0 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.18 CC(=Cc1cccnc1)C 271570a_100102525489_100000752921 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.18 CC(=Cc1cccnn1)C 271570a_100102525489_100016991348 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.18 CC(=Cc1ccncc1)C 271570a_100102525489_100000035832 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.18 CC(=Cc1ccncn1)C 271570a_100102525489_100000703185 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.18 CC(=Cc1ccnnc1)C 271570a_100102525489_100000732662 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.18 CC(=Cc1cnccn1)C 271570a_100102525489_100000758340 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.18 CC(=Cc1cncnc1)C 271570a_100102525489_100011206942 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.18 CC(=Cc1ncccn1)C 271570a_100102525489_100000211032 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.18 CC(=O)Cc1cccnn1 1458a_100000070787_100016990269 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000070787_100015196519 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000721575_200000210301 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.18 CC(=O)Cc1ncccn1 1458a_100000070787_100000703007 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [0,0,0,0,0,0|1,0,0]=1 23 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [0,0,0,0,0,0|1,0,0]=1 24 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [0,0,0,0,0,0|1,0,0]=1 25 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [0,0,0,0,0,0|1,0,0]=1 26 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [0,0,0,0,0,0|2,0,1]=3 27 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [0,0,0,0,0,0|1,0,1]=2 28 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [0,0,0,0,0,0|1,0,1]=2 29 B10R1.18 CC(C)Oc1cccnc1 34a_100000210849_100000210206 [0,0,0,0,0,0|2,0,1]=3 30 B10R1.18 CC(C)Oc1cccnc1 7a_100000210849_100000210206 [0,0,0,0,0,0|2,0,1]=3 31 B10R1.18 CC(C)Oc1ccncc1 34a_100000212176_100000210206 [0,0,0,0,0,0|2,0,1]=3 32 B10R1.18 CC(C)Oc1ccnnc1 34a_100015204005_100000210206 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.18 CC(C)Oc1cncnc1 7a_100000754086_100000210206 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [0,0,0,0,0,0|1,1,1]=3 35 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [0,0,0,0,0,0|1,1,1]=3 36 B10R1.18 CC(C)Sc1ccccn1 62a_100000210206_100011216584 [0,0,0,0,0,0|2,1,1]=4 37 B10R1.18 CC(C)Sc1ccccn1 62a_100011216584_100000210206 [0,0,0,0,0,0|2,1,1]=4 38 B10R1.18 CC(C)Sc1cccnc1 62a_100000210063_100000210206 [0,0,0,0,0,0|2,1,1]=4 39 B10R1.18 CC(C)Sc1cccnc1 62a_100000210206_100000210063 [0,0,0,0,0,0|2,1,1]=4 40 B10R1.18 CC(C)Sc1ccncc1 62a_100000210206_100000728582 [0,0,0,0,0,0|2,1,1]=4 41 B10R1.18 CC(C)Sc1ccncc1 62a_100000728582_100000210206 [0,0,0,0,0,0|2,1,1]=4 42 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [0,0,0,0,0,0|3,0,0]=3 44 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [0,0,0,0,0,0|3,0,0]=3 46 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [0,0,0,0,0,0|3,0,0]=3 47 B10R1.18 CN(C)Cc1ccccn1 2230a_100000207498_200000210301 [0,0,0,0,0,0|4,0,0]=4 48 B10R1.18 CN(C)Cc1ccccn1 2230a_100102631434_100000721315 [0,0,0,0,0,0|4,0,0]=4 49 B10R1.18 CN(C)Cc1ccccn1 269982a_100000207498_200000210301 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.18 CN(C)Cc1ccccn1 269982a_100102631434_100000721315 [0,0,0,0,0,0|4,0,0]=4 51 B10R1.18 CN(C)Cc1ccccn1 270004a_100102631434_100000209966 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.18 CN(C)Cc1cccnc1 2230a_100000184577_200000210301 [0,0,0,0,0,0|4,0,0]=4 53 B10R1.18 CN(C)Cc1cccnc1 2230a_100102631434_100000741622 [0,0,0,0,0,0|4,0,0]=4 54 B10R1.18 CN(C)Cc1cccnc1 269982a_100000184577_200000210301 [0,0,0,0,0,0|4,0,0]=4 55 B10R1.18 CN(C)Cc1cccnc1 269982a_100102631434_100000733263 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.18 CN(C)Cc1cccnc1 270004a_100102631434_100000209961 [0,0,0,0,0,0|4,0,0]=4 57 B10R1.18 CN(C)Cc1ccncc1 2230a_100000187231_200000210301 [0,0,0,0,0,0|4,0,0]=4 58 B10R1.18 CN(C)Cc1ccncc1 2230a_100102631434_100015193705 [0,0,0,0,0,0|4,0,0]=4 59 B10R1.18 CN(C)Cc1ccncc1 269982a_100000187231_200000210301 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.18 CN(C)Cc1ccncc1 