C)Sc1cnccc1Cl 62a_100009879195_100009995489 [0,1,0,0,0,1|1,0,1]=4 2021 B12R1.371 COC(C)Sc1cnccc1Cl 62a_100009995489_100009879195 [0,1,0,0,0,1|1,0,1]=4 2022 B12R1.371 COC(C)Sc1cnccc1F 62a_100009820683_100009879195 [0,1,0,0,0,1|1,0,1]=4 2023 B12R1.371 COC(C)Sc1cnccc1F 62a_100009879195_100009820683 [0,1,0,0,0,1|1,0,1]=4 2024 B12R1.371 COC(C)Sc1cnccc1N 62a_100000047001_100009879195 [0,1,0,0,0,1|1,0,1]=4 2025 B12R1.371 COC(C)Sc1cnccc1N 62a_100009879195_100000047001 [0,1,0,0,0,1|1,0,1]=4 2026 B12R1.371 Cc1ccncc1CC(=O)CO 1458a_100000210174_100000690890 [0,1,0,0,0,1|2,0,0]=4 2027 B12R1.371 Cc1ncccc1CC(=O)CO 1458a_100000210174_100000732876 [0,1,0,0,0,1|2,0,0]=4 2028 B12R1.371 O=C(CF)Cc1cccnc1Cl 1458a_100000093521_100015361967 [0,1,0,0,0,1|2,0,0]=4 2029 B12R1.371 O=C(CO)Cc1cccnc1Br 1458a_100000210174_100010140945 [0,1,0,0,0,1|2,0,0]=4 2030 B12R1.371 O=C(CO)Cc1cccnc1Cl 1458a_100000210174_100000045678 [0,1,0,0,0,1|2,0,0]=4 2031 B12R1.371 O=C(CO)Cc1cccnc1F 1458a_100000210174_100000099810 [0,1,0,0,0,1|2,0,0]=4 2032 B12R1.9 CC(C)(O[13CH3])c1ccc(nc1)Br 34a_100010080785_200025704644 [0,2,0,0,0,0|1,0,1]=4 2033 B12R1.9 CC(C)(O[13CH3])c1ccc(nc1)Br 7a_100010080785_200025704644 [0,2,0,0,0,0|1,0,1]=4 2034 B12R1.9 CC(C)(O[13CH3])c1ccc(nc1)N 34a_100000144444_200025704644 [0,2,0,0,0,0|1,0,1]=4 2035 B12R1.9 CC(C)(O[13CH3])c1ccc(nc1)N 7a_100000144444_200025704644 [0,2,0,0,0,0|1,0,1]=4 2036 B12R1.9 CCS(=O)(=O)c1ccc(nc1)O 271570a_203496583355_100010142209 [0,2,0,0,0,0|2,0,0]=4 2037 B12R1.9 CNS(=O)(=O)c1ccc(nc1)C 270084a_100102657272_100000719016 [0,2,0,0,0,0|2,0,0]=4 2038 B12R1.9 CNS(=O)(=O)c1ccc(nc1)C 274078a_100102657272_100000719016 [0,2,0,0,0,0|2,0,0]=4 2039 B12R1.9 CNS(=O)(=O)c1ccc(nc1)Cl 270084a_100102657272_100000184283 [0,2,0,0,0,0|2,0,0]=4 2040 B12R1.9 CNS(=O)(=O)c1ccc(nc1)Cl 274078a_100102657272_100000184283 [0,2,0,0,0,0|2,0,0]=4 2041 B12R1.9 COC(C)(C)c1ccc(nc1)Br 34a_100010080785_200000210301 [0,2,0,0,0,0|1,0,1]=4 2042 B12R1.9 COC(C)(C)c1ccc(nc1)Br 7a_100010080785_200000210301 [0,2,0,0,0,0|1,0,1]=4 2043 B12R1.9 COC(C)(C)c1ccc(nc1)N 34a_100000144444_200000210301 [0,2,0,0,0,0|1,0,1]=4 2044 B12R1.9 COC(C)(C)c1ccc(nc1)N 7a_100000144444_200000210301 [0,2,0,0,0,0|1,0,1]=4 2045 B12R1.9 COS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000004522 [0,2,0,0,0,0|2,0,0]=4 2046 B12R1.10 CC(C)(O[13CH3])c1cncc(c1)Br 34a_100010080784_200025704644 [0,2,0,0,0,0|1,0,1]=4 2047 B12R1.10 CC(C)(O[13CH3])c1cncc(c1)Br 7a_100010080784_200025704644 [0,2,0,0,0,0|1,0,1]=4 2048 B12R1.10 CNS(=O)(=O)c1cncc(c1)Br 270084a_100102657272_100000745557 [0,2,0,0,0,0|2,0,0]=4 2049 B12R1.10 CNS(=O)(=O)c1cncc(c1)Br 274078a_100102657272_100000745557 [0,2,0,0,0,0|2,0,0]=4 2050 B12R1.10 CNS(=O)(=O)c1cncc(c1)O 271570a_203496583355_200011549042 [0,2,0,0,0,0|2,0,0]=4 2051 B12R1.10 COC(C)(C)c1cncc(c1)Br 34a_100010080784_200000210301 [0,2,0,0,0,0|1,0,1]=4 2052 B12R1.10 COC(C)(C)c1cncc(c1)Br 7a_100010080784_200000210301 [0,2,0,0,0,0|1,0,1]=4 2053 B12R1.39 CCNS(=O)(=O)c1cccnc1 270084a_100015525214_100000736704 [0,2,0,0,0,0|2,0,0]=4 2054 B12R1.39 CCNS(=O)(=O)c1cccnc1 274078a_100015525214_100000736704 [0,2,0,0,0,0|2,0,0]=4 2055 B12R1.39 COCS(=O)(=O)c1ccccc1 34a_100138415774_200009813291 [0,2,0,0,0,0|2,0,0]=4 2056 B12R1.195 CC(C)(O[13CH3])c1cccnc1Br 34a_100010080783_200025704644 [0,2,0,0,0,0|1,0,1]=4 2057 B12R1.195 CC(C)(O[13CH3])c1cccnc1Br 7a_100010080783_200025704644 [0,2,0,0,0,0|1,0,1]=4 2058 B12R1.195 CC(C)(O[13CH3])c1cccnc1F 34a_100000144396_200025704644 [0,2,0,0,0,0|1,0,1]=4 2059 B12R1.195 CC(C)(O[13CH3])c1cccnc1F 7a_100000144396_200025704644 [0,2,0,0,0,0|1,0,1]=4 2060 B12R1.195 CCS(=O)(=O)c1cccnc1O 271570a_203496583355_100000702504 [0,2,0,0,0,0|2,0,0]=4 2061 B12R1.195 CNS(=O)(=O)c1cccnc1Cl 270084a_100102657272_100000737393 [0,2,0,0,0,0|2,0,0]=4 2062 B12R1.195 CNS(=O)(=O)c1cccnc1Cl 274078a_100102657272_100000737393 [0,2,0,0,0,0|2,0,0]=4 2063 B12R1.195 CNS(=O)(=O)c1cccnc1F 274078a_100102657272_100000103413 [0,2,0,0,0,0|2,0,0]=4 2064 B12R1.195 CNS(=O)(=O)c1cnccc1Cl 270084a_100102657272_200000749572 [0,2,0,0,0,0|2,0,0]=4 2065 B12R1.195 CNS(=O)(=O)c1cnccc1Cl 274078a_100102657272_200000749572 [0,2,0,0,0,0|2,0,0]=4 2066 B12R1.195 COC(C)(C)c1cccnc1Br 34a_100010080783_200000210301 [0,2,0,0,0,0|1,0,1]=4 2067 B12R1.195 COC(C)(C)c1cccnc1Br 7a_100010080783_200000210301 [0,2,0,0,0,0|1,0,1]=4 2068 B12R1.195 COC(C)(C)c1cccnc1F 34a_100000144396_200000210301 [0,2,0,0,0,0|1,0,1]=4 2069 B12R1.195 COC(C)(C)c1cccnc1F 7a_100000144396_200000210301 [0,2,0,0,0,0|1,0,1]=4 2070 B12R1.253 CN(C)S(=O)(=O)c1cccnc1 270084a_100102631434_100000736704 [0,2,0,0,0,0|2,0,0]=4 2071 B12R1.253 CN(C)S(=O)(=O)c1cccnc1 274078a_100102631434_100000736704 [0,2,0,0,0,0|2,0,0]=4 2072 B12R1.13 COC(OC)c1cncc(c1)O 271570a_203496583355_100010232022 [0,2,0,0,0,0|0,0,2]=4 2073 B12R1.478 COC(C(=O)N)c1ccccc1 34a_100011200849_200000210301 [0,2,0,0,0,0|1,0,1]=4 2074 B12R1.478 COC(C(=O)N)c1ccccc1 7a_100011200849_200000210301 [0,2,0,0,0,0|1,0,1]=4 2075 B12R1.478 CO[C@@H](C(=O)C)c1ccccc1 1458a_100000698336_200000210301 [0,2,0,0,0,0|1,0,1]=4 2076 B12R1.478 CO[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100000698336_200025704644 [0,2,0,0,0,0|1,0,1]=4 2077 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 34a_100011200849_200025704644 [0,2,0,0,0,0|1,0,1]=4 2078 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 7a_100011200849_200025704644 [0,2,0,0,0,0|1,0,1]=4 2079 B12R1.16 C=C(OCC)c1ccc(nn1)O 271570a_203496583355_100010989170 [0,2,0,0,0,0|2,0,0]=4 2080 B12R1.16 CC#CC(=O)c1ccc(cc1)O 271570a_203496583355_100153741113 [0,2,0,0,0,0|2,0,0]=4 2081 B12R1.16 CC(OCF)c1ccc(nc1)Br 34a_200010274204_100015361967 [0,2,0,0,0,0|1,0,1]=4 2082 B12R1.16 CC(OCF)c1ccc(nc1)Br 7a_200010274204_100015361967 [0,2,0,0,0,0|1,0,1]=4 2083 B12R1.16 CC(OCF)c1ccc(nc1)Cl 34a_200012017543_100015361967 [0,2,0,0,0,0|1,0,1]=4 2084 B12R1.16 CC(OCF)c1ccc(nc1)Cl 7a_200012017543_100015361967 [0,2,0,0,0,0|1,0,1]=4 2085 B12R1.16 CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210303 [0,2,0,0,0,0|2,0,0]=4 2086 B12R1.16 CCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210303 [0,2,0,0,0,0|2,0,0]=4 2087 B12R1.16 CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210303 [0,2,0,0,0,0|2,0,0]=4 2088 B12R1.16 CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210303 [0,2,0,0,0,0|2,0,0]=4 2089 B12R1.16 CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210303 [0,2,0,0,0,0|2,0,0]=4 2090 B12R1.16 CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210303 [0,2,0,0,0,0|2,0,0]=4 2091 B12R1.16 CCCC(=O)c1ccc(cc1)O 271570a_203496583355_100011267722 [0,2,0,0,0,0|2,0,0]=4 2092 B12R1.16 CCCC(=O)c1ccc(nc1)O 271570a_203496583355_200012185933 [0,2,0,0,0,0|1,0,0]=3 2093 B12R1.16 CCNC(=O)c1ccc(cc1)Br 11a_100015525214_100000185839 [0,2,0,0,0,0|2,0,0]=4 2094 B12R1.16 CCNC(=O)c1ccc(cc1)Br 240690a_100015525214_100000185839 [0,2,0,0,0,0|2,0,0]=4 2095 B12R1.16 CCNC(=O)c1ccc(cc1)Br 527a_100015525214_100000185839 [0,2,0,0,0,0|2,0,0]=4 2096 B12R1.16 CCNC(=O)c1ccc(cc1)C 11a_100015525214_100000188618 [0,2,0,0,0,0|2,0,0]=4 2097 B12R1.16 CCNC(=O)c1ccc(cc1)C 240690a_100015525214_100000188618 [0,2,0,0,0,0|2,0,0]=4 2098 B12R1.16 CCNC(=O)c1ccc(cc1)C 527a_100015525214_100000188618 [0,2,0,0,0,0|2,0,0]=4 2099 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 11a_100015525214_100000210187 [0,2,0,0,0,0|2,0,0]=4 2100 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 240690a_100015525214_100000210187 [0,2,0,0,0,0|2,0,0]=4 2101 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 527a_100015525214_100000210187 [0,2,0,0,0,0|2,0,0]=4 2102 B12R1.16 CCNC(=O)c1ccc(cc1)F 11a_100015525214_100000187176 [0,2,0,0,0,0|2,0,0]=4 2103 B12R1.16 CCNC(=O)c1ccc(cc1)F 240690a_100015525214_100000187176 [0,2,0,0,0,0|2,0,0]=4 2104 B12R1.16 CCNC(=O)c1ccc(cc1)F 527a_100015525214_100000187176 [0,2,0,0,0,0|2,0,0]=4 2105 B12R1.16 CCNC(=O)c1ccc(cc1)I 11a_100015525214_100000187904 [0,2,0,0,0,0|2,0,0]=4 2106 B12R1.16 CCNC(=O)c1ccc(cc1)I 240690a_100015525214_100000187904 [0,2,0,0,0,0|2,0,0]=4 2107 B12R1.16 CCNC(=O)c1ccc(cc1)I 527a_100015525214_100000187904 [0,2,0,0,0,0|2,0,0]=4 2108 B12R1.16 CCNC(=O)c1ccc(cc1)O 240690a_100015525214_100000212099 [0,2,0,0,0,0|2,0,0]=4 2109 B12R1.16 CCNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155177 [0,2,0,0,0,0|2,0,0]=4 2110 B12R1.16 CCNC(=O)c1ccc(cc1)O 527a_100015525214_100000212099 [0,2,0,0,0,0|2,0,0]=4 2111 B12R1.16 CCNC(=O)c1ccc(nc1)O 271570a_203496583355_100000160145 [0,2,0,0,0,0|1,0,0]=3 2112 B12R1.16 CCOC(=O)c1ccc(cc1)O 271570a_203496583355_100000170077 [0,2,0,0,0,0|1,0,0]=3 2113 B12R1.16 CCOC(=O)c1ccc(cn1)O 271570a_203496583355_100011781174 [0,2,0,0,0,0|2,0,0]=4 2114 B12R1.16 CCOC(=O)c1ccc(nc1)O 271570a_203496583355_100000170224 [0,2,0,0,0,0|0,0,0]=2 2115 B12R1.16 CCOC(=O)c1ccc(nn1)O 271570a_203496583355_100011933454 [0,2,0,0,0,0|1,0,0]=3 2116 B12R1.16 CCOC(=O)c1cnc(cn1)O 271570a_203496583355_100000707868 [0,2,0,0,0,0|1,0,0]=3 2117 B12R1.16 CCOC(=O)c1cnc(nc1)O 271570a_203496583355_100011935661 [0,2,0,0,0,0|1,0,0]=3 2118 B12R1.16 CCOC(C)c1ccc(nc1)Br 34a_200010274204_100000210202 [0,2,0,0,0,0|1,0,1]=4 2119 B12R1.16 CCOC(C)c1ccc(nc1)Br 7a_200010274204_100000210202 [0,2,0,0,0,0|1,0,1]=4 2120 B12R1.16 CCOC(C)c1ccc(nc1)C 34a_200011815720_100000210202 [0,2,0,0,0,0|1,0,1]=4 2121 B12R1.16 CCOC(C)c1ccc(nc1)C 7a_200011815720_100000210202 [0,2,0,0,0,0|1,0,1]=4 2122 B12R1.16 CCOC(C)c1ccc(nc1)Cl 34a_200012017543_100000210202 [0,2,0,0,0,0|1,0,1]=4 2123 B12R1.16 CCOC(C)c1ccc(nc1)Cl 7a_200012017543_100000210202 [0,2,0,0,0,0|1,0,1]=4 2124 B12R1.16 CNCC(=O)c1ccc(cc1)Br 34a_100102657272_100000188085 [0,2,0,0,0,0|2,0,0]=4 2125 B12R1.16 CNCC(=O)c1ccc(cc1)Br 7a_106832991635_100000188085 [0,2,0,0,0,0|2,0,0]=4 2126 B12R1.16 CNCC(=O)c1ccc(cc1)C 2230a_106832991635_100000211441 [0,2,0,0,0,0|2,0,0]=4 2127 B12R1.16 CNCC(=O)c1ccc(cc1)C 34a_100102657272_100000211441 [0,2,0,0,0,0|2,0,0]=4 2128 B12R1.16 CNCC(=O)c1ccc(cc1)C 7a_106832991635_100000211441 [0,2,0,0,0,0|2,0,0]=4 2129 B12R1.16 CNCC(=O)c1ccc(cc1)Cl 7a_106832991635_100000211071 [0,2,0,0,0,0|2,0,0]=4 2130 B12R1.16 CNCC(=O)c1ccc(cc1)F 7a_106832991635_100000211279 [0,2,0,0,0,0|2,0,0]=4 2131 B12R1.16 CNCC(=O)c1ccc(cc1)I 34a_100102657272_100011216261 [0,2,0,0,0,0|2,0,0]=4 2132 B12R1.16 CNCC(=O)c1ccc(cc1)I 7a_106832991635_100011216261 [0,2,0,0,0,0|2,0,0]=4 2133 B12R1.16 CNCC(=O)c1ccc(cc1)O 34a_100102657272_100009814261 [0,2,0,0,0,0|2,0,0]=4 2134 B12R1.16 CNCC(=O)c1ccc(cc1)O 7a_106832991635_100000018856 [0,2,0,0,0,0|2,0,0]=4 2135 B12R1.16 CNNC(=O)c1ccc(cc1)Br 22a_100016993582_100000185839 [0,2,0,0,0,0|2,0,0]=4 2136 B12R1.16 CNNC(=O)c1ccc(cc1)C 22a_100016993582_100000188618 [0,2,0,0,0,0|2,0,0]=4 2137 B12R1.16 CNNC(=O)c1ccc(cc1)Cl 22a_100016993582_100000210187 [0,2,0,0,0,0|2,0,0]=4 2138 B12R1.16 CNNC(=O)c1ccc(cc1)F 22a_100016993582_100000187176 [0,2,0,0,0,0|2,0,0]=4 2139 B12R1.16 CNNC(=O)c1ccc(cc1)I 22a_100016993582_100000187904 [0,2,0,0,0,0|2,0,0]=4 2140 B12R1.16 CNNC(=O)c1ccc(cc1)O 22a_100016993582_100000212099 [0,2,0,0,0,0|2,0,0]=4 2141 B12R1.16 COCC(=O)c1ccc(cc1)Br 34a_100138415774_100000188085 [0,2,0,0,0,0|1,0,0]=3 2142 B12R1.16 COCC(=O)c1ccc(cc1)C 34a_100138415774_100000211441 [0,2,0,0,0,0|1,0,0]=3 2143 B12R1.16 COCC(=O)c1ccc(cc1)F 34a_100000246311_200000210301 [0,2,0,0,0,0|1,0,0]=3 2144 B12R1.16 COCC(=O)c1ccc(cc1)I 34a_100138415774_100011216261 [0,2,0,0,0,0|1,0,0]=3 2145 B12R1.16 COCC(=O)c1ccc(cc1)O 271570a_203496583355_200011343064 [0,2,0,0,0,0|1,0,0]=3 2146 B12R1.16 COCC(=O)c1ccc(cc1)O 34a_100138415774_100009814261 [0,2,0,0,0,0|1,0,0]=3 2147 B12R1.16 CSCC(=O)c1ccc(cc1)Br 62a_100000188085_200000210301 [0,2,0,0,0,0|1,1,0]=4 2148 B12R1.16 CSCC(=O)c1ccc(cc1)C 62a_100000211441_200000210301 [0,2,0,0,0,0|1,1,0]=4 2149 B12R1.16 CSCC(=O)c1ccc(cc1)C 62a_200000210301_100000211441 [0,2,0,0,0,0|1,1,0]=4 2150 B12R1.16 CSCC(=O)c1ccc(cc1)Cl 62a_100000211071_200000210301 [0,2,0,0,0,0|1,1,0]=4 2151 B12R1.16 CSCC(=O)c1ccc(cc1)Cl 62a_200000210301_100000211071 [0,2,0,0,0,0|1,1,0]=4 2152 B12R1.16 CSCC(=O)c1ccc(cc1)F 62a_100000211279_200000210301 [0,2,0,0,0,0|1,1,0]=4 2153 B12R1.16 CSCC(=O)c1ccc(cc1)F 62a_200000210301_100000211279 [0,2,0,0,0,0|1,1,0]=4 2154 B12R1.16 CSCC(=O)c1ccc(cc1)I 62a_100011216261_200000210301 [0,2,0,0,0,0|1,1,0]=4 2155 B12R1.16 CSCC(=O)c1ccc(cc1)I 62a_200000210301_100011216261 [0,2,0,0,0,0|1,1,0]=4 2156 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_100009814261_200000210301 [0,2,0,0,0,0|1,1,0]=4 2157 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_200000210301_100009814261 [0,2,0,0,0,0|1,1,0]=4 2158 B12R1.16 CSCC(=O)c1ccc(nc1)C 62a_100012027583_200000210301 [0,2,0,0,0,0|0,1,0]=3 2159 B12R1.16 CSCC(=O)c1ccc(nc1)C 62a_200000210301_100012027583 [0,2,0,0,0,0|0,1,0]=3 2160 B12R1.16 CSCC(=O)c1ccc(nc1)Cl 62a_100009864725_200000210301 [0,2,0,0,0,0|0,1,0]=3 2161 B12R1.16 CSCC(=O)c1ccc(nc1)Cl 62a_200000210301_100009864725 [0,2,0,0,0,0|0,1,0]=3 2162 B12R1.16 Cc1ccc(cc1)C(=O)CCF 1458a_100000188618_100011217306 [0,2,0,0,0,0|2,0,0]=4 2163 B12R1.16 Cc1ccc(cc1)C(=O)CCO 1458a_100000188618_100000211926 [0,2,0,0,0,0|2,0,0]=4 2164 B12R1.16 Cc1ccc(cc1)C(=O)CS[13CH3] 62a_100000211441_200025704644 [0,2,0,0,0,0|1,1,0]=4 2165 B12R1.16 Cc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100000211441 [0,2,0,0,0,0|1,1,0]=4 2166 B12R1.16 Cc1ccc(cn1)C(=O)CS[13CH3] 62a_100012027583_200025704644 [0,2,0,0,0,0|0,1,0]=3 2167 B12R1.16 Cc1ccc(cn1)C(=O)CS[13CH3] 62a_200025704644_100012027583 [0,2,0,0,0,0|0,1,0]=3 2168 B12R1.16 Cc1ccc(cn1)C(C)OCF 34a_200011815720_100015361967 [0,2,0,0,0,0|1,0,1]=4 2169 B12R1.16 Cc1ccc(cn1)C(C)OCF 7a_200011815720_100015361967 [0,2,0,0,0,0|1,0,1]=4 2170 B12R1.16 O=C(CCF)c1ccc(cc1)Br 1458a_100000185839_100011217306 [0,2,0,0,0,0|2,0,0]=4 2171 B12R1.16 O=C(CCF)c1ccc(cc1)Cl 1458a_100000210187_100011217306 [0,2,0,0,0,0|2,0,0]=4 2172 B12R1.16 O=C(CCF)c1ccc(cc1)F 1458a_100000187176_100011217306 [0,2,0,0,0,0|2,0,0]=4 2173 B12R1.16 O=C(CCF)c1ccc(cc1)I 1458a_100000187904_100011217306 [0,2,0,0,0,0|2,0,0]=4 2174 B12R1.16 O=C(CCF)c1ccc(cc1)O 1458a_100000212099_100011217306 [0,2,0,0,0,0|2,0,0]=4 2175 B12R1.16 O=C(CCO)c1ccc(cc1)Br 1458a_100000185839_100000211926 [0,2,0,0,0,0|2,0,0]=4 2176 B12R1.16 O=C(CCO)c1ccc(cc1)Cl 1458a_100000210187_100000211926 [0,2,0,0,0,0|2,0,0]=4 2177 B12R1.16 O=C(CCO)c1ccc(cc1)F 1458a_100000187176_100000211926 [0,2,0,0,0,0|2,0,0]=4 2178 B12R1.16 O=C(CCO)c1ccc(cc1)I 1458a_100000187904_100000211926 [0,2,0,0,0,0|2,0,0]=4 2179 B12R1.16 O=C(CCO)c1ccc(cc1)O 1458a_100000212099_100000211926 [0,2,0,0,0,0|2,0,0]=4 2180 B12R1.16 [13CH3]OCC(=O)c1ccc(cc1)F 34a_100000246311_200025704644 [0,2,0,0,0,0|1,0,0]=3 2181 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Br 62a_100000188085_200025704644 [0,2,0,0,0,0|1,1,0]=4 2182 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Cl 62a_100000211071_200025704644 [0,2,0,0,0,0|1,1,0]=4 2183 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Cl 62a_200025704644_100000211071 [0,2,0,0,0,0|1,1,0]=4 2184 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)F 62a_100000211279_200025704644 [0,2,0,0,0,0|1,1,0]=4 2185 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)F 62a_200025704644_100000211279 [0,2,0,0,0,0|1,1,0]=4 2186 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)I 62a_100011216261_200025704644 [0,2,0,0,0,0|1,1,0]=4 2187 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)I 62a_200025704644_100011216261 [0,2,0,0,0,0|1,1,0]=4 2188 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_100009814261_200025704644 [0,2,0,0,0,0|1,1,0]=4 2189 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_200025704644_100009814261 [0,2,0,0,0,0|1,1,0]=4 2190 B12R1.16 [13CH3]SCC(=O)c1ccc(nc1)Cl 62a_100009864725_200025704644 [0,2,0,0,0,0|0,1,0]=3 2191 B12R1.16 [13CH3]SCC(=O)c1ccc(nc1)Cl 62a_200025704644_100009864725 [0,2,0,0,0,0|0,1,0]=3 2192 B12R1.17 CC(OCF)c1cncc(c1)Br 34a_100012351597_100015361967 [0,2,0,0,0,0|1,0,1]=4 2193 B12R1.17 CC(OCF)c1cncc(c1)Br 7a_100012351597_100015361967 [0,2,0,0,0,0|1,0,1]=4 2194 B12R1.17 CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210303 [0,2,0,0,0,0|2,0,0]=4 2195 B12R1.17 CCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210303 [0,2,0,0,0,0|2,0,0]=4 2196 B12R1.17 CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210303 [0,2,0,0,0,0|2,0,0]=4 2197 B12R1.17 CCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210303 [0,2,0,0,0,0|2,0,0]=4 2198 B12R1.17 CCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210303 [0,2,0,0,0,0|2,0,0]=4 2199 B12R1.17 CCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210303 [0,2,0,0,0,0|2,0,0]=4 2200 B12R1.17 CCNC(=O)c1cccc(c1)Br 11a_100015525214_100000210664 [0,2,0,0,0,0|2,0,0]=4 2201 B12R1.17 CCNC(=O)c1cccc(c1)Br 240690a_100015525214_100000210664 [0,2,0,0,0,0|2,0,0]=4 2202 B12R1.17 CCNC(=O)c1cccc(c1)Br 527a_100015525214_100000210664 [0,2,0,0,0,0|2,0,0]=4 2203 B12R1.17 CCNC(=O)c1cccc(c1)C 11a_100015525214_100000189346 [0,2,0,0,0,0|2,0,0]=4 2204 B12R1.17 CCNC(=O)c1cccc(c1)C 240690a_100015525214_100000189346 [0,2,0,0,0,0|2,0,0]=4 2205 B12R1.17 CCNC(=O)c1cccc(c1)C 527a_100015525214_100000189346 [0,2,0,0,0,0|2,0,0]=4 2206 B12R1.17 CCNC(=O)c1cccc(c1)Cl 11a_100015525214_100000210390 [0,2,0,0,0,0|2,0,0]=4 2207 B12R1.17 CCNC(=O)c1cccc(c1)Cl 240690a_100015525214_100000210390 [0,2,0,0,0,0|2,0,0]=4 2208 B12R1.17 CCNC(=O)c1cccc(c1)Cl 527a_100015525214_100000210390 [0,2,0,0,0,0|2,0,0]=4 2209 B12R1.17 CCNC(=O)c1cccc(c1)F 11a_100015525214_100000210950 [0,2,0,0,0,0|2,0,0]=4 2210 B12R1.17 CCNC(=O)c1cccc(c1)F 240690a_100015525214_100000210950 [0,2,0,0,0,0|2,0,0]=4 2211 B12R1.17 CCNC(=O)c1cccc(c1)F 527a_100015525214_100000210950 [0,2,0,0,0,0|2,0,0]=4 2212 B12R1.17 CCNC(=O)c1cccc(c1)I 11a_100015525214_100000184098 [0,2,0,0,0,0|2,0,0]=4 2213 B12R1.17 CCNC(=O)c1cccc(c1)I 240690a_100015525214_100000184098 [0,2,0,0,0,0|2,0,0]=4 2214 B12R1.17 CCNC(=O)c1cccc(c1)I 527a_100015525214_100000184098 [0,2,0,0,0,0|2,0,0]=4 2215 B12R1.17 CCNC(=O)c1cccc(c1)O 240690a_100015525214_100000183914 [0,2,0,0,0,0|2,0,0]=4 2216 B12R1.17 CCNC(=O)c1cccc(c1)O 271570a_203496583355_100000155180 [0,2,0,0,0,0|2,0,0]=4 2217 B12R1.17 CCNC(=O)c1cccc(c1)O 527a_100015525214_100000183914 [0,2,0,0,0,0|2,0,0]=4 2218 B12R1.17 CCNC(=O)c1cncc(c1)O 271570a_203496583355_200000155184 [0,2,0,0,0,0|1,0,0]=3 2219 B12R1.17 CCOC(=O)c1cc(ccn1)O 271570a_203496583355_100010210110 [0,2,0,0,0,0|2,0,0]=4 2220 B12R1.17 CCOC(=O)c1cccc(c1)O 271570a_203496583355_100000170211 [0,2,0,0,0,0|1,0,0]=3 2221 B12R1.17 CCOC(=O)c1cccc(n1)O 271570a_203496583355_100000695914 [0,2,0,0,0,0|2,0,0]=4 2222 B12R1.17 CCOC(=O)c1ccnc(c1)O 271570a_203496583355_100011213083 [0,2,0,0,0,0|2,0,0]=4 2223 B12R1.17 CCOC(=O)c1cncc(c1)O 271570a_203496583355_100000170250 [0,2,0,0,0,0|0,0,0]=2 2224 B12R1.17 CCOC(=O)c1cncc(n1)O 271570a_203496583355_100012185986 [0,2,0,0,0,0|1,0,0]=3 2225 B12R1.17 CCOC(=O)c1cnnc(c1)O 271570a_203496583355_100009853686 [0,2,0,0,0,0|1,0,0]=3 2226 B12R1.17 CCOC(C)c1cncc(c1)Br 34a_100012351597_100000210202 [0,2,0,0,0,0|1,0,1]=4 2227 B12R1.17 CCOC(C)c1cncc(c1)Br 7a_100012351597_100000210202 [0,2,0,0,0,0|1,0,1]=4 2228 B12R1.17 CNCC(=O)c1cccc(c1)Br 2230a_106832991635_100000212080 [0,2,0,0,0,0|2,0,0]=4 2229 B12R1.17 CNCC(=O)c1cccc(c1)Br 34a_100102657272_100000212080 [0,2,0,0,0,0|2,0,0]=4 2230 B12R1.17 CNCC(=O)c1cccc(c1)Br 7a_106832991635_100000212080 [0,2,0,0,0,0|2,0,0]=4 2231 B12R1.17 CNCC(=O)c1cccc(c1)C 2230a_106832991635_100000739480 [0,2,0,0,0,0|2,0,0]=4 2232 B12R1.17 CNCC(=O)c1cccc(c1)C 34a_100102657272_100000739480 [0,2,0,0,0,0|2,0,0]=4 2233 B12R1.17 CNCC(=O)c1cccc(c1)C 7a_106832991635_100000739480 [0,2,0,0,0,0|2,0,0]=4 2234 B12R1.17 CNCC(=O)c1cccc(c1)Cl 2230a_106832991635_100000211444 [0,2,0,0,0,0|2,0,0]=4 2235 B12R1.17 CNCC(=O)c1cccc(c1)Cl 34a_100102657272_100000211444 [0,2,0,0,0,0|2,0,0]=4 2236 B12R1.17 CNCC(=O)c1cccc(c1)Cl 7a_106832991635_100000211444 [0,2,0,0,0,0|2,0,0]=4 2237 B12R1.17 CNCC(=O)c1cccc(c1)F 2230a_106832991635_100000215616 [0,2,0,0,0,0|2,0,0]=4 2238 B12R1.17 CNCC(=O)c1cccc(c1)F 34a_100102657272_100000215616 [0,2,0,0,0,0|2,0,0]=4 2239 B12R1.17 CNCC(=O)c1cccc(c1)O 34a_100102657272_100009813753 [0,2,0,0,0,0|2,0,0]=4 2240 B12R1.17 CNCC(=O)c1cccc(c1)O 7a_106832991635_100009813753 [0,2,0,0,0,0|2,0,0]=4 2241 B12R1.17 CNNC(=O)c1cccc(c1)Br 22a_100016993582_100000210664 [0,2,0,0,0,0|2,0,0]=4 2242 B12R1.17 CNNC(=O)c1cccc(c1)C 22a_100016993582_100000189346 [0,2,0,0,0,0|2,0,0]=4 2243 B12R1.17 CNNC(=O)c1cccc(c1)Cl 22a_100016993582_100000210390 [0,2,0,0,0,0|2,0,0]=4 2244 B12R1.17 CNNC(=O)c1cccc(c1)F 22a_100016993582_100000210950 [0,2,0,0,0,0|2,0,0]=4 2245 B12R1.17 CNNC(=O)c1cccc(c1)I 22a_100016993582_100000184098 [0,2,0,0,0,0|2,0,0]=4 2246 B12R1.17 CNNC(=O)c1cccc(c1)O 22a_100016993582_100000183914 [0,2,0,0,0,0|2,0,0]=4 2247 B12R1.17 COCC(=O)c1cccc(c1)Br 34a_100138415774_100000212080 [0,2,0,0,0,0|1,0,0]=3 2248 B12R1.17 COCC(=O)c1cccc(c1)C 34a_100138415774_100000739480 [0,2,0,0,0,0|1,0,0]=3 2249 B12R1.17 COCC(=O)c1cccc(c1)Cl 34a_100138415774_100000211444 [0,2,0,0,0,0|1,0,0]=3 2250 B12R1.17 COCC(=O)c1cccc(c1)Cl 7a_200011592804_200000210301 [0,2,0,0,0,0|1,0,0]=3 2251 B12R1.17 COCC(=O)c1cccc(c1)F 34a_100011592800_200000210301 [0,2,0,0,0,0|1,0,0]=3 2252 B12R1.17 COCC(=O)c1cccc(c1)F 34a_100138415774_100000215616 [0,2,0,0,0,0|1,0,0]=3 2253 B12R1.17 COCC(=O)c1cccc(c1)F 7a_100011592800_200000210301 [0,2,0,0,0,0|1,0,0]=3 2254 B12R1.17 COCC(=O)c1cccc(c1)O 34a_100138415774_100009813753 [0,2,0,0,0,0|1,0,0]=3 2255 B12R1.17 CSCC(=O)c1cccc(c1)Br 62a_100000212080_200000210301 [0,2,0,0,0,0|1,1,0]=4 2256 B12R1.17 CSCC(=O)c1cccc(c1)Br 62a_200000210301_100000212080 [0,2,0,0,0,0|1,1,0]=4 2257 B12R1.17 CSCC(=O)c1cccc(c1)C 62a_100000739480_200000210301 [0,2,0,0,0,0|1,1,0]=4 2258 B12R1.17 CSCC(=O)c1cccc(c1)C 62a_200000210301_100000739480 [0,2,0,0,0,0|1,1,0]=4 2259 B12R1.17 CSCC(=O)c1cccc(c1)Cl 62a_100000211444_200000210301 [0,2,0,0,0,0|1,1,0]=4 2260 B12R1.17 CSCC(=O)c1cccc(c1)Cl 62a_200000210301_100000211444 [0,2,0,0,0,0|1,1,0]=4 2261 B12R1.17 CSCC(=O)c1cccc(c1)F 62a_100000215616_200000210301 [0,2,0,0,0,0|1,1,0]=4 2262 B12R1.17 CSCC(=O)c1cccc(c1)F 62a_200000210301_100000215616 [0,2,0,0,0,0|1,1,0]=4 2263 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_100009813753_200000210301 [0,2,0,0,0,0|1,1,0]=4 2264 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_200000210301_100009813753 [0,2,0,0,0,0|1,1,0]=4 2265 B12R1.17 Cc1cccc(c1)C(=O)CCF 1458a_100000189346_100011217306 [0,2,0,0,0,0|2,0,0]=4 2266 B12R1.17 Cc1cccc(c1)C(=O)CCO 1458a_100000189346_100000211926 [0,2,0,0,0,0|2,0,0]=4 2267 B12R1.17 Cc1cccc(c1)C(=O)CS[13CH3] 62a_100000739480_200025704644 [0,2,0,0,0,0|1,1,0]=4 2268 B12R1.17 Cc1cccc(c1)C(=O)CS[13CH3] 62a_200025704644_100000739480 [0,2,0,0,0,0|1,1,0]=4 2269 B12R1.17 O=C(CCF)c1cccc(c1)Br 1458a_100000210664_100011217306 [0,2,0,0,0,0|2,0,0]=4 2270 B12R1.17 O=C(CCF)c1cccc(c1)Cl 1458a_100000210390_100011217306 [0,2,0,0,0,0|2,0,0]=4 2271 B12R1.17 O=C(CCF)c1cccc(c1)F 1458a_100000210950_100011217306 [0,2,0,0,0,0|2,0,0]=4 2272 B12R1.17 O=C(CCF)c1cccc(c1)I 1458a_100000184098_100011217306 [0,2,0,0,0,0|2,0,0]=4 2273 B12R1.17 O=C(CCF)c1cccc(c1)O 1458a_100000183914_100011217306 [0,2,0,0,0,0|2,0,0]=4 2274 B12R1.17 O=C(CCO)c1cccc(c1)Br 1458a_100000210664_100000211926 [0,2,0,0,0,0|2,0,0]=4 2275 B12R1.17 O=C(CCO)c1cccc(c1)Cl 1458a_100000210390_100000211926 [0,2,0,0,0,0|2,0,0]=4 2276 B12R1.17 O=C(CCO)c1cccc(c1)F 1458a_100000210950_100000211926 [0,2,0,0,0,0|2,0,0]=4 2277 B12R1.17 O=C(CCO)c1cccc(c1)I 1458a_100000184098_100000211926 [0,2,0,0,0,0|2,0,0]=4 2278 B12R1.17 O=C(CCO)c1cccc(c1)O 1458a_100000183914_100000211926 [0,2,0,0,0,0|2,0,0]=4 2279 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)Cl 7a_200011592804_200025704644 [0,2,0,0,0,0|1,0,0]=3 2280 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)F 34a_100011592800_200025704644 [0,2,0,0,0,0|1,0,0]=3 2281 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)F 7a_100011592800_200025704644 [0,2,0,0,0,0|1,0,0]=3 2282 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Br 62a_100000212080_200025704644 [0,2,0,0,0,0|1,1,0]=4 2283 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Br 62a_200025704644_100000212080 [0,2,0,0,0,0|1,1,0]=4 2284 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Cl 62a_100000211444_200025704644 [0,2,0,0,0,0|1,1,0]=4 2285 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Cl 62a_200025704644_100000211444 [0,2,0,0,0,0|1,1,0]=4 2286 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)F 62a_100000215616_200025704644 [0,2,0,0,0,0|1,1,0]=4 2287 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)F 62a_200025704644_100000215616 [0,2,0,0,0,0|1,1,0]=4 2288 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_100009813753_200025704644 [0,2,0,0,0,0|1,1,0]=4 2289 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_200025704644_100009813753 [0,2,0,0,0,0|1,1,0]=4 2290 B12R1.30 C#CCCC(=O)c1ccccc1 1458a_100000185807_100000753159 [0,2,0,0,0,0|2,0,0]=4 2291 B12R1.30 C#CCNC(=O)c1ccccc1 11a_100000212058_100000185807 [0,2,0,0,0,0|2,0,0]=4 2292 B12R1.30 C#CCNC(=O)c1ccccc1 1626a_100000212058_100000185807 [0,2,0,0,0,0|2,0,0]=4 2293 B12R1.30 C#CCNC(=O)c1ccccc1 240690a_100000212058_100000185807 [0,2,0,0,0,0|2,0,0]=4 2294 B12R1.30 C#CCNC(=O)c1ccccc1 527a_100000212058_100000185807 [0,2,0,0,0,0|2,0,0]=4 2295 B12R1.30 C/C=C/CC(=O)c1ccccc1 1458a_100000185807_100102629194 [0,2,0,0,0,0|2,0,0]=4 2296 B12R1.30 C=CCCC(=O)c1ccccc1 1458a_100000185807_100000754431 [0,2,0,0,0,0|2,0,0]=4 2297 B12R1.30 C=CCNC(=O)c1ccccc1 1626a_100020586998_100000185807 [0,2,0,0,0,0|2,0,0]=4 2298 B12R1.30 C=CCNC(=O)c1ccccc1 240690a_100020586998_100000185807 [0,2,0,0,0,0|2,0,0]=4 2299 B12R1.30 C=CCNC(=O)c1ccccc1 527a_100020586998_100000185807 [0,2,0,0,0,0|2,0,0]=4 2300 B12R1.30 CC#CCC(=O)c1ccccc1 1458a_100000185807_100000748600 [0,2,0,0,0,0|2,0,0]=4 2301 B12R1.30 CC=CCC(=O)c1ccccc1 1458a_100000185807_100000070051 [0,2,0,0,0,0|2,0,0]=4 2302 B12R1.30 CC=NNC(=O)c1ccccc1 4a_100000184135_200000210099 [0,2,0,0,0,0|2,0,0]=4 2303 B12R1.30 CC=NNC(=O)c1cccnc1 4a_100000189771_200000210099 [0,2,0,0,0,0|1,0,0]=3 2304 B12R1.30 CC=NNC(=O)c1cnccn1 4a_100000189795_200000210099 [0,2,0,0,0,0|2,0,0]=4 2305 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [0,2,0,0,0,0|2,0,0]=4 2306 B12R1.30 CCCNC(=O)c1ccccc1 11a_100020643023_100000185807 [0,2,0,0,0,0|2,0,0]=4 2307 B12R1.30 CCCNC(=O)c1ccccc1 1626a_100020643023_100000185807 [0,2,0,0,0,0|2,0,0]=4 2308 B12R1.30 CCCNC(=O)c1ccccc1 240690a_100020643023_100000185807 [0,2,0,0,0,0|2,0,0]=4 2309 B12R1.30 CCCNC(=O)c1ccccc1 527a_100020643023_100000185807 [0,2,0,0,0,0|2,0,0]=4 2310 B12R1.30 CCNN=C(C)c1cccnc1 4a_100000756455_100000210468 [0,2,0,0,0,0|2,0,0]=4 2311 B12R1.30 CCNNC(=O)c1ccccc1 22a_100000756455_100000185807 [0,2,0,0,0,0|2,0,0]=4 2312 B12R1.30 CCOCC(=O)c1ccccn1 34a_100121572206_100000027445 [0,2,0,0,0,0|2,0,0]=4 2313 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000210202_100000211460 [0,2,0,0,0,0|1,1,0]=4 2314 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000211460_100000210202 [0,2,0,0,0,0|1,1,0]=4 2315 B12R1.30 CCSCC(=O)c1cccnc1 62a_100000210202_100000757877 [0,2,0,0,0,0|0,1,0]=3 2316 B12R1.30 CCSCC(=O)c1cccnc1 62a_100000757877_100000210202 [0,2,0,0,0,0|0,1,0]=3 2317 B12R1.30 CNCCC(=O)c1ccccc1 2230a_106832991635_100000750707 [0,2,0,0,0,0|2,0,0]=4 2318 B12R1.30 CNCCC(=O)c1ccccc1 7a_106832991635_100000750707 [0,2,0,0,0,0|2,0,0]=4 2319 B12R1.30 CNCOC(=O)c1ccccc1 7a_106832991635_100000073877 [0,2,0,0,0,0|1,0,0]=3 2320 B12R1.30 COCCC(=O)c1ccccc1 1458a_100000185807_100000233755 [0,2,0,0,0,0|1,0,0]=3 2321 B12R1.30 COCNC(C)c1cccnc1 2230a_100000195435_100000766300 [0,2,0,0,0,0|1,0,1]=4 2322 B12R1.30 CSCCC(=O)c1ccccc1 1458a_100000185807_100000751147 [0,2,0,0,0,0|1,1,0]=4 2323 B12R1.30 CSCCC(=O)c1ccccc1 62a_100000750707_200000210301 [0,2,0,0,0,0|1,1,0]=4 2324 B12R1.30 CSCCC(=O)c1ccccc1 62a_200000210301_100000750707 [0,2,0,0,0,0|1,1,0]=4 2325 B12R1.30 CSCOC(=O)c1ccccc1 62a_100000073877_200000210301 [0,2,0,0,0,0|1,0,0]=3 2326 B12R1.30 CSCOC(=O)c1ccccc1 62a_200000210301_100000073877 [0,2,0,0,0,0|1,0,0]=3 2327 B12R1.30 N#CCCC(=O)c1ccccc1 1458a_100000185807_100011215226 [0,2,0,0,0,0|2,0,0]=4 2328 B12R1.30 N#CCNC(=O)c1ccccc1 1626a_100000734998_100000185807 [0,2,0,0,0,0|2,0,0]=4 2329 B12R1.30 N#CCNC(=O)c1ccccc1 527a_100000734998_100000185807 [0,2,0,0,0,0|2,0,0]=4 2330 B12R1.30 O=C(CCCF)c1ccccc1 1458a_100000185807_100011934791 [0,2,0,0,0,0|2,0,0]=4 2331 B12R1.30 O=C(CCCO)c1ccccc1 1458a_100000185807_100011215043 [0,2,0,0,0,0|2,0,0]=4 2332 B12R1.30 O=C(CSCF)c1ccccc1 62a_100000211460_100015361967 [0,2,0,0,0,0|1,1,0]=4 2333 B12R1.30 O=C(CSCF)c1ccccc1 62a_100015361967_100000211460 [0,2,0,0,0,0|1,1,0]=4 2334 B12R1.30 O=C(CSCF)c1cccnc1 62a_100000757877_100015361967 [0,2,0,0,0,0|0,1,0]=3 2335 B12R1.30 O=C(CSCF)c1cccnc1 62a_100015361967_100000757877 [0,2,0,0,0,0|0,1,0]=3 2336 B12R1.30 O=C(NCCF)c1ccccc1 11a_100000724931_100000185807 [0,2,0,0,0,0|2,0,0]=4 2337 B12R1.30 O=C(NCCF)c1ccccc1 1626a_100000724931_100000185807 [0,2,0,0,0,0|2,0,0]=4 2338 B12R1.30 O=C(NCCF)c1ccccc1 240690a_100000724931_100000185807 [0,2,0,0,0,0|2,0,0]=4 2339 B12R1.30 O=C(NCCF)c1ccccc1 527a_100000724931_100000185807 [0,2,0,0,0,0|2,0,0]=4 2340 B12R1.30 O=C(NCCO)c1ccccc1 240690a_100000210304_100000185807 [0,2,0,0,0,0|2,0,0]=4 2341 B12R1.30 O=C(NCCO)c1ccccc1 527a_100000210304_100000185807 [0,2,0,0,0,0|2,0,0]=4 2342 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_100000750707_200025704644 [0,2,0,0,0,0|1,1,0]=4 2343 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_200025704644_100000750707 [0,2,0,0,0,0|1,1,0]=4 2344 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_100000073877_200025704644 [0,2,0,0,0,0|1,0,0]=3 2345 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_200025704644_100000073877 [0,2,0,0,0,0|1,0,0]=3 2346 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [0,2,0,0,0,0|2,0,0]=4 2347 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,2,0,0,0,0|2,0,0]=4 2348 B12R1.107 CC(=O)CC(=O)c1cccnc1 1458a_100000070787_100015188593 [0,2,0,0,0,0|1,0,0]=3 2349 B12R1.107 CC(C)CC(=O)c1ccccc1 1458a_100000185807_100000210624 [0,2,0,0,0,0|2,0,0]=4 2350 B12R1.107 CC(C)NC(=O)c1ccccc1 11a_100138425928_100000185807 [0,2,0,0,0,0|2,0,0]=4 2351 B12R1.107 CC(C)NC(=O)c1ccccc1 1626a_100138425928_100000185807 [0,2,0,0,0,0|2,0,0]=4 2352 B12R1.107 CC(C)NC(=O)c1ccccc1 240690a_100138425928_100000185807 [0,2,0,0,0,0|2,0,0]=4 2353 B12R1.107 CC(C)NC(=O)c1ccccc1 527a_100138425928_100000185807 [0,2,0,0,0,0|2,0,0]=4 2354 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [0,2,0,0,0,0|2,0,0]=4 2355 B12R1.107 CN(C)CC(=O)c1ccccc1 269982a_100102631434_100000211460 [0,2,0,0,0,0|2,0,0]=4 2356 B12R1.107 CN(C)CC(=O)c1cccnc1 269982a_100102631434_100000757877 [0,2,0,0,0,0|1,0,0]=3 2357 B12R1.107 O=C(CC(F)F)c1ccccc1 1458a_100000185807_100011934356 [0,2,0,0,0,0|2,0,0]=4 2358 B12R1.308 CC(OCF)c1cccnc1Cl 34a_100009865335_100015361967 [0,2,0,0,0,0|1,0,1]=4 2359 B12R1.308 CC(OCF)c1cccnc1Cl 7a_100009865335_100015361967 [0,2,0,0,0,0|1,0,1]=4 2360 B12R1.308 CCCC(=O)c1ccccc1Br 1458a_100000188424_100000210303 [0,2,0,0,0,0|2,0,0]=4 2361 B12R1.308 CCCC(=O)c1ccccc1C 1458a_100000212026_100000210303 [0,2,0,0,0,0|2,0,0]=4 2362 B12R1.308 CCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210303 [0,2,0,0,0,0|2,0,0]=4 2363 B12R1.308 CCCC(=O)c1ccccc1F 1458a_100000188656_100000210303 [0,2,0,0,0,0|2,0,0]=4 2364 B12R1.308 CCCC(=O)c1ccccc1I 1458a_100000187884_100000210303 [0,2,0,0,0,0|2,0,0]=4 2365 B12R1.308 CCCC(=O)c1ccccc1O 1458a_100015234032_100000210303 [0,2,0,0,0,0|2,0,0]=4 2366 B12R1.308 CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210303 [0,2,0,0,0,0|2,0,0]=4 2367 B12R1.308 CCNC(=O)c1ccccc1Br 11a_100015525214_100000188424 [0,2,0,0,0,0|2,0,0]=4 2368 B12R1.308 CCNC(=O)c1ccccc1Br 240690a_100015525214_100000188424 [0,2,0,0,0,0|2,0,0]=4 2369 B12R1.308 CCNC(=O)c1ccccc1Br 527a_100015525214_100000188424 [0,2,0,0,0,0|2,0,0]=4 2370 B12R1.308 CCNC(=O)c1ccccc1C 11a_100015525214_100000212026 [0,2,0,0,0,0|2,0,0]=4 2371 B12R1.308 CCNC(=O)c1ccccc1C 240690a_100015525214_100000212026 [0,2,0,0,0,0|2,0,0]=4 2372 B12R1.308 CCNC(=O)c1ccccc1C 527a_100015525214_100000212026 [0,2,0,0,0,0|2,0,0]=4 2373 B12R1.308 CCNC(=O)c1ccccc1Cl 11a_100015525214_100000185844 [0,2,0,0,0,0|2,0,0]=4 2374 B12R1.308 CCNC(=O)c1ccccc1Cl 240690a_100015525214_100000185844 [0,2,0,0,0,0|2,0,0]=4 2375 B12R1.308 CCNC(=O)c1ccccc1Cl 527a_100015525214_100000185844 [0,2,0,0,0,0|2,0,0]=4 2376 B12R1.308 CCNC(=O)c1ccccc1F 11a_100015525214_100000188656 [0,2,0,0,0,0|2,0,0]=4 2377 B12R1.308 CCNC(=O)c1ccccc1F 240690a_100015525214_100000188656 [0,2,0,0,0,0|2,0,0]=4 2378 B12R1.308 CCNC(=O)c1ccccc1F 527a_100015525214_100000188656 [0,2,0,0,0,0|2,0,0]=4 2379 B12R1.308 CCNC(=O)c1ccccc1I 11a_100015525214_100000187884 [0,2,0,0,0,0|2,0,0]=4 2380 B12R1.308 CCNC(=O)c1ccccc1I 240690a_100015525214_100000187884 [0,2,0,0,0,0|2,0,0]=4 2381 B12R1.308 CCNC(=O)c1ccccc1I 527a_100015525214_100000187884 [0,2,0,0,0,0|2,0,0]=4 2382 B12R1.308 CCNC(=O)c1ccccc1O 240690a_100015525214_100015234032 [0,2,0,0,0,0|2,0,0]=4 2383 B12R1.308 CCNC(=O)c1ccccc1O 271570a_203496583355_200000155173 [0,2,0,0,0,0|2,0,0]=4 2384 B12R1.308 CCNC(=O)c1ccccc1[O-] 240690a_100015525214_100009911694 [0,2,0,0,0,0|2,0,0]=4 2385 B12R1.308 CCNC(=O)c1ccccc1[O-] 527a_100015525214_100009911694 [0,2,0,0,0,0|2,0,0]=4 2386 B12R1.308 CCNC(=O)c1cccnc1O 271570a_203496583355_100000160120 [0,2,0,0,0,0|1,0,0]=3 2387 B12R1.308 CCOC(=O)c1ccccc1O 271570a_203496583355_100000169879 [0,2,0,0,0,0|1,0,0]=3 2388 B12R1.308 CCOC(=O)c1cccnc1O 271570a_203496583355_100000170124 [0,2,0,0,0,0|0,0,0]=2 2389 B12R1.308 CCOC(=O)c1ccncc1O 271570a_203496583355_100010238393 [0,2,0,0,0,0|2,0,0]=4 2390 B12R1.308 CCOC(=O)c1cnccc1O 271570a_203496583355_100016987518 [0,2,0,0,0,0|0,0,0]=2 2391 B12R1.308 CCOC(=O)c1cncnc1O 271570a_203496583355_100011998183 [0,2,0,0,0,0|1,0,0]=3 2392 B12R1.308 CCOC(=O)c1ncccc1O 271570a_203496583355_100012351660 [0,2,0,0,0,0|2,0,0]=4 2393 B12R1.308 CCOC(C)c1cccnc1Cl 34a_100009865335_100000210202 [0,2,0,0,0,0|1,0,1]=4 2394 B12R1.308 CCOC(C)c1cccnc1Cl 7a_100009865335_100000210202 [0,2,0,0,0,0|1,0,1]=4 2395 B12R1.308 CNCC(=O)c1ccccc1Br 34a_100102657272_100000199116 [0,2,0,0,0,0|2,0,0]=4 2396 B12R1.308 CNCC(=O)c1ccccc1C 2230a_106832991635_100000741374 [0,2,0,0,0,0|2,0,0]=4 2397 B12R1.308 CNCC(=O)c1ccccc1C 34a_100102657272_100000741374 [0,2,0,0,0,0|2,0,0]=4 2398 B12R1.308 CNCC(=O)c1ccccc1C 7a_106832991635_100000741374 [0,2,0,0,0,0|2,0,0]=4 2399 B12R1.308 CNCC(=O)c1ccccc1Cl 34a_100102657272_100000211432 [0,2,0,0,0,0|2,0,0]=4 2400 B12R1.308 CNCC(=O)c1ccccc1F 34a_100102657272_100000204681 [0,2,0,0,0,0|2,0,0]=4 2401 B12R1.308 CNCC(=O)c1ccccc1F 7a_106832991635_100000204681 [0,2,0,0,0,0|2,0,0]=4 2402 B12R1.308 CNCC(=O)c1ccccc1O 7a_106832991635_100000188908 [0,2,0,0,0,0|2,0,0]=4 2403 B12R1.308 CNNC(=O)c1ccccc1Br 22a_100016993582_100000188424 [0,2,0,0,0,0|2,0,0]=4 2404 B12R1.308 CNNC(=O)c1ccccc1C 22a_100016993582_100000212026 [0,2,0,0,0,0|2,0,0]=4 2405 B12R1.308 CNNC(=O)c1ccccc1Cl 22a_100016993582_100000185844 [0,2,0,0,0,0|2,0,0]=4 2406 B12R1.308 CNNC(=O)c1ccccc1F 22a_100016993582_100000188656 [0,2,0,0,0,0|2,0,0]=4 2407 B12R1.308 CNNC(=O)c1ccccc1I 22a_100016993582_100000187884 [0,2,0,0,0,0|2,0,0]=4 2408 B12R1.308 CNNC(=O)c1ccccc1O 22a_100016993582_100015234032 [0,2,0,0,0,0|2,0,0]=4 2409 B12R1.308 CNNC(=O)c1ccccc1[O-] 22a_100016993582_100009911694 [0,2,0,0,0,0|2,0,0]=4 2410 B12R1.308 COCC(=O)c1ccccc1Br 34a_100138415774_100000199116 [0,2,0,0,0,0|1,0,0]=3 2411 B12R1.308 COCC(=O)c1ccccc1C 34a_100138415774_100000741374 [0,2,0,0,0,0|1,0,0]=3 2412 B12R1.308 COCC(=O)c1ccccc1Cl 34a_100138415774_100000211432 [0,2,0,0,0,0|1,0,0]=3 2413 B12R1.308 COCC(=O)c1ccccc1F 34a_100138415774_100000204681 [0,2,0,0,0,0|1,0,0]=3 2414 B12R1.308 CSCC(=O)c1ccccc1Br 62a_100000199116_200000210301 [0,2,0,0,0,0|1,1,0]=4 2415 B12R1.308 CSCC(=O)c1ccccc1C 62a_100000741374_200000210301 [0,2,0,0,0,0|1,1,0]=4 2416 B12R1.308 CSCC(=O)c1ccccc1C 62a_200000210301_100000741374 [0,2,0,0,0,0|1,1,0]=4 2417 B12R1.308 CSCC(=O)c1ccccc1Cl 62a_100000211432_200000210301 [0,2,0,0,0,0|1,1,0]=4 2418 B12R1.308 CSCC(=O)c1ccccc1Cl 62a_200000210301_100000211432 [0,2,0,0,0,0|1,1,0]=4 2419 B12R1.308 CSCC(=O)c1ccccc1F 62a_100000204681_200000210301 [0,2,0,0,0,0|1,1,0]=4 2420 B12R1.308 CSCC(=O)c1ccccc1F 62a_200000210301_100000204681 [0,2,0,0,0,0|1,1,0]=4 2421 B12R1.308 CSCC(=O)c1ccccc1O 62a_100000188908_200000210301 [0,2,0,0,0,0|1,1,0]=4 2422 B12R1.308 CSCC(=O)c1ccccc1O 62a_200000210301_100000188908 [0,2,0,0,0,0|1,1,0]=4 2423 B12R1.308 Cc1ccccc1C(=O)CCF 1458a_100000212026_100011217306 [0,2,0,0,0,0|2,0,0]=4 2424 B12R1.308 Cc1ccccc1C(=O)CCO 1458a_100000212026_100000211926 [0,2,0,0,0,0|2,0,0]=4 2425 B12R1.308 Cc1ccccc1C(=O)CS[13CH3] 62a_100000741374_200025704644 [0,2,0,0,0,0|1,1,0]=4 2426 B12R1.308 Cc1ccccc1C(=O)CS[13CH3] 62a_200025704644_100000741374 [0,2,0,0,0,0|1,1,0]=4 2427 B12R1.308 O=C(CCF)c1ccccc1Br 1458a_100000188424_100011217306 [0,2,0,0,0,0|2,0,0]=4 2428 B12R1.308 O=C(CCF)c1ccccc1Cl 1458a_100000185844_100011217306 [0,2,0,0,0,0|2,0,0]=4 2429 B12R1.308 O=C(CCF)c1ccccc1F 1458a_100000188656_100011217306 [0,2,0,0,0,0|2,0,0]=4 2430 B12R1.308 O=C(CCF)c1ccccc1I 1458a_100000187884_100011217306 [0,2,0,0,0,0|2,0,0]=4 2431 B12R1.308 O=C(CCF)c1ccccc1O 1458a_100015234032_100011217306 [0,2,0,0,0,0|2,0,0]=4 2432 B12R1.308 O=C(CCF)c1ccccc1[O-] 1458a_100009911694_100011217306 [0,2,0,0,0,0|2,0,0]=4 2433 B12R1.308 O=C(CCO)c1ccccc1Br 1458a_100000188424_100000211926 [0,2,0,0,0,0|2,0,0]=4 2434 B12R1.308 O=C(CCO)c1ccccc1Cl 1458a_100000185844_100000211926 [0,2,0,0,0,0|2,0,0]=4 2435 B12R1.308 O=C(CCO)c1ccccc1F 1458a_100000188656_100000211926 [0,2,0,0,0,0|2,0,0]=4 2436 B12R1.308 O=C(CCO)c1ccccc1I 1458a_100000187884_100000211926 [0,2,0,0,0,0|2,0,0]=4 2437 B12R1.308 O=C(CCO)c1ccccc1O 1458a_100015234032_100000211926 [0,2,0,0,0,0|2,0,0]=4 2438 B12R1.308 O=C(CCO)c1ccccc1[O-] 1458a_100009911694_100000211926 [0,2,0,0,0,0|2,0,0]=4 2439 B12R1.308 [13CH3]SCC(=O)c1ccccc1Br 62a_100000199116_200025704644 [0,2,0,0,0,0|1,1,0]=4 2440 B12R1.308 [13CH3]SCC(=O)c1ccccc1Cl 62a_100000211432_200025704644 [0,2,0,0,0,0|1,1,0]=4 2441 B12R1.308 [13CH3]SCC(=O)c1ccccc1Cl 62a_200025704644_100000211432 [0,2,0,0,0,0|1,1,0]=4 2442 B12R1.308 [13CH3]SCC(=O)c1ccccc1F 62a_100000204681_200025704644 [0,2,0,0,0,0|1,1,0]=4 2443 B12R1.308 [13CH3]SCC(=O)c1ccccc1F 62a_200025704644_100000204681 [0,2,0,0,0,0|1,1,0]=4 2444 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_100000188908_200025704644 [0,2,0,0,0,0|1,1,0]=4 2445 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_200025704644_100000188908 [0,2,0,0,0,0|1,1,0]=4 2446 B12R1.5 C#Cc1ccc(cc1)C(=O)CC 1458a_100011217615_100000210202 [0,2,0,0,0,0|2,0,0]=4 2447 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 11a_106832991635_100011217615 [0,2,0,0,0,0|2,0,0]=4 2448 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 1626a_100102657272_100011217615 [0,2,0,0,0,0|2,0,0]=4 2449 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 240690a_100102657272_100011217615 [0,2,0,0,0,0|2,0,0]=4 2450 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 527a_100102657272_100011217615 [0,2,0,0,0,0|2,0,0]=4 2451 B12R1.5 C=Cc1ccc(cc1)C(=O)CC 1458a_100000687532_100000210202 [0,2,0,0,0,0|2,0,0]=4 2452 B12R1.5 C=Cc1ccc(cc1)C(=O)CC 271570a_100011290941_100000211647 [0,2,0,0,0,0|2,0,0]=4 2453 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 11a_106832991635_100000687532 [0,2,0,0,0,0|2,0,0]=4 2454 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 1626a_100102657272_100000687532 [0,2,0,0,0,0|2,0,0]=4 2455 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 240690a_100102657272_100000687532 [0,2,0,0,0,0|2,0,0]=4 2456 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 271570a_100011290941_100000155074 [0,2,0,0,0,0|2,0,0]=4 2457 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 527a_100102657272_100000687532 [0,2,0,0,0,0|2,0,0]=4 2458 B12R1.5 C=Cc1ccc(cc1)C(=O)OC 271570a_100011290941_100000150774 [0,2,0,0,0,0|1,0,0]=3 2459 B12R1.5 C=Cc1ccc(cn1)C(=O)NC 271570a_100011290941_100000159860 [0,2,0,0,0,0|1,0,0]=3 2460 B12R1.5 C=Cc1ccc(cn1)C(=O)NN 271570a_100011290941_100000189807 [0,2,0,0,0,0|2,0,0]=4 2461 B12R1.5 C=Cc1ccc(cn1)C(=O)OC 271570a_100011290941_100000733799 [0,2,0,0,0,0|0,0,0]=2 2462 B12R1.5 C=Cc1ccc(nc1)C(=O)OC 271570a_100011290941_100000690920 [0,2,0,0,0,0|2,0,0]=4 2463 B12R1.5 C=Cc1ccc(nn1)C(=O)OC 271570a_100011290941_100009816182 [0,2,0,0,0,0|1,0,0]=3 2464 B12R1.5 C=Cc1cnc(cn1)C(=O)OC 271570a_100011290941_100010219404 [0,2,0,0,0,0|1,0,0]=3 2465 B12R1.5 C=Cc1ncc(cn1)C(=O)OC 271570a_100011290941_100000729365 [0,2,0,0,0,0|1,0,0]=3 2466 B12R1.5 CCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000210202 [0,2,0,0,0,0|2,0,0]=4 2467 B12R1.5 CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210202 [0,2,0,0,0,0|2,0,0]=4 2468 B12R1.5 CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210202 [0,2,0,0,0,0|2,0,0]=4 2469 B12R1.5 CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210202 [0,2,0,0,0,0|2,0,0]=4 2470 B12R1.5 CCC(=O)c1ccc(cc1)OC 34a_100000212119_200000210301 [0,2,0,0,0,0|2,0,0]=4 2471 B12R1.5 CCC(=O)c1ccc(cc1)OC 7a_100000212119_200000210301 [0,2,0,0,0,0|2,0,0]=4 2472 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 34a_100000212119_200025704644 [0,2,0,0,0,0|2,0,0]=4 2473 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 7a_100000212119_200025704644 [0,2,0,0,0,0|2,0,0]=4 2474 B12R1.5 CCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000210202 [0,2,0,0,0,0|2,0,0]=4 2475 B12R1.5 CCC(=O)c1ccc(cc1)SC 62a_100000211647_200000210301 [0,2,0,0,0,0|2,0,0]=4 2476 B12R1.5 CCC(=O)c1ccc(cc1)SC 62a_200000210301_100000211647 [0,2,0,0,0,0|2,0,0]=4 2477 B12R1.5 CCC(=O)c1ccc(cc1)S[13CH3] 62a_100000211647_200025704644 [0,2,0,0,0,0|2,0,0]=4 2478 B12R1.5 CCC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000211647 [0,2,0,0,0,0|2,0,0]=4 2479 B12R1.5 CCc1ccc(cc1)C(=O)NC 11a_106832991635_100000211226 [0,2,0,0,0,0|2,0,0]=4 2480 B12R1.5 CCc1ccc(cc1)C(=O)NC 1626a_100102657272_100000211226 [0,2,0,0,0,0|2,0,0]=4 2481 B12R1.5 CCc1ccc(cc1)C(=O)NC 240690a_100102657272_100000211226 [0,2,0,0,0,0|2,0,0]=4 2482 B12R1.5 CCc1ccc(cc1)C(=O)NC 527a_100102657272_100000211226 [0,2,0,0,0,0|2,0,0]=4 2483 B12R1.5 CNC(=O)c1ccc(cc1)C#N 11a_106832991635_100000210717 [0,2,0,0,0,0|2,0,0]=4 2484 B12R1.5 CNC(=O)c1ccc(cc1)C#N 1626a_100102657272_100000210717 [0,2,0,0,0,0|2,0,0]=4 2485 B12R1.5 CNC(=O)c1ccc(cc1)C#N 240690a_100102657272_100000210717 [0,2,0,0,0,0|2,0,0]=4 2486 B12R1.5 CNC(=O)c1ccc(cc1)C#N 527a_100102657272_100000210717 [0,2,0,0,0,0|2,0,0]=4 2487 B12R1.5 CNC(=O)c1ccc(cc1)CO 1626a_100102657272_100000183892 [0,2,0,0,0,0|2,0,0]=4 2488 B12R1.5 CNC(=O)c1ccc(cc1)CO 240690a_100102657272_100000183892 [0,2,0,0,0,0|2,0,0]=4 2489 B12R1.5 CNC(=O)c1ccc(cc1)NC 2230a_100000184841_200000210301 [0,2,0,0,0,0|2,0,0]=4 2490 B12R1.5 CNC(=O)c1ccc(cc1)NC 27a_100102657272_100000155074 [0,2,0,0,0,0|2,0,0]=4 2491 B12R1.5 CNC(=O)c1ccc(cc1)NC 34a_100000184841_200000210301 [0,2,0,0,0,0|2,0,0]=4 2492 B12R1.5 CNC(=O)c1ccc(cc1)N[13CH3] 2230a_100000184841_200025704644 [0,2,0,0,0,0|2,0,0]=4 2493 B12R1.5 CNC(=O)c1ccc(cc1)N[13CH3] 34a_100000184841_200025704644 [0,2,0,0,0,0|2,0,0]=4 2494 B12R1.5 CNC(=O)c1ccc(cc1)OC 11a_106832991635_100000184203 [0,2,0,0,0,0|2,0,0]=4 2495 B12R1.5 CNC(=O)c1ccc(cc1)OC 1626a_100102657272_100000184203 [0,2,0,0,0,0|2,0,0]=4 2496 B12R1.5 CNC(=O)c1ccc(cc1)OC 240690a_100102657272_100000184203 [0,2,0,0,0,0|2,0,0]=4 2497 B12R1.5 CNC(=O)c1ccc(cc1)OC 34a_100000192141_200000210301 [0,2,0,0,0,0|2,0,0]=4 2498 B12R1.5 CNC(=O)c1ccc(cc1)OC 527a_100102657272_100000184203 [0,2,0,0,0,0|2,0,0]=4 2499 B12R1.5 CNC(=O)c1ccc(cc1)OC 7a_100000192141_200000210301 [0,2,0,0,0,0|2,0,0]=4 2500 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 34a_100000192141_200025704644 [0,2,0,0,0,0|2,0,0]=4 2501 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 7a_100000192141_200025704644 [0,2,0,0,0,0|2,0,0]=4 2502 B12R1.5 CNC(=O)c1ccc(cc1)SC 11a_106832991635_100000189692 [0,2,0,0,0,0|2,0,0]=4 2503 B12R1.5 CNC(=O)c1ccc(cc1)SC 1626a_100102657272_100000189692 [0,2,0,0,0,0|2,0,0]=4 2504 B12R1.5 CNC(=O)c1ccc(cc1)SC 240690a_100102657272_100000189692 [0,2,0,0,0,0|2,0,0]=4 2505 B12R1.5 CNC(=O)c1ccc(cc1)SC 527a_100102657272_100000189692 [0,2,0,0,0,0|2,0,0]=4 2506 B12R1.5 CNC(=O)c1ccc(cc1)SC 62a_100000155074_200000210301 [0,2,0,0,0,0|2,0,0]=4 2507 B12R1.5 CNC(=O)c1ccc(cc1)SC 62a_200000210301_100000155074 [0,2,0,0,0,0|2,0,0]=4 2508 B12R1.5 CNC(=O)c1ccc(cc1)S[13CH3] 62a_100000155074_200025704644 [0,2,0,0,0,0|2,0,0]=4 2509 B12R1.5 CNC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000155074 [0,2,0,0,0,0|2,0,0]=4 2510 B12R1.5 CNC(=O)c1ccc(nc1)NC 27a_100102657272_100000159860 [0,2,0,0,0,0|1,0,0]=3 2511 B12R1.5 CNC(=O)c1ccc(nc1)SC 62a_100000159860_200000210301 [0,2,0,0,0,0|1,0,0]=3 2512 B12R1.5 CNC(=O)c1ccc(nc1)SC 62a_200000210301_100000159860 [0,2,0,0,0,0|1,0,0]=3 2513 B12R1.5 CNC(=O)c1ccc(nc1)S[13CH3] 62a_100000159860_200025704644 [0,2,0,0,0,0|1,0,0]=3 2514 B12R1.5 CNC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000159860 [0,2,0,0,0,0|1,0,0]=3 2515 B12R1.5 CNc1ccc(cn1)C(=O)NN 27a_100102657272_100000189807 [0,2,0,0,0,0|2,0,0]=4 2516 B12R1.5 CNc1ccc(cn1)C(=O)OC 27a_100102657272_100000733799 [0,2,0,0,0,0|0,0,0]=2 2517 B12R1.5 CNc1ccc(nn1)C(=O)OC 27a_100102657272_100000738951 [0,2,0,0,0,0|1,0,0]=3 2518 B12R1.5 CNc1cnc(cn1)C(=O)OC 27a_100102657272_100010219404 [0,2,0,0,0,0|1,0,0]=3 2519 B12R1.5 CNc1ncc(cn1)C(=O)OC 27a_100102657272_100000729365 [0,2,0,0,0,0|1,0,0]=3 2520 B12R1.5 COC(=O)c1ccc(cc1)OC 34a_100000150123_200000210301 [0,2,0,0,0,0|1,0,0]=3 2521 B12R1.5 COC(=O)c1ccc(cc1)OC 7a_100000150123_200000210301 [0,2,0,0,0,0|1,0,0]=3 2522 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 34a_100000150123_200025704644 [0,2,0,0,0,0|1,0,0]=3 2523 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 7a_100000150123_200025704644 [0,2,0,0,0,0|1,0,0]=3 2524 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_100000150774_200000210301 [0,2,0,0,0,0|1,0,0]=3 2525 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_200000210301_100000150774 [0,2,0,0,0,0|1,0,0]=3 2526 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_100000150774_200025704644 [0,2,0,0,0,0|1,0,0]=3 2527 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000150774 [0,2,0,0,0,0|1,0,0]=3 2528 B12R1.5 COC(=O)c1ccc(cn1)OC 34a_100011997255_200000210301 [0,2,0,0,0,0|2,0,0]=4 2529 B12R1.5 COC(=O)c1ccc(cn1)OC 7a_100011997255_200000210301 [0,2,0,0,0,0|2,0,0]=4 2530 B12R1.5 COC(=O)c1ccc(cn1)O[13CH3] 34a_100011997255_200025704644 [0,2,0,0,0,0|2,0,0]=4 2531 B12R1.5 COC(=O)c1ccc(cn1)O[13CH3] 7a_100011997255_200025704644 [0,2,0,0,0,0|2,0,0]=4 2532 B12R1.5 COC(=O)c1ccc(cn1)SC 62a_100102712061_200000210301 [0,2,0,0,0,0|2,0,0]=4 2533 B12R1.5 COC(=O)c1ccc(cn1)SC 62a_200000210301_100102712061 [0,2,0,0,0,0|2,0,0]=4 2534 B12R1.5 COC(=O)c1ccc(cn1)S[13CH3] 62a_100102712061_200025704644 [0,2,0,0,0,0|2,0,0]=4 2535 B12R1.5 COC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100102712061 [0,2,0,0,0,0|2,0,0]=4 2536 B12R1.5 COC(=O)c1ccc(nc1)SC 62a_100000733799_200000210301 [0,2,0,0,0,0|0,0,0]=2 2537 B12R1.5 COC(=O)c1ccc(nc1)SC 62a_200000210301_100000733799 [0,2,0,0,0,0|0,0,0]=2 2538 B12R1.5 COC(=O)c1ccc(nc1)S[13CH3] 62a_100000733799_200025704644 [0,2,0,0,0,0|0,0,0]=2 2539 B12R1.5 COC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000733799 [0,2,0,0,0,0|0,0,0]=2 2540 B12R1.5 COC(=O)c1ccc(nn1)SC 62a_100000738951_200000210301 [0,2,0,0,0,0|1,0,0]=3 2541 B12R1.5 COC(=O)c1ccc(nn1)SC 62a_200000210301_100000738951 [0,2,0,0,0,0|1,0,0]=3 2542 B12R1.5 COC(=O)c1ccc(nn1)S[13CH3] 62a_100000738951_200025704644 [0,2,0,0,0,0|1,0,0]=3 2543 B12R1.5 COC(=O)c1ccc(nn1)S[13CH3] 62a_200025704644_100000738951 [0,2,0,0,0,0|1,0,0]=3 2544 B12R1.5 COC(=O)c1cnc(cn1)SC 62a_100010219404_200000210301 [0,2,0,0,0,0|1,0,0]=3 2545 B12R1.5 COC(=O)c1cnc(cn1)SC 62a_200000210301_100010219404 [0,2,0,0,0,0|1,0,0]=3 2546 B12R1.5 COC(=O)c1cnc(cn1)S[13CH3] 62a_100010219404_200025704644 [0,2,0,0,0,0|1,0,0]=3 2547 B12R1.5 COC(=O)c1cnc(cn1)S[13CH3] 62a_200025704644_100010219404 [0,2,0,0,0,0|1,0,0]=3 2548 B12R1.5 COC(=O)c1cnc(nc1)SC 62a_100000729365_200000210301 [0,2,0,0,0,0|1,0,0]=3 2549 B12R1.5 COC(=O)c1cnc(nc1)SC 62a_200000210301_100000729365 [0,2,0,0,0,0|1,0,0]=3 2550 B12R1.5 COC(=O)c1cnc(nc1)S[13CH3] 62a_100000729365_200025704644 [0,2,0,0,0,0|1,0,0]=3 2551 B12R1.5 COC(=O)c1cnc(nc1)S[13CH3] 62a_200025704644_100000729365 [0,2,0,0,0,0|1,0,0]=3 2552 B12R1.5 CSc1ccc(cn1)C(=O)NN 62a_100000189807_200000210301 [0,2,0,0,0,0|2,0,0]=4 2553 B12R1.5 CSc1ccc(cn1)C(=O)NN 62a_200000210301_100000189807 [0,2,0,0,0,0|2,0,0]=4 2554 B12R1.5 [13CH3]Sc1ccc(cn1)C(=O)NN 62a_100000189807_200025704644 [0,2,0,0,0,0|2,0,0]=4 2555 B12R1.5 [13CH3]Sc1ccc(cn1)C(=O)NN 62a_200025704644_100000189807 [0,2,0,0,0,0|2,0,0]=4 2556 B12R1.20 CC(=C(C)c1ccc(nc1)Br)C 271570a_200000049429_100009814638 [0,2,0,0,0,0|2,0,0]=4 2557 B12R1.20 CC(=C(C)c1ccc(nc1)C)C 271570a_200000049429_100000751577 [0,2,0,0,0,0|2,0,0]=4 2558 B12R1.20 CC(=C(C)c1ccc(nc1)Cl)C 271570a_200000049429_100000034144 [0,2,0,0,0,0|2,0,0]=4 2559 B12R1.20 CC(=C(C)c1ccc(nc1)F)C 271570a_200000049429_100000748661 [0,2,0,0,0,0|2,0,0]=4 2560 B12R1.20 CC(=C(C)c1ccc(nc1)N)C 271570a_200000049429_100000187370 [0,2,0,0,0,0|2,0,0]=4 2561 B12R1.20 CC(C)C(=O)c1ccc(cc1)Br 1458a_100000185839_100000210206 [0,2,0,0,0,0|2,0,0]=4 2562 B12R1.20 CC(C)C(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210206 [0,2,0,0,0,0|2,0,0]=4 2563 B12R1.20 CC(C)C(=O)c1ccc(cc1)F 1458a_100000187176_100000210206 [0,2,0,0,0,0|2,0,0]=4 2564 B12R1.20 CC(C)C(=O)c1ccc(cc1)I 1458a_100000187904_100000210206 [0,2,0,0,0,0|2,0,0]=4 2565 B12R1.20 CC(C)C(=O)c1ccc(cc1)O 1458a_100000212099_100000210206 [0,2,0,0,0,0|2,0,0]=4 2566 B12R1.20 CC(C)C(=O)c1ccc(cc1)O 271570a_203496583355_100011220430 [0,2,0,0,0,0|2,0,0]=4 2567 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 