269982a_100102631434_100015193705 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [0,0,0,0,0,0|3,0,0]=3 62 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [0,0,0,0,0,0|3,0,0]=3 63 B10R1.18 CN([13CH3])Cc1ccccn1 2230a_100000207498_200025704644 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.18 CN([13CH3])Cc1ccccn1 269982a_100000207498_200025704644 [0,0,0,0,0,0|4,0,0]=4 65 B10R1.18 CN([13CH3])Cc1cccnc1 2230a_100000184577_200025704644 [0,0,0,0,0,0|4,0,0]=4 66 B10R1.18 CN([13CH3])Cc1cccnc1 269982a_100000184577_200025704644 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.18 CN([13CH3])Cc1ccncc1 2230a_100000187231_200025704644 [0,0,0,0,0,0|4,0,0]=4 68 B10R1.18 CN([13CH3])Cc1ccncc1 269982a_100000187231_200025704644 [0,0,0,0,0,0|4,0,0]=4 69 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [0,0,0,0,0,0|2,0,0]=2 70 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [0,0,0,0,0,0|2,0,0]=2 71 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [0,0,0,0,0,0|2,0,0]=2 72 B10R1.18 [13CH3]C(=O)Cc1cncnc1 1458a_100000721575_200025704644 [0,0,0,0,0,0|3,0,0]=3 73 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [1,0,0,0,0,0|1,0,2]=4 74 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,0,0,0,0,0|1,0,0]=2 75 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.8 CC=Cc1cccnn1 271570a_100016259895_100016991348 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.8 CC=Cc1ccncn1 271570a_100016259895_100000703185 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.8 CC=Cc1ccnnc1 271570a_100016259895_100000732662 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.8 CC=Cc1cnccn1 271570a_100016259895_100000758340 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.8 CC=Cc1cncnc1 271570a_100016259895_100011206942 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.8 CC=Cc1ncccn1 271570a_100016259895_100000211032 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [1,0,0,0,0,0|1,0,1]=3 85 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,0,0,0,0,0|0,0,1]=2 86 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,0,0,0,0,0|0,0,1]=2 87 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [1,0,0,0,0,0|1,0,1]=3 88 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [1,0,0,0,0,0|1,0,1]=3 89 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [1,0,0,0,0,0|1,0,1]=3 90 B9R1.8 CCOc1ccnnc1 34a_100015204005_100000210202 [1,0,0,0,0,0|2,0,1]=4 91 B9R1.8 CCOc1cncnc1 7a_100000754086_100000210202 [1,0,0,0,0,0|2,0,1]=4 92 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [1,0,0,0,0,0|0,1,1]=3 93 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [1,0,0,0,0,0|0,1,1]=3 94 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [1,0,0,0,0,0|1,1,1]=4 95 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [1,0,0,0,0,0|1,1,1]=4 96 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [1,0,0,0,0,0|1,1,1]=4 97 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [1,0,0,0,0,0|1,1,1]=4 98 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [1,0,0,0,0,0|1,1,1]=4 99 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [1,0,0,0,0,0|1,1,1]=4 100 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,0,0,0,0,0|2,0,0]=3 103 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [1,0,0,0,0,0|2,0,1]=4 134 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [1,0,0,0,0,0|1,0,1]=3 135 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [1,0,0,0,0,0|1,0,1]=3 136 B9R1.8 FCOc1cccnc1 34a_100000210849_100015361967 [1,0,0,0,0,0|2,0,1]=4 137 B9R1.8 FCOc1cccnc1 7a_100000210849_100015361967 [1,0,0,0,0,0|2,0,1]=4 138 B9R1.8 FCOc1ccncc1 34a_100000212176_100015361967 [1,0,0,0,0,0|2,0,1]=4 139 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [1,0,0,0,0,0|1,1,1]=4 140 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [1,0,0,0,0,0|1,1,1]=4 141 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,0,0,0,0,0|2,0,0]=3 142 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,0,0,0,0,0|2,0,0]=3 144 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,0,0,0,0,0|2,0,0]=3 145 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,0,0,0,0,0|2,0,0]=3 147 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [1,0,0,0,0,0|3,0,0]=4 153 B11R1.20 