11a_100102631434_100000185839 [0,2,0,0,0,0|2,0,0]=4 2568 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 1626a_100102631434_100000185839 [0,2,0,0,0,0|2,0,0]=4 2569 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 240690a_100102631434_100000185839 [0,2,0,0,0,0|2,0,0]=4 2570 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br 527a_100102631434_100000185839 [0,2,0,0,0,0|2,0,0]=4 2571 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 11a_100102631434_100000210187 [0,2,0,0,0,0|2,0,0]=4 2572 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 1626a_100102631434_100000210187 [0,2,0,0,0,0|2,0,0]=4 2573 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 240690a_100102631434_100000210187 [0,2,0,0,0,0|2,0,0]=4 2574 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl 527a_100102631434_100000210187 [0,2,0,0,0,0|2,0,0]=4 2575 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 11a_100102631434_100000187176 [0,2,0,0,0,0|2,0,0]=4 2576 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 1626a_100102631434_100000187176 [0,2,0,0,0,0|2,0,0]=4 2577 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 240690a_100102631434_100000187176 [0,2,0,0,0,0|2,0,0]=4 2578 B12R1.20 CN(C)C(=O)c1ccc(cc1)F 527a_100102631434_100000187176 [0,2,0,0,0,0|2,0,0]=4 2579 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 11a_100102631434_100000187904 [0,2,0,0,0,0|2,0,0]=4 2580 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 1626a_100102631434_100000187904 [0,2,0,0,0,0|2,0,0]=4 2581 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 240690a_100102631434_100000187904 [0,2,0,0,0,0|2,0,0]=4 2582 B12R1.20 CN(C)C(=O)c1ccc(cc1)I 527a_100102631434_100000187904 [0,2,0,0,0,0|2,0,0]=4 2583 B12R1.20 CN(C)C(=O)c1ccc(cc1)O 240690a_100102631434_100000212099 [0,2,0,0,0,0|2,0,0]=4 2584 B12R1.20 CN(C)C(=O)c1ccc(cc1)O 271570a_203496583355_100000159574 [0,2,0,0,0,0|2,0,0]=4 2585 B12R1.20 CN(C)C(=O)c1ccc(cc1)O 527a_100102631434_100000212099 [0,2,0,0,0,0|2,0,0]=4 2586 B12R1.20 CN(C)C(=O)c1ccc(nc1)O 271570a_203496583355_100000159593 [0,2,0,0,0,0|1,0,0]=3 2587 B12R1.20 Cc1ccc(cc1)C(=O)C(C)C 1458a_100000188618_100000210206 [0,2,0,0,0,0|2,0,0]=4 2588 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 11a_100102631434_100000188618 [0,2,0,0,0,0|2,0,0]=4 2589 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 1626a_100102631434_100000188618 [0,2,0,0,0,0|2,0,0]=4 2590 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 240690a_100102631434_100000188618 [0,2,0,0,0,0|2,0,0]=4 2591 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C 527a_100102631434_100000188618 [0,2,0,0,0,0|2,0,0]=4 2592 B12R1.367 CCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000210202 [0,2,0,0,0,0|2,0,0]=4 2593 B12R1.367 CCC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_100000210202 [0,2,0,0,0,0|2,0,0]=4 2594 B12R1.367 CCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000210202 [0,2,0,0,0,0|2,0,0]=4 2595 B12R1.367 CCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000210202 [0,2,0,0,0,0|2,0,0]=4 2596 B12R1.367 CCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000210202 [0,2,0,0,0,0|2,0,0]=4 2597 B12R1.367 CCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210202 [0,2,0,0,0,0|2,0,0]=4 2598 B12R1.367 CCC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000210202 [0,2,0,0,0,0|2,0,0]=4 2599 B12R1.367 CCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000210202 [0,2,0,0,0,0|2,0,0]=4 2600 B12R1.367 CCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000210202 [0,2,0,0,0,0|2,0,0]=4 2601 B12R1.367 CCC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000210202 [0,2,0,0,0,0|2,0,0]=4 2602 B12R1.367 CCC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000210202 [0,2,0,0,0,0|2,0,0]=4 2603 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210202 [0,2,0,0,0,0|2,0,0]=4 2604 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012349626 [0,2,0,0,0,0|2,0,0]=4 2605 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000210202 [0,2,0,0,0,0|2,0,0]=4 2606 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_100000210202 [0,2,0,0,0,0|2,0,0]=4 2607 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000210202 [0,2,0,0,0,0|2,0,0]=4 2608 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000210202 [0,2,0,0,0,0|2,0,0]=4 2609 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000210202 [0,2,0,0,0,0|2,0,0]=4 2610 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210202 [0,2,0,0,0,0|2,0,0]=4 2611 B12R1.367 CCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000210202 [0,2,0,0,0,0|2,0,0]=4 2612 B12R1.367 CCC(=O)c1ccc(c(c1)F)C 1458a_100000212313_100000210202 [0,2,0,0,0,0|2,0,0]=4 2613 B12R1.367 CCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000210202 [0,2,0,0,0,0|2,0,0]=4 2614 B12R1.367 CCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000210202 [0,2,0,0,0,0|2,0,0]=4 2615 B12R1.367 CCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000210202 [0,2,0,0,0,0|2,0,0]=4 2616 B12R1.367 CCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210202 [0,2,0,0,0,0|2,0,0]=4 2617 B12R1.367 CCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000210202 [0,2,0,0,0,0|2,0,0]=4 2618 B12R1.367 CCC(=O)c1ccc(c(c1)I)C 1458a_100000751299_100000210202 [0,2,0,0,0,0|2,0,0]=4 2619 B12R1.367 CCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000210202 [0,2,0,0,0,0|2,0,0]=4 2620 B12R1.367 CCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000210202 [0,2,0,0,0,0|2,0,0]=4 2621 B12R1.367 CCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000210202 [0,2,0,0,0,0|2,0,0]=4 2622 B12R1.367 CCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210202 [0,2,0,0,0,0|2,0,0]=4 2623 B12R1.367 CCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210202 [0,2,0,0,0,0|2,0,0]=4 2624 B12R1.367 CCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210202 [0,2,0,0,0,0|2,0,0]=4 2625 B12R1.367 CCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210202 [0,2,0,0,0,0|2,0,0]=4 2626 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210202 [0,2,0,0,0,0|2,0,0]=4 2627 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011216493 [0,2,0,0,0,0|2,0,0]=4 2628 B12R1.367 CCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210202 [0,2,0,0,0,0|2,0,0]=4 2629 B12R1.367 CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210202 [0,2,0,0,0,0|2,0,0]=4 2630 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 11a_106832991635_100012339404 [0,2,0,0,0,0|2,0,0]=4 2631 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 1626a_100102657272_100012339404 [0,2,0,0,0,0|2,0,0]=4 2632 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 240690a_100102657272_100012339404 [0,2,0,0,0,0|2,0,0]=4 2633 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 527a_100102657272_100012339404 [0,2,0,0,0,0|2,0,0]=4 2634 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 11a_106832991635_100000186397 [0,2,0,0,0,0|2,0,0]=4 2635 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 1626a_100102657272_100000186397 [0,2,0,0,0,0|2,0,0]=4 2636 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 240690a_100102657272_100000186397 [0,2,0,0,0,0|2,0,0]=4 2637 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 527a_100102657272_100000186397 [0,2,0,0,0,0|2,0,0]=4 2638 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 11a_106832991635_100000691181 [0,2,0,0,0,0|2,0,0]=4 2639 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 1626a_100102657272_100000691181 [0,2,0,0,0,0|2,0,0]=4 2640 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 240690a_100102657272_100000691181 [0,2,0,0,0,0|2,0,0]=4 2641 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 527a_100102657272_100000691181 [0,2,0,0,0,0|2,0,0]=4 2642 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 11a_106832991635_100000760357 [0,2,0,0,0,0|2,0,0]=4 2643 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 1626a_100102657272_100000760357 [0,2,0,0,0,0|2,0,0]=4 2644 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 240690a_100102657272_100000760357 [0,2,0,0,0,0|2,0,0]=4 2645 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 527a_100102657272_100000760357 [0,2,0,0,0,0|2,0,0]=4 2646 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 11a_106832991635_100000739115 [0,2,0,0,0,0|2,0,0]=4 2647 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 1626a_100102657272_100000739115 [0,2,0,0,0,0|2,0,0]=4 2648 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 240690a_100102657272_100000739115 [0,2,0,0,0,0|2,0,0]=4 2649 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 527a_100102657272_100000739115 [0,2,0,0,0,0|2,0,0]=4 2650 B12R1.367 CNC(=O)c1ccc(c(c1)Br)O 240690a_100102657272_100000189672 [0,2,0,0,0,0|2,0,0]=4 2651 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 11a_106832991635_100000692631 [0,2,0,0,0,0|2,0,0]=4 2652 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 1626a_100102657272_100000692631 [0,2,0,0,0,0|2,0,0]=4 2653 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 240690a_100102657272_100000692631 [0,2,0,0,0,0|2,0,0]=4 2654 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 527a_100102657272_100000692631 [0,2,0,0,0,0|2,0,0]=4 2655 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 11a_106832991635_100000210898 [0,2,0,0,0,0|2,0,0]=4 2656 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 1626a_100102657272_100000210898 [0,2,0,0,0,0|2,0,0]=4 2657 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 240690a_100102657272_100000210898 [0,2,0,0,0,0|2,0,0]=4 2658 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 527a_100102657272_100000210898 [0,2,0,0,0,0|2,0,0]=4 2659 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 11a_106832991635_100000686306 [0,2,0,0,0,0|2,0,0]=4 2660 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 1626a_100102657272_100000686306 [0,2,0,0,0,0|2,0,0]=4 2661 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 240690a_100102657272_100000686306 [0,2,0,0,0,0|2,0,0]=4 2662 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 527a_100102657272_100000686306 [0,2,0,0,0,0|2,0,0]=4 2663 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 11a_106832991635_100000751819 [0,2,0,0,0,0|2,0,0]=4 2664 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 1626a_100102657272_100000751819 [0,2,0,0,0,0|2,0,0]=4 2665 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 240690a_100102657272_100000751819 [0,2,0,0,0,0|2,0,0]=4 2666 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 527a_100102657272_100000751819 [0,2,0,0,0,0|2,0,0]=4 2667 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 11a_106832991635_100000751300 [0,2,0,0,0,0|2,0,0]=4 2668 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 1626a_100102657272_100000751300 [0,2,0,0,0,0|2,0,0]=4 2669 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 240690a_100102657272_100000751300 [0,2,0,0,0,0|2,0,0]=4 2670 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 527a_100102657272_100000751300 [0,2,0,0,0,0|2,0,0]=4 2671 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 240690a_100102657272_100000685612 [0,2,0,0,0,0|2,0,0]=4 2672 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200013065384 [0,2,0,0,0,0|2,0,0]=4 2673 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 11a_106832991635_100000687082 [0,2,0,0,0,0|2,0,0]=4 2674 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 1626a_100102657272_100000687082 [0,2,0,0,0,0|2,0,0]=4 2675 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 240690a_100102657272_100000687082 [0,2,0,0,0,0|2,0,0]=4 2676 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 527a_100102657272_100000687082 [0,2,0,0,0,0|2,0,0]=4 2677 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 11a_106832991635_100000751740 [0,2,0,0,0,0|2,0,0]=4 2678 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 1626a_100102657272_100000751740 [0,2,0,0,0,0|2,0,0]=4 2679 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 240690a_100102657272_100000751740 [0,2,0,0,0,0|2,0,0]=4 2680 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 527a_100102657272_100000751740 [0,2,0,0,0,0|2,0,0]=4 2681 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 11a_106832991635_100000210401 [0,2,0,0,0,0|2,0,0]=4 2682 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 1626a_100102657272_100000210401 [0,2,0,0,0,0|2,0,0]=4 2683 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 240690a_100102657272_100000210401 [0,2,0,0,0,0|2,0,0]=4 2684 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 527a_100102657272_100000210401 [0,2,0,0,0,0|2,0,0]=4 2685 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 11a_106832991635_100000686462 [0,2,0,0,0,0|2,0,0]=4 2686 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 1626a_100102657272_100000686462 [0,2,0,0,0,0|2,0,0]=4 2687 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 240690a_100102657272_100000686462 [0,2,0,0,0,0|2,0,0]=4 2688 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 527a_100102657272_100000686462 [0,2,0,0,0,0|2,0,0]=4 2689 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 11a_106832991635_100000684831 [0,2,0,0,0,0|2,0,0]=4 2690 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 1626a_100102657272_100000684831 [0,2,0,0,0,0|2,0,0]=4 2691 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 240690a_100102657272_100000684831 [0,2,0,0,0,0|2,0,0]=4 2692 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 527a_100102657272_100000684831 [0,2,0,0,0,0|2,0,0]=4 2693 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 240690a_100102657272_100000212196 [0,2,0,0,0,0|2,0,0]=4 2694 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 527a_100102657272_100000212196 [0,2,0,0,0,0|2,0,0]=4 2695 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 11a_106832991635_100000743946 [0,2,0,0,0,0|2,0,0]=4 2696 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 1626a_100102657272_100000743946 [0,2,0,0,0,0|2,0,0]=4 2697 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 240690a_100102657272_100000743946 [0,2,0,0,0,0|2,0,0]=4 2698 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 527a_100102657272_100000743946 [0,2,0,0,0,0|2,0,0]=4 2699 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 11a_106832991635_100000212313 [0,2,0,0,0,0|2,0,0]=4 2700 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 1626a_100102657272_100000212313 [0,2,0,0,0,0|2,0,0]=4 2701 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 240690a_100102657272_100000212313 [0,2,0,0,0,0|2,0,0]=4 2702 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 527a_100102657272_100000212313 [0,2,0,0,0,0|2,0,0]=4 2703 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 11a_106832991635_100000743183 [0,2,0,0,0,0|2,0,0]=4 2704 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 1626a_100102657272_100000743183 [0,2,0,0,0,0|2,0,0]=4 2705 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 240690a_100102657272_100000743183 [0,2,0,0,0,0|2,0,0]=4 2706 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 527a_100102657272_100000743183 [0,2,0,0,0,0|2,0,0]=4 2707 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 11a_106832991635_100000209822 [0,2,0,0,0,0|2,0,0]=4 2708 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 1626a_100102657272_100000209822 [0,2,0,0,0,0|2,0,0]=4 2709 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 240690a_100102657272_100000209822 [0,2,0,0,0,0|2,0,0]=4 2710 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 527a_100102657272_100000209822 [0,2,0,0,0,0|2,0,0]=4 2711 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 11a_106832991635_100000062624 [0,2,0,0,0,0|2,0,0]=4 2712 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 1626a_100102657272_100000062624 [0,2,0,0,0,0|2,0,0]=4 2713 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 240690a_100102657272_100000062624 [0,2,0,0,0,0|2,0,0]=4 2714 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 527a_100102657272_100000062624 [0,2,0,0,0,0|2,0,0]=4 2715 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 240690a_100102657272_100000185466 [0,2,0,0,0,0|2,0,0]=4 2716 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 527a_100102657272_100000185466 [0,2,0,0,0,0|2,0,0]=4 2717 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 11a_106832991635_100012343876 [0,2,0,0,0,0|2,0,0]=4 2718 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 1626a_100102657272_100012343876 [0,2,0,0,0,0|2,0,0]=4 2719 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 240690a_100102657272_100012343876 [0,2,0,0,0,0|2,0,0]=4 2720 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 527a_100102657272_100012343876 [0,2,0,0,0,0|2,0,0]=4 2721 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 11a_106832991635_100000751299 [0,2,0,0,0,0|2,0,0]=4 2722 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 1626a_100102657272_100000751299 [0,2,0,0,0,0|2,0,0]=4 2723 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 240690a_100102657272_100000751299 [0,2,0,0,0,0|2,0,0]=4 2724 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 527a_100102657272_100000751299 [0,2,0,0,0,0|2,0,0]=4 2725 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 11a_106832991635_100000739381 [0,2,0,0,0,0|2,0,0]=4 2726 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 1626a_100102657272_100000739381 [0,2,0,0,0,0|2,0,0]=4 2727 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 240690a_100102657272_100000739381 [0,2,0,0,0,0|2,0,0]=4 2728 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 527a_100102657272_100000739381 [0,2,0,0,0,0|2,0,0]=4 2729 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 11a_106832991635_100000688015 [0,2,0,0,0,0|2,0,0]=4 2730 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 1626a_100102657272_100000688015 [0,2,0,0,0,0|2,0,0]=4 2731 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 240690a_100102657272_100000688015 [0,2,0,0,0,0|2,0,0]=4 2732 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 527a_100102657272_100000688015 [0,2,0,0,0,0|2,0,0]=4 2733 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 11a_106832991635_100000725830 [0,2,0,0,0,0|2,0,0]=4 2734 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 1626a_100102657272_100000725830 [0,2,0,0,0,0|2,0,0]=4 2735 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 240690a_100102657272_100000725830 [0,2,0,0,0,0|2,0,0]=4 2736 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 527a_100102657272_100000725830 [0,2,0,0,0,0|2,0,0]=4 2737 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 1626a_100102657272_100000037485 [0,2,0,0,0,0|2,0,0]=4 2738 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 240690a_100102657272_100000037485 [0,2,0,0,0,0|2,0,0]=4 2739 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 240690a_100102657272_100000689001 [0,2,0,0,0,0|2,0,0]=4 2740 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 527a_100102657272_100000689001 [0,2,0,0,0,0|2,0,0]=4 2741 B12R1.367 CNC(=O)c1ccc(c(c1)O)C 240690a_100102657272_100000233767 [0,2,0,0,0,0|2,0,0]=4 2742 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 240690a_100102657272_100011933997 [0,2,0,0,0,0|2,0,0]=4 2743 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 527a_100102657272_100011933997 [0,2,0,0,0,0|2,0,0]=4 2744 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 240690a_100102657272_100000035894 [0,2,0,0,0,0|2,0,0]=4 2745 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 271570a_203496583355_200012359898 [0,2,0,0,0,0|2,0,0]=4 2746 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 527a_100102657272_100000035894 [0,2,0,0,0,0|2,0,0]=4 2747 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 1626a_100102657272_100000239334 [0,2,0,0,0,0|2,0,0]=4 2748 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 240690a_100102657272_100000239334 [0,2,0,0,0,0|2,0,0]=4 2749 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 527a_100102657272_100000239334 [0,2,0,0,0,0|2,0,0]=4 2750 B12R1.367 COC(=O)c1cc(c(cn1)C)O 271570a_203496583355_100000065005 [0,2,0,0,0,0|2,0,0]=4 2751 B12R1.367 COC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100010080863 [0,2,0,0,0,0|2,0,0]=4 2752 B12R1.367 COC(=O)c1cc(c(cn1)O)N 271570a_203496583355_100016001589 [0,2,0,0,0,0|2,0,0]=4 2753 B12R1.367 COC(=O)c1cc(c(nn1)O)C 271570a_203496583355_100102422153 [0,2,0,0,0,0|1,0,0]=3 2754 B12R1.367 COC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100011294788 [0,2,0,0,0,0|1,0,0]=3 2755 B12R1.367 COC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100011215878 [0,2,0,0,0,0|1,0,0]=3 2756 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O 271570a_203496583355_100012356344 [0,2,0,0,0,0|1,0,0]=3 2757 B12R1.367 COC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000703229 [0,2,0,0,0,0|1,0,0]=3 2758 B12R1.367 COC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100011450966 [0,2,0,0,0,0|1,0,0]=3 2759 B12R1.367 COC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100012349818 [0,2,0,0,0,0|1,0,0]=3 2760 B12R1.367 COC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011218856 [0,2,0,0,0,0|1,0,0]=3 2761 B12R1.367 COC(=O)c1ccc(c(c1)O)Cl 271570a_203496583355_100011294800 [0,2,0,0,0,0|1,0,0]=3 2762 B12R1.367 COC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000722584 [0,2,0,0,0,0|1,0,0]=3 2763 B12R1.367 COC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100000187552 [0,2,0,0,0,0|1,0,0]=3 2764 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100000216328 [0,2,0,0,0,0|1,0,0]=3 2765 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012350776 [0,2,0,0,0,0|1,0,0]=3 2766 B12R1.367 COC(=O)c1ccc(c(n1)C)O 271570a_203496583355_100010207261 [0,2,0,0,0,0|2,0,0]=4 2767 B12R1.367 COC(=O)c1ccc(c(n1)F)O 271570a_203496583355_100010189630 [0,2,0,0,0,0|2,0,0]=4 2768 B12R1.367 COC(=O)c1ccc(c(n1)N)O 271570a_203496583355_100010187631 [0,2,0,0,0,0|2,0,0]=4 2769 B12R1.367 COC(=O)c1ccc(c(n1)O)C 271570a_203496583355_100010143800 [0,2,0,0,0,0|2,0,0]=4 2770 B12R1.367 COC(=O)c1ccc(c(n1)O)F 271570a_203496583355_100010189626 [0,2,0,0,0,0|2,0,0]=4 2771 B12R1.367 COC(=O)c1ccc(c(n1)O)O 271570a_203496583355_100010189637 [0,2,0,0,0,0|2,0,0]=4 2772 B12R1.367 COC(=O)c1ccc(c(n1)O)O 271570a_203496583355_200009815348 [0,2,0,0,0,0|2,0,0]=4 2773 B12R1.367 COC(=O)c1cnc(c(c1)Br)O 271570a_203496583355_100010114297 [0,2,0,0,0,0|0,0,0]=2 2774 B12R1.367 COC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009862495 [0,2,0,0,0,0|0,0,0]=2 2775 B12R1.367 COC(=O)c1cnc(c(c1)F)O 271570a_203496583355_100010189625 [0,2,0,0,0,0|0,0,0]=2 2776 B12R1.367 COC(=O)c1cnc(c(c1)N)O 271570a_203496583355_100000079130 [0,2,0,0,0,0|0,0,0]=2 2777 B12R1.367 COC(=O)c1cnc(c(c1)O)Cl 271570a_203496583355_100010188758 [0,2,0,0,0,0|0,0,0]=2 2778 B12R1.367 COC(=O)c1cnc(c(c1)O)F 271570a_203496583355_100000117919 [0,2,0,0,0,0|0,0,0]=2 2779 B12R1.367 COC(=O)c1cnc(c(c1)O)N 271570a_203496583355_100009816800 [0,2,0,0,0,0|0,0,0]=2 2780 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010109663 [0,2,0,0,0,0|0,0,0]=2 2781 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010999399 [0,2,0,0,0,0|0,0,0]=2 2782 B12R1.367 COC(=O)c1cnc(c(n1)C)O 271570a_203496583355_100000109192 [0,2,0,0,0,0|1,0,0]=3 2783 B12R1.367 COC(=O)c1cnc(c(n1)O)C 271570a_203496583355_200010778766 [0,2,0,0,0,0|1,0,0]=3 2784 B12R1.367 COC(=O)c1cnc(c(n1)O)F 271570a_203496583355_100010896985 [0,2,0,0,0,0|1,0,0]=3 2785 B12R1.367 COC(=O)c1coc(=O)c(c1)O 271570a_203496583355_100009812866 [0,2,0,0,0,0|1,0,0]=3 2786 B12R1.1703 CC(O[13CH3])c1ccc(nc1Cl)Cl 34a_100010751269_200025704644 [0,2,0,0,0,0|1,0,1]=4 2787 B12R1.1703 CC(O[13CH3])c1ccc(nc1Cl)Cl 7a_100010751269_200025704644 [0,2,0,0,0,0|1,0,1]=4 2788 B12R1.1703 CCC(=O)c1ccc(cc1Br)Br 1458a_100000762965_100000210202 [0,2,0,0,0,0|2,0,0]=4 2789 B12R1.1703 CCC(=O)c1ccc(cc1Br)C 1458a_100000685072_100000210202 [0,2,0,0,0,0|2,0,0]=4 2790 B12R1.1703 CCC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100000210202 [0,2,0,0,0,0|2,0,0]=4 2791 B12R1.1703 CCC(=O)c1ccc(cc1Br)F 1458a_100000212304_100000210202 [0,2,0,0,0,0|2,0,0]=4 2792 B12R1.1703 CCC(=O)c1ccc(cc1Br)I 1458a_100012360512_100000210202 [0,2,0,0,0,0|2,0,0]=4 2793 B12R1.1703 CCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000210202 [0,2,0,0,0,0|2,0,0]=4 2794 B12R1.1703 CCC(=O)c1ccc(cc1C)Br 1458a_100000741311_100000210202 [0,2,0,0,0,0|2,0,0]=4 2795 B12R1.1703 CCC(=O)c1ccc(cc1C)C 1458a_100000211164_100000210202 [0,2,0,0,0,0|2,0,0]=4 2796 B12R1.1703 CCC(=O)c1ccc(cc1C)Cl 1458a_100000688705_100000210202 [0,2,0,0,0,0|2,0,0]=4 2797 B12R1.1703 CCC(=O)c1ccc(cc1C)F 1458a_100000686989_100000210202 [0,2,0,0,0,0|2,0,0]=4 2798 B12R1.1703 CCC(=O)c1ccc(cc1C)I 1458a_100010189873_100000210202 [0,2,0,0,0,0|2,0,0]=4 2799 B12R1.1703 CCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000210202 [0,2,0,0,0,0|2,0,0]=4 2800 B12R1.1703 CCC(=O)c1ccc(cc1C)O 271570a_203496583355_200012361375 [0,2,0,0,0,0|2,0,0]=4 2801 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_100000210202 [0,2,0,0,0,0|2,0,0]=4 2802 B12R1.1703 CCC(=O)c1ccc(cc1Cl)C 1458a_100000766932_100000210202 [0,2,0,0,0,0|2,0,0]=4 2803 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000210202 [0,2,0,0,0,0|2,0,0]=4 2804 B12R1.1703 CCC(=O)c1ccc(cc1Cl)F 1458a_100000211397_100000210202 [0,2,0,0,0,0|2,0,0]=4 2805 B12R1.1703 CCC(=O)c1ccc(cc1Cl)I 1458a_100000751301_100000210202 [0,2,0,0,0,0|2,0,0]=4 2806 B12R1.1703 CCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000210202 [0,2,0,0,0,0|2,0,0]=4 2807 B12R1.1703 CCC(=O)c1ccc(cc1F)Br 1458a_100000214689_100000210202 [0,2,0,0,0,0|2,0,0]=4 2808 B12R1.1703 CCC(=O)c1ccc(cc1F)C 1458a_100000766033_100000210202 [0,2,0,0,0,0|2,0,0]=4 2809 B12R1.1703 CCC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100000210202 [0,2,0,0,0,0|2,0,0]=4 2810 B12R1.1703 CCC(=O)c1ccc(cc1F)F 1458a_100000211022_100000210202 [0,2,0,0,0,0|2,0,0]=4 2811 B12R1.1703 CCC(=O)c1ccc(cc1F)I 1458a_100000037189_100000210202 [0,2,0,0,0,0|2,0,0]=4 2812 B12R1.1703 CCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000210202 [0,2,0,0,0,0|2,0,0]=4 2813 B12R1.1703 CCC(=O)c1ccc(cc1F)O 271570a_203496583355_100012360378 [0,2,0,0,0,0|2,0,0]=4 2814 B12R1.1703 CCC(=O)c1ccc(cc1I)Br 1458a_100000751167_100000210202 [0,2,0,0,0,0|2,0,0]=4 2815 B12R1.1703 CCC(=O)c1ccc(cc1I)C 1458a_100009999607_100000210202 [0,2,0,0,0,0|2,0,0]=4 2816 B12R1.1703 CCC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100000210202 [0,2,0,0,0,0|2,0,0]=4 2817 B12R1.1703 CCC(=O)c1ccc(cc1I)F 1458a_100000739341_100000210202 [0,2,0,0,0,0|2,0,0]=4 2818 B12R1.1703 CCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000210202 [0,2,0,0,0,0|2,0,0]=4 2819 B12R1.1703 CCC(=O)c1ccc(cc1O)C 1458a_100000212137_100000210202 [0,2,0,0,0,0|2,0,0]=4 2820 B12R1.1703 CCC(=O)c1ccc(cc1O)C 271570a_203496583355_200012349623 [0,2,0,0,0,0|2,0,0]=4 2821 B12R1.1703 CCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000210202 [0,2,0,0,0,0|2,0,0]=4 2822 B12R1.1703 CCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000210202 [0,2,0,0,0,0|2,0,0]=4 2823 B12R1.1703 CCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000210202 [0,2,0,0,0,0|2,0,0]=4 2824 B12R1.1703 CCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210202 [0,2,0,0,0,0|2,0,0]=4 2825 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 11a_106832991635_100000762965 [0,2,0,0,0,0|2,0,0]=4 2826 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 1626a_100102657272_100000762965 [0,2,0,0,0,0|2,0,0]=4 2827 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 240690a_100102657272_100000762965 [0,2,0,0,0,0|2,0,0]=4 2828 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 527a_100102657272_100000762965 [0,2,0,0,0,0|2,0,0]=4 2829 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 11a_106832991635_100000685072 [0,2,0,0,0,0|2,0,0]=4 2830 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 1626a_100102657272_100000685072 [0,2,0,0,0,0|2,0,0]=4 2831 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 240690a_100102657272_100000685072 [0,2,0,0,0,0|2,0,0]=4 2832 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 527a_100102657272_100000685072 [0,2,0,0,0,0|2,0,0]=4 2833 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 11a_106832991635_100000766353 [0,2,0,0,0,0|2,0,0]=4 2834 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 1626a_100102657272_100000766353 [0,2,0,0,0,0|2,0,0]=4 2835 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 240690a_100102657272_100000766353 [0,2,0,0,0,0|2,0,0]=4 2836 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 527a_100102657272_100000766353 [0,2,0,0,0,0|2,0,0]=4 2837 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 11a_106832991635_100000212304 [0,2,0,0,0,0|2,0,0]=4 2838 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 1626a_100102657272_100000212304 [0,2,0,0,0,0|2,0,0]=4 2839 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 240690a_100102657272_100000212304 [0,2,0,0,0,0|2,0,0]=4 2840 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 527a_100102657272_100000212304 [0,2,0,0,0,0|2,0,0]=4 2841 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 11a_106832991635_100012360512 [0,2,0,0,0,0|2,0,0]=4 2842 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 1626a_100102657272_100012360512 [0,2,0,0,0,0|2,0,0]=4 2843 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 240690a_100102657272_100012360512 [0,2,0,0,0,0|2,0,0]=4 2844 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 527a_100102657272_100012360512 [0,2,0,0,0,0|2,0,0]=4 2845 B12R1.1703 CNC(=O)c1ccc(cc1Br)O 240690a_100102657272_100012344906 [0,2,0,0,0,0|2,0,0]=4 2846 B12R1.1703 CNC(=O)c1ccc(cc1Br)O 527a_100102657272_100012344906 [0,2,0,0,0,0|2,0,0]=4 2847 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 11a_106832991635_100000741311 [0,2,0,0,0,0|2,0,0]=4 2848 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 1626a_100102657272_100000741311 [0,2,0,0,0,0|2,0,0]=4 2849 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 240690a_100102657272_100000741311 [0,2,0,0,0,0|2,0,0]=4 2850 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 527a_100102657272_100000741311 [0,2,0,0,0,0|2,0,0]=4 2851 B12R1.1703 CNC(=O)c1ccc(cc1C)C 11a_106832991635_100000211164 [0,2,0,0,0,0|2,0,0]=4 2852 B12R1.1703 CNC(=O)c1ccc(cc1C)C 1626a_100102657272_100000211164 [0,2,0,0,0,0|2,0,0]=4 2853 B12R1.1703 CNC(=O)c1ccc(cc1C)C 240690a_100102657272_100000211164 [0,2,0,0,0,0|2,0,0]=4 2854 B12R1.1703 CNC(=O)c1ccc(cc1C)C 527a_100102657272_100000211164 [0,2,0,0,0,0|2,0,0]=4 2855 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 11a_106832991635_100000688705 [0,2,0,0,0,0|2,0,0]=4 2856 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 1626a_100102657272_100000688705 [0,2,0,0,0,0|2,0,0]=4 2857 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 240690a_100102657272_100000688705 [0,2,0,0,0,0|2,0,0]=4 2858 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 527a_100102657272_100000688705 [0,2,0,0,0,0|2,0,0]=4 2859 B12R1.1703 CNC(=O)c1ccc(cc1C)F 11a_106832991635_100000686989 [0,2,0,0,0,0|2,0,0]=4 2860 B12R1.1703 CNC(=O)c1ccc(cc1C)F 1626a_100102657272_100000686989 [0,2,0,0,0,0|2,0,0]=4 2861 B12R1.1703 CNC(=O)c1ccc(cc1C)F 240690a_100102657272_100000686989 [0,2,0,0,0,0|2,0,0]=4 2862 B12R1.1703 CNC(=O)c1ccc(cc1C)F 527a_100102657272_100000686989 [0,2,0,0,0,0|2,0,0]=4 2863 B12R1.1703 CNC(=O)c1ccc(cc1C)I 11a_106832991635_100010189873 [0,2,0,0,0,0|2,0,0]=4 2864 B12R1.1703 CNC(=O)c1ccc(cc1C)I 1626a_100102657272_100010189873 [0,2,0,0,0,0|2,0,0]=4 2865 B12R1.1703 CNC(=O)c1ccc(cc1C)I 240690a_100102657272_100010189873 [0,2,0,0,0,0|2,0,0]=4 2866 B12R1.1703 CNC(=O)c1ccc(cc1C)I 527a_100102657272_100010189873 [0,2,0,0,0,0|2,0,0]=4 2867 B12R1.1703 CNC(=O)c1ccc(cc1C)O 240690a_100102657272_100000692822 [0,2,0,0,0,0|2,0,0]=4 2868 B12R1.1703 CNC(=O)c1ccc(cc1C)O 527a_100102657272_100000692822 [0,2,0,0,0,0|2,0,0]=4 2869 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 11a_106832991635_100000741628 [0,2,0,0,0,0|2,0,0]=4 2870 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 1626a_100102657272_100000741628 [0,2,0,0,0,0|2,0,0]=4 2871 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 240690a_100102657272_100000741628 [0,2,0,0,0,0|2,0,0]=4 2872 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 527a_100102657272_100000741628 [0,2,0,0,0,0|2,0,0]=4 2873 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 11a_106832991635_100000766932 [0,2,0,0,0,0|2,0,0]=4 2874 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 1626a_100102657272_100000766932 [0,2,0,0,0,0|2,0,0]=4 2875 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 240690a_100102657272_100000766932 [0,2,0,0,0,0|2,0,0]=4 2876 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 527a_100102657272_100000766932 [0,2,0,0,0,0|2,0,0]=4 2877 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 11a_106832991635_100000185840 [0,2,0,0,0,0|2,0,0]=4 2878 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 1626a_100102657272_100000185840 [0,2,0,0,0,0|2,0,0]=4 2879 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 240690a_100102657272_100000185840 [0,2,0,0,0,0|2,0,0]=4 2880 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 527a_100102657272_100000185840 [0,2,0,0,0,0|2,0,0]=4 2881 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 11a_106832991635_100000211397 [0,2,0,0,0,0|2,0,0]=4 2882 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 1626a_100102657272_100000211397 [0,2,0,0,0,0|2,0,0]=4 2883 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 240690a_100102657272_100000211397 [0,2,0,0,0,0|2,0,0]=4 2884 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 527a_100102657272_100000211397 [0,2,0,0,0,0|2,0,0]=4 2885 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 11a_106832991635_100000751301 [0,2,0,0,0,0|2,0,0]=4 2886 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 1626a_100102657272_100000751301 [0,2,0,0,0,0|2,0,0]=4 2887 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 240690a_100102657272_100000751301 [0,2,0,0,0,0|2,0,0]=4 2888 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 527a_100102657272_100000751301 [0,2,0,0,0,0|2,0,0]=4 2889 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O 240690a_100102657272_100000702456 [0,2,0,0,0,0|2,0,0]=4 2890 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O 527a_100102657272_100000702456 [0,2,0,0,0,0|2,0,0]=4 2891 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 11a_106832991635_100000214689 [0,2,0,0,0,0|2,0,0]=4 2892 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 1626a_100102657272_100000214689 [0,2,0,0,0,0|2,0,0]=4 2893 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 240690a_100102657272_100000214689 [0,2,0,0,0,0|2,0,0]=4 2894 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 527a_100102657272_100000214689 [0,2,0,0,0,0|2,0,0]=4 2895 B12R1.1703 CNC(=O)c1ccc(cc1F)C 11a_106832991635_100000766033 [0,2,0,0,0,0|2,0,0]=4 2896 B12R1.1703 CNC(=O)c1ccc(cc1F)C 1626a_100102657272_100000766033 [0,2,0,0,0,0|2,0,0]=4 2897 B12R1.1703 CNC(=O)c1ccc(cc1F)C 240690a_100102657272_100000766033 [0,2,0,0,0,0|2,0,0]=4 2898 B12R1.1703 CNC(=O)c1ccc(cc1F)C 527a_100102657272_100000766033 [0,2,0,0,0,0|2,0,0]=4 2899 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 11a_106832991635_100000212326 [0,2,0,0,0,0|2,0,0]=4 2900 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 1626a_100102657272_100000212326 [0,2,0,0,0,0|2,0,0]=4 2901 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 240690a_100102657272_100000212326 [0,2,0,0,0,0|2,0,0]=4 2902 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 527a_100102657272_100000212326 [0,2,0,0,0,0|2,0,0]=4 2903 B12R1.1703 CNC(=O)c1ccc(cc1F)F 11a_106832991635_100000211022 [0,2,0,0,0,0|2,0,0]=4 2904 B12R1.1703 CNC(=O)c1ccc(cc1F)F 1626a_100102657272_100000211022 [0,2,0,0,0,0|2,0,0]=4 2905 B12R1.1703 CNC(=O)c1ccc(cc1F)F 240690a_100102657272_100000211022 [0,2,0,0,0,0|2,0,0]=4 2906 B12R1.1703 CNC(=O)c1ccc(cc1F)F 527a_100102657272_100000211022 [0,2,0,0,0,0|2,0,0]=4 2907 B12R1.1703 CNC(=O)c1ccc(cc1F)I 11a_106832991635_100000037189 [0,2,0,0,0,0|2,0,0]=4 2908 B12R1.1703 CNC(=O)c1ccc(cc1F)I 1626a_100102657272_100000037189 [0,2,0,0,0,0|2,0,0]=4 2909 B12R1.1703 CNC(=O)c1ccc(cc1F)I 240690a_100102657272_100000037189 [0,2,0,0,0,0|2,0,0]=4 2910 B12R1.1703 CNC(=O)c1ccc(cc1F)I 527a_100102657272_100000037189 [0,2,0,0,0,0|2,0,0]=4 2911 B12R1.1703 CNC(=O)c1ccc(cc1F)O 240690a_100102657272_100000689029 [0,2,0,0,0,0|2,0,0]=4 2912 B12R1.1703 CNC(=O)c1ccc(cc1F)O 271570a_203496583355_100000233932 [0,2,0,0,0,0|2,0,0]=4 2913 B12R1.1703 CNC(=O)c1ccc(cc1F)O 527a_100102657272_100000689029 [0,2,0,0,0,0|2,0,0]=4 2914 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 11a_106832991635_100000751167 [0,2,0,0,0,0|2,0,0]=4 2915 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 1626a_100102657272_100000751167 [0,2,0,0,0,0|2,0,0]=4 2916 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 240690a_100102657272_100000751167 [0,2,0,0,0,0|2,0,0]=4 2917 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 527a_100102657272_100000751167 [0,2,0,0,0,0|2,0,0]=4 2918 B12R1.1703 CNC(=O)c1ccc(cc1I)C 11a_106832991635_100009999607 [0,2,0,0,0,0|2,0,0]=4 2919 B12R1.1703 CNC(=O)c1ccc(cc1I)C 1626a_100102657272_100009999607 [0,2,0,0,0,0|2,0,0]=4 2920 B12R1.1703 CNC(=O)c1ccc(cc1I)C 240690a_100102657272_100009999607 [0,2,0,0,0,0|2,0,0]=4 2921 B12R1.1703 CNC(=O)c1ccc(cc1I)C 527a_100102657272_100009999607 [0,2,0,0,0,0|2,0,0]=4 2922 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 11a_106832991635_100000739380 [0,2,0,0,0,0|2,0,0]=4 2923 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 1626a_100102657272_100000739380 [0,2,0,0,0,0|2,0,0]=4 2924 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 240690a_100102657272_100000739380 [0,2,0,0,0,0|2,0,0]=4 2925 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 527a_100102657272_100000739380 [0,2,0,0,0,0|2,0,0]=4 2926 B12R1.1703 CNC(=O)c1ccc(cc1I)F 11a_106832991635_100000739341 [0,2,0,0,0,0|2,0,0]=4 2927 B12R1.1703 CNC(=O)c1ccc(cc1I)F 1626a_100102657272_100000739341 [0,2,0,0,0,0|2,0,0]=4 2928 B12R1.1703 CNC(=O)c1ccc(cc1I)F 240690a_100102657272_100000739341 [0,2,0,0,0,0|2,0,0]=4 2929 B12R1.1703 CNC(=O)c1ccc(cc1I)F 527a_100102657272_100000739341 [0,2,0,0,0,0|2,0,0]=4 2930 B12R1.1703 CNC(=O)c1ccc(cc1O)Br 240690a_100102657272_100000744433 [0,2,0,0,0,0|2,0,0]=4 2931 B12R1.1703 CNC(=O)c1ccc(cc1O)Br 527a_100102657272_100000744433 [0,2,0,0,0,0|2,0,0]=4 2932 B12R1.1703 CNC(=O)c1ccc(cc1O)C 1626a_100102657272_100000212137 [0,2,0,0,0,0|2,0,0]=4 2933 B12R1.1703 CNC(=O)c1ccc(cc1O)C 240690a_100102657272_100000212137 [0,2,0,0,0,0|2,0,0]=4 2934 B12R1.1703 CNC(=O)c1ccc(cc1O)C 527a_100102657272_100000212137 [0,2,0,0,0,0|2,0,0]=4 2935 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 11a_106832991635_100000188622 [0,2,0,0,0,0|2,0,0]=4 2936 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 240690a_100102657272_100000188622 [0,2,0,0,0,0|2,0,0]=4 2937 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 527a_100102657272_100000188622 [0,2,0,0,0,0|2,0,0]=4 2938 B12R1.1703 CNC(=O)c1ccc(cc1O)F 240690a_100102657272_100000746061 [0,2,0,0,0,0|2,0,0]=4 2939 B12R1.1703 CNC(=O)c1ccc(cc1O)F 271570a_203496583355_200000206206 [0,2,0,0,0,0|2,0,0]=4 2940 B12R1.1703 CNC(=O)c1ccc(cc1O)F 527a_100102657272_100000746061 [0,2,0,0,0,0|2,0,0]=4 2941 B12R1.1703 CNC(=O)c1ccc(cc1O)I 240690a_100102657272_100000091984 [0,2,0,0,0,0|2,0,0]=4 2942 B12R1.1703 CNC(=O)c1ccc(cc1O)I 527a_100102657272_100000091984 [0,2,0,0,0,0|2,0,0]=4 2943 B12R1.1703 COC(=O)c1ccc(c[n+]1[O-])O 271570a_203496583355_100015641791 [0,2,0,0,0,0|2,0,0]=4 2944 B12R1.1703 COC(=O)c1ccc(cc1Br)O 271570a_203496583355_100010247156 [0,2,0,0,0,0|1,0,0]=3 2945 B12R1.1703 COC(=O)c1ccc(cc1C)O 271570a_203496583355_100000747612 [0,2,0,0,0,0|1,0,0]=3 2946 B12R1.1703 COC(=O)c1ccc(cc1Cl)O 271570a_203496583355_100000060724 [0,2,0,0,0,0|1,0,0]=3 2947 B12R1.1703 COC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216654 [0,2,0,0,0,0|1,0,0]=3 2948 B12R1.1703 COC(=O)c1ccc(cc1N)O 271570a_203496583355_100011373473 [0,2,0,0,0,0|1,0,0]=3 2949 B12R1.1703 COC(=O)c1ccc(cc1O)Br 271570a_203496583355_100000701758 [0,2,0,0,0,0|1,0,0]=3 2950 B12R1.1703 COC(=O)c1ccc(cc1O)C 271570a_203496583355_100012340597 [0,2,0,0,0,0|1,0,0]=3 2951 B12R1.1703 COC(=O)c1ccc(cc1O)Cl 271570a_203496583355_100000047510 [0,2,0,0,0,0|1,0,0]=3 2952 B12R1.1703 COC(=O)c1ccc(cc1O)F 271570a_203496583355_100000204356 [0,2,0,0,0,0|1,0,0]=3 2953 B12R1.1703 COC(=O)c1ccc(cc1O)N 271570a_203496583355_100009998378 [0,2,0,0,0,0|1,0,0]=3 2954 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100000062286 [0,2,0,0,0,0|1,0,0]=3 2955 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100010150825 [0,2,0,0,0,0|1,0,0]=3 2956 B12R1.1703 COC(=O)c1ccc(nc1C)O 271570a_203496583355_100000692007 [0,2,0,0,0,0|0,0,0]=2 2957 B12R1.1703 COC(=O)c1ccc(nc1F)O 271570a_203496583355_100010189635 [0,2,0,0,0,0|0,0,0]=2 2958 B12R1.1703 COC(=O)c1ccc(nc1N)O 271570a_203496583355_100000142702 [0,2,0,0,0,0|0,0,0]=2 2959 B12R1.1703 COC(=O)c1ccc(nc1O)C 271570a_203496583355_100000054099 [0,2,0,0,0,0|0,0,0]=2 2960 B12R1.1703 COC(=O)c1ccc(nc1O)N 271570a_203496583355_100009865240 [0,2,0,0,0,0|0,0,0]=2 2961 B12R1.1703 COC(=O)c1ccc(nc1O)O 271570a_203496583355_100015962272 [0,2,0,0,0,0|0,0,0]=2 2962 B12R1.1703 COC(=O)c1ccc(nc1O)O 271570a_203496583355_100016008356 [0,2,0,0,0,0|0,0,0]=2 2963 B12R1.1703 COC(=O)c1cnc(cc1C)O 271570a_203496583355_100009871181 [0,2,0,0,0,0|0,0,0]=2 2964 B12R1.1703 COC(=O)c1cnc(cc1N)O 271570a_203496583355_100009862510 [0,2,0,0,0,0|0,0,0]=2 2965 B12R1.1703 COC(=O)c1cnc(cc1O)C 271570a_203496583355_100011998247 [0,2,0,0,0,0|0,0,0]=2 2966 B12R1.1703 COC(=O)c1cnc(nc1N)O 271570a_203496583355_200009866963 [0,2,0,0,0,0|1,0,0]=3 2967 B12R1.1703 COC(=O)c1cnc(nc1O)N 271570a_203496583355_100010277515 [0,2,0,0,0,0|1,0,0]=3 2968 B12R1.1703 COC(=O)c1n[nH]c(=O)cc1O 271570a_203496583355_200021564684 [0,2,0,0,0,0|1,0,1]=4 2969 B12R1.1703 COC(=O)c1ncc(cc1C)O 271570a_203496583355_100010178714 [0,2,0,0,0,0|2,0,0]=4 2970 B12R1.1703 COC(=O)c1ncc(cc1F)O 271570a_203496583355_100000695675 [0,2,0,0,0,0|2,0,0]=4 2971 B12R1.1703 COC(=O)c1ncc(cc1N)O 271570a_203496583355_100010090751 [0,2,0,0,0,0|2,0,0]=4 2972 B12R1.1703 COC(=O)c1ncc(cc1O)C 271570a_203496583355_100010167497 [0,2,0,0,0,0|2,0,0]=4 2973 B12R1.1703 COC(=O)c1ncc(cc1O)F 271570a_203496583355_100010189631 [0,2,0,0,0,0|2,0,0]=4 2974 B12R1.1703 COC(=O)c1ncc(cc1O)O 271570a_203496583355_100010071521 [0,2,0,0,0,0|2,0,0]=4 2975 B12R1.1703 COC(=O)c1ncc(nc1O)C 271570a_203496583355_100000099855 [0,2,0,0,0,0|1,0,0]=3 2976 B12R1.1703 COC(C)c1ccc(nc1Cl)Cl 34a_100010751269_200000210301 [0,2,0,0,0,0|1,0,1]=4 2977 B12R1.1703 COC(C)c1ccc(nc1Cl)Cl 7a_100010751269_200000210301 [0,2,0,0,0,0|1,0,1]=4 2978 B12R1.24 CCC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000210202 [0,2,0,0,0,0|2,0,0]=4 2979 B12R1.24 CCC(=O)c1cccc(c1Br)C 1458a_100000692419_100000210202 [0,2,0,0,0,0|2,0,0]=4 2980 B12R1.24 CCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000210202 [0,2,0,0,0,0|2,0,0]=4 2981 B12R1.24 CCC(=O)c1cccc(c1Br)F 1458a_100011217547_100000210202 [0,2,0,0,0,0|2,0,0]=4 2982 B12R1.24 CCC(=O)c1cccc(c1Br)I 1458a_100010232522_100000210202 [0,2,0,0,0,0|2,0,0]=4 2983 B12R1.24 CCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000210202 [0,2,0,0,0,0|2,0,0]=4 2984 B12R1.24 CCC(=O)c1cccc(c1C)Br 1458a_100000760464_100000210202 [0,2,0,0,0,0|2,0,0]=4 2985 B12R1.24 CCC(=O)c1cccc(c1C)C 1458a_100000183679_100000210202 [0,2,0,0,0,0|2,0,0]=4 2986 B12R1.24 CCC(=O)c1cccc(c1C)Cl 1458a_100000690184_100000210202 [0,2,0,0,0,0|2,0,0]=4 2987 B12R1.24 CCC(=O)c1cccc(c1C)F 1458a_100011218272_100000210202 [0,2,0,0,0,0|2,0,0]=4 2988 B12R1.24 CCC(=O)c1cccc(c1C)I 1458a_100000751865_100000210202 [0,2,0,0,0,0|2,0,0]=4 2989 B12R1.24 CCC(=O)c1cccc(c1C)O 1458a_100000766327_100000210202 [0,2,0,0,0,0|2,0,0]=4 2990 B12R1.24 CCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000210202 [0,2,0,0,0,0|2,0,0]=4 2991 B12R1.24 CCC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000210202 [0,2,0,0,0,0|2,0,0]=4 2992 B12R1.24 CCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000210202 [0,2,0,0,0,0|2,0,0]=4 2993 B12R1.24 CCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000210202 [0,2,0,0,0,0|2,0,0]=4 2994 B12R1.24 CCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000210202 [0,2,0,0,0,0|2,0,0]=4 2995 B12R1.24 CCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000210202 [0,2,0,0,0,0|2,0,0]=4 2996 B12R1.24 CCC(=O)c1cccc(c1F)Br 1458a_100000756403_100000210202 [0,2,0,0,0,0|2,0,0]=4 2997 B12R1.24 CCC(=O)c1cccc(c1F)C 1458a_100000766181_100000210202 [0,2,0,0,0,0|2,0,0]=4 2998 B12R1.24 CCC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000210202 [0,2,0,0,0,0|2,0,0]=4 2999 B12R1.24 CCC(=O)c1cccc(c1F)F 1458a_100000748134_100000210202 [0,2,0,0,0,0|2,0,0]=4 3000 B12R1.24 CCC(=O)c1cccc(c1F)I 1458a_100010185205_100000210202 [0,2,0,0,0,0|2,0,0]=4 3001 B12R1.24 CCC(=O)c1cccc(c1F)O 1458a_100000037433_100000210202 [0,2,0,0,0,0|2,0,0]=4 3002 B12R1.24 CCC(=O)c1cccc(c1I)Br 1458a_100000688019_100000210202 [0,2,0,0,0,0|2,0,0]=4 3003 B12R1.24 CCC(=O)c1cccc(c1I)C 1458a_100000739377_100000210202 [0,2,0,0,0,0|2,0,0]=4 3004 B12R1.24 CCC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000210202 [0,2,0,0,0,0|2,0,0]=4 3005 B12R1.24 CCC(=O)c1cccc(c1I)F 1458a_100000690930_100000210202 [0,2,0,0,0,0|2,0,0]=4 3006 B12R1.24 CCC(=O)c1cccc(c1I)O 1458a_100010084636_100000210202 [0,2,0,0,0,0|2,0,0]=4 3007 B12R1.24 CCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000210202 [0,2,0,0,0,0|2,0,0]=4 3008 B12R1.24 CCC(=O)c1cccc(c1O)C 1458a_100000183896_100000210202 [0,2,0,0,0,0|2,0,0]=4 3009 B12R1.24 CCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000210202 [0,2,0,0,0,0|2,0,0]=4 3010 B12R1.24 CCC(=O)c1cccc(c1O)F 1458a_100011217230_100000210202 [0,2,0,0,0,0|2,0,0]=4 3011 B12R1.24 CCC(=O)c1cccc(c1O)O 1458a_100000690420_100000210202 [0,2,0,0,0,0|2,0,0]=4 3012 B12R1.24 CNC(=O)c1cccc(c1Br)Br 11a_106832991635_100012360534 [0,2,0,0,0,0|2,0,0]=4 3013 B12R1.24 CNC(=O)c1cccc(c1Br)Br 1626a_100102657272_100012360534 [0,2,0,0,0,0|2,0,0]=4 3014 B12R1.24 CNC(=O)c1cccc(c1Br)Br 240690a_100102657272_100012360534 [0,2,0,0,0,0|2,0,0]=4 3015 B12R1.24 CNC(=O)c1cccc(c1Br)Br 527a_100102657272_100012360534 [0,2,0,0,0,0|2,0,0]=4 3016 B12R1.24 CNC(=O)c1cccc(c1Br)C 11a_106832991635_100000692419 [0,2,0,0,0,0|2,0,0]=4 3017 B12R1.24 CNC(=O)c1cccc(c1Br)C 1626a_100102657272_100000692419 [0,2,0,0,0,0|2,0,0]=4 3018 B12R1.24 CNC(=O)c1cccc(c1Br)C 240690a_100102657272_100000692419 [0,2,0,0,0,0|2,0,0]=4 3019 B12R1.24 CNC(=O)c1cccc(c1Br)C 527a_100102657272_100000692419 [0,2,0,0,0,0|2,0,0]=4 3020 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 11a_106832991635_100012339722 [0,2,0,0,0,0|2,0,0]=4 3021 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 1626a_100102657272_100012339722 [0,2,0,0,0,0|2,0,0]=4 3022 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 240690a_100102657272_100012339722 [0,2,0,0,0,0|2,0,0]=4 3023 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 527a_100102657272_100012339722 [0,2,0,0,0,0|2,0,0]=4 3024 B12R1.24 CNC(=O)c1cccc(c1Br)F 11a_106832991635_100011217547 [0,2,0,0,0,0|2,0,0]=4 3025 B12R1.24 CNC(=O)c1cccc(c1Br)F 1626a_100102657272_100011217547 [0,2,0,0,0,0|2,0,0]=4 3026 B12R1.24 CNC(=O)c1cccc(c1Br)F 240690a_100102657272_100011217547 [0,2,0,0,0,0|2,0,0]=4 3027 B12R1.24 CNC(=O)c1cccc(c1Br)F 527a_100102657272_100011217547 [0,2,0,0,0,0|2,0,0]=4 3028 B12R1.24 CNC(=O)c1cccc(c1Br)I 11a_106832991635_100010232522 [0,2,0,0,0,0|2,0,0]=4 3029 B12R1.24 CNC(=O)c1cccc(c1Br)I 1626a_100102657272_100010232522 [0,2,0,0,0,0|2,0,0]=4 3030 B12R1.24 CNC(=O)c1cccc(c1Br)I 240690a_100102657272_100010232522 [0,2,0,0,0,0|2,0,0]=4 3031 B12R1.24 CNC(=O)c1cccc(c1Br)I 527a_100102657272_100010232522 [0,2,0,0,0,0|2,0,0]=4 3032 B12R1.24 CNC(=O)c1cccc(c1Br)O 240690a_100102657272_100010230362 [0,2,0,0,0,0|2,0,0]=4 3033 B12R1.24 CNC(=O)c1cccc(c1Br)O 527a_100102657272_100010230362 [0,2,0,0,0,0|2,0,0]=4 3034 B12R1.24 CNC(=O)c1cccc(c1C)Br 11a_106832991635_100000760464 [0,2,0,0,0,0|2,0,0]=4 3035 B12R1.24 CNC(=O)c1cccc(c1C)Br 1626a_100102657272_100000760464 [0,2,0,0,0,0|2,0,0]=4 3036 B12R1.24 CNC(=O)c1cccc(c1C)Br 240690a_100102657272_100000760464 [0,2,0,0,0,0|2,0,0]=4 3037 B12R1.24 CNC(=O)c1cccc(c1C)Br 527a_100102657272_100000760464 [0,2,0,0,0,0|2,0,0]=4 3038 B12R1.24 CNC(=O)c1cccc(c1C)C 11a_106832991635_100000183679 [0,2,0,0,0,0|2,0,0]=4 3039 B12R1.24 CNC(=O)c1cccc(c1C)C 1626a_100102657272_100000183679 [0,2,0,0,0,0|2,0,0]=4 3040 B12R1.24 CNC(=O)c1cccc(c1C)C 240690a_100102657272_100000183679 [0,2,0,0,0,0|2,0,0]=4 3041 B12R1.24 CNC(=O)c1cccc(c1C)C 527a_100102657272_100000183679 [0,2,0,0,0,0|2,0,0]=4 3042 B12R1.24 CNC(=O)c1cccc(c1C)Cl 11a_106832991635_100000690184 [0,2,0,0,0,0|2,0,0]=4 3043 B12R1.24 CNC(=O)c1cccc(c1C)Cl 1626a_100102657272_100000690184 [0,2,0,0,0,0|2,0,0]=4 3044 B12R1.24 CNC(=O)c1cccc(c1C)Cl 240690a_100102657272_100000690184 [0,2,0,0,0,0|2,0,0]=4 3045 B12R1.24 CNC(=O)c1cccc(c1C)Cl 527a_100102657272_100000690184 [0,2,0,0,0,0|2,0,0]=4 3046 B12R1.24 CNC(=O)c1cccc(c1C)F 11a_106832991635_100011218272 [0,2,0,0,0,0|2,0,0]=4 3047 B12R1.24 CNC(=O)c1cccc(c1C)F 1626a_100102657272_100011218272 [0,2,0,0,0,0|2,0,0]=4 3048 B12R1.24 CNC(=O)c1cccc(c1C)F 240690a_100102657272_100011218272 [0,2,0,0,0,0|2,0,0]=4 3049 B12R1.24 CNC(=O)c1cccc(c1C)F 527a_100102657272_100011218272 [0,2,0,0,0,0|2,0,0]=4 3050 B12R1.24 CNC(=O)c1cccc(c1C)I 11a_106832991635_100000751865 [0,2,0,0,0,0|2,0,0]=4 3051 B12R1.24 CNC(=O)c1cccc(c1C)I 1626a_100102657272_100000751865 [0,2,0,0,0,0|2,0,0]=4 3052 B12R1.24 CNC(=O)c1cccc(c1C)I 240690a_100102657272_100000751865 [0,2,0,0,0,0|2,0,0]=4 3053 B12R1.24 CNC(=O)c1cccc(c1C)I 527a_100102657272_100000751865 [0,2,0,0,0,0|2,0,0]=4 3054 B12R1.24 CNC(=O)c1cccc(c1C)O 240690a_100102657272_100000766327 [0,2,0,0,0,0|2,0,0]=4 3055 B12R1.24 CNC(=O)c1cccc(c1C)O 