CC(=Cc1cc[n+](cc1)[O-])C 271570a_100102525489_100000039755 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.20 CC(=Cc1ccc(=O)[nH]c1)C 271570a_100102525489_100000212171 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.20 CC(=Cc1ccc(cc1)Br)C 271570a_100102525489_100000752885 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.20 CC(=Cc1ccc(cc1)C)C 271570a_100102525489_100000186775 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.20 CC(=Cc1ccc(cc1)Cl)C 271570a_100102525489_100000755918 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.20 CC(=Cc1ccc(cc1)F)C 271570a_100102525489_100000211213 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.20 CC(=Cc1ccc(cc1)N)C 271570a_100102525489_100000185761 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.20 CC(=Cc1ccc(cn1)Br)C 271570a_100102525489_100000686858 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.20 CC(=Cc1ccc(cn1)C)C 271570a_100102525489_100000754016 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.20 CC(=Cc1ccc(cn1)Cl)C 271570a_100102525489_100011356976 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.20 CC(=Cc1ccc(cn1)F)C 271570a_100102525489_100000744514 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.20 CC(=Cc1ccc(cn1)N)C 271570a_100102525489_100000744251 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.20 CC(=Cc1ccc(cn1)O)C 271570a_100102525489_100000685995 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.20 CC(=Cc1ccc(nc1)Br)C 271570a_100102525489_100009814638 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.20 CC(=Cc1ccc(nc1)C)C 271570a_100102525489_100000751577 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.20 CC(=Cc1ccc(nc1)Cl)C 271570a_100102525489_100000034144 [0,1,0,0,0,0|3,0,0]=4 170 B11R1.20 CC(=Cc1ccc(nc1)F)C 271570a_100102525489_100000748661 [0,1,0,0,0,0|3,0,0]=4 171 B11R1.20 CC(=Cc1ccc(nc1)N)C 271570a_100102525489_100000187370 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [0,1,0,0,0,0|1,0,0]=2 173 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [0,1,0,0,0,0|1,0,0]=2 174 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [0,1,0,0,0,0|1,0,0]=2 175 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [0,1,0,0,0,0|1,0,0]=2 176 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [0,1,0,0,0,0|1,0,0]=2 177 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [0,1,0,0,0,0|1,0,0]=2 178 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [0,1,0,0,0,0|1,0,0]=2 179 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [0,1,0,0,0,0|1,0,0]=2 180 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [0,1,0,0,0,0|1,0,0]=2 182 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [0,1,0,0,0,0|1,0,0]=2 183 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [0,1,0,0,0,0|1,0,0]=2 184 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100000070787_100000702658 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_200000210301 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000070787_100012066911 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200000210301 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.20 CC(=O)Cc1ccc(cn1)F 1458a_100000070787_100000703193 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100000070787_100009831999 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_200000210301 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [0,1,0,0,0,0|2,0,0]=3 194 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [0,1,0,0,0,0|2,0,0]=3 195 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200000210301 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000070787_100000735431 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.20 CC(=O)Cc1ccc(nc1)F 1458a_100000070787_100009820150 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.20 CC(=O)Cc1ccc(nn1)Cl 1458a_100000070787_100016992710 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.20 CC(=O)Cc1cnc(cn1)C 1458a_100000070787_100000752025 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.20 CC(=O)Cc1ncc(cn1)Br 1458a_100000070787_100010064664 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.20 CC(=O)Cc1ncc(cn1)C 1458a_100000070787_100000685645 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.20 CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_200000210301 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [0,1,0,0,0,0|1,0,0]=2 204 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [0,1,0,0,0,0|1,0,0]=2 205 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [0,1,0,0,0,0|1,0,0]=2 207 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [0,1,0,0,0,0|1,0,0]=2 208 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [0,1,0,0,0,0|1,0,0]=2 209 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [0,1,0,0,0,0|1,0,0]=2 210 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [0,1,0,0,0,0|1,0,0]=2 211 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [0,1,0,0,0,0|1,0,0]=2 212 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [0,1,0,0,0,0|1,0,0]=2 213 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [0,1,0,0,0,0|1,0,0]=2 214 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [0,1,0,0,0,0|1,0,0]=2 215 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [0,1,0,0,0,0|1,0,0]=2 216 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [0,1,0,0,0,0|1,0,0]=2 217 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [0,1,0,0,0,0|1,0,0]=2 218 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [0,1,0,0,0,0|1,0,0]=2 219 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [0,1,0,0,0,0|1,0,0]=2 220 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [0,1,0,0,0,0|1,0,0]=2 221 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [0,1,0,0,0,0|1,0,0]=2 222 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [0,1,0,0,0,0|1,0,0]=2 223 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [0,1,0,0,0,0|1,0,0]=2 224 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [0,1,0,0,0,0|1,0,0]=2 225 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [0,1,0,0,0,0|2,0,0]=3 226 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.20 CC(=O)Nc1ccc(nn1)O 271570a_203496583355_100011804224 [0,1,0,0,0,0|3,0,0]=4 228 B11R1.20 CC(=O)Nc1ncc(cn1)O 271570a_203496583355_100010141023 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [0,1,0,0,0,0|0,0,0]=1 230 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [0,1,0,0,0,0|0,1,0]=2 231 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [0,1,0,0,0,0|0,1,0]=2 232 B11R1.20 CC(C)Cc1ccc(cc1)O 271570a_203496583355_100011221366 [0,1,0,0,0,0|2,0,1]=4 233 B11R1.20 CC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000210206 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.20 CC(C)Nc1ccc(cc1)Br 34a_100000210018_100000210206 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.20 CC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000210206 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.20 CC(C)Nc1ccc(cc1)Cl 34a_100000210052_100000210206 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.20 CC(C)Nc1ccc(cc1)F 34a_100000185862_100000210206 [0,1,0,0,0,0|2,0,1]=4 238 B11R1.20 CC(C)Nc1ccc(cc1)I 34a_100000185761_100000210206 [0,1,0,0,0,0|2,0,1]=4 239 B11R1.20 CC(C)Nc1ccc(cc1)O 271570a_203496583355_100000219625 [0,1,0,0,0,0|2,0,1]=4 240 B11R1.20 CC(C)Nc1ccc(cc1)O 34a_100000185829_100000210206 [0,1,0,0,0,0|2,0,1]=4 241 B11R1.20 CC(C)Oc1ccc(=O)[nH]c1 34a_100000075641_100000210206 [0,1,0,0,0,0|2,0,1]=4 242 B11R1.20 CC(C)Oc1ccc(cc1)Br 34a_100000185759_100000210206 [0,1,0,0,0,0|1,0,1]=3 243 B11R1.20 CC(C)Oc1ccc(cc1)Br 7a_100000185759_100000210206 [0,1,0,0,0,0|1,0,1]=3 244 B11R1.20 CC(C)Oc1ccc(cc1)Cl 34a_100000210216_100000210206 [0,1,0,0,0,0|1,0,1]=3 245 B11R1.20 CC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000210206 [0,1,0,0,0,0|1,0,1]=3 246 B11R1.20 CC(C)Oc1ccc(cc1)F 34a_100000210339_100000210206 [0,1,0,0,0,0|1,0,1]=3 247 B11R1.20 CC(C)Oc1ccc(cc1)I 34a_100000212066_100000210206 [0,1,0,0,0,0|1,0,1]=3 248 B11R1.20 CC(C)Oc1ccc(cc1)I 7a_100000212066_100000210206 [0,1,0,0,0,0|1,0,1]=3 249 B11R1.20 CC(C)Oc1ccc(cc1)N 34a_100000185829_100000210206 [0,1,0,0,0,0|1,0,1]=3 250 B11R1.20 CC(C)Oc1ccc(cc1)O 271570a_203496583355_100000169947 [0,1,0,0,0,0|1,0,1]=3 251 B11R1.20 CC(C)Oc1ccc(cn1)Cl 34a_100011215309_100000210206 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.20 CC(C)Oc1ccc(cn1)F 34a_100000742473_100000210206 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.20 CC(C)Oc1ccc(cn1)N 34a_100000729260_100000210206 [0,1,0,0,0,0|2,0,1]=4 254 B11R1.20 CC(C)Oc1ccc(cn1)O 271570a_203496583355_100000688564 [0,1,0,0,0,0|2,0,1]=4 255 B11R1.20 CC(C)Oc1ccc(nc1)Br 34a_100000685995_100000210206 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.20 CC(C)Oc1ccc(nc1)Br 7a_100000685995_100000210206 [0,1,0,0,0,0|2,0,1]=4 257 B11R1.20 CC(C)Oc1ccc(nc1)Cl 34a_100000744096_100000210206 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.20 CC(C)Oc1ccc(nc1)Cl 7a_100000744096_100000210206 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.20 CC(C)Oc1ccc(nc1)F 34a_100000688820_100000210206 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.20 CC(C)Oc1ccc(nc1)F 7a_100000688820_100000210206 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.20 CC(C)Oc1ccc(nc1)I 34a_100000687607_100000210206 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.20 CC(C)Oc1ccc(nc1)I 7a_100000687607_100000210206 [0,1,0,0,0,0|2,0,1]=4 263 B11R1.20 CC(C)Oc1ccc(nc1)N 34a_100015188713_100000210206 [0,1,0,0,0,0|2,0,1]=4 264 B11R1.20 CC(C)Oc1ccc(nc1)N 7a_100015188713_100000210206 [0,1,0,0,0,0|2,0,1]=4 265 B11R1.20 CC(C)Oc1ccc(nc1)O 271570a_203496583355_100012354243 [0,1,0,0,0,0|2,0,1]=4 266 B11R1.20 CC(C)Sc1ccc(cc1)Br 62a_100000210206_100000752885 [0,1,0,0,0,0|1,1,1]=4 267 B11R1.20 CC(C)Sc1ccc(cc1)Br 62a_100000752885_100000210206 [0,1,0,0,0,0|1,1,1]=4 268 B11R1.20 CC(C)Sc1ccc(cc1)Cl 62a_100000210206_100000755918 [0,1,0,0,0,0|1,1,1]=4 269 B11R1.20 CC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000210206 [0,1,0,0,0,0|1,1,1]=4 270 B11R1.20 CC(C)Sc1ccc(cc1)F 62a_100000210206_100000211213 [0,1,0,0,0,0|1,1,1]=4 271 B11R1.20 CC(C)Sc1ccc(cc1)F 62a_100000211213_100000210206 [0,1,0,0,0,0|1,1,1]=4 272 B11R1.20 CC(C)Sc1ccc(cc1)N 62a_100000185761_100000210206 [0,1,0,0,0,0|1,1,1]=4 273 B11R1.20 CC(C)Sc1ccc(cc1)N 62a_100000210206_100000185761 [0,1,0,0,0,0|1,1,1]=4 274 B11R1.20 CC(C)Sc1ccc(cc1)O 271570a_203496583355_100009811894 [0,1,0,0,0,0|1,1,1]=4 275 B11R1.20 CC(C)Sc1ccc(cc1)O 62a_100000210206_100000185759 [0,1,0,0,0,0|1,1,1]=4 276 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100000180866_200000210301 [0,1,0,0,0,0|3,0,0]=4 277 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100102631434_100011217064 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100000180866_200000210301 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100102631434_100011217064 [0,1,0,0,0,0|3,0,0]=4 280 B11R1.20 CN(C)Cc1ccc(cc1)Br 270004a_100102631434_100000186029 [0,1,0,0,0,0|3,0,0]=4 281 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100000184517_200000210301 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100102631434_100000694040 [0,1,0,0,0,0|3,0,0]=4 283 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100000184517_200000210301 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100102631434_100000187161 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.20 CN(C)Cc1ccc(cc1)Cl 270004a_100102631434_100000189385 [0,1,0,0,0,0|3,0,0]=4 286 B11R1.20 CN(C)Cc1ccc(cc1)Cl 34a_100000184517_200000210301 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100000184576_200000210301 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100102631434_100000198546 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100000184576_200000210301 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100102631434_100000198546 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.20 CN(C)Cc1ccc(cc1)F 270004a_100102631434_100000210084 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.20 CN(C)Cc1ccc(cc1)F 34a_100000184576_200000210301 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.20 CN(C)Cc1ccc(cc1)I 2230a_100102631434_100000189116 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.20 CN(C)Cc1ccc(cc1)I 269982a_100102631434_100000189116 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.20 CN(C)Cc1ccc(cc1)O 2230a_100000207500_200000210301 [0,1,0,0,0,0|3,0,0]=4 296 B11R1.20 CN(C)Cc1ccc(cc1)O 269982a_100000207500_200000210301 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.20 CN(C)Cc1ccc(cc1)O 271570a_203496583355_100000174694 [0,1,0,0,0,0|3,0,0]=4 298 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 2230a_100000180866_200025704644 