527a_100102657272_100000766327 [0,2,0,0,0,0|2,0,0]=4 3056 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 11a_106832991635_100000760540 [0,2,0,0,0,0|2,0,0]=4 3057 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 1626a_100102657272_100000760540 [0,2,0,0,0,0|2,0,0]=4 3058 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 240690a_100102657272_100000760540 [0,2,0,0,0,0|2,0,0]=4 3059 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 527a_100102657272_100000760540 [0,2,0,0,0,0|2,0,0]=4 3060 B12R1.24 CNC(=O)c1cccc(c1Cl)C 11a_106832991635_100000693142 [0,2,0,0,0,0|2,0,0]=4 3061 B12R1.24 CNC(=O)c1cccc(c1Cl)C 1626a_100102657272_100000693142 [0,2,0,0,0,0|2,0,0]=4 3062 B12R1.24 CNC(=O)c1cccc(c1Cl)C 240690a_100102657272_100000693142 [0,2,0,0,0,0|2,0,0]=4 3063 B12R1.24 CNC(=O)c1cccc(c1Cl)C 527a_100102657272_100000693142 [0,2,0,0,0,0|2,0,0]=4 3064 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 11a_106832991635_100000183631 [0,2,0,0,0,0|2,0,0]=4 3065 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 1626a_100102657272_100000183631 [0,2,0,0,0,0|2,0,0]=4 3066 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 240690a_100102657272_100000183631 [0,2,0,0,0,0|2,0,0]=4 3067 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 527a_100102657272_100000183631 [0,2,0,0,0,0|2,0,0]=4 3068 B12R1.24 CNC(=O)c1cccc(c1Cl)F 11a_106832991635_100000759904 [0,2,0,0,0,0|2,0,0]=4 3069 B12R1.24 CNC(=O)c1cccc(c1Cl)F 1626a_100102657272_100000759904 [0,2,0,0,0,0|2,0,0]=4 3070 B12R1.24 CNC(=O)c1cccc(c1Cl)F 240690a_100102657272_100000759904 [0,2,0,0,0,0|2,0,0]=4 3071 B12R1.24 CNC(=O)c1cccc(c1Cl)F 527a_100102657272_100000759904 [0,2,0,0,0,0|2,0,0]=4 3072 B12R1.24 CNC(=O)c1cccc(c1Cl)I 11a_106832991635_100010176783 [0,2,0,0,0,0|2,0,0]=4 3073 B12R1.24 CNC(=O)c1cccc(c1Cl)I 1626a_100102657272_100010176783 [0,2,0,0,0,0|2,0,0]=4 3074 B12R1.24 CNC(=O)c1cccc(c1Cl)I 240690a_100102657272_100010176783 [0,2,0,0,0,0|2,0,0]=4 3075 B12R1.24 CNC(=O)c1cccc(c1Cl)I 527a_100102657272_100010176783 [0,2,0,0,0,0|2,0,0]=4 3076 B12R1.24 CNC(=O)c1cccc(c1Cl)O 240690a_100102657272_100000092362 [0,2,0,0,0,0|2,0,0]=4 3077 B12R1.24 CNC(=O)c1cccc(c1Cl)O 527a_100102657272_100000092362 [0,2,0,0,0,0|2,0,0]=4 3078 B12R1.24 CNC(=O)c1cccc(c1F)Br 11a_106832991635_100000756403 [0,2,0,0,0,0|2,0,0]=4 3079 B12R1.24 CNC(=O)c1cccc(c1F)Br 1626a_100102657272_100000756403 [0,2,0,0,0,0|2,0,0]=4 3080 B12R1.24 CNC(=O)c1cccc(c1F)Br 240690a_100102657272_100000756403 [0,2,0,0,0,0|2,0,0]=4 3081 B12R1.24 CNC(=O)c1cccc(c1F)Br 527a_100102657272_100000756403 [0,2,0,0,0,0|2,0,0]=4 3082 B12R1.24 CNC(=O)c1cccc(c1F)C 11a_106832991635_100000766181 [0,2,0,0,0,0|2,0,0]=4 3083 B12R1.24 CNC(=O)c1cccc(c1F)C 1626a_100102657272_100000766181 [0,2,0,0,0,0|2,0,0]=4 3084 B12R1.24 CNC(=O)c1cccc(c1F)C 240690a_100102657272_100000766181 [0,2,0,0,0,0|2,0,0]=4 3085 B12R1.24 CNC(=O)c1cccc(c1F)C 527a_100102657272_100000766181 [0,2,0,0,0,0|2,0,0]=4 3086 B12R1.24 CNC(=O)c1cccc(c1F)Cl 11a_106832991635_100000688816 [0,2,0,0,0,0|2,0,0]=4 3087 B12R1.24 CNC(=O)c1cccc(c1F)Cl 1626a_100102657272_100000688816 [0,2,0,0,0,0|2,0,0]=4 3088 B12R1.24 CNC(=O)c1cccc(c1F)Cl 240690a_100102657272_100000688816 [0,2,0,0,0,0|2,0,0]=4 3089 B12R1.24 CNC(=O)c1cccc(c1F)Cl 527a_100102657272_100000688816 [0,2,0,0,0,0|2,0,0]=4 3090 B12R1.24 CNC(=O)c1cccc(c1F)F 11a_106832991635_100000748134 [0,2,0,0,0,0|2,0,0]=4 3091 B12R1.24 CNC(=O)c1cccc(c1F)F 1626a_100102657272_100000748134 [0,2,0,0,0,0|2,0,0]=4 3092 B12R1.24 CNC(=O)c1cccc(c1F)F 240690a_100102657272_100000748134 [0,2,0,0,0,0|2,0,0]=4 3093 B12R1.24 CNC(=O)c1cccc(c1F)F 527a_100102657272_100000748134 [0,2,0,0,0,0|2,0,0]=4 3094 B12R1.24 CNC(=O)c1cccc(c1F)I 11a_106832991635_100010185205 [0,2,0,0,0,0|2,0,0]=4 3095 B12R1.24 CNC(=O)c1cccc(c1F)I 1626a_100102657272_100010185205 [0,2,0,0,0,0|2,0,0]=4 3096 B12R1.24 CNC(=O)c1cccc(c1F)I 240690a_100102657272_100010185205 [0,2,0,0,0,0|2,0,0]=4 3097 B12R1.24 CNC(=O)c1cccc(c1F)I 527a_100102657272_100010185205 [0,2,0,0,0,0|2,0,0]=4 3098 B12R1.24 CNC(=O)c1cccc(c1F)O 240690a_100102657272_100000037433 [0,2,0,0,0,0|2,0,0]=4 3099 B12R1.24 CNC(=O)c1cccc(c1F)O 527a_100102657272_100000037433 [0,2,0,0,0,0|2,0,0]=4 3100 B12R1.24 CNC(=O)c1cccc(c1I)Br 11a_106832991635_100000688019 [0,2,0,0,0,0|2,0,0]=4 3101 B12R1.24 CNC(=O)c1cccc(c1I)Br 1626a_100102657272_100000688019 [0,2,0,0,0,0|2,0,0]=4 3102 B12R1.24 CNC(=O)c1cccc(c1I)Br 240690a_100102657272_100000688019 [0,2,0,0,0,0|2,0,0]=4 3103 B12R1.24 CNC(=O)c1cccc(c1I)Br 527a_100102657272_100000688019 [0,2,0,0,0,0|2,0,0]=4 3104 B12R1.24 CNC(=O)c1cccc(c1I)C 11a_106832991635_100000739377 [0,2,0,0,0,0|2,0,0]=4 3105 B12R1.24 CNC(=O)c1cccc(c1I)C 1626a_100102657272_100000739377 [0,2,0,0,0,0|2,0,0]=4 3106 B12R1.24 CNC(=O)c1cccc(c1I)C 240690a_100102657272_100000739377 [0,2,0,0,0,0|2,0,0]=4 3107 B12R1.24 CNC(=O)c1cccc(c1I)C 527a_100102657272_100000739377 [0,2,0,0,0,0|2,0,0]=4 3108 B12R1.24 CNC(=O)c1cccc(c1I)Cl 11a_106832991635_100010176784 [0,2,0,0,0,0|2,0,0]=4 3109 B12R1.24 CNC(=O)c1cccc(c1I)Cl 1626a_100102657272_100010176784 [0,2,0,0,0,0|2,0,0]=4 3110 B12R1.24 CNC(=O)c1cccc(c1I)Cl 240690a_100102657272_100010176784 [0,2,0,0,0,0|2,0,0]=4 3111 B12R1.24 CNC(=O)c1cccc(c1I)Cl 527a_100102657272_100010176784 [0,2,0,0,0,0|2,0,0]=4 3112 B12R1.24 CNC(=O)c1cccc(c1I)F 11a_106832991635_100000690930 [0,2,0,0,0,0|2,0,0]=4 3113 B12R1.24 CNC(=O)c1cccc(c1I)F 1626a_100102657272_100000690930 [0,2,0,0,0,0|2,0,0]=4 3114 B12R1.24 CNC(=O)c1cccc(c1I)F 240690a_100102657272_100000690930 [0,2,0,0,0,0|2,0,0]=4 3115 B12R1.24 CNC(=O)c1cccc(c1I)F 527a_100102657272_100000690930 [0,2,0,0,0,0|2,0,0]=4 3116 B12R1.24 CNC(=O)c1cccc(c1I)O 527a_100102657272_100010084636 [0,2,0,0,0,0|2,0,0]=4 3117 B12R1.24 CNC(=O)c1cccc(c1O)Br 240690a_100102657272_100000752940 [0,2,0,0,0,0|2,0,0]=4 3118 B12R1.24 CNC(=O)c1cccc(c1O)Br 527a_100102657272_100000752940 [0,2,0,0,0,0|2,0,0]=4 3119 B12R1.24 CNC(=O)c1cccc(c1O)C 240690a_100102657272_100000183896 [0,2,0,0,0,0|2,0,0]=4 3120 B12R1.24 CNC(=O)c1cccc(c1O)C 527a_100102657272_100000183896 [0,2,0,0,0,0|2,0,0]=4 3121 B12R1.24 CNC(=O)c1cccc(c1O)Cl 240690a_100102657272_100000742801 [0,2,0,0,0,0|2,0,0]=4 3122 B12R1.24 CNC(=O)c1cccc(c1O)Cl 527a_100102657272_100000742801 [0,2,0,0,0,0|2,0,0]=4 3123 B12R1.24 CNC(=O)c1cccc(c1O)F 240690a_100102657272_100011217230 [0,2,0,0,0,0|2,0,0]=4 3124 B12R1.24 CNC(=O)c1cccc(c1O)F 527a_100102657272_100011217230 [0,2,0,0,0,0|2,0,0]=4 3125 B12R1.24 CNC(=O)c1cccc(c1O)O 527a_100102657272_100000690420 [0,2,0,0,0,0|2,0,0]=4 3126 B12R1.24 COC(=O)c1c[nH]cc(c1=O)O 271570a_203496583355_100010873956 [0,2,0,0,0,0|0,0,1]=3 3127 B12R1.24 COC(=O)c1cccc(c1Br)O 271570a_203496583355_100010240208 [0,2,0,0,0,0|1,0,0]=3 3128 B12R1.24 COC(=O)c1cccc(c1C)O 271570a_203496583355_100012298220 [0,2,0,0,0,0|1,0,0]=3 3129 B12R1.24 COC(=O)c1cccc(c1F)O 271570a_203496583355_100012355674 [0,2,0,0,0,0|1,0,0]=3 3130 B12R1.24 COC(=O)c1cccc(c1N)O 271570a_203496583355_100011356556 [0,2,0,0,0,0|1,0,0]=3 3131 B12R1.24 COC(=O)c1cccc(c1O)Br 271570a_203496583355_100010150843 [0,2,0,0,0,0|1,0,0]=3 3132 B12R1.24 COC(=O)c1cccc(c1O)C 271570a_203496583355_100012002529 [0,2,0,0,0,0|1,0,0]=3 3133 B12R1.24 COC(=O)c1cccc(c1O)F 271570a_203496583355_100012357630 [0,2,0,0,0,0|1,0,0]=3 3134 B12R1.24 COC(=O)c1cccc(c1O)N 271570a_203496583355_100000719424 [0,2,0,0,0,0|1,0,0]=3 3135 B12R1.24 COC(=O)c1cccc(c1O)O 271570a_203496583355_100009816214 [0,2,0,0,0,0|1,0,0]=3 3136 B12R1.24 COC(=O)c1cccc(c1O)O 271570a_203496583355_200010230364 [0,2,0,0,0,0|1,0,0]=3 3137 B12R1.24 COC(=O)c1ccnc(c1C)O 271570a_203496583355_100000087782 [0,2,0,0,0,0|2,0,0]=4 3138 B12R1.24 COC(=O)c1ccnc(c1F)O 271570a_203496583355_100000081818 [0,2,0,0,0,0|2,0,0]=4 3139 B12R1.24 COC(=O)c1ccnc(c1N)O 271570a_203496583355_100000067308 [0,2,0,0,0,0|2,0,0]=4 3140 B12R1.24 COC(=O)c1cncc(c1C)O 271570a_203496583355_100010713144 [0,2,0,0,0,0|0,0,0]=2 3141 B12R1.24 COC(=O)c1nccc(c1C)O 271570a_203496583355_100000094583 [0,2,0,0,0,0|2,0,0]=4 3142 B12R1.24 COC(=O)c1nccc(c1F)O 271570a_203496583355_100000687924 [0,2,0,0,0,0|2,0,0]=4 3143 B12R1.225 CC(=C(C)c1cncc(c1)Br)C 271570a_200000049429_100000728054 [0,2,0,0,0,0|2,0,0]=4 3144 B12R1.225 CC(=C(C)c1cncc(c1)C)C 271570a_200000049429_100000760492 [0,2,0,0,0,0|2,0,0]=4 3145 B12R1.225 CC(=C(C)c1cncc(c1)Cl)C 271570a_200000049429_100000049639 [0,2,0,0,0,0|2,0,0]=4 3146 B12R1.225 CC(=C(C)c1cncc(c1)F)C 271570a_200000049429_100000744099 [0,2,0,0,0,0|2,0,0]=4 3147 B12R1.225 CC(=C(C)c1cncc(c1)N)C 271570a_200000049429_100000687067 [0,2,0,0,0,0|2,0,0]=4 3148 B12R1.225 CC(=C(C)c1cncc(c1)O)C 271570a_200000049429_100000754920 [0,2,0,0,0,0|2,0,0]=4 3149 B12R1.225 CC(C)C(=O)c1cccc(c1)Br 1458a_100000210664_100000210206 [0,2,0,0,0,0|2,0,0]=4 3150 B12R1.225 CC(C)C(=O)c1cccc(c1)Cl 1458a_100000210390_100000210206 [0,2,0,0,0,0|2,0,0]=4 3151 B12R1.225 CC(C)C(=O)c1cccc(c1)F 1458a_100000210950_100000210206 [0,2,0,0,0,0|2,0,0]=4 3152 B12R1.225 CC(C)C(=O)c1cccc(c1)I 1458a_100000184098_100000210206 [0,2,0,0,0,0|2,0,0]=4 3153 B12R1.225 CC(C)C(=O)c1cccc(c1)O 1458a_100000183914_100000210206 [0,2,0,0,0,0|2,0,0]=4 3154 B12R1.225 CC(C)C(=O)c1cccc(c1)O 271570a_203496583355_100011350656 [0,2,0,0,0,0|2,0,0]=4 3155 B12R1.225 CN(C)C(=O)c1cccc(c1)Br 11a_100102631434_100000210664 [0,2,0,0,0,0|2,0,0]=4 3156 B12R1.225 CN(C)C(=O)c1cccc(c1)Br 1626a_100102631434_100000210664 [0,2,0,0,0,0|2,0,0]=4 3157 B12R1.225 CN(C)C(=O)c1cccc(c1)Br 240690a_100102631434_100000210664 [0,2,0,0,0,0|2,0,0]=4 3158 B12R1.225 CN(C)C(=O)c1cccc(c1)Br 527a_100102631434_100000210664 [0,2,0,0,0,0|2,0,0]=4 3159 B12R1.225 CN(C)C(=O)c1cccc(c1)Cl 11a_100102631434_100000210390 [0,2,0,0,0,0|2,0,0]=4 3160 B12R1.225 CN(C)C(=O)c1cccc(c1)Cl 1626a_100102631434_100000210390 [0,2,0,0,0,0|2,0,0]=4 3161 B12R1.225 CN(C)C(=O)c1cccc(c1)Cl 240690a_100102631434_100000210390 [0,2,0,0,0,0|2,0,0]=4 3162 B12R1.225 CN(C)C(=O)c1cccc(c1)Cl 527a_100102631434_100000210390 [0,2,0,0,0,0|2,0,0]=4 3163 B12R1.225 CN(C)C(=O)c1cccc(c1)F 11a_100102631434_100000210950 [0,2,0,0,0,0|2,0,0]=4 3164 B12R1.225 CN(C)C(=O)c1cccc(c1)F 1626a_100102631434_100000210950 [0,2,0,0,0,0|2,0,0]=4 3165 B12R1.225 CN(C)C(=O)c1cccc(c1)F 240690a_100102631434_100000210950 [0,2,0,0,0,0|2,0,0]=4 3166 B12R1.225 CN(C)C(=O)c1cccc(c1)F 527a_100102631434_100000210950 [0,2,0,0,0,0|2,0,0]=4 3167 B12R1.225 CN(C)C(=O)c1cccc(c1)I 11a_100102631434_100000184098 [0,2,0,0,0,0|2,0,0]=4 3168 B12R1.225 CN(C)C(=O)c1cccc(c1)I 1626a_100102631434_100000184098 [0,2,0,0,0,0|2,0,0]=4 3169 B12R1.225 CN(C)C(=O)c1cccc(c1)I 240690a_100102631434_100000184098 [0,2,0,0,0,0|2,0,0]=4 3170 B12R1.225 CN(C)C(=O)c1cccc(c1)I 527a_100102631434_100000184098 [0,2,0,0,0,0|2,0,0]=4 3171 B12R1.225 CN(C)C(=O)c1cccc(c1)O 240690a_100102631434_100000183914 [0,2,0,0,0,0|2,0,0]=4 3172 B12R1.225 CN(C)C(=O)c1cccc(c1)O 271570a_203496583355_100000159571 [0,2,0,0,0,0|2,0,0]=4 3173 B12R1.225 CN(C)C(=O)c1cccc(c1)O 527a_100102631434_100000183914 [0,2,0,0,0,0|2,0,0]=4 3174 B12R1.225 CN(C)C(=O)c1cncc(c1)O 271570a_203496583355_200000159598 [0,2,0,0,0,0|1,0,0]=3 3175 B12R1.225 Cc1cccc(c1)C(=O)C(C)C 1458a_100000189346_100000210206 [0,2,0,0,0,0|2,0,0]=4 3176 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 11a_100102631434_100000189346 [0,2,0,0,0,0|2,0,0]=4 3177 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 1626a_100102631434_100000189346 [0,2,0,0,0,0|2,0,0]=4 3178 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 240690a_100102631434_100000189346 [0,2,0,0,0,0|2,0,0]=4 3179 B12R1.225 Cc1cccc(c1)C(=O)N(C)C 527a_100102631434_100000189346 [0,2,0,0,0,0|2,0,0]=4 3180 B12R1.354 CCC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000210202 [0,2,0,0,0,0|2,0,0]=4 3181 B12R1.354 CCC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000210202 [0,2,0,0,0,0|2,0,0]=4 3182 B12R1.354 CCC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000210202 [0,2,0,0,0,0|2,0,0]=4 3183 B12R1.354 CCC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000210202 [0,2,0,0,0,0|2,0,0]=4 3184 B12R1.354 CCC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000210202 [0,2,0,0,0,0|2,0,0]=4 3185 B12R1.354 CCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000210202 [0,2,0,0,0,0|2,0,0]=4 3186 B12R1.354 CCC(=O)c1cc(ccc1C)Br 1458a_100000759961_100000210202 [0,2,0,0,0,0|2,0,0]=4 3187 B12R1.354 CCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000210202 [0,2,0,0,0,0|2,0,0]=4 3188 B12R1.354 CCC(=O)c1cc(ccc1C)Cl 1458a_100000692595_100000210202 [0,2,0,0,0,0|2,0,0]=4 3189 B12R1.354 CCC(=O)c1cc(ccc1C)F 1458a_100000240043_100000210202 [0,2,0,0,0,0|2,0,0]=4 3190 B12R1.354 CCC(=O)c1cc(ccc1C)I 1458a_100000688012_100000210202 [0,2,0,0,0,0|2,0,0]=4 3191 B12R1.354 CCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000210202 [0,2,0,0,0,0|2,0,0]=4 3192 B12R1.354 CCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000210202 [0,2,0,0,0,0|2,0,0]=4 3193 B12R1.354 CCC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000210202 [0,2,0,0,0,0|2,0,0]=4 3194 B12R1.354 CCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000210202 [0,2,0,0,0,0|2,0,0]=4 3195 B12R1.354 CCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000210202 [0,2,0,0,0,0|2,0,0]=4 3196 B12R1.354 CCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000210202 [0,2,0,0,0,0|2,0,0]=4 3197 B12R1.354 CCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000210202 [0,2,0,0,0,0|2,0,0]=4 3198 B12R1.354 CCC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000210202 [0,2,0,0,0,0|2,0,0]=4 3199 B12R1.354 CCC(=O)c1cc(ccc1F)C 1458a_100000749327_100000210202 [0,2,0,0,0,0|2,0,0]=4 3200 B12R1.354 CCC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000210202 [0,2,0,0,0,0|2,0,0]=4 3201 B12R1.354 CCC(=O)c1cc(ccc1F)F 1458a_100000198512_100000210202 [0,2,0,0,0,0|2,0,0]=4 3202 B12R1.354 CCC(=O)c1cc(ccc1F)I 1458a_100000688014_100000210202 [0,2,0,0,0,0|2,0,0]=4 3203 B12R1.354 CCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000210202 [0,2,0,0,0,0|2,0,0]=4 3204 B12R1.354 CCC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000210202 [0,2,0,0,0,0|2,0,0]=4 3205 B12R1.354 CCC(=O)c1cc(ccc1I)C 1458a_100000057929_100000210202 [0,2,0,0,0,0|2,0,0]=4 3206 B12R1.354 CCC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000210202 [0,2,0,0,0,0|2,0,0]=4 3207 B12R1.354 CCC(=O)c1cc(ccc1I)F 1458a_100000748905_100000210202 [0,2,0,0,0,0|2,0,0]=4 3208 B12R1.354 CCC(=O)c1cc(ccc1I)I 1458a_100000750460_100000210202 [0,2,0,0,0,0|2,0,0]=4 3209 B12R1.354 CCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000210202 [0,2,0,0,0,0|2,0,0]=4 3210 B12R1.354 CCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000210202 [0,2,0,0,0,0|2,0,0]=4 3211 B12R1.354 CCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210202 [0,2,0,0,0,0|2,0,0]=4 3212 B12R1.354 CCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000210202 [0,2,0,0,0,0|2,0,0]=4 3213 B12R1.354 CCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000210202 [0,2,0,0,0,0|2,0,0]=4 3214 B12R1.354 CCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000210202 [0,2,0,0,0,0|2,0,0]=4 3215 B12R1.354 CCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210202 [0,2,0,0,0,0|2,0,0]=4 3216 B12R1.354 CCC(=O)c1cc(ccc1O)O 271570a_203496583355_100000183607 [0,2,0,0,0,0|2,0,0]=4 3217 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 11a_106832991635_100000690610 [0,2,0,0,0,0|2,0,0]=4 3218 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 1626a_100102657272_100000690610 [0,2,0,0,0,0|2,0,0]=4 3219 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 240690a_100102657272_100000690610 [0,2,0,0,0,0|2,0,0]=4 3220 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 527a_100102657272_100000690610 [0,2,0,0,0,0|2,0,0]=4 3221 B12R1.354 CNC(=O)c1cc(ccc1Br)C 11a_106832991635_100000689033 [0,2,0,0,0,0|2,0,0]=4 3222 B12R1.354 CNC(=O)c1cc(ccc1Br)C 1626a_100102657272_100000689033 [0,2,0,0,0,0|2,0,0]=4 3223 B12R1.354 CNC(=O)c1cc(ccc1Br)C 240690a_100102657272_100000689033 [0,2,0,0,0,0|2,0,0]=4 3224 B12R1.354 CNC(=O)c1cc(ccc1Br)C 527a_100102657272_100000689033 [0,2,0,0,0,0|2,0,0]=4 3225 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 11a_106832991635_100000736951 [0,2,0,0,0,0|2,0,0]=4 3226 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 1626a_100102657272_100000736951 [0,2,0,0,0,0|2,0,0]=4 3227 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 240690a_100102657272_100000736951 [0,2,0,0,0,0|2,0,0]=4 3228 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 527a_100102657272_100000736951 [0,2,0,0,0,0|2,0,0]=4 3229 B12R1.354 CNC(=O)c1cc(ccc1Br)F 11a_106832991635_100000212315 [0,2,0,0,0,0|2,0,0]=4 3230 B12R1.354 CNC(=O)c1cc(ccc1Br)F 1626a_100102657272_100000212315 [0,2,0,0,0,0|2,0,0]=4 3231 B12R1.354 CNC(=O)c1cc(ccc1Br)F 240690a_100102657272_100000212315 [0,2,0,0,0,0|2,0,0]=4 3232 B12R1.354 CNC(=O)c1cc(ccc1Br)F 527a_100102657272_100000212315 [0,2,0,0,0,0|2,0,0]=4 3233 B12R1.354 CNC(=O)c1cc(ccc1Br)I 11a_106832991635_100000698340 [0,2,0,0,0,0|2,0,0]=4 3234 B12R1.354 CNC(=O)c1cc(ccc1Br)I 1626a_100102657272_100000698340 [0,2,0,0,0,0|2,0,0]=4 3235 B12R1.354 CNC(=O)c1cc(ccc1Br)I 240690a_100102657272_100000698340 [0,2,0,0,0,0|2,0,0]=4 3236 B12R1.354 CNC(=O)c1cc(ccc1Br)I 527a_100102657272_100000698340 [0,2,0,0,0,0|2,0,0]=4 3237 B12R1.354 CNC(=O)c1cc(ccc1Br)O 240690a_100102657272_100012352043 [0,2,0,0,0,0|2,0,0]=4 3238 B12R1.354 CNC(=O)c1cc(ccc1Br)O 527a_100102657272_100012352043 [0,2,0,0,0,0|2,0,0]=4 3239 B12R1.354 CNC(=O)c1cc(ccc1C)Br 11a_106832991635_100000759961 [0,2,0,0,0,0|2,0,0]=4 3240 B12R1.354 CNC(=O)c1cc(ccc1C)Br 1626a_100102657272_100000759961 [0,2,0,0,0,0|2,0,0]=4 3241 B12R1.354 CNC(=O)c1cc(ccc1C)Br 240690a_100102657272_100000759961 [0,2,0,0,0,0|2,0,0]=4 3242 B12R1.354 CNC(=O)c1cc(ccc1C)Br 527a_100102657272_100000759961 [0,2,0,0,0,0|2,0,0]=4 3243 B12R1.354 CNC(=O)c1cc(ccc1C)C 11a_106832991635_100000195421 [0,2,0,0,0,0|2,0,0]=4 3244 B12R1.354 CNC(=O)c1cc(ccc1C)C 1626a_100102657272_100000195421 [0,2,0,0,0,0|2,0,0]=4 3245 B12R1.354 CNC(=O)c1cc(ccc1C)C 240690a_100102657272_100000195421 [0,2,0,0,0,0|2,0,0]=4 3246 B12R1.354 CNC(=O)c1cc(ccc1C)C 527a_100102657272_100000195421 [0,2,0,0,0,0|2,0,0]=4 3247 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 11a_106832991635_100000692595 [0,2,0,0,0,0|2,0,0]=4 3248 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 1626a_100102657272_100000692595 [0,2,0,0,0,0|2,0,0]=4 3249 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 240690a_100102657272_100000692595 [0,2,0,0,0,0|2,0,0]=4 3250 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 527a_100102657272_100000692595 [0,2,0,0,0,0|2,0,0]=4 3251 B12R1.354 CNC(=O)c1cc(ccc1C)F 11a_106832991635_100000240043 [0,2,0,0,0,0|2,0,0]=4 3252 B12R1.354 CNC(=O)c1cc(ccc1C)F 1626a_100102657272_100000240043 [0,2,0,0,0,0|2,0,0]=4 3253 B12R1.354 CNC(=O)c1cc(ccc1C)F 240690a_100102657272_100000240043 [0,2,0,0,0,0|2,0,0]=4 3254 B12R1.354 CNC(=O)c1cc(ccc1C)F 527a_100102657272_100000240043 [0,2,0,0,0,0|2,0,0]=4 3255 B12R1.354 CNC(=O)c1cc(ccc1C)I 11a_106832991635_100000688012 [0,2,0,0,0,0|2,0,0]=4 3256 B12R1.354 CNC(=O)c1cc(ccc1C)I 1626a_100102657272_100000688012 [0,2,0,0,0,0|2,0,0]=4 3257 B12R1.354 CNC(=O)c1cc(ccc1C)I 240690a_100102657272_100000688012 [0,2,0,0,0,0|2,0,0]=4 3258 B12R1.354 CNC(=O)c1cc(ccc1C)I 527a_100102657272_100000688012 [0,2,0,0,0,0|2,0,0]=4 3259 B12R1.354 CNC(=O)c1cc(ccc1C)O 240690a_100102657272_100000687834 [0,2,0,0,0,0|2,0,0]=4 3260 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 11a_106832991635_100000211212 [0,2,0,0,0,0|2,0,0]=4 3261 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 1626a_100102657272_100000211212 [0,2,0,0,0,0|2,0,0]=4 3262 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 240690a_100102657272_100000211212 [0,2,0,0,0,0|2,0,0]=4 3263 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 527a_100102657272_100000211212 [0,2,0,0,0,0|2,0,0]=4 3264 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 11a_106832991635_100011290873 [0,2,0,0,0,0|2,0,0]=4 3265 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 1626a_100102657272_100011290873 [0,2,0,0,0,0|2,0,0]=4 3266 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 240690a_100102657272_100011290873 [0,2,0,0,0,0|2,0,0]=4 3267 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 527a_100102657272_100011290873 [0,2,0,0,0,0|2,0,0]=4 3268 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 11a_106832991635_100000210642 [0,2,0,0,0,0|2,0,0]=4 3269 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 1626a_100102657272_100000210642 [0,2,0,0,0,0|2,0,0]=4 3270 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 240690a_100102657272_100000210642 [0,2,0,0,0,0|2,0,0]=4 3271 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 527a_100102657272_100000210642 [0,2,0,0,0,0|2,0,0]=4 3272 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 11a_106832991635_100011219680 [0,2,0,0,0,0|2,0,0]=4 3273 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 1626a_100102657272_100011219680 [0,2,0,0,0,0|2,0,0]=4 3274 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 240690a_100102657272_100011219680 [0,2,0,0,0,0|2,0,0]=4 3275 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 527a_100102657272_100011219680 [0,2,0,0,0,0|2,0,0]=4 3276 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 11a_106832991635_100000688013 [0,2,0,0,0,0|2,0,0]=4 3277 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 1626a_100102657272_100000688013 [0,2,0,0,0,0|2,0,0]=4 3278 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 240690a_100102657272_100000688013 [0,2,0,0,0,0|2,0,0]=4 3279 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 527a_100102657272_100000688013 [0,2,0,0,0,0|2,0,0]=4 3280 B12R1.354 CNC(=O)c1cc(ccc1Cl)O 240690a_100102657272_100000719527 [0,2,0,0,0,0|2,0,0]=4 3281 B12R1.354 CNC(=O)c1cc(ccc1Cl)O 527a_100102657272_100000719527 [0,2,0,0,0,0|2,0,0]=4 3282 B12R1.354 CNC(=O)c1cc(ccc1F)Br 11a_106832991635_100000212322 [0,2,0,0,0,0|2,0,0]=4 3283 B12R1.354 CNC(=O)c1cc(ccc1F)Br 1626a_100102657272_100000212322 [0,2,0,0,0,0|2,0,0]=4 3284 B12R1.354 CNC(=O)c1cc(ccc1F)Br 240690a_100102657272_100000212322 [0,2,0,0,0,0|2,0,0]=4 3285 B12R1.354 CNC(=O)c1cc(ccc1F)Br 527a_100102657272_100000212322 [0,2,0,0,0,0|2,0,0]=4 3286 B12R1.354 CNC(=O)c1cc(ccc1F)C 11a_106832991635_100000749327 [0,2,0,0,0,0|2,0,0]=4 3287 B12R1.354 CNC(=O)c1cc(ccc1F)C 1626a_100102657272_100000749327 [0,2,0,0,0,0|2,0,0]=4 3288 B12R1.354 CNC(=O)c1cc(ccc1F)C 240690a_100102657272_100000749327 [0,2,0,0,0,0|2,0,0]=4 3289 B12R1.354 CNC(=O)c1cc(ccc1F)C 527a_100102657272_100000749327 [0,2,0,0,0,0|2,0,0]=4 3290 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 11a_106832991635_100000214954 [0,2,0,0,0,0|2,0,0]=4 3291 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 1626a_100102657272_100000214954 [0,2,0,0,0,0|2,0,0]=4 3292 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 240690a_100102657272_100000214954 [0,2,0,0,0,0|2,0,0]=4 3293 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 527a_100102657272_100000214954 [0,2,0,0,0,0|2,0,0]=4 3294 B12R1.354 CNC(=O)c1cc(ccc1F)F 11a_106832991635_100000198512 [0,2,0,0,0,0|2,0,0]=4 3295 B12R1.354 CNC(=O)c1cc(ccc1F)F 1626a_100102657272_100000198512 [0,2,0,0,0,0|2,0,0]=4 3296 B12R1.354 CNC(=O)c1cc(ccc1F)F 240690a_100102657272_100000198512 [0,2,0,0,0,0|2,0,0]=4 3297 B12R1.354 CNC(=O)c1cc(ccc1F)F 527a_100102657272_100000198512 [0,2,0,0,0,0|2,0,0]=4 3298 B12R1.354 CNC(=O)c1cc(ccc1F)I 11a_106832991635_100000688014 [0,2,0,0,0,0|2,0,0]=4 3299 B12R1.354 CNC(=O)c1cc(ccc1F)I 1626a_100102657272_100000688014 [0,2,0,0,0,0|2,0,0]=4 3300 B12R1.354 CNC(=O)c1cc(ccc1F)I 240690a_100102657272_100000688014 [0,2,0,0,0,0|2,0,0]=4 3301 B12R1.354 CNC(=O)c1cc(ccc1F)I 527a_100102657272_100000688014 [0,2,0,0,0,0|2,0,0]=4 3302 B12R1.354 CNC(=O)c1cc(ccc1F)O 240690a_100102657272_100000037260 [0,2,0,0,0,0|2,0,0]=4 3303 B12R1.354 CNC(=O)c1cc(ccc1F)O 271570a_203496583355_100000155058 [0,2,0,0,0,0|2,0,0]=4 3304 B12R1.354 CNC(=O)c1cc(ccc1F)O 527a_100102657272_100000037260 [0,2,0,0,0,0|2,0,0]=4 3305 B12R1.354 CNC(=O)c1cc(ccc1I)Br 11a_106832991635_100000183945 [0,2,0,0,0,0|2,0,0]=4 3306 B12R1.354 CNC(=O)c1cc(ccc1I)Br 1626a_100102657272_100000183945 [0,2,0,0,0,0|2,0,0]=4 3307 B12R1.354 CNC(=O)c1cc(ccc1I)Br 240690a_100102657272_100000183945 [0,2,0,0,0,0|2,0,0]=4 3308 B12R1.354 CNC(=O)c1cc(ccc1I)C 11a_106832991635_100000057929 [0,2,0,0,0,0|2,0,0]=4 3309 B12R1.354 CNC(=O)c1cc(ccc1I)C 1626a_100102657272_100000057929 [0,2,0,0,0,0|2,0,0]=4 3310 B12R1.354 CNC(=O)c1cc(ccc1I)C 240690a_100102657272_100000057929 [0,2,0,0,0,0|2,0,0]=4 3311 B12R1.354 CNC(=O)c1cc(ccc1I)C 527a_100102657272_100000057929 [0,2,0,0,0,0|2,0,0]=4 3312 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 11a_106832991635_100000739379 [0,2,0,0,0,0|2,0,0]=4 3313 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 1626a_100102657272_100000739379 [0,2,0,0,0,0|2,0,0]=4 3314 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 240690a_100102657272_100000739379 [0,2,0,0,0,0|2,0,0]=4 3315 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 527a_100102657272_100000739379 [0,2,0,0,0,0|2,0,0]=4 3316 B12R1.354 CNC(=O)c1cc(ccc1I)F 11a_106832991635_100000748905 [0,2,0,0,0,0|2,0,0]=4 3317 B12R1.354 CNC(=O)c1cc(ccc1I)F 1626a_100102657272_100000748905 [0,2,0,0,0,0|2,0,0]=4 3318 B12R1.354 CNC(=O)c1cc(ccc1I)F 240690a_100102657272_100000748905 [0,2,0,0,0,0|2,0,0]=4 3319 B12R1.354 CNC(=O)c1cc(ccc1I)F 527a_100102657272_100000748905 [0,2,0,0,0,0|2,0,0]=4 3320 B12R1.354 CNC(=O)c1cc(ccc1I)I 11a_106832991635_100000750460 [0,2,0,0,0,0|2,0,0]=4 3321 B12R1.354 CNC(=O)c1cc(ccc1I)I 1626a_100102657272_100000750460 [0,2,0,0,0,0|2,0,0]=4 3322 B12R1.354 CNC(=O)c1cc(ccc1I)I 240690a_100102657272_100000750460 [0,2,0,0,0,0|2,0,0]=4 3323 B12R1.354 CNC(=O)c1cc(ccc1I)I 527a_100102657272_100000750460 [0,2,0,0,0,0|2,0,0]=4 3324 B12R1.354 CNC(=O)c1cc(ccc1I)O 1626a_100102657272_200009995701 [0,2,0,0,0,0|2,0,0]=4 3325 B12R1.354 CNC(=O)c1cc(ccc1I)O 240690a_100102657272_200009995701 [0,2,0,0,0,0|2,0,0]=4 3326 B12R1.354 CNC(=O)c1cc(ccc1I)O 527a_100102657272_200009995701 [0,2,0,0,0,0|2,0,0]=4 3327 B12R1.354 CNC(=O)c1cc(ccc1N)O 271570a_203496583355_100000690504 [0,2,0,0,0,0|2,0,0]=4 3328 B12R1.354 CNC(=O)c1cc(ccc1O)Br 1626a_100102657272_100000212140 [0,2,0,0,0,0|2,0,0]=4 3329 B12R1.354 CNC(=O)c1cc(ccc1O)Br 240690a_100102657272_100000212140 [0,2,0,0,0,0|2,0,0]=4 3330 B12R1.354 CNC(=O)c1cc(ccc1O)Br 527a_100102657272_100000212140 [0,2,0,0,0,0|2,0,0]=4 3331 B12R1.354 CNC(=O)c1cc(ccc1O)C 240690a_100102657272_100000229998 [0,2,0,0,0,0|2,0,0]=4 3332 B12R1.354 CNC(=O)c1cc(ccc1O)C 527a_100102657272_100000229998 [0,2,0,0,0,0|2,0,0]=4 3333 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 11a_106832991635_100000212143 [0,2,0,0,0,0|2,0,0]=4 3334 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 1626a_100102657272_100000212143 [0,2,0,0,0,0|2,0,0]=4 3335 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 240690a_100102657272_100000212143 [0,2,0,0,0,0|2,0,0]=4 3336 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 271570a_203496583355_200011279454 [0,2,0,0,0,0|2,0,0]=4 3337 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 527a_100102657272_100000212143 [0,2,0,0,0,0|2,0,0]=4 3338 B12R1.354 CNC(=O)c1cc(ccc1O)F 240690a_100102657272_100000742286 [0,2,0,0,0,0|2,0,0]=4 3339 B12R1.354 CNC(=O)c1cc(ccc1O)F 271570a_203496583355_200000206232 [0,2,0,0,0,0|2,0,0]=4 3340 B12R1.354 CNC(=O)c1cc(ccc1O)F 527a_100102657272_100000742286 [0,2,0,0,0,0|2,0,0]=4 3341 B12R1.354 CNC(=O)c1cc(ccc1O)I 240690a_100102657272_100000212111 [0,2,0,0,0,0|2,0,0]=4 3342 B12R1.354 CNC(=O)c1cc(ccc1O)I 527a_100102657272_100000212111 [0,2,0,0,0,0|2,0,0]=4 3343 B12R1.354 COC(=O)c1cc(c[nH]c1=O)O 271570a_203496583355_100009816710 [0,2,0,0,0,0|0,0,1]=3 3344 B12R1.354 COC(=O)c1cc(ccc1Br)O 271570a_203496583355_100012340073 [0,2,0,0,0,0|1,0,0]=3 3345 B12R1.354 COC(=O)c1cc(ccc1C)O 271570a_203496583355_100012360116 [0,2,0,0,0,0|1,0,0]=3 3346 B12R1.354 COC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100012353682 [0,2,0,0,0,0|1,0,0]=3 3347 B12R1.354 COC(=O)c1cc(ccc1F)O 271570a_203496583355_100000154357 [0,2,0,0,0,0|1,0,0]=3 3348 B12R1.354 COC(=O)c1cc(ccc1N)O 271570a_203496583355_100000212070 [0,2,0,0,0,0|1,0,0]=3 3349 B12R1.354 COC(=O)c1cc(ccc1O)Br 271570a_203496583355_100000148213 [0,2,0,0,0,0|1,0,0]=3 3350 B12R1.354 COC(=O)c1cc(ccc1O)C 271570a_203496583355_100012339458 [0,2,0,0,0,0|1,0,0]=3 3351 B12R1.354 COC(=O)c1cc(ccc1O)Cl 271570a_203496583355_100011294804 [0,2,0,0,0,0|1,0,0]=3 3352 B12R1.354 COC(=O)c1cc(ccc1O)F 271570a_203496583355_100000205820 [0,2,0,0,0,0|1,0,0]=3 3353 B12R1.354 COC(=O)c1cc(ccc1O)N 271570a_203496583355_100000696289 [0,2,0,0,0,0|1,0,0]=3 3354 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100000149868 [0,2,0,0,0,0|1,0,0]=3 3355 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100010230369 [0,2,0,0,0,0|1,0,0]=3 3356 B12R1.354 COC(=O)c1cc(cnc1C)O 271570a_203496583355_100010180201 [0,2,0,0,0,0|0,0,0]=2 3357 B12R1.354 COC(=O)c1cc(cnc1F)O 271570a_203496583355_100010243567 [0,2,0,0,0,0|0,0,0]=2 3358 B12R1.354 COC(=O)c1cc(cnc1N)O 271570a_203496583355_100009816750 [0,2,0,0,0,0|0,0,0]=2 3359 B12R1.354 COC(=O)c1cc(cnc1O)C 271570a_203496583355_100000085774 [0,2,0,0,0,0|0,0,0]=2 3360 B12R1.354 COC(=O)c1cc(cnc1O)F 271570a_203496583355_100012000215 [0,2,0,0,0,0|0,0,0]=2 3361 B12R1.354 COC(=O)c1cc(cnc1O)N 271570a_203496583355_200012182668 [0,2,0,0,0,0|0,0,0]=2 3362 B12R1.354 COC(=O)c1cc(n[nH]c1=O)O 271570a_203496583355_100009885168 [0,2,0,0,0,0|1,0,1]=4 3363 B12R1.354 COC(=O)c1cc(ncc1C)O 271570a_203496583355_100009858526 [0,2,0,0,0,0|2,0,0]=4 3364 B12R1.354 COC(=O)c1cc(ncc1F)O 271570a_203496583355_100010218257 [0,2,0,0,0,0|2,0,0]=4 3365 B12R1.354 COC(=O)c1cc(ncc1N)O 271570a_203496583355_100012180746 [0,2,0,0,0,0|2,0,0]=4 3366 B12R1.354 COC(=O)c1cc(ncc1O)N 271570a_203496583355_100011934820 [0,2,0,0,0,0|2,0,0]=4 3367 B12R1.354 COC(=O)c1cc(ncc1O)O 271570a_203496583355_100009816900 [0,2,0,0,0,0|2,0,0]=4 3368 B12R1.354 COC(=O)c1cc(ncc1O)O 271570a_203496583355_100010136202 [0,2,0,0,0,0|2,0,0]=4 3369 B12R1.354 COC(=O)c1nc(ccc1C)O 271570a_203496583355_100000117997 [0,2,0,0,0,0|2,0,0]=4 3370 B12R1.354 COC(=O)c1nc(ccc1F)O 271570a_203496583355_100000697719 [0,2,0,0,0,0|2,0,0]=4 3371 B12R1.354 COC(=O)c1nc(ccc1N)O 271570a_203496583355_100009860768 [0,2,0,0,0,0|2,0,0]=4 3372 B12R1.354 COC(=O)c1nc(ccc1O)N 271570a_203496583355_100009816986 [0,2,0,0,0,0|2,0,0]=4 3373 B12R1.354 COC(=O)c1nc(ccc1O)O 271570a_203496583355_100000697862 [0,2,0,0,0,0|2,0,0]=4 3374 B12R1.354 COC(=O)c1nc(ccc1O)O 271570a_203496583355_100010189638 [0,2,0,0,0,0|2,0,0]=4 3375 B12R1.354 COC(=O)c1nc(cnc1C)O 271570a_203496583355_100010884432 [0,2,0,0,0,0|1,0,0]=3 3376 B12R1.354 COC(=O)c1nc(cnc1N)O 271570a_203496583355_100000076761 [0,2,0,0,0,0|1,0,0]=3 3377 B12R1.358 CCC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100000210202 [0,2,0,0,0,0|2,0,0]=4 3378 B12R1.358 CCC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_100000210202 [0,2,0,0,0,0|2,0,0]=4 3379 B12R1.358 CCC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000210202 [0,2,0,0,0,0|2,0,0]=4 3380 B12R1.358 CCC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100000210202 [0,2,0,0,0,0|2,0,0]=4 3381 B12R1.358 CCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000210202 [0,2,0,0,0,0|2,0,0]=4 3382 B12R1.358 CCC(=O)c1cc(cc(c1)C)C 1458a_100000210874_100000210202 [0,2,0,0,0,0|2,0,0]=4 3383 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_100000210202 [0,2,0,0,0,0|2,0,0]=4 3384 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000210202 [0,2,0,0,0,0|2,0,0]=4 3385 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100000210202 [0,2,0,0,0,0|2,0,0]=4 3386 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000210202 [0,2,0,0,0,0|2,0,0]=4 3387 B12R1.358 CCC(=O)c1cc(cc(c1)F)C 1458a_100000763163_100000210202 [0,2,0,0,0,0|2,0,0]=4 3388 B12R1.358 CCC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100000210202 [0,2,0,0,0,0|2,0,0]=4 3389 B12R1.358 CCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000210202 [0,2,0,0,0,0|2,0,0]=4 3390 B12R1.358 CCC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100000210202 [0,2,0,0,0,0|2,0,0]=4 3391 B12R1.358 CCC(=O)c1cc(cc(c1)I)C 1458a_100000729426_100000210202 [0,2,0,0,0,0|2,0,0]=4 3392 B12R1.358 CCC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100000210202 [0,2,0,0,0,0|2,0,0]=4 3393 B12R1.358 CCC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100000210202 [0,2,0,0,0,0|2,0,0]=4 3394 B12R1.358 CCC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100000210202 [0,2,0,0,0,0|2,0,0]=4 3395 B12R1.358 CCC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000210202 [0,2,0,0,0,0|2,0,0]=4 3396 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Br 11a_106832991635_100000687083 [0,2,0,0,0,0|2,0,0]=4 3397 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Br 1626a_100102657272_100000687083 [0,2,0,0,0,0|2,0,0]=4 3398 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Br 240690a_100102657272_100000687083 [0,2,0,0,0,0|2,0,0]=4 3399 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Br 527a_100102657272_100000687083 [0,2,0,0,0,0|2,0,0]=4 3400 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 11a_106832991635_100000760426 [0,2,0,0,0,0|2,0,0]=4 3401 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 1626a_100102657272_100000760426 [0,2,0,0,0,0|2,0,0]=4 3402 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 240690a_100102657272_100000760426 [0,2,0,0,0,0|2,0,0]=4 3403 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 527a_100102657272_100000760426 [0,2,0,0,0,0|2,0,0]=4 3404 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Cl 11a_106832991635_100000687899 [0,2,0,0,0,0|2,0,0]=4 3405 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Cl 1626a_100102657272_100000687899 [0,2,0,0,0,0|2,0,0]=4 3406 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Cl 240690a_100102657272_100000687899 [0,2,0,0,0,0|2,0,0]=4 3407 B12R1.358 CNC(=O)c1cc(cc(c1)Br)Cl 527a_100102657272_100000687899 [0,2,0,0,0,0|2,0,0]=4 3408 B12R1.358 CNC(=O)c1cc(cc(c1)Br)F 11a_106832991635_100000739618 [0,2,0,0,0,0|2,0,0]=4 3409 B12R1.358 CNC(=O)c1cc(cc(c1)Br)F 1626a_100102657272_100000739618 [0,2,0,0,0,0|2,0,0]=4 3410 B12R1.358 CNC(=O)c1cc(cc(c1)Br)F 240690a_100102657272_100000739618 [0,2,0,0,0,0|2,0,0]=4 3411 B12R1.358 CNC(=O)c1cc(cc(c1)Br)F 527a_100102657272_100000739618 [0,2,0,0,0,0|2,0,0]=4 3412 B12R1.358 CNC(=O)c1cc(cc(c1)Br)O 240690a_100102657272_100011934545 [0,2,0,0,0,0|2,0,0]=4 3413 B12R1.358 CNC(=O)c1cc(cc(c1)Br)O 527a_100102657272_100011934545 [0,2,0,0,0,0|2,0,0]=4 3414 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 11a_106832991635_100000210874 [0,2,0,0,0,0|2,0,0]=4 3415 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 1626a_100102657272_100000210874 [0,2,0,0,0,0|2,0,0]=4 3416 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 240690a_100102657272_100000210874 [0,2,0,0,0,0|2,0,0]=4 3417 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 527a_100102657272_100000210874 [0,2,0,0,0,0|2,0,0]=4 3418 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 11a_106832991635_100000684526 [0,2,0,0,0,0|2,0,0]=4 3419 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 1626a_100102657272_100000684526 [0,2,0,0,0,0|2,0,0]=4 3420 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 240690a_100102657272_100000684526 [0,2,0,0,0,0|2,0,0]=4 3421 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 527a_100102657272_100000684526 [0,2,0,0,0,0|2,0,0]=4 3422 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 11a_106832991635_100000210701 [0,2,0,0,0,0|2,0,0]=4 3423 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 1626a_100102657272_100000210701 [0,2,0,0,0,0|2,0,0]=4 3424 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 240690a_100102657272_100000210701 [0,2,0,0,0,0|2,0,0]=4 3425 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 527a_100102657272_100000210701 [0,2,0,0,0,0|2,0,0]=4 3426 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)F 11a_106832991635_100000685768 [0,2,0,0,0,0|2,0,0]=4 3427 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)F 1626a_100102657272_100000685768 [0,2,0,0,0,0|2,0,0]=4 3428 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)F 240690a_100102657272_100000685768 [0,2,0,0,0,0|2,0,0]=4 3429 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)F 527a_100102657272_100000685768 [0,2,0,0,0,0|2,0,0]=4 3430 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)O 240690a_100102657272_100011997059 [0,2,0,0,0,0|2,0,0]=4 3431 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)O 527a_100102657272_100011997059 [0,2,0,0,0,0|2,0,0]=4 3432 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 11a_106832991635_100000763163 [0,2,0,0,0,0|2,0,0]=4 3433 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 1626a_100102657272_100000763163 [0,2,0,0,0,0|2,0,0]=4 3434 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 240690a_100102657272_100000763163 [0,2,0,0,0,0|2,0,0]=4 3435 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 527a_100102657272_100000763163 [0,2,0,0,0,0|2,0,0]=4 3436 B12R1.358 CNC(=O)c1cc(cc(c1)F)F 11a_106832991635_100000211655 [0,2,0,0,0,0|2,0,0]=4 3437 B12R1.358 CNC(=O)c1cc(cc(c1)F)F 1626a_100102657272_100000211655 [0,2,0,0,0,0|2,0,0]=4 3438 B12R1.358 CNC(=O)c1cc(cc(c1)F)F 240690a_100102657272_100000211655 [0,2,0,0,0,0|2,0,0]=4 3439 B12R1.358 CNC(=O)c1cc(cc(c1)F)F 527a_100102657272_100000211655 [0,2,0,0,0,0|2,0,0]=4 3440 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 11a_106832991635_100012017291 [0,2,0,0,0,0|2,0,0]=4 3441 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 240690a_100102657272_100012017291 [0,2,0,0,0,0|2,0,0]=4 3442 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 271570a_203496583355_200011295653 [0,2,0,0,0,0|2,0,0]=4 3443 B12R1.358 CNC(=O)c1cc(cc(c1)F)O 527a_100102657272_100012017291 [0,2,0,0,0,0|2,0,0]=4 3444 B12R1.358 CNC(=O)c1cc(cc(c1)I)Br 11a_106832991635_100000689235 [0,2,0,0,0,0|2,0,0]=4 3445 B12R1.358 CNC(=O)c1cc(cc(c1)I)Br 1626a_100102657272_100000689235 [0,2,0,0,0,0|2,0,0]=4 3446 B12R1.358 CNC(=O)c1cc(cc(c1)I)Br 240690a_100102657272_100000689235 [0,2,0,0,0,0|2,0,0]=4 3447 B12R1.358 CNC(=O)c1cc(cc(c1)I)Br 527a_100102657272_100000689235 [0,2,0,0,0,0|2,0,0]=4 3448 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 11a_106832991635_100000729426 [0,2,0,0,0,0|2,0,0]=4 3449 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 1626a_100102657272_100000729426 [0,2,0,0,0,0|2,0,0]=4 3450 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 240690a_100102657272_100000729426 [0,2,0,0,0,0|2,0,0]=4 3451 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 527a_100102657272_100000729426 [0,2,0,0,0,0|2,0,0]=4 3452 B12R1.358 CNC(=O)c1cc(cc(c1)I)Cl 11a_106832991635_100012047205 [0,2,0,0,0,0|2,0,0]=4 3453 B12R1.358 CNC(=O)c1cc(cc(c1)I)Cl 1626a_100102657272_100012047205 [0,2,0,0,0,0|2,0,0]=4 3454 B12R1.358 CNC(=O)c1cc(cc(c1)I)Cl 240690a_100102657272_100012047205 [0,2,0,0,0,0|2,0,0]=4 3455 B12R1.358 CNC(=O)c1cc(cc(c1)I)Cl 527a_100102657272_100012047205 [0,2,0,0,0,0|2,0,0]=4 3456 B12R1.358 CNC(=O)c1cc(cc(c1)I)F 11a_106832991635_100012047268 [0,2,0,0,0,0|2,0,0]=4 3457 B12R1.358 CNC(=O)c1cc(cc(c1)I)F 1626a_100102657272_100012047268 [0,2,0,0,0,0|2,0,0]=4 3458 B12R1.358 CNC(=O)c1cc(cc(c1)I)F 240690a_100102657272_100012047268 [0,2,0,0,0,0|2,0,0]=4 3459 B12R1.358 CNC(=O)c1cc(cc(c1)I)F 527a_100102657272_100012047268 [0,2,0,0,0,0|2,0,0]=4 3460 B12R1.358 CNC(=O)c1cc(cc(c1)I)I 11a_106832991635_100011204819 [0,2,0,0,0,0|2,0,0]=4 3461 B12R1.358 CNC(=O)c1cc(cc(c1)I)I 1626a_100102657272_100011204819 [0,2,0,0,0,0|2,0,0]=4 3462 B12R1.358 CNC(=O)c1cc(cc(c1)I)I 240690a_100102657272_100011204819 [0,2,0,0,0,0|2,0,0]=4 3463 B12R1.358 CNC(=O)c1cc(cc(c1)I)I 527a_100102657272_100011204819 [0,2,0,0,0,0|2,0,0]=4 3464 B12R1.358 CNC(=O)c1cc(cc(c1)O)C 240690a_100102657272_100000094094 [0,2,0,0,0,0|2,0,0]=4 3465 B12R1.358 CNC(=O)c1cc(cc(c1)O)C 527a_100102657272_100000094094 [0,2,0,0,0,0|2,0,0]=4 3466 B12R1.358 CNC(=O)c1cc(cc(c1)O)O 240690a_100102657272_100000690292 [0,2,0,0,0,0|2,0,0]=4 3467 B12R1.358 CNC(=O)c1cc(cc(c1)O)O 527a_100102657272_100000690292 [0,2,0,0,0,0|2,0,0]=4 3468 B12R1.358 COC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_100012339729 [0,2,0,0,0,0|1,0,0]=3 3469 B12R1.358 COC(=O)c1cc(cc(c1)Cl)O 271570a_203496583355_100000695173 [0,2,0,0,0,0|1,0,0]=3 3470 B12R1.358 COC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100000698578 [0,2,0,0,0,0|1,0,0]=3 3471 B12R1.358 COC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100012359405 [0,2,0,0,0,0|1,0,0]=3 3472 B12R1.358 COC(=O)c1cc(cc(c1)O)N 271570a_203496583355_100138415615 [0,2,0,0,0,0|1,0,0]=3 3473 B12R1.358 COC(=O)c1cc(cc(c1)O)O 271570a_203496583355_100000696291 [0,2,0,0,0,0|1,0,0]=3 3474 B12R1.358 COC(=O)c1cc(cc(n1)O)C 271570a_203496583355_100009865194 [0,2,0,0,0,0|2,0,0]=4 3475 B12R1.358 COC(=O)c1cc(nc(c1)O)C 271570a_203496583355_100000695393 [0,2,0,0,0,0|2,0,0]=4 3476 B12R1.358 COC(=O)c1cc(nc(c1)O)N 271570a_203496583355_100000062536 [0,2,0,0,0,0|2,0,0]=4 3477 B12R1.435 C#Cc1cccc(c1)C(=O)CC 1458a_100011997762_100000210202 [0,2,0,0,0,0|2,0,0]=4 3478 B12R1.435 C#Cc1cccc(c1)C(=O)NC 11a_106832991635_100011997762 [0,2,0,0,0,0|2,0,0]=4 3479 B12R1.435 C#Cc1cccc(c1)C(=O)NC 1626a_100102657272_100011997762 [0,2,0,0,0,0|2,0,0]=4 3480 B12R1.435 C#Cc1cccc(c1)C(=O)NC 240690a_100102657272_100011997762 [0,2,0,0,0,0|2,0,0]=4 3481 B12R1.435 C#Cc1cccc(c1)C(=O)NC 527a_100102657272_100011997762 [0,2,0,0,0,0|2,0,0]=4 3482 B12R1.435 C=Cc1cc(ccn1)C(=O)OC 271570a_100011290941_100011934382 [0,2,0,0,0,0|2,0,0]=4 3483 B12R1.435 C=Cc1cc(cnn1)C(=O)OC 271570a_100011290941_100009862058 [0,2,0,0,0,0|1,0,0]=3 3484 B12R1.435 C=Cc1cccc(c1)C(=O)CC 1458a_100011215009_100000210202 [0,2,0,0,0,0|2,0,0]=4 3485 B12R1.435 C=Cc1cccc(c1)C(=O)CC 271570a_100011290941_100000211677 [0,2,0,0,0,0|2,0,0]=4 3486 B12R1.435 C=Cc1cccc(c1)C(=O)NC 11a_106832991635_100011215009 [0,2,0,0,0,0|2,0,0]=4 3487 B12R1.435 C=Cc1cccc(c1)C(=O)NC 1626a_100102657272_100011215009 [0,2,0,0,0,0|2,0,0]=4 3488 B12R1.435 C=Cc1cccc(c1)C(=O)NC 240690a_100102657272_100011215009 [0,2,0,0,0,0|2,0,0]=4 3489 B12R1.435 C=Cc1cccc(c1)C(=O)NC 271570a_100011290941_100000155082 [0,2,0,0,0,0|2,0,0]=4 3490 B12R1.435 C=Cc1cccc(c1)C(=O)NC 527a_100102657272_100011215009 [0,2,0,0,0,0|2,0,0]=4 3491 B12R1.435 C=Cc1cccc(c1)C(=O)OC 271570a_100011290941_100000148679 [0,2,0,0,0,0|1,0,0]=3 3492 B12R1.435 C=Cc1cccc(n1)C(=O)OC 271570a_100011290941_100000708286 [0,2,0,0,0,0|2,0,0]=4 3493 B12R1.435 C=Cc1ccnc(c1)C(=O)OC 271570a_100011290941_100000693414 [0,2,0,0,0,0|2,0,0]=4 3494 B12R1.435 C=Cc1cncc(c1)C(=O)NC 271570a_100011290941_200000155086 [0,2,0,0,0,0|1,0,0]=3 3495 B12R1.435 C=Cc1cncc(c1)C(=O)NN 271570a_100011290941_100000189809 [0,2,0,0,0,0|2,0,0]=4 3496 B12R1.435 C=Cc1cncc(c1)C(=O)OC 271570a_100011290941_100000148912 [0,2,0,0,0,0|0,0,0]=2 3497 B12R1.435 C=Cc1cncc(n1)C(=O)OC 271570a_100011290941_100000765340 [0,2,0,0,0,0|1,0,0]=3 3498 B12R1.435 CCC(=O)c1cccc(c1)C#N 1458a_100000183950_100000210202 [0,2,0,0,0,0|2,0,0]=4 3499 B12R1.435 CCC(=O)c1cccc(c1)CC 1458a_100011933908_100000210202 [0,2,0,0,0,0|2,0,0]=4 3500 B12R1.435 CCC(=O)c1cccc(c1)CO 1458a_100000746274_100000210202 [0,2,0,0,0,0|2,0,0]=4 3501 B12R1.435 CCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210202 [0,2,0,0,0,0|2,0,0]=4 3502 B12R1.435 CCC(=O)c1cccc(c1)OC 34a_100011996911_200000210301 [0,2,0,0,0,0|2,0,0]=4 3503 B12R1.435 CCC(=O)c1cccc(c1)OC 7a_100011996911_200000210301 [0,2,0,0,0,0|2,0,0]=4 3504 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 34a_100011996911_200025704644 [0,2,0,0,0,0|2,0,0]=4 3505 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 7a_100011996911_200025704644 [0,2,0,0,0,0|2,0,0]=4 3506 B12R1.435 CCC(=O)c1cccc(c1)SC 1458a_100011217804_100000210202 [0,2,0,0,0,0|2,0,0]=4 3507 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_100000211677_200000210301 [0,2,0,0,0,0|2,0,0]=4 3508 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_200000210301_100000211677 [0,2,0,0,0,0|2,0,0]=4 3509 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_100000211677_200025704644 [0,2,0,0,0,0|2,0,0]=4 3510 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000211677 [0,2,0,0,0,0|2,0,0]=4 3511 B12R1.435 CCc1cccc(c1)C(=O)NC 11a_106832991635_100011933908 [0,2,0,0,0,0|2,0,0]=4 3512 B12R1.435 CCc1cccc(c1)C(=O)NC 1626a_100102657272_100011933908 [0,2,0,0,0,0|2,0,0]=4 3513 B12R1.435 CCc1cccc(c1)C(=O)NC 240690a_100102657272_100011933908 [0,2,0,0,0,0|2,0,0]=4 3514 B12R1.435 CCc1cccc(c1)C(=O)NC 527a_100102657272_100011933908 [0,2,0,0,0,0|2,0,0]=4 3515 B12R1.435 CNC(=O)c1cccc(c1)C#N 11a_106832991635_100000183950 [0,2,0,0,0,0|2,0,0]=4 3516 B12R1.435 CNC(=O)c1cccc(c1)C#N 1626a_100102657272_100000183950 [0,2,0,0,0,0|2,0,0]=4 3517 B12R1.435 CNC(=O)c1cccc(c1)C#N 240690a_100102657272_100000183950 [0,2,0,0,0,0|2,0,0]=4 3518 B12R1.435 CNC(=O)c1cccc(c1)C#N 527a_100102657272_100000183950 [0,2,0,0,0,0|2,0,0]=4 3519 B12R1.435 CNC(=O)c1cccc(c1)CO 240690a_100102657272_100000746274 [0,2,0,0,0,0|2,0,0]=4 3520 B12R1.435 CNC(=O)c1cccc(c1)NC 34a_100000185133_200000210301 [0,2,0,0,0,0|2,0,0]=4 3521 B12R1.435 CNC(=O)c1cccc(c1)N[13CH3] 34a_100000185133_200025704644 [0,2,0,0,0,0|2,0,0]=4 3522 B12R1.435 CNC(=O)c1cccc(c1)OC 11a_106832991635_100000188888 [0,2,0,0,0,0|2,0,0]=4 3523 B12R1.435 CNC(=O)c1cccc(c1)OC 1626a_100102657272_100000188888 [0,2,0,0,0,0|2,0,0]=4 3524 B12R1.435 CNC(=O)c1cccc(c1)OC 240690a_100102657272_100000188888 [0,2,0,0,0,0|2,0,0]=4 3525 B12R1.435 CNC(=O)c1cccc(c1)OC 34a_100000159807_200000210301 [0,2,0,0,0,0|2,0,0]=4 3526 B12R1.435 CNC(=O)c1cccc(c1)OC 527a_100102657272_100000188888 [0,2,0,0,0,0|2,0,0]=4 3527 B12R1.435 CNC(=O)c1cccc(c1)OC 7a_100000159807_200000210301 [0,2,0,0,0,0|2,0,0]=4 3528 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 34a_100000159807_200025704644 [0,2,0,0,0,0|2,0,0]=4 3529 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 7a_100000159807_200025704644 [0,2,0,0,0,0|2,0,0]=4 3530 B12R1.435 CNC(=O)c1cccc(c1)SC 11a_106832991635_100011217804 [0,2,0,0,0,0|2,0,0]=4 3531 B12R1.435 CNC(=O)c1cccc(c1)SC 1626a_100102657272_100011217804 [0,2,0,0,0,0|2,0,0]=4 3532 B12R1.435 CNC(=O)c1cccc(c1)SC 240690a_100102657272_100011217804 [0,2,0,0,0,0|2,0,0]=4 3533 B12R1.435 CNC(=O)c1cccc(c1)SC 527a_100102657272_100011217804 [0,2,0,0,0,0|2,0,0]=4 3534 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_100000155082_200000210301 [0,2,0,0,0,0|2,0,0]=4 3535 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_200000210301_100000155082 [0,2,0,0,0,0|2,0,0]=4 3536 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_100000155082_200025704644 [0,2,0,0,0,0|2,0,0]=4 3537 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000155082 [0,2,0,0,0,0|2,0,0]=4 3538 B12R1.435 CNC(=O)c1cncc(c1)NC 27a_100102657272_200000155086 [0,2,0,0,0,0|1,0,0]=3 3539 B12R1.435 CNC(=O)c1cncc(c1)SC 62a_200000155086_200000210301 [0,2,0,0,0,0|1,0,0]=3 3540 B12R1.435 CNC(=O)c1cncc(c1)SC 62a_200000210301_200000155086 [0,2,0,0,0,0|1,0,0]=3 3541 B12R1.435 CNC(=O)c1cncc(c1)S[13CH3] 62a_200000155086_200025704644 [0,2,0,0,0,0|1,0,0]=3 3542 B12R1.435 CNC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_200000155086 [0,2,0,0,0,0|1,0,0]=3 3543 B12R1.435 CNc1cc(cnn1)C(=O)OC 27a_100102657272_100009862058 [0,2,0,0,0,0|1,0,0]=3 3544 B12R1.435 CNc1cccc(n1)C(=O)OC 27a_100102657272_100000708286 [0,2,0,0,0,0|2,0,0]=4 3545 B12R1.435 CNc1cncc(n1)C(=O)OC 27a_100102657272_100000765340 [0,2,0,0,0,0|1,0,0]=3 3546 B12R1.435 COC(=O)c1cc(ccn1)OC 34a_200020638413_200000210301 [0,2,0,0,0,0|2,0,0]=4 3547 B12R1.435 COC(=O)c1cc(ccn1)O[13CH3] 34a_200020638413_200025704644 [0,2,0,0,0,0|2,0,0]=4 3548 B12R1.435 COC(=O)c1cc(ccn1)SC 62a_100000693414_200000210301 [0,2,0,0,0,0|2,0,0]=4 3549 B12R1.435 COC(=O)c1cc(ccn1)SC 62a_200000210301_100000693414 [0,2,0,0,0,0|2,0,0]=4 3550 B12R1.435 COC(=O)c1cc(ccn1)S[13CH3] 62a_100000693414_200025704644 [0,2,0,0,0,0|2,0,0]=4 3551 B12R1.435 COC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000693414 [0,2,0,0,0,0|2,0,0]=4 3552 B12R1.435 COC(=O)c1cccc(c1)OC 34a_100000150331_200000210301 [0,2,0,0,0,0|1,0,0]=3 3553 B12R1.435 COC(=O)c1cccc(c1)OC 7a_100000150331_200000210301 [0,2,0,0,0,0|1,0,0]=3 3554 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 34a_100000150331_200025704644 [0,2,0,0,0,0|1,0,0]=3 3555 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 7a_100000150331_200025704644 [0,2,0,0,0,0|1,0,0]=3 3556 B12R1.435 COC(=O)c1cccc(c1)SC 62a_100000148848_200000210301 [0,2,0,0,0,0|1,0,0]=3 3557 B12R1.435 COC(=O)c1cccc(c1)SC 62a_200000210301_100000148848 [0,2,0,0,0,0|1,0,0]=3 3558 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_100000148848_200025704644 [0,2,0,0,0,0|1,0,0]=3 3559 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000148848 [0,2,0,0,0,0|1,0,0]=3 3560 B12R1.435 COC(=O)c1cccc(n1)SC 62a_100000708286_200000210301 [0,2,0,0,0,0|2,0,0]=4 3561 B12R1.435 COC(=O)c1cccc(n1)SC 62a_200000210301_100000708286 [0,2,0,0,0,0|2,0,0]=4 3562 B12R1.435 COC(=O)c1cccc(n1)S[13CH3] 62a_100000708286_200025704644 [0,2,0,0,0,0|2,0,0]=4 3563 B12R1.435 COC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100000708286 [0,2,0,0,0,0|2,0,0]=4 3564 B12R1.435 COC(=O)c1ccnc(c1)OC 34a_100138552365_200000210301 [0,2,0,0,0,0|2,0,0]=4 3565 B12R1.435 COC(=O)c1ccnc(c1)O[13CH3] 34a_100138552365_200025704644 [0,2,0,0,0,0|2,0,0]=4 3566 B12R1.435 COC(=O)c1ccnc(c1)SC 62a_100011934382_200000210301 [0,2,0,0,0,0|2,0,0]=4 3567 B12R1.435 COC(=O)c1ccnc(c1)SC 62a_200000210301_100011934382 [0,2,0,0,0,0|2,0,0]=4 3568 B12R1.435 COC(=O)c1ccnc(c1)S[13CH3] 62a_100011934382_200025704644 [0,2,0,0,0,0|2,0,0]=4 3569 B12R1.435 COC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100011934382 [0,2,0,0,0,0|2,0,0]=4 3570 B12R1.435 COC(=O)c1cncc(c1)OC 34a_100000687108_200000210301 [0,2,0,0,0,0|0,0,0]=2 3571 B12R1.435 COC(=O)c1cncc(c1)OC 7a_100000687108_200000210301 [0,2,0,0,0,0|0,0,0]=2 3572 B12R1.435 COC(=O)c1cncc(c1)O[13CH3] 34a_100000687108_200025704644 [0,2,0,0,0,0|0,0,0]=2 3573 B12R1.435 COC(=O)c1cncc(c1)O[13CH3] 7a_100000687108_200025704644 [0,2,0,0,0,0|0,0,0]=2 3574 B12R1.435 COC(=O)c1cncc(c1)SC 62a_100000148912_200000210301 [0,2,0,0,0,0|0,0,0]=2 3575 B12R1.435 COC(=O)c1cncc(c1)SC 62a_200000210301_100000148912 [0,2,0,0,0,0|0,0,0]=2 3576 B12R1.435 COC(=O)c1cncc(c1)S[13CH3] 62a_100000148912_200025704644 [0,2,0,0,0,0|0,0,0]=2 3577 B12R1.435 COC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100000148912 [0,2,0,0,0,0|0,0,0]=2 3578 B12R1.435 COC(=O)c1cncc(n1)SC 62a_100000765340_200000210301 [0,2,0,0,0,0|1,0,0]=3 3579 B12R1.435 COC(=O)c1cncc(n1)SC 62a_200000210301_100000765340 [0,2,0,0,0,0|1,0,0]=3 3580 B12R1.435 COC(=O)c1cncc(n1)S[13CH3] 62a_100000765340_200025704644 [0,2,0,0,0,0|1,0,0]=3 3581 B12R1.435 COC(=O)c1cncc(n1)S[13CH3] 62a_200025704644_100000765340 [0,2,0,0,0,0|1,0,0]=3 3582 B12R1.435 COC(=O)c1cnnc(c1)SC 62a_100009862058_200000210301 [0,2,0,0,0,0|1,0,0]=3 3583 B12R1.435 COC(=O)c1cnnc(c1)SC 62a_200000210301_100009862058 [0,2,0,0,0,0|1,0,0]=3 3584 B12R1.435 COC(=O)c1cnnc(c1)S[13CH3] 62a_100009862058_200025704644 [0,2,0,0,0,0|1,0,0]=3 3585 B12R1.435 COC(=O)c1cnnc(c1)S[13CH3] 62a_200025704644_100009862058 [0,2,0,0,0,0|1,0,0]=3 3586 B12R1.435 CSc1cncc(c1)C(=O)NN 62a_100000189809_200000210301 [0,2,0,0,0,0|2,0,0]=4 3587 B12R1.435 CSc1cncc(c1)C(=O)NN 62a_200000210301_100000189809 [0,2,0,0,0,0|2,0,0]=4 3588 B12R1.435 [13CH3]Sc1cncc(c1)C(=O)NN 62a_100000189809_200025704644 [0,2,0,0,0,0|2,0,0]=4 3589 B12R1.435 [13CH3]Sc1cncc(c1)C(=O)NN 62a_200025704644_100000189809 [0,2,0,0,0,0|2,0,0]=4 3590 B12R1.124 CC(=C(C)c1cccnc1Br)C 271570a_200000049429_100010202626 [0,2,0,0,0,0|2,0,0]=4 3591 B12R1.124 CC(=C(C)c1cccnc1C)C 271570a_200000049429_100000751574 [0,2,0,0,0,0|2,0,0]=4 3592 B12R1.124 CC(=C(C)c1cccnc1Cl)C 271570a_200000049429_100000036424 [0,2,0,0,0,0|2,0,0]=4 3593 B12R1.124 CC(=C(C)c1cccnc1F)C 271570a_200000049429_100009816115 [0,2,0,0,0,0|2,0,0]=4 3594 B12R1.124 CC(=C(C)c1cccnc1N)C 271570a_200000049429_100000045569 [0,2,0,0,0,0|2,0,0]=4 3595 B12R1.124 CC(=C(C)c1cnccc1Br)C 271570a_200000049429_100010138639 [0,2,0,0,0,0|2,0,0]=4 3596 B12R1.124 CC(=C(C)c1cnccc1C)C 271570a_200000049429_100000761580 [0,2,0,0,0,0|2,0,0]=4 3597 B12R1.124 CC(=C(C)c1cnccc1Cl)C 271570a_200000049429_100009995489 [0,2,0,0,0,0|2,0,0]=4 3598 B12R1.124 CC(=C(C)c1cnccc1F)C 271570a_200000049429_100009820683 [0,2,0,0,0,0|2,0,0]=4 3599 B12R1.124 CC(=C(C)c1cnccc1N)C 271570a_200000049429_100000047001 [0,2,0,0,0,0|2,0,0]=4 3600 B12R1.124 CC(C)C(=O)c1ccccc1Br 1458a_100000188424_100000210206 [0,2,0,0,0,0|2,0,0]=4 3601 B12R1.124 CC(C)C(=O)c1ccccc1Cl 1458a_100000185844_100000210206 [0,2,0,0,0,0|2,0,0]=4 3602 B12R1.124 CC(C)C(=O)c1ccccc1F 1458a_100000188656_100000210206 [0,2,0,0,0,0|2,0,0]=4 3603 B12R1.124 CC(C)C(=O)c1ccccc1I 1458a_100000187884_100000210206 [0,2,0,0,0,0|2,0,0]=4 3604 B12R1.124 CC(C)C(=O)c1ccccc1O 1458a_100015234032_100000210206 [0,2,0,0,0,0|2,0,0]=4 3605 B12R1.124 CC(C)C(=O)c1ccccc1[O-] 1458a_100009911694_100000210206 [0,2,0,0,0,0|2,0,0]=4 3606 B12R1.124 CN(C)C(=O)c1ccccc1Br 11a_100102631434_100000188424 [0,2,0,0,0,0|2,0,0]=4 3607 B12R1.124 CN(C)C(=O)c1ccccc1Br 1626a_100102631434_100000188424 [0,2,0,0,0,0|2,0,0]=4 3608 B12R1.124 CN(C)C(=O)c1ccccc1Br 240690a_100102631434_100000188424 [0,2,0,0,0,0|2,0,0]=4 3609 B12R1.124 CN(C)C(=O)c1ccccc1Br 527a_100102631434_100000188424 [0,2,0,0,0,0|2,0,0]=4 3610 B12R1.124 CN(C)C(=O)c1ccccc1Cl 11a_100102631434_100000185844 [0,2,0,0,0,0|2,0,0]=4 3611 B12R1.124 CN(C)C(=O)c1ccccc1Cl 1626a_100102631434_100000185844 [0,2,0,0,0,0|2,0,0]=4 3612 B12R1.124 CN(C)C(=O)c1ccccc1Cl 240690a_100102631434_100000185844 [0,2,0,0,0,0|2,0,0]=4 3613 B12R1.124 CN(C)C(=O)c1ccccc1Cl 527a_100102631434_100000185844 [0,2,0,0,0,0|2,0,0]=4 3614 B12R1.124 CN(C)C(=O)c1ccccc1F 11a_100102631434_100000188656 [0,2,0,0,0,0|2,0,0]=4 3615 B12R1.124 CN(C)C(=O)c1ccccc1F 1626a_100102631434_100000188656 [0,2,0,0,0,0|2,0,0]=4 3616 B12R1.124 CN(C)C(=O)c1ccccc1F 240690a_100102631434_100000188656 [0,2,0,0,0,0|2,0,0]=4 3617 B12R1.124 CN(C)C(=O)c1ccccc1F 527a_100102631434_100000188656 [0,2,0,0,0,0|2,0,0]=4 3618 B12R1.124 CN(C)C(=O)c1ccccc1I 11a_100102631434_100000187884 [0,2,0,0,0,0|2,0,0]=4 3619 B12R1.124 CN(C)C(=O)c1ccccc1I 1626a_100102631434_100000187884 [0,2,0,0,0,0|2,0,0]=4 3620 B12R1.124 CN(C)C(=O)c1ccccc1I 240690a_100102631434_100000187884 [0,2,0,0,0,0|2,0,0]=4 3621 B12R1.124 CN(C)C(=O)c1ccccc1I 527a_100102631434_100000187884 [0,2,0,0,0,0|2,0,0]=4 3622 B12R1.124 CN(C)C(=O)c1ccccc1O 240690a_100102631434_100015234032 [0,2,0,0,0,0|2,0,0]=4 3623 B12R1.124 CN(C)C(=O)c1ccccc1O 271570a_203496583355_100000159526 [0,2,0,0,0,0|2,0,0]=4 3624 B12R1.124 CN(C)C(=O)c1ccccc1[O-] 1626a_100102631434_100009911694 [0,2,0,0,0,0|2,0,0]=4 3625 B12R1.124 CN(C)C(=O)c1ccccc1[O-] 240690a_100102631434_100009911694 [0,2,0,0,0,0|2,0,0]=4 3626 B12R1.124 CN(C)C(=O)c1ccccc1[O-] 527a_100102631434_100009911694 [0,2,0,0,0,0|2,0,0]=4 3627 B12R1.124 CN(C)C(=O)c1cccnc1O 271570a_203496583355_100000159563 [0,2,0,0,0,0|1,0,0]=3 3628 B12R1.124 Cc1ccccc1C(=O)C(C)C 1458a_100000212026_100000210206 [0,2,0,0,0,0|2,0,0]=4 3629 B12R1.124 Cc1ccccc1C(=O)N(C)C 11a_100102631434_100000212026 [0,2,0,0,0,0|2,0,0]=4 3630 B12R1.124 Cc1ccccc1C(=O)N(C)C 1626a_100102631434_100000212026 [0,2,0,0,0,0|2,0,0]=4 3631 B12R1.124 Cc1ccccc1C(=O)N(C)C 240690a_100102631434_100000212026 [0,2,0,0,0,0|2,0,0]=4 3632 B12R1.124 Cc1ccccc1C(=O)N(C)C 527a_100102631434_100000212026 [0,2,0,0,0,0|2,0,0]=4 3633 B12R1.77 C#Cc1ccccc1C(=O)CC 1458a_100011243808_100000210202 [0,2,0,0,0,0|2,0,0]=4 3634 B12R1.77 C#Cc1ccccc1C(=O)NC 527a_100102657272_100011243808 [0,2,0,0,0,0|2,0,0]=4 3635 B12R1.77 C=Cc1ccccc1C(=O)CC 1458a_100011830265_100000210202 [0,2,0,0,0,0|2,0,0]=4 3636 B12R1.77 C=Cc1ccccc1C(=O)NC 1626a_100102657272_100011830265 [0,2,0,0,0,0|2,0,0]=4 3637 B12R1.77 C=Cc1ccccc1C(=O)NC 271570a_100011290941_100000155073 [0,2,0,0,0,0|2,0,0]=4 3638 B12R1.77 C=Cc1ccccc1C(=O)OC 271570a_100011290941_100000148710 [0,2,0,0,0,0|1,0,0]=3 3639 B12R1.77 C=Cc1cccnc1C(=O)OC 271570a_100011290941_100011935214 [0,2,0,0,0,0|2,0,0]=4 3640 B12R1.77 C=Cc1ccncc1C(=O)OC 271570a_100011290941_100020629055 [0,2,0,0,0,0|0,0,0]=2 3641 B12R1.77 C=Cc1cnccc1C(=O)OC 271570a_100011290941_100010008606 [0,2,0,0,0,0|2,0,0]=4 3642 B12R1.77 C=Cc1ncccc1C(=O)NC 271570a_100011290941_100000159833 [0,2,0,0,0,0|1,0,0]=3 3643 B12R1.77 C=Cc1ncccc1C(=O)OC 271570a_100011290941_100000150852 [0,2,0,0,0,0|0,0,0]=2 3644 B12R1.77 C=Cc1nccnc1C(=O)OC 271570a_100011290941_100000688410 [0,2,0,0,0,0|1,0,0]=3 3645 B12R1.77 C=Cc1ncncc1C(=O)OC 271570a_100011290941_100000726419 [0,2,0,0,0,0|1,0,0]=3 3646 B12R1.77 CCC(=O)c1ccccc1C#N 1458a_100000742908_100000210202 [0,2,0,0,0,0|2,0,0]=4 3647 B12R1.77 CCC(=O)c1ccccc1CC 1458a_100000689120_100000210202 [0,2,0,0,0,0|2,0,0]=4 3648 B12R1.77 CCC(=O)c1ccccc1CO 1458a_100011301526_100000210202 [0,2,0,0,0,0|2,0,0]=4 3649 B12R1.77 CCC(=O)c1ccccc1I=O 1458a_100000032414_100000210202 [0,2,0,0,0,0|2,0,0]=4 3650 B12R1.77 CCC(=O)c1ccccc1OC 1458a_100000185835_100000210202 [0,2,0,0,0,0|2,0,0]=4 3651 B12R1.77 CCC(=O)c1ccccc1OC 7a_100000184720_200000210301 [0,2,0,0,0,0|2,0,0]=4 3652 B12R1.77 CCC(=O)c1ccccc1O[13CH3] 7a_100000184720_200025704644 [0,2,0,0,0,0|2,0,0]=4 3653 B12R1.77 CCC(=O)c1ccccc1SC 1458a_100000183967_100000210202 [0,2,0,0,0,0|2,0,0]=4 3654 B12R1.77 CCc1ccccc1C(=O)NC 11a_106832991635_100000689120 [0,2,0,0,0,0|2,0,0]=4 3655 B12R1.77 CCc1ccccc1C(=O)NC 1626a_100102657272_100000689120 [0,2,0,0,0,0|2,0,0]=4 3656 B12R1.77 CCc1ccccc1C(=O)NC 240690a_100102657272_100000689120 [0,2,0,0,0,0|2,0,0]=4 3657 B12R1.77 CCc1ccccc1C(=O)NC 527a_100102657272_100000689120 [0,2,0,0,0,0|2,0,0]=4 3658 B12R1.77 CNC(=O)c1ccccc1C#N 11a_106832991635_100000742908 [0,2,0,0,0,0|2,0,0]=4 3659 B12R1.77 CNC(=O)c1ccccc1C#N 1626a_100102657272_100000742908 [0,2,0,0,0,0|2,0,0]=4 3660 B12R1.77 CNC(=O)c1ccccc1C#N 527a_100102657272_100000742908 [0,2,0,0,0,0|2,0,0]=4 3661 B12R1.77 CNC(=O)c1ccccc1I=O 1626a_100102657272_100000032414 [0,2,0,0,0,0|2,0,0]=4 3662 B12R1.77 CNC(=O)c1ccccc1I=O 240690a_100102657272_100000032414 [0,2,0,0,0,0|2,0,0]=4 3663 B12R1.77 CNC(=O)c1ccccc1I=O 527a_100102657272_100000032414 [0,2,0,0,0,0|2,0,0]=4 3664 B12R1.77 CNC(=O)c1ccccc1NC 27a_100102657272_100000155073 [0,2,0,0,0,0|2,0,0]=4 3665 B12R1.77 CNC(=O)c1ccccc1NC 34a_100000185696_200000210301 [0,2,0,0,0,0|2,0,0]=4 3666 B12R1.77 CNC(=O)c1ccccc1N[13CH3] 34a_100000185696_200025704644 [0,2,0,0,0,0|2,0,0]=4 3667 B12R1.77 CNC(=O)c1ccccc1OC 11a_106832991635_100000185835 [0,2,0,0,0,0|2,0,0]=4 3668 B12R1.77 CNC(=O)c1ccccc1OC 1626a_100102657272_100000185835 [0,2,0,0,0,0|2,0,0]=4 3669 B12R1.77 CNC(=O)c1ccccc1OC 240690a_100102657272_100000185835 [0,2,0,0,0,0|2,0,0]=4 3670 B12R1.77 CNC(=O)c1ccccc1OC 34a_100000185920_200000210301 [0,2,0,0,0,0|2,0,0]=4 3671 B12R1.77 CNC(=O)c1ccccc1OC 527a_100102657272_100000185835 [0,2,0,0,0,0|2,0,0]=4 3672 B12R1.77 CNC(=O)c1ccccc1OC 7a_100000185920_200000210301 [0,2,0,0,0,0|2,0,0]=4 3673 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 34a_100000185920_200025704644 [0,2,0,0,0,0|2,0,0]=4 3674 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 7a_100000185920_200025704644 [0,2,0,0,0,0|2,0,0]=4 3675 B12R1.77 CNC(=O)c1ccccc1SC 11a_106832991635_100000183967 [0,2,0,0,0,0|2,0,0]=4 3676 B12R1.77 CNC(=O)c1ccccc1SC 1626a_100102657272_100000183967 [0,2,0,0,0,0|2,0,0]=4 3677 B12R1.77 CNC(=O)c1ccccc1SC 240690a_100102657272_100000183967 [0,2,0,0,0,0|2,0,0]=4 3678 B12R1.77 CNC(=O)c1ccccc1SC 527a_100102657272_100000183967 [0,2,0,0,0,0|2,0,0]=4 3679 B12R1.77 CNC(=O)c1ccccc1SC 62a_100000155073_200000210301 [0,2,0,0,0,0|2,0,0]=4 3680 B12R1.77 CNC(=O)c1ccccc1SC 62a_200000210301_100000155073 [0,2,0,0,0,0|2,0,0]=4 3681 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_100000155073_200025704644 [0,2,0,0,0,0|2,0,0]=4 3682 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000155073 [0,2,0,0,0,0|2,0,0]=4 3683 B12R1.77 CNC(=O)c1cccnc1NC 27a_100102657272_100000159833 [0,2,0,0,0,0|1,0,0]=3 3684 B12R1.77 CNC(=O)c1cccnc1SC 62a_100000159833_200000210301 [0,2,0,0,0,0|1,0,0]=3 3685 B12R1.77 CNC(=O)c1cccnc1SC 62a_200000210301_100000159833 [0,2,0,0,0,0|1,0,0]=3 3686 B12R1.77 CNC(=O)c1cccnc1S[13CH3] 62a_100000159833_200025704644 [0,2,0,0,0,0|1,0,0]=3 3687 B12R1.77 CNC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000159833 [0,2,0,0,0,0|1,0,0]=3 3688 B12R1.77 CNc1ncccc1C(=O)OC 27a_100102657272_100000150852 [0,2,0,0,0,0|0,0,0]=2 3689 B12R1.77 CNc1nccnc1C(=O)OC 27a_100102657272_100000079898 [0,2,0,0,0,0|1,0,0]=3 3690 B12R1.77 CNc1ncncc1C(=O)OC 27a_100102657272_100000726419 [0,2,0,0,0,0|1,0,0]=3 3691 B12R1.77 COC(=O)c1ccccc1OC 7a_100000150335_200000210301 [0,2,0,0,0,0|1,0,0]=3 3692 B12R1.77 COC(=O)c1ccccc1O[13CH3] 7a_100000150335_200025704644 [0,2,0,0,0,0|1,0,0]=3 3693 B12R1.77 COC(=O)c1ccccc1SC 62a_100000148710_200000210301 [0,2,0,0,0,0|1,0,0]=3 3694 B12R1.77 COC(=O)c1ccccc1SC 62a_200000210301_100000148710 [0,2,0,0,0,0|1,0,0]=3 3695 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_100000148710_200025704644 [0,2,0,0,0,0|1,0,0]=3 3696 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000148710 [0,2,0,0,0,0|1,0,0]=3 3697 B12R1.77 COC(=O)c1cccnc1SC 62a_100011587185_200000210301 [0,2,0,0,0,0|0,0,0]=2 3698 B12R1.77 COC(=O)c1cccnc1SC 62a_200000210301_100000150852 [0,2,0,0,0,0|0,0,0]=2 3699 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_100011587185_200025704644 [0,2,0,0,0,0|0,0,0]=2 3700 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000150852 [0,2,0,0,0,0|0,0,0]=2 3701 B12R1.77 COC(=O)c1ccncc1SC 62a_100010008606_200000210301 [0,2,0,0,0,0|2,0,0]=4 3702 B12R1.77 COC(=O)c1ccncc1SC 62a_200000210301_100010008606 [0,2,0,0,0,0|2,0,0]=4 3703 B12R1.77 COC(=O)c1ccncc1S[13CH3] 62a_100010008606_200025704644 [0,2,0,0,0,0|2,0,0]=4 3704 B12R1.77 COC(=O)c1ccncc1S[13CH3] 62a_200025704644_100010008606 [0,2,0,0,0,0|2,0,0]=4 3705 B12R1.77 COC(=O)c1cnccc1SC 62a_100020629055_200000210301 [0,2,0,0,0,0|0,0,0]=2 3706 B12R1.77 COC(=O)c1cnccc1SC 62a_200000210301_100020629055 [0,2,0,0,0,0|0,0,0]=2 3707 B12R1.77 COC(=O)c1cnccc1S[13CH3] 62a_100020629055_200025704644 [0,2,0,0,0,0|0,0,0]=2 3708 B12R1.77 COC(=O)c1cnccc1S[13CH3] 62a_200025704644_100020629055 [0,2,0,0,0,0|0,0,0]=2 3709 B12R1.77 COC(=O)c1cncnc1SC 62a_100000726419_200000210301 [0,2,0,0,0,0|1,0,0]=3 3710 B12R1.77 COC(=O)c1cncnc1SC 62a_200000210301_100000726419 [0,2,0,0,0,0|1,0,0]=3 3711 B12R1.77 COC(=O)c1cncnc1S[13CH3] 62a_100000726419_200025704644 [0,2,0,0,0,0|1,0,0]=3 3712 B12R1.77 COC(=O)c1cncnc1S[13CH3] 62a_200025704644_100000726419 [0,2,0,0,0,0|1,0,0]=3 3713 B12R1.77 COC(=O)c1ncccc1OC 34a_100000744052_200000210301 [0,2,0,0,0,0|2,0,0]=4 3714 B12R1.77 COC(=O)c1ncccc1OC 7a_100000744052_200000210301 [0,2,0,0,0,0|2,0,0]=4 3715 B12R1.77 COC(=O)c1ncccc1O[13CH3] 34a_100000744052_200025704644 [0,2,0,0,0,0|2,0,0]=4 3716 B12R1.77 COC(=O)c1ncccc1O[13CH3] 7a_100000744052_200025704644 [0,2,0,0,0,0|2,0,0]=4 3717 B12R1.77 COC(=O)c1ncccc1SC 62a_100011935214_200000210301 [0,2,0,0,0,0|2,0,0]=4 3718 B12R1.77 COC(=O)c1ncccc1SC 62a_200000210301_100011935214 [0,2,0,0,0,0|2,0,0]=4 3719 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_100011935214_200025704644 [0,2,0,0,0,0|2,0,0]=4 3720 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_200025704644_100011935214 [0,2,0,0,0,0|2,0,0]=4 3721 B12R1.77 COC(=O)c1nccnc1SC 62a_100000688410_200000210301 [0,2,0,0,0,0|1,0,0]=3 3722 B12R1.77 COC(=O)c1nccnc1SC 62a_200000210301_100000079898 [0,2,0,0,0,0|1,0,0]=3 3723 B12R1.77 COC(=O)c1nccnc1S[13CH3] 62a_100000688410_200025704644 [0,2,0,0,0,0|1,0,0]=3 3724 B12R1.77 COC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000079898 [0,2,0,0,0,0|1,0,0]=3 3725 B12R1.77 CSc1ccccc1C(=O)O[Na] 62a_200000210301_114855342371 [0,2,0,0,0,0|2,0,0]=4 3726 B12R1.77 [13CH3]Sc1ccccc1C(=O)O[Na] 62a_200025704644_114855342371 [0,2,0,0,0,0|2,0,0]=4 3727 B12R1.3441 CCC(=O)c1c(cccc1Br)Br 1458a_100000690891_100000210202 [0,2,0,0,0,0|2,0,0]=4 3728 B12R1.3441 CCC(=O)c1c(cccc1Br)C 1458a_100000701904_100000210202 [0,2,0,0,0,0|2,0,0]=4 3729 B12R1.3441 CCC(=O)c1c(cccc1Br)Cl 1458a_100011253703_100000210202 [0,2,0,0,0,0|2,0,0]=4 3730 B12R1.3441 CCC(=O)c1c(cccc1Br)F 1458a_100000752694_100000210202 [0,2,0,0,0,0|2,0,0]=4 3731 B12R1.3441 CCC(=O)c1c(cccc1Br)O 1458a_100011935254_100000210202 [0,2,0,0,0,0|2,0,0]=4 3732 B12R1.3441 CCC(=O)c1c(cccc1C)C 1458a_100000758298_100000210202 [0,2,0,0,0,0|2,0,0]=4 3733 B12R1.3441 CCC(=O)c1c(cccc1Cl)C 1458a_100000692601_100000210202 [0,2,0,0,0,0|2,0,0]=4 3734 B12R1.3441 CCC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_100000210202 [0,2,0,0,0,0|2,0,0]=4 3735 B12R1.3441 CCC(=O)c1c(cccc1Cl)F 1458a_100000210369_100000210202 [0,2,0,0,0,0|2,0,0]=4 3736 B12R1.3441 CCC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000210202 [0,2,0,0,0,0|2,0,0]=4 3737 B12R1.3441 CCC(=O)c1c(cccc1F)C 1458a_100000762013_100000210202 [0,2,0,0,0,0|2,0,0]=4 3738 B12R1.3441 CCC(=O)c1c(cccc1F)F 1458a_100000210804_100000210202 [0,2,0,0,0,0|2,0,0]=4 3739 B12R1.3441 CCC(=O)c1c(cccc1F)O 1458a_100000763259_100000210202 [0,2,0,0,0,0|2,0,0]=4 3740 B12R1.3441 CCC(=O)c1c(cccc1I)Br 1458a_100010232521_100000210202 [0,2,0,0,0,0|2,0,0]=4 3741 B12R1.3441 CCC(=O)c1c(cccc1I)C 1458a_100000688020_100000210202 [0,2,0,0,0,0|2,0,0]=4 3742 B12R1.3441 CCC(=O)c1c(cccc1I)Cl 1458a_100000702859_100000210202 [0,2,0,0,0,0|2,0,0]=4 3743 B12R1.3441 CCC(=O)c1c(cccc1I)F 1458a_100000023732_100000210202 [0,2,0,0,0,0|2,0,0]=4 3744 B12R1.3441 CCC(=O)c1c(cccc1O)C 1458a_100011934116_100000210202 [0,2,0,0,0,0|2,0,0]=4 3745 B12R1.3441 CCC(=O)c1c(cccc1O)O 1458a_100000755285_100000210202 [0,2,0,0,0,0|2,0,0]=4 3746 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 11a_106832991635_100000690891 [0,2,0,0,0,0|2,0,0]=4 3747 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 1626a_100102657272_100000690891 [0,2,0,0,0,0|2,0,0]=4 3748 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 240690a_100102657272_100000690891 [0,2,0,0,0,0|2,0,0]=4 3749 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 527a_100102657272_100000690891 [0,2,0,0,0,0|2,0,0]=4 3750 B12R1.3441 CNC(=O)c1c(cccc1Br)C 11a_106832991635_100000701904 [0,2,0,0,0,0|2,0,0]=4 3751 B12R1.3441 CNC(=O)c1c(cccc1Br)C 1626a_100102657272_100000701904 [0,2,0,0,0,0|2,0,0]=4 3752 B12R1.3441 CNC(=O)c1c(cccc1Br)C 240690a_100102657272_100000701904 [0,2,0,0,0,0|2,0,0]=4 3753 B12R1.3441 CNC(=O)c1c(cccc1Br)C 527a_100102657272_100000701904 [0,2,0,0,0,0|2,0,0]=4 3754 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 11a_106832991635_100011253703 [0,2,0,0,0,0|2,0,0]=4 3755 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 1626a_100102657272_100011253703 [0,2,0,0,0,0|2,0,0]=4 3756 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 240690a_100102657272_100011253703 [0,2,0,0,0,0|2,0,0]=4 3757 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 527a_100102657272_100011253703 [0,2,0,0,0,0|2,0,0]=4 3758 B12R1.3441 CNC(=O)c1c(cccc1Br)F 11a_106832991635_100000752694 [0,2,0,0,0,0|2,0,0]=4 3759 B12R1.3441 CNC(=O)c1c(cccc1Br)F 1626a_100102657272_100000752694 [0,2,0,0,0,0|2,0,0]=4 3760 B12R1.3441 CNC(=O)c1c(cccc1Br)F 240690a_100102657272_100000752694 [0,2,0,0,0,0|2,0,0]=4 3761 B12R1.3441 CNC(=O)c1c(cccc1Br)F 527a_100102657272_100000752694 [0,2,0,0,0,0|2,0,0]=4 3762 B12R1.3441 CNC(=O)c1c(cccc1Br)O 240690a_100102657272_100011935254 [0,2,0,0,0,0|2,0,0]=4 3763 B12R1.3441 CNC(=O)c1c(cccc1Br)O 527a_100102657272_100011935254 [0,2,0,0,0,0|2,0,0]=4 3764 B12R1.3441 CNC(=O)c1c(cccc1C)C 11a_106832991635_100000758298 [0,2,0,0,0,0|2,0,0]=4 3765 B12R1.3441 CNC(=O)c1c(cccc1C)C 1626a_100102657272_100000758298 [0,2,0,0,0,0|2,0,0]=4 3766 B12R1.3441 CNC(=O)c1c(cccc1C)C 240690a_100102657272_100000758298 [0,2,0,0,0,0|2,0,0]=4 3767 B12R1.3441 CNC(=O)c1c(cccc1Cl)C 11a_106832991635_100000692601 [0,2,0,0,0,0|2,0,0]=4 3768 B12R1.3441 CNC(=O)c1c(cccc1Cl)C 1626a_100102657272_100000692601 [0,2,0,0,0,0|2,0,0]=4 3769 B12R1.3441 CNC(=O)c1c(cccc1Cl)C 240690a_100102657272_100000692601 [0,2,0,0,0,0|2,0,0]=4 3770 B12R1.3441 CNC(=O)c1c(cccc1Cl)Cl 11a_106832991635_100000210656 [0,2,0,0,0,0|2,0,0]=4 3771 B12R1.3441 CNC(=O)c1c(cccc1Cl)Cl 1626a_100102657272_100000210656 [0,2,0,0,0,0|2,0,0]=4 3772 B12R1.3441 CNC(=O)c1c(cccc1Cl)Cl 240690a_100102657272_100000210656 [0,2,0,0,0,0|2,0,0]=4 3773 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 11a_106832991635_100000210369 [0,2,0,0,0,0|2,0,0]=4 3774 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 1626a_100102657272_100000210369 [0,2,0,0,0,0|2,0,0]=4 3775 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 240690a_100102657272_100000210369 [0,2,0,0,0,0|2,0,0]=4 3776 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 527a_100102657272_100000210369 [0,2,0,0,0,0|2,0,0]=4 3777 B12R1.3441 CNC(=O)c1c(cccc1Cl)O 240690a_100102657272_100000745519 [0,2,0,0,0,0|2,0,0]=4 3778 B12R1.3441 CNC(=O)c1c(cccc1Cl)O 527a_100102657272_100000745519 [0,2,0,0,0,0|2,0,0]=4 3779 B12R1.3441 CNC(=O)c1c(cccc1F)C 11a_106832991635_100000762013 [0,2,0,0,0,0|2,0,0]=4 3780 B12R1.3441 CNC(=O)c1c(cccc1F)C 1626a_100102657272_100000762013 [0,2,0,0,0,0|2,0,0]=4 3781 B12R1.3441 CNC(=O)c1c(cccc1F)C 240690a_100102657272_100000762013 [0,2,0,0,0,0|2,0,0]=4 3782 B12R1.3441 CNC(=O)c1c(cccc1F)C 527a_100102657272_100000762013 [0,2,0,0,0,0|2,0,0]=4 3783 B12R1.3441 CNC(=O)c1c(cccc1F)F 11a_106832991635_100000210804 [0,2,0,0,0,0|2,0,0]=4 3784 B12R1.3441 CNC(=O)c1c(cccc1F)F 1626a_100102657272_100000210804 [0,2,0,0,0,0|2,0,0]=4 3785 B12R1.3441 CNC(=O)c1c(cccc1F)F 240690a_100102657272_100000210804 [0,2,0,0,0,0|2,0,0]=4 3786 B12R1.3441 CNC(=O)c1c(cccc1F)F 527a_100102657272_100000210804 [0,2,0,0,0,0|2,0,0]=4 3787 B12R1.3441 CNC(=O)c1c(cccc1F)O 271570a_203496583355_100012642803 [0,2,0,0,0,0|2,0,0]=4 3788 B12R1.3441 CNC(=O)c1c(cccc1F)O 527a_100102657272_100000763259 [0,2,0,0,0,0|2,0,0]=4 3789 B12R1.3441 CNC(=O)c1c(cccc1I)Br 11a_106832991635_100010232521 [0,2,0,0,0,0|2,0,0]=4 3790 B12R1.3441 CNC(=O)c1c(cccc1I)Br 1626a_100102657272_100010232521 [0,2,0,0,0,0|2,0,0]=4 3791 B12R1.3441 CNC(=O)c1c(cccc1I)Br 240690a_100102657272_100010232521 [0,2,0,0,0,0|2,0,0]=4 3792 B12R1.3441 CNC(=O)c1c(cccc1I)Br 527a_100102657272_100010232521 [0,2,0,0,0,0|2,0,0]=4 3793 B12R1.3441 CNC(=O)c1c(cccc1I)C 11a_106832991635_100000688020 [0,2,0,0,0,0|2,0,0]=4 3794 B12R1.3441 CNC(=O)c1c(cccc1I)C 1626a_100102657272_100000688020 [0,2,0,0,0,0|2,0,0]=4 3795 B12R1.3441 CNC(=O)c1c(cccc1I)C 240690a_100102657272_100000688020 [0,2,0,0,0,0|2,0,0]=4 3796 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 11a_106832991635_100000702859 [0,2,0,0,0,0|2,0,0]=4 3797 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 1626a_100102657272_100000702859 [0,2,0,0,0,0|2,0,0]=4 3798 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 240690a_100102657272_100000702859 [0,2,0,0,0,0|2,0,0]=4 3799 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 527a_100102657272_100000702859 [0,2,0,0,0,0|2,0,0]=4 3800 B12R1.3441 CNC(=O)c1c(cccc1I)F 11a_106832991635_100000023732 [0,2,0,0,0,0|2,0,0]=4 3801 B12R1.3441 CNC(=O)c1c(cccc1I)F 1626a_100102657272_100000023732 [0,2,0,0,0,0|2,0,0]=4 3802 B12R1.3441 CNC(=O)c1c(cccc1I)F 240690a_100102657272_100000023732 [0,2,0,0,0,0|2,0,0]=4 3803 B12R1.3441 CNC(=O)c1c(cccc1O)O 527a_100102657272_100000755285 [0,2,0,0,0,0|2,0,0]=4 3804 B12R1.3441 COC(=O)c1c(cccc1Br)O 271570a_203496583355_100010247157 [0,2,0,0,0,0|1,0,0]=3 3805 B12R1.3441 COC(=O)c1c(cccc1Cl)O 271570a_203496583355_100010150959 [0,2,0,0,0,0|1,0,0]=3 3806 B12R1.3441 COC(=O)c1c(cccc1F)O 271570a_203496583355_100000150693 [0,2,0,0,0,0|1,0,0]=3 3807 B12R1.3441 COC(=O)c1c(cccc1O)C 271570a_203496583355_100010204206 [0,2,0,0,0,0|1,0,0]=3 3808 B12R1.3441 COC(=O)c1c(cccc1O)N 271570a_203496583355_100010253892 [0,2,0,0,0,0|1,0,0]=3 3809 B12R1.3441 COC(=O)c1c(ccnc1Cl)O 271570a_203496583355_100010138530 [0,2,0,0,0,0|0,0,0]=2 3810 B12R1.3441 COC(=O)c1c(ccnc1F)O 271570a_203496583355_100010150474 [0,2,0,0,0,0|0,0,0]=2 3811 B12R1.3441 COC(=O)c1c(ccnc1O)F 271570a_203496583355_100015560809 [0,2,0,0,0,0|0,0,0]=2 3812 B12R1.3441 COC(=O)c1c(ccnc1O)N 271570a_203496583355_100009985557 [0,2,0,0,0,0|0,0,0]=2 3813 B12R1.3441 COC(=O)c1c(cncc1F)O 271570a_203496583355_100010189632 [0,2,0,0,0,0|2,0,0]=4 3814 B12R1.3441 COC(=O)c1c(ncnc1O)N 271570a_203496583355_200021259019 [0,2,0,0,0,0|1,0,0]=3 3815 B10R1.2 C=Cc1cccn(c1=O)C 271570a_100011290941_100000687173 [0,0,1,1,0,0|2,0,0]=4 3816 B10R1.2 C=Cc1cncc(c1C)C 271570a_100011290941_100009864703 [0,0,1,1,0,0|2,0,0]=4 3817 B10R1.2 C=Cc1cncc(c1N)C 271570a_100011290941_100009818025 [0,0,1,1,0,0|2,0,0]=4 3818 B10R1.20 C=Cc1ccccc1OC 271570a_100011290941_100000174000 [0,0,1,1,0,0|2,0,0]=4 3819 B10R1.20 C=Cc1cccnc1OC 271570a_100011290941_100000047025 [0,0,1,1,0,0|2,0,0]=4 3820 B10R1.20 C=Cc1cnccc1CC 271570a_100011290941_100009819861 [0,0,1,1,0,0|2,0,0]=4 3821 B10R1.20 C=Cc1cnccc1NC 271570a_100011290941_100010069531 [0,0,1,1,0,0|2,0,0]=4 3822 B10R1.20 C=Cc1cnccc1OC 271570a_100011290941_100011997281 [0,0,1,1,0,0|1,0,0]=3 3823 B10R1.20 C=Cc1cncnc1CC 271570a_100011290941_100009816992 [0,0,1,1,0,0|2,0,0]=4 3824 B10R1.20 C=Cc1cncnc1NC 271570a_100011290941_200012180720 [0,0,1,1,0,0|2,0,0]=4 3825 B10R1.20 C=Cc1cncnc1OC 271570a_100011290941_100000719902 [0,0,1,1,0,0|1,0,0]=3 3826 B10R1.172 C=Cc1cc(ccn1)CC 271570a_100011290941_100009817561 [0,0,1,1,0,0|2,0,0]=4 3827 B10R1.172 C=Cc1cc(ccn1)NC 271570a_100011290941_100009869472 [0,0,1,1,0,0|2,0,0]=4 3828 B10R1.172 C=Cc1cc(ccn1)OC 271570a_100011290941_100011216251 [0,0,1,1,0,0|1,0,0]=3 3829 B10R1.172 C=Cc1cc(ccn1)SC 271570a_100011290941_100010883326 [0,0,1,1,0,0|1,1,0]=4 3830 B10R1.172 C=Cc1cc(ccn1)SC 62a_100009845566_200000210301 [0,0,1,1,0,0|1,1,0]=4 3831 B10R1.172 C=Cc1cc(ccn1)SC 62a_200000210301_100009845566 [0,0,1,1,0,0|1,1,0]=4 3832 B10R1.172 C=Cc1cc(ccn1)S[13CH3] 62a_100009845566_200025704644 [0,0,1,1,0,0|1,1,0]=4 3833 B10R1.172 C=Cc1cc(ccn1)S[13CH3] 62a_200025704644_100009845566 [0,0,1,1,0,0|1,1,0]=4 3834 B10R1.172 C=Cc1cc(cnn1)OC 271570a_100011290941_100000087634 [0,0,1,1,0,0|2,0,0]=4 3835 B10R1.172 C=Cc1cc(ncn1)OC 271570a_100011290941_100012187182 [0,0,1,1,0,0|2,0,0]=4 3836 B10R1.172 C=Cc1cccc(c1)OC 271570a_100011290941_100000170001 [0,0,1,1,0,0|2,0,0]=4 3837 B10R1.172 C=Cc1cccc(c1)OC 34a_100011309434_200000210301 [0,0,1,1,0,0|2,0,0]=4 3838 B10R1.172 C=Cc1cccc(c1)OC 7a_100011309434_200000210301 [0,0,1,1,0,0|2,0,0]=4 3839 B10R1.172 C=Cc1cccc(c1)O[13CH3] 34a_100011309434_200025704644 [0,0,1,1,0,0|2,0,0]=4 3840 B10R1.172 C=Cc1cccc(c1)O[13CH3] 7a_100011309434_200025704644 [0,0,1,1,0,0|2,0,0]=4 3841 B10R1.172 C=Cc1cccc(n1)OC 271570a_100011290941_100000760917 [0,0,1,1,0,0|2,0,0]=4 3842 B10R1.172 C=Cc1nccc(n1)CC 271570a_100011290941_100000100215 [0,0,1,1,0,0|2,0,0]=4 3843 B10R1.172 C=Cc1nccc(n1)NC 271570a_100011290941_100011649947 [0,0,1,1,0,0|2,0,0]=4 3844 B10R1.172 C=Cc1nccc(n1)OC 271570a_100011290941_100000182009 [0,0,1,1,0,0|1,0,0]=3 3845 B10R1.172 C=Cc1nccc(n1)SC 271570a_100011290941_100011650323 [0,0,1,1,0,0|1,1,0]=4 3846 B10R1.172 C=Cc1ncnc(n1)OC 271570a_100011290941_200010750123 [0,0,1,1,0,0|2,0,0]=4 3847 B10R2.6 c1cncc(c1)C2CC2 271570a_100011220607_100000752921 [1,0,0,1,0,0|1,0,1]=4 3848 B12R2.32 CNc1nc2cccnc2s1 27a_100102657272_100010188088 [0,0,0,1,0,1|1,1,0]=4 3849 B12R2.32 CSc1cc2cccnc2[nH]1 62a_200000210301_100010079843 [0,0,0,1,0,1|1,1,0]=4 3850 B12R2.32 CSc1nc2cccnc2s1 62a_100010188088_200000210301 [0,0,0,1,0,1|0,2,0]=4 3851 B12R2.32 CSc1nc2cccnc2s1 62a_200000210301_100010188088 [0,0,0,1,0,1|0,2,0]=4 3852 B12R2.32 [13CH3]Sc1cc2cccnc2[nH]1 62a_200025704644_100010079843 [0,0,0,1,0,1|1,1,0]=4 3853 B12R2.32 [13CH3]Sc1nc2cccnc2s1 62a_100010188088_200025704644 [0,0,0,1,0,1|0,2,0]=4 3854 B12R2.32 [13CH3]Sc1nc2cccnc2s1 62a_200025704644_100010188088 [0,0,0,1,0,1|0,2,0]=4 3855 B12R2.1 CNc1n[nH]c2c1cccn2 27a_100102657272_100009818534 [0,1,0,1,0,0|2,0,0]=4 3856 B12R2.1 CNc1n[nH]c2c1cncc2 27a_100102657272_100009820117 [0,1,0,1,0,0|2,0,0]=4 3857 B12R2.1 COc1csc2c1cccc2 34a_100000077758_200000210301 [0,1,0,1,0,0|1,1,0]=4 3858 B12R2.1 COc1csc2c1cccc2 7a_100000077758_200000210301 [0,1,0,1,0,0|1,1,0]=4 3859 B12R2.1 CSc1c[nH]c2c1cccn2 62a_200000210301_100011934613 [0,1,0,1,0,0|1,1,0]=4 3860 B12R2.1 CSc1c[nH]c2c1cncc2 62a_200000210301_100000753697 [0,1,0,1,0,0|1,1,0]=4 3861 B12R2.1 CSc1csc2c1cccn2 62a_100009830249_200000210301 [0,1,0,1,0,0|0,2,0]=4 3862 B12R2.1 CSc1csc2c1cccn2 62a_200000210301_100009830249 [0,1,0,1,0,0|0,2,0]=4 3863 B12R2.1 CSc1csc2c1cncc2 62a_100010247091_200000210301 [0,1,0,1,0,0|0,2,0]=4 3864 B12R2.1 CSc1csc2c1cncc2 62a_200000210301_100010247091 [0,1,0,1,0,0|0,2,0]=4 3865 B12R2.1 CSc1n[nH]c2c1cccn2 62a_200000210301_100009888962 [0,1,0,1,0,0|1,1,0]=4 3866 B12R2.1 CSc1n[nH]c2c1cncc2 62a_200000210301_100009820117 [0,1,0,1,0,0|1,1,0]=4 3867 B12R2.1 [13CH3]Oc1csc2c1cccc2 34a_100000077758_200025704644 [0,1,0,1,0,0|1,1,0]=4 3868 B12R2.1 [13CH3]Oc1csc2c1cccc2 7a_100000077758_200025704644 [0,1,0,1,0,0|1,1,0]=4 3869 B12R2.1 [13CH3]Sc1c[nH]c2c1cccn2 62a_200025704644_100011934613 [0,1,0,1,0,0|1,1,0]=4 3870 B12R2.1 [13CH3]Sc1c[nH]c2c1cncc2 62a_200025704644_100000753697 [0,1,0,1,0,0|1,1,0]=4 3871 B12R2.1 [13CH3]Sc1csc2c1cccn2 62a_100009830249_200025704644 [0,1,0,1,0,0|0,2,0]=4 3872 B12R2.1 [13CH3]Sc1csc2c1cccn2 62a_200025704644_100009830249 [0,1,0,1,0,0|0,2,0]=4 3873 B12R2.1 [13CH3]Sc1csc2c1cncc2 62a_100010247091_200025704644 [0,1,0,1,0,0|0,2,0]=4 3874 B12R2.1 [13CH3]Sc1csc2c1cncc2 62a_200025704644_100010247091 [0,1,0,1,0,0|0,2,0]=4 3875 B12R2.1 [13CH3]Sc1n[nH]c2c1cccn2 62a_200025704644_100009888962 [0,1,0,1,0,0|1,1,0]=4 3876 B12R2.1 [13CH3]Sc1n[nH]c2c1cncc2 62a_200025704644_100009820117 [0,1,0,1,0,0|1,1,0]=4 3877 B12R2.2 C1=C(CCC1)c2cccnc2 271570a_100000089523_100000752921 [0,1,0,1,0,0|2,0,0]=4 3878 B12R2.2 C1=C(CCO1)c2ccccc2 271570a_100000118173_100000210277 [0,1,0,1,0,0|2,0,0]=4 3879 B12R2.2 C1=C(CCO1)c2cccnc2 271570a_100000118173_100000752921 [0,1,0,1,0,0|1,0,0]=3 3880 B12R2.2 C1=C(CCO1)c2cccnn2 271570a_100000118173_100016991348 [0,1,0,1,0,0|2,0,0]=4 3881 B12R2.2 C1=C(CCO1)c2ccnnc2 271570a_100000118173_100000732662 [0,1,0,1,0,0|2,0,0]=4 3882 B12R2.2 C1=C(CCO1)c2cnccn2 271570a_100000118173_100000758340 [0,1,0,1,0,0|2,0,0]=4 3883 B12R2.2 C1=C(CCO1)c2cncnc2 271570a_100000118173_100011206942 [0,1,0,1,0,0|2,0,0]=4 3884 B12R2.2 C1=C(COC1)c2ccccc2 271570a_100009872500_100000210277 [0,1,0,1,0,0|2,0,0]=4 3885 B12R2.2 C1=C(COC1)c2cccnc2 271570a_100009872500_100000752921 [0,1,0,1,0,0|1,0,0]=3 3886 B12R2.2 C1=C(COC1)c2cccnn2 271570a_100009872500_100016991348 [0,1,0,1,0,0|2,0,0]=4 3887 B12R2.2 C1=C(COC1)c2ccnnc2 271570a_100009872500_100000732662 [0,1,0,1,0,0|2,0,0]=4 3888 B12R2.2 C1=C(COC1)c2cnccn2 271570a_100009872500_100000758340 [0,1,0,1,0,0|2,0,0]=4 3889 B12R2.2 C1=C(COC1)c2cncnc2 271570a_100009872500_100011206942 [0,1,0,1,0,0|2,0,0]=4 3890 B12R2.2 c1cncc(c1)c2ccco2 271570a_100000750936_100000752921 [0,1,0,1,0,0|1,0,1]=4 3891 B12R2.2 c1cncc(c1)c2ccco2 271570a_100000757648_100009814098 [0,1,0,1,0,0|1,0,1]=4 3892 B12R2.2 c1cncc(c1)c2ccoc2 271570a_100000757648_100011215275 [0,1,0,1,0,0|1,0,1]=4 3893 B12R2.2 c1cncc(c1)c2ccoc2 271570a_100011218838_100000752921 [0,1,0,1,0,0|1,0,1]=4 3894 B12R2.2 c1cncc(c1)c2cnco2 271570a_100000757648_100020591547 [0,1,0,1,0,0|1,0,1]=4 3895 B12R2.2 c1cncc(c1)c2cnoc2 271570a_100000757648_100009815712 [0,1,0,1,0,0|2,0,0]=4 3896 B12R2.2 c1cncc(c1)c2ncco2 271570a_100000757648_100011787736 [0,1,0,1,0,0|1,0,1]=4 3897 B12R2.2028 Cn1cc(c2c1nccc2)O 271570a_203496583355_100010205794 [0,1,0,1,0,0|1,0,1]=4 3898 B12R2.2028 Cn1nc(c2c1nccc2)O 271570a_203496583355_100010248644 [0,1,0,1,0,0|1,0,1]=4 3899 B12R2.2075 C=C(c1cccnc1)C2CC2 271570a_100010895485_100000752921 [0,1,0,1,0,0|2,0,0]=4 3900 B12R2.612 O=C1CCc2c1ccc(c2)O 271570a_203496583355_100000737041 [0,1,0,1,0,0|2,0,0]=4 3901 B12R2.612 O=C1NCc2c1ccc(c2)O 271570a_203496583355_100000692135 [0,1,0,1,0,0|2,0,0]=4 3902 B12R2.612 O=C1NCc2c1ccc(n2)O 271570a_203496583355_200009864240 [0,1,0,1,0,0|1,0,0]=3 3903 B12R2.612 O=C1OCc2c1ccc(c2)O 271570a_203496583355_100009816608 [0,1,0,1,0,0|1,0,0]=3 3904 B12R2.612 O=c1[nH][nH]c2c1cnc(c2)O 271570a_203496583355_100016039622 [0,1,0,1,0,0|2,0,0]=4 3905 B12R2.132 O=C1CCc2c1cc(cc2)O 271570a_203496583355_100000759401 [0,1,0,1,0,0|2,0,0]=4 3906 B12R2.132 O=C1CCc2c1cc(cn2)O 271570a_203496583355_100010174022 [0,1,0,1,0,0|1,0,0]=3 3907 B12R2.132 O=C1NCc2c1cc(cc2)O 271570a_203496583355_100010171230 [0,1,0,1,0,0|2,0,0]=4 3908 B12R2.132 O=C1OCc2c1cc(cc2)O 271570a_203496583355_100000693025 [0,1,0,1,0,0|1,0,0]=3 3909 B12R2.196 O=C1CCc2c1cccc2O 271570a_203496583355_100000744605 [0,1,0,1,0,0|2,0,0]=4 3910 B12R2.196 O=C1NCc2c1cccc2O 271570a_203496583355_100000688282 [0,1,0,1,0,0|2,0,0]=4 3911 B12R2.196 O=C1OCc2c1cccc2O 271570a_203496583355_100010167076 [0,1,0,1,0,0|1,0,0]=3 3912 B12R2.203 O=C1CCc2c1c(ccc2)O 271570a_203496583355_100009816781 [0,1,0,1,0,0|2,0,0]=4 3913 B12R2.203 O=C1NCc2c1c(ccc2)O 271570a_203496583355_100000724024 [0,1,0,1,0,0|2,0,0]=4 3914 B12R2.203 O=C1OCc2c1c(ccc2)O 271570a_203496583355_100010132333 [0,1,0,1,0,0|1,0,0]=3 3915 B8R1.7 C=C(C)c1c[nH]cn1 271570a_100000694244_100000756875 [1,0,0,0,1,0|2,0,0]=4 3916 B8R1.7 C=C(C)c1cc[nH]n1 271570a_100000694244_100000062575 [1,0,0,0,1,0|2,0,0]=4 3917 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [1,0,0,0,1,0|2,0,0]=4 3918 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [1,0,0,0,1,0|2,0,0]=4 3919 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [1,0,0,0,1,0|2,0,0]=4 3920 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [1,0,0,0,1,0|2,0,0]=4 3921 B8R1.7 C=C(C)c1ccsn1 271570a_100000694244_100009818082 [1,0,0,0,1,0|2,0,0]=4 3922 B8R1.7 C=C(C)c1cn[nH]c1 271570a_100000694244_100000238712 [1,0,0,0,1,0|2,0,0]=4 3923 B8R1.7 C=C(C)c1cnco1 271570a_100000694244_100020591547 [1,0,0,0,1,0|2,0,0]=4 3924 B8R1.7 C=C(C)c1cncs1 271570a_100000694244_100011934649 [1,0,0,0,1,0|2,0,0]=4 3925 B8R1.7 C=C(C)c1cnoc1 271570a_100000694244_100009815712 [1,0,0,0,1,0|2,0,0]=4 3926 B8R1.7 C=C(C)c1cnsc1 271570a_100000694244_100009815736 [1,0,0,0,1,0|2,0,0]=4 3927 B8R1.7 C=C(C)c1cscn1 271570a_100000694244_100000751502 [1,0,0,0,1,0|2,0,0]=4 3928 B8R1.7 C=C(C)c1ncc[nH]1 271570a_100000694244_100025796157 [1,0,0,0,1,0|2,0,0]=4 3929 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [1,0,0,0,1,0|2,0,0]=4 3930 B8R1.7 C=C(C)c1nccs1 271570a_100000694244_100000211983 [1,0,0,0,1,0|2,0,0]=4 3931 B8R1.8 CC=Cc1c[nH]cn1 271570a_100016259895_100000756875 [1,0,0,0,1,0|2,0,0]=4 3932 B8R1.8 CC=Cc1cc[nH]n1 271570a_100016259895_100000062575 [1,0,0,0,1,0|2,0,0]=4 3933 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [1,0,0,0,1,0|2,0,0]=4 3934 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [1,0,0,0,1,0|2,0,0]=4 3935 B8R1.8 CC=Cc1ccoc1 271570a_100016259895_100011215275 [1,0,0,0,1,0|2,0,0]=4 3936 B8R1.8 CC=Cc1ccsc1 271570a_100016259895_100000738268 [1,0,0,0,1,0|2,0,0]=4 3937 B8R1.8 CC=Cc1ccsn1 271570a_100016259895_100009818082 [1,0,0,0,1,0|2,0,0]=4 3938 B8R1.8 CC=Cc1cn[nH]c1 271570a_100016259895_100000238712 [1,0,0,0,1,0|2,0,0]=4 3939 B8R1.8 CC=Cc1cnco1 271570a_100016259895_100020591547 [1,0,0,0,1,0|2,0,0]=4 3940 B8R1.8 CC=Cc1cncs1 271570a_100016259895_100011934649 [1,0,0,0,1,0|2,0,0]=4 3941 B8R1.8 CC=Cc1cnoc1 271570a_100016259895_100009815712 [1,0,0,0,1,0|2,0,0]=4 3942 B8R1.8 CC=Cc1cnsc1 271570a_100016259895_100009815736 [1,0,0,0,1,0|2,0,0]=4 3943 B8R1.8 CC=Cc1cscn1 271570a_100016259895_100000751502 [1,0,0,0,1,0|2,0,0]=4 3944 B8R1.8 CC=Cc1ncc[nH]1 271570a_100016259895_100025796157 [1,0,0,0,1,0|2,0,0]=4 3945 B8R1.8 CC=Cc1ncco1 271570a_100016259895_100011787736 [1,0,0,0,1,0|2,0,0]=4 3946 B8R1.8 CC=Cc1nccs1 271570a_100016259895_100000211983 [1,0,0,0,1,0|2,0,0]=4 3947 B8R1.8 COCc1c[nH]cn1 34a_100138415774_100000707719 [1,0,0,0,1,0|1,0,1]=4 3948 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [1,0,0,0,1,0|1,0,1]=4 3949 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [1,0,0,0,1,0|1,0,1]=4 3950 B8R1.8 COCc1ccn[nH]1 34a_100138415774_100000728653 [1,0,0,0,1,0|1,0,1]=4 3951 B8R1.8 COCc1ccno1 34a_100000740478_200000210301 [1,0,0,0,1,0|1,0,1]=4 3952 B8R1.8 COCc1ccoc1 34a_100011215357_200000210301 [1,0,0,0,1,0|1,0,1]=4 3953 B8R1.8 COCc1ccon1 34a_100138415774_100000234950 [1,0,0,0,1,0|1,0,1]=4 3954 B8R1.8 COCc1ccsc1 34a_100011215551_200000210301 [1,0,0,0,1,0|1,0,1]=4 3955 B8R1.8 COCc1ccsc1 34a_100138415774_100011261437 [1,0,0,0,1,0|1,0,1]=4 3956 B8R1.8 COCc1cncs1 34a_100138415774_100015185245 [1,0,0,0,1,0|1,0,1]=4 3957 B8R1.8 COCc1cscn1 34a_100138415774_100000205941 [1,0,0,0,1,0|1,0,1]=4 3958 B8R1.8 COCc1ncc[nH]1 34a_100138415774_100016991755 [1,0,0,0,1,0|1,0,1]=4 3959 B8R1.8 COCc1ncco1 34a_100000062594_200000210301 [1,0,0,0,1,0|1,0,1]=4 3960 B8R1.8 COCc1ncco1 34a_100138415774_103436540062 [1,0,0,0,1,0|1,0,1]=4 3961 B8R1.8 COCc1nccs1 34a_100138415774_100015184050 [1,0,0,0,1,0|1,0,1]=4 3962 B8R1.8 COCn1cccn1 34a_100000731028_200000210301 [1,0,0,0,1,0|1,0,1]=4 3963 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [1,0,0,0,1,0|1,0,1]=4 3964 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [1,0,0,0,1,0|1,0,1]=4 3965 B8R1.8 [13CH3]OCc1ccno1 34a_100000740478_200025704644 [1,0,0,0,1,0|1,0,1]=4 3966 B8R1.8 [13CH3]OCc1ccoc1 34a_100011215357_200025704644 [1,0,0,0,1,0|1,0,1]=4 3967 B8R1.8 [13CH3]OCc1ccsc1 34a_100011215551_200025704644 [1,0,0,0,1,0|1,0,1]=4 3968 B8R1.8 [13CH3]OCc1ncco1 34a_100000062594_200025704644 [1,0,0,0,1,0|1,0,1]=4 3969 B8R1.8 [13CH3]OCn1cccn1 34a_100000731028_200025704644 [1,0,0,0,1,0|1,0,1]=4 3970 B12R1.27 C#CC(=O)CCc1cccnc1 1458a_100000211873_200011713674 [0,0,0,0,0,2|1,0,1]=4 3971 B12R1.27 C=CC(=O)CCc1cccnc1 1458a_100000185746_200011713674 [0,0,0,0,0,2|1,0,1]=4 3972 B12R1.27 C=CC(=O)NCc1cccnc1 240690a_100000210453_200121576911 [0,0,0,0,0,2|1,0,1]=4 3973 B12R1.27 C=CC(=O)NNc1cccnc1 22a_100000728903_100000185746 [0,0,0,0,0,2|1,0,1]=4 3974 B12R1.27 CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210202 [0,0,0,0,0,2|2,0,0]=4 3975 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [0,0,0,0,0,2|2,0,0]=4 3976 B12R1.27 CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210202 [0,0,0,0,0,2|1,0,0]=3 3977 B12R1.27 CCC(=O)C=Cc1cncnc1 6a_100000749868_100000211110 [0,0,0,0,0,2|2,0,0]=4 3978 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,0,0,0,0,2|2,0,0]=4 3979 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,0,0,0,0,2|2,0,0]=4 3980 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000198484_100000210202 [0,0,0,0,0,2|1,0,0]=3 3981 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000210414_200011713674 [0,0,0,0,0,2|1,0,0]=3 3982 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,0,0,0,0,2|2,0,0]=4 3983 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,0,0,0,0,2|2,0,0]=4 3984 B12R1.27 CCC(=O)COc1cccnc1 1458a_100015207166_100000210202 [0,0,0,0,0,2|1,0,0]=3 3985 B12R1.27 CCC(=O)COc1cccnc1 7a_100000210849_100000747405 [0,0,0,0,0,2|1,0,0]=3 3986 B12R1.27 CCC(=O)COc1cncnc1 7a_100000754086_100000747405 [0,0,0,0,0,2|2,0,0]=4 3987 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [0,0,0,0,0,2|2,0,0]=4 3988 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [0,0,0,0,0,2|2,0,0]=4 3989 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [0,0,0,0,0,2|2,0,0]=4 3990 B12R1.27 CCC(=O)CSc1cccnc1 62a_100000210063_100000747405 [0,0,0,0,0,2|1,0,0]=3 3991 B12R1.27 CCC(=O)CSc1cccnc1 62a_100000747405_100000210063 [0,0,0,0,0,2|1,0,0]=3 3992 B12R1.27 CCC(=O)CSc1cccnn1 62a_100000747405_100016991348 [0,0,0,0,0,2|2,0,0]=4 3993 B12R1.27 CCC(=O)CSc1cccnn1 62a_100016991348_100000747405 [0,0,0,0,0,2|2,0,0]=4 3994 B12R1.27 CCC(=O)CSc1ccnnc1 62a_100000732662_100000747405 [0,0,0,0,0,2|2,0,0]=4 3995 B12R1.27 CCC(=O)CSc1ccnnc1 62a_100000747405_100000732662 [0,0,0,0,0,2|2,0,0]=4 3996 B12R1.27 CCC(=O)CSc1cnccn1 62a_100000211759_100000747405 [0,0,0,0,0,2|2,0,0]=4 3997 B12R1.27 CCC(=O)CSc1cnccn1 62a_100000747405_100000211759 [0,0,0,0,0,2|2,0,0]=4 3998 B12R1.27 CCC(=O)CSc1cncnc1 62a_100000747405_100011206942 [0,0,0,0,0,2|2,0,0]=4 3999 B12R1.27 CCC(=O)CSc1cncnc1 62a_100011206942_100000747405 [0,0,0,0,0,2|2,0,0]=4 4000 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,0,0,0,0,2|2,0,0]=4 4001 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,0,0,0,0,2|2,0,0]=4 4002 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,0,0,0,0,2|2,0,0]=4 4003 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,0,0,0,0,2|2,0,0]=4 4004 B12R1.27 CCC(=O)NCc1cccnc1 11a_100000210453_100000210414 [0,0,0,0,0,2|1,0,0]=3 4005 B12R1.27 CCC(=O)NCc1cccnc1 240690a_100000210453_100000210414 [0,0,0,0,0,2|1,0,0]=3 4006 B12R1.27 CCC(=O)NCc1cccnc1 527a_100000210453_100000210414 [0,0,0,0,0,2|1,0,0]=3 4007 B12R1.27 CCC(=O)NCc1cccnn1 11a_100159270163_100000210414 [0,0,0,0,0,2|2,0,0]=4 4008 B12R1.27 CCC(=O)NCc1cccnn1 240690a_100159270163_100000210414 [0,0,0,0,0,2|2,0,0]=4 4009 B12R1.27 CCC(=O)NCc1cccnn1 527a_100159270163_100000210414 [0,0,0,0,0,2|2,0,0]=4 4010 B12R1.27 CCC(=O)NCc1cnccn1 11a_100000737960_100000210414 [0,0,0,0,0,2|2,0,0]=4 4011 B12R1.27 CCC(=O)NCc1cnccn1 240690a_100000737960_100000210414 [0,0,0,0,0,2|2,0,0]=4 4012 B12R1.27 CCC(=O)NCc1cnccn1 527a_100000737960_100000210414 [0,0,0,0,0,2|2,0,0]=4 4013 B12R1.27 CCC(=O)NCc1cncnc1 11a_100011243677_100000210414 [0,0,0,0,0,2|2,0,0]=4 4014 B12R1.27 CCC(=O)NCc1cncnc1 240690a_100011243677_100000210414 [0,0,0,0,0,2|2,0,0]=4 4015 B12R1.27 CCC(=O)NCc1cncnc1 527a_100011243677_100000210414 [0,0,0,0,0,2|2,0,0]=4 4016 B12R1.27 CCC(=O)NNc1ccccc1 22a_100015195140_100000210414 [0,0,0,0,0,2|2,0,0]=4 4017 B12R1.27 CCC(=O)NNc1cccnc1 22a_100000728903_100000210414 [0,0,0,0,0,2|1,0,0]=3 4018 B12R1.27 CCC(=O)NNc1cccnn1 22a_100000757824_100000210414 [0,0,0,0,0,2|2,0,0]=4 4019 B12R1.27 CCC(=O)NNc1cnccn1 22a_100000736894_100000210414 [0,0,0,0,0,2|2,0,0]=4 4020 B12R1.27 CNC(=O)C#Cc1ccccc1 240690a_100102657272_100000736102 [0,0,0,0,0,2|2,0,0]=4 4021 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [0,0,0,0,0,2|2,0,0]=4 4022 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [0,0,0,0,0,2|2,0,0]=4 4023 B12R1.27 CNC(=O)C=Cc1cccnc1 11a_106832991635_100000735890 [0,0,0,0,0,2|1,0,0]=3 4024 B12R1.27 CNC(=O)C=Cc1cccnc1 240690a_100102657272_100000735890 [0,0,0,0,0,2|1,0,0]=3 4025 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,0,0,0,0,2|2,0,0]=4 4026 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,0,0,0,0,2|2,0,0]=4 4027 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,0,0,0,0,2|2,0,0]=4 4028 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,0,0,0,0,2|2,0,0]=4 4029 B12R1.27 CNC(=O)CCc1cccnc1 11a_106832991635_100000198484 [0,0,0,0,0,2|1,0,0]=3 4030 B12R1.27 CNC(=O)CCc1cccnc1 1626a_100102657272_100000198484 [0,0,0,0,0,2|1,0,0]=3 4031 B12R1.27 CNC(=O)CCc1cccnc1 240690a_100102657272_100000198484 [0,0,0,0,0,2|1,0,0]=3 4032 B12R1.27 CNC(=O)CCc1cccnc1 527a_100102657272_100000198484 [0,0,0,0,0,2|1,0,0]=3 4033 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [0,0,0,0,0,2|2,0,0]=4 4034 B12R1.27 CNC(=O)CNc1cccnn1 27a_100000693194_100016991348 [0,0,0,0,0,2|2,0,0]=4 4035 B12R1.27 CNC(=O)CNc1cnccn1 27a_100000693194_100000211759 [0,0,0,0,0,2|2,0,0]=4 4036 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [0,0,0,0,0,2|2,0,0]=4 4037 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [0,0,0,0,0,2|2,0,0]=4 4038 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [0,0,0,0,0,2|2,0,0]=4 4039 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [0,0,0,0,0,2|2,0,0]=4 4040 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [0,0,0,0,0,2|2,0,0]=4 4041 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [0,0,0,0,0,2|2,0,0]=4 4042 B12R1.27 CNC(=O)COc1cccnc1 11a_106832991635_100015207166 [0,0,0,0,0,2|1,0,0]=3 4043 B12R1.27 CNC(=O)COc1cccnc1 1626a_100102657272_100015207166 [0,0,0,0,0,2|1,0,0]=3 4044 B12R1.27 CNC(=O)COc1cccnc1 240690a_100102657272_100015207166 [0,0,0,0,0,2|1,0,0]=3 4045 B12R1.27 CNC(=O)COc1cccnc1 34a_100000210849_100000183359 [0,0,0,0,0,2|1,0,0]=3 4046 B12R1.27 CNC(=O)COc1cccnc1 527a_100102657272_100015207166 [0,0,0,0,0,2|1,0,0]=3 4047 B12R1.27 CNC(=O)COc1cccnc1 7a_100000210849_100000183359 [0,0,0,0,0,2|1,0,0]=3 4048 B12R1.27 CNC(=O)COc1ccnnc1 34a_100015204005_100000183359 [0,0,0,0,0,2|2,0,0]=4 4049 B12R1.27 CNC(=O)COc1cncnc1 7a_100000754086_100000183359 [0,0,0,0,0,2|2,0,0]=4 4050 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [0,0,0,0,0,2|2,0,0]=4 4051 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [0,0,0,0,0,2|2,0,0]=4 4052 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [0,0,0,0,0,2|2,0,0]=4 4053 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [0,0,0,0,0,2|2,0,0]=4 4054 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [0,0,0,0,0,2|2,0,0]=4 4055 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [0,0,0,0,0,2|2,0,0]=4 4056 B12R1.27 CNC(=O)CSc1cccnc1 62a_100000183359_100000210063 [0,0,0,0,0,2|1,0,0]=3 4057 B12R1.27 CNC(=O)CSc1cccnc1 62a_100000210063_100000183359 [0,0,0,0,0,2|1,0,0]=3 4058 B12R1.27 CNC(=O)CSc1cccnn1 62a_100000183359_100016991348 [0,0,0,0,0,2|2,0,0]=4 4059 B12R1.27 CNC(=O)CSc1cccnn1 62a_100016991348_100000183359 [0,0,0,0,0,2|2,0,0]=4 4060 B12R1.27 CNC(=O)CSc1ccnnc1 62a_100000183359_100000732662 [0,0,0,0,0,2|2,0,0]=4 4061 B12R1.27 CNC(=O)CSc1ccnnc1 62a_100000732662_100000183359 [0,0,0,0,0,2|2,0,0]=4 4062 B12R1.27 CNC(=O)CSc1cnccn1 62a_100000183359_100000211759 [0,0,0,0,0,2|2,0,0]=4 4063 B12R1.27 CNC(=O)CSc1cnccn1 62a_100000211759_100000183359 [0,0,0,0,0,2|2,0,0]=4 4064 B12R1.27 CNC(=O)CSc1cncnc1 62a_100000183359_100011206942 [0,0,0,0,0,2|2,0,0]=4 4065 B12R1.27 CNC(=O)CSc1cncnc1 62a_100011206942_100000183359 [0,0,0,0,0,2|2,0,0]=4 4066 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,0,0,0,0,2|2,0,0]=4 4067 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,0,0,0,0,2|2,0,0]=4 4068 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,0,0,0,0,2|2,0,0]=4 4069 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,0,0,0,0,2|2,0,0]=4 4070 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,0,0,0,0,2|2,0,0]=4 4071 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,0,0,0,0,2|2,0,0]=4 4072 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100000210453_106832991635 [0,0,0,0,0,2|1,0,0]=3 4073 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100102657272_100000210453 [0,0,0,0,0,2|1,0,0]=3 4074 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100000210453_100102657272 [0,0,0,0,0,2|1,0,0]=3 4075 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100102657272_100000210453 [0,0,0,0,0,2|1,0,0]=3 4076 B12R1.27 CNC(=O)NCc1cccnc1 512a_100000210453_100102657272 [0,0,0,0,0,2|1,0,0]=3 4077 B12R1.27 CNC(=O)NCc1cccnc1 512a_106832991638_100000210453 [0,0,0,0,0,2|1,0,0]=3 4078 B12R1.27 CNC(=O)NCc1cccnn1 2708a_100102657272_100159270163 [0,0,0,0,0,2|2,0,0]=4 4079 B12R1.27 CNC(=O)NCc1cccnn1 2708a_100159270163_106832991635 [0,0,0,0,0,2|2,0,0]=4 4080 B12R1.27 CNC(=O)NCc1cccnn1 273464a_100102657272_100159270163 [0,0,0,0,0,2|2,0,0]=4 4081 B12R1.27 CNC(=O)NCc1cccnn1 273464a_100159270163_100102657272 [0,0,0,0,0,2|2,0,0]=4 4082 B12R1.27 CNC(=O)NCc1cccnn1 512a_100159270163_100102657272 [0,0,0,0,0,2|2,0,0]=4 4083 B12R1.27 CNC(=O)NCc1cccnn1 512a_106832991638_100159270163 [0,0,0,0,0,2|2,0,0]=4 4084 B12R1.27 CNC(=O)NCc1cnccn1 2708a_100000737960_106832991635 [0,0,0,0,0,2|2,0,0]=4 4085 B12R1.27 CNC(=O)NCc1cnccn1 2708a_100102657272_100000737960 [0,0,0,0,0,2|2,0,0]=4 4086 B12R1.27 CNC(=O)NCc1cnccn1 273464a_100000737960_100102657272 [0,0,0,0,0,2|2,0,0]=4 4087 B12R1.27 CNC(=O)NCc1cnccn1 273464a_100102657272_100000737960 [0,0,0,0,0,2|2,0,0]=4 4088 B12R1.27 CNC(=O)NCc1cnccn1 512a_100000737960_100102657272 [0,0,0,0,0,2|2,0,0]=4 4089 B12R1.27 CNC(=O)NCc1cnccn1 512a_106832991638_100000737960 [0,0,0,0,0,2|2,0,0]=4 4090 B12R1.27 CNC(=O)NCc1cncnc1 2708a_100011243677_106832991635 [0,0,0,0,0,2|2,0,0]=4 4091 B12R1.27 CNC(=O)NCc1cncnc1 2708a_100102657272_100011243677 [0,0,0,0,0,2|2,0,0]=4 4092 B12R1.27 CNC(=O)NCc1cncnc1 273464a_100011243677_100102657272 [0,0,0,0,0,2|2,0,0]=4 4093 B12R1.27 CNC(=O)NCc1cncnc1 273464a_100102657272_100011243677 [0,0,0,0,0,2|2,0,0]=4 4094 B12R1.27 CNC(=O)NCc1cncnc1 512a_100011243677_100102657272 [0,0,0,0,0,2|2,0,0]=4 4095 B12R1.27 CNC(=O)NCc1cncnc1 512a_106832991638_100011243677 [0,0,0,0,0,2|2,0,0]=4 4096 B12R1.27 CNC(=O)NNc1ccccc1 273464a_100102657272_100015195140 [0,0,0,0,0,2|2,0,0]=4 4097 B12R1.27 CNC(=O)NNc1ccccc1 512a_106832991638_100015195140 [0,0,0,0,0,2|2,0,0]=4 4098 B12R1.27 CNC(=O)NNc1cccnc1 273464a_100102657272_100000728903 [0,0,0,0,0,2|1,0,0]=3 4099 B12R1.27 CNC(=O)NNc1cccnc1 512a_106832991638_100000728903 [0,0,0,0,0,2|1,0,0]=3 4100 B12R1.27 CNC(=O)NNc1cccnn1 273464a_100102657272_100000757824 [0,0,0,0,0,2|2,0,0]=4 4101 B12R1.27 CNC(=O)NNc1cccnn1 512a_106832991638_100000757824 [0,0,0,0,0,2|2,0,0]=4 4102 B12R1.27 CNC(=O)NNc1cnccn1 273464a_100102657272_100000736894 [0,0,0,0,0,2|2,0,0]=4 4103 B12R1.27 CNC(=O)NNc1cnccn1 512a_106832991638_100000736894 [0,0,0,0,0,2|2,0,0]=4 4104 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,0,0,0,0,2|1,0,0]=3 4105 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [0,0,0,0,0,2|1,0,0]=3 4106 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [0,0,0,0,0,2|1,0,0]=3 4107 B12R1.27 COC(=O)COc1cccnc1 34a_100000210849_100000747449 [0,0,0,0,0,2|0,0,0]=2 4108 B12R1.27 COC(=O)COc1cccnc1 7a_100000210849_100000747449 [0,0,0,0,0,2|0,0,0]=2 4109 B12R1.27 COC(=O)COc1ccncc1 34a_100000212176_100000747449 [0,0,0,0,0,2|2,0,0]=4 4110 B12R1.27 COC(=O)COc1ccnnc1 34a_100015204005_100000747449 [0,0,0,0,0,2|1,0,0]=3 4111 B12R1.27 COC(=O)COc1cncnc1 7a_100000754086_100000747449 [0,0,0,0,0,2|1,0,0]=3 4112 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [0,0,0,0,0,2|1,0,0]=3 4113 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [0,0,0,0,0,2|1,0,0]=3 4114 B12R1.27 COC(=O)CSc1ccccn1 62a_100000747449_100011216584 [0,0,0,0,0,2|2,0,0]=4 4115 B12R1.27 COC(=O)CSc1ccccn1 62a_100011216584_100000747449 [0,0,0,0,0,2|2,0,0]=4 4116 B12R1.27 COC(=O)CSc1cccnc1 62a_100000210063_100000747449 [0,0,0,0,0,2|0,0,0]=2 4117 B12R1.27 COC(=O)CSc1cccnc1 62a_100000747449_100000210063 [0,0,0,0,0,2|0,0,0]=2 4118 B12R1.27 COC(=O)CSc1cccnn1 62a_100000747449_100016991348 [0,0,0,0,0,2|1,0,0]=3 4119 B12R1.27 COC(=O)CSc1cccnn1 62a_100016991348_100000747449 [0,0,0,0,0,2|1,0,0]=3 4120 B12R1.27 COC(=O)CSc1ccncc1 62a_100000728582_100000747449 [0,0,0,0,0,2|2,0,0]=4 4121 B12R1.27 COC(=O)CSc1ccncc1 62a_100000747449_100000728582 [0,0,0,0,0,2|2,0,0]=4 4122 B12R1.27 COC(=O)CSc1ccnnc1 62a_100000732662_100000747449 [0,0,0,0,0,2|1,0,0]=3 4123 B12R1.27 COC(=O)CSc1ccnnc1 62a_100000747449_100000732662 [0,0,0,0,0,2|1,0,0]=3 4124 B12R1.27 COC(=O)CSc1cnccn1 62a_100000211759_100000747449 [0,0,0,0,0,2|1,0,0]=3 4125 B12R1.27 COC(=O)CSc1cnccn1 62a_100000747449_100000211759 [0,0,0,0,0,2|1,0,0]=3 4126 B12R1.27 COC(=O)CSc1cncnc1 62a_100000747449_100011206942 [0,0,0,0,0,2|1,0,0]=3 4127 B12R1.27 COC(=O)CSc1cncnc1 62a_100011206942_100000747449 [0,0,0,0,0,2|1,0,0]=3 4128 B12R1.27 COC(=O)CSc1cnnnc1 62a_100000747449_100009846058 [0,0,0,0,0,2|2,0,0]=4 4129 B12R1.27 COC(=O)CSc1cnnnc1 62a_100009846058_100000747449 [0,0,0,0,0,2|2,0,0]=4 4130 B12R1.27 COC(C)SCc1cccnc1 62a_100000741622_100009879195 [0,0,0,0,0,2|1,0,1]=4 4131 B12R1.27 COC(C)SCc1cccnc1 62a_100009879195_100000741622 [0,0,0,0,0,2|1,0,1]=4 4132 B12R1.27 O=C(C=Cc1cccnc1)CF 1458a_100000735890_100015361967 [0,0,0,0,0,2|2,0,0]=4 4133 B12R1.27 O=C(CF)CCc1cccnc1 1458a_100000198484_100015361967 [0,0,0,0,0,2|2,0,0]=4 4134 B12R1.27 O=C(CF)COc1cccnc1 1458a_100015207166_100015361967 [0,0,0,0,0,2|2,0,0]=4 4135 B12R1.27 O=C(CO)CCc1cccnc1 1458a_100000210174_200011713674 [0,0,0,0,0,2|2,0,0]=4 4136 B12R1.27 O=C(CO)NCc1cccnc1 240690a_100000210453_100000210174 [0,0,0,0,0,2|2,0,0]=4 4137 B12R1.27 O=C(CO)NCc1cccnc1 527a_100000210453_100000210174 [0,0,0,0,0,2|2,0,0]=4 4138 B12R1.27 O=C(CO)NNc1cccnc1 22a_100000728903_100000210174 [0,0,0,0,0,2|2,0,0]=4