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 269982a_100000180866_200025704644 [0,1,0,0,0,0|3,0,0]=4 300 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 2230a_100000184517_200025704644 [0,1,0,0,0,0|3,0,0]=4 301 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 269982a_100000184517_200025704644 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 34a_100000184517_200025704644 [0,1,0,0,0,0|3,0,0]=4 303 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 2230a_100000184576_200025704644 [0,1,0,0,0,0|3,0,0]=4 304 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 269982a_100000184576_200025704644 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 34a_100000184576_200025704644 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 2230a_100000207500_200025704644 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 269982a_100000207500_200025704644 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [0,1,0,0,0,0|1,0,0]=2 309 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100000744650_200000210301 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000210814 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100000744650_200000210301 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000210814 [0,1,0,0,0,0|3,0,0]=4 313 B11R1.20 Cc1ccc(cc1)CN(C)C 270004a_100102631434_100000211033 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.20 Cc1ccc(cc1)CN(C)C 34a_100000744650_200000210301 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 2230a_100000744650_200025704644 [0,1,0,0,0,0|3,0,0]=4 316 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 269982a_100000744650_200025704644 [0,1,0,0,0,0|3,0,0]=4 317 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 34a_100000744650_200025704644 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.20 Cc1ccc(cc1)NC(C)C 34a_100000124888_100000210206 [0,1,0,0,0,0|2,0,1]=4 319 B11R1.20 Cc1ccc(cc1)OC(C)C 34a_100000210336_100000210206 [0,1,0,0,0,0|1,0,1]=3 320 B11R1.20 Cc1ccc(cc1)OC(C)C 7a_100000210336_100000210206 [0,1,0,0,0,0|1,0,1]=3 321 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000186775_100000210206 [0,1,0,0,0,0|1,1,1]=4 322 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000210206_100000186775 [0,1,0,0,0,0|1,1,1]=4 323 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [0,1,0,0,0,0|2,0,0]=3 324 B11R1.20 Cc1ccc(cn1)OC(C)C 34a_100000745506_100000210206 [0,1,0,0,0,0|2,0,1]=4 325 B11R1.20 Cc1ccc(cn1)OC(C)C 7a_100000745506_100000210206 [0,1,0,0,0,0|2,0,1]=4 326 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [0,1,0,0,0,0|2,0,0]=3 327 B11R1.20 Cc1ccc(nc1)OC(C)C 34a_100000759353_100000210206 [0,1,0,0,0,0|2,0,1]=4 328 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [0,1,0,0,0,0|2,0,0]=3 329 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [0,1,0,0,0,0|3,0,0]=4 330 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [0,1,0,0,0,0|3,0,0]=4 331 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [0,1,0,0,0,0|2,0,0]=3 332 B11R1.20 Oc1ccc(cc1)C=C(Br)Br 271570a_203496583355_200013992848 [0,1,0,0,0,0|3,0,0]=4 333 B11R1.20 Oc1ccc(cc1)C=C(F)F 271570a_203496583355_200009816947 [0,1,0,0,0,0|3,0,0]=4 334 B11R1.20 Oc1ccc(cc1)OC(F)F 271570a_203496583355_100000179047 [0,1,0,0,0,0|2,0,1]=4 335 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [0,1,0,0,0,0|1,0,0]=2 336 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [0,1,0,0,0,0|1,0,0]=2 337 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [0,1,0,0,0,0|1,0,0]=2 338 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [0,1,0,0,0,0|1,0,0]=2 339 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [0,1,0,0,0,0|1,0,0]=2 340 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Br 1458a_100020629044_200025704644 [0,1,0,0,0,0|2,0,0]=3 341 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200025704644 [0,1,0,0,0,0|2,0,0]=3 342 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Br 1458a_100010067268_200025704644 [0,1,0,0,0,0|2,0,0]=3 343 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200025704644 [0,1,0,0,0,0|2,0,0]=3 344 B11R1.20 [13CH3]C(=O)Cn1ccc(=O)cc1 1458a_200000238563_200025704644 [0,1,0,0,0,0|2,0,0]=3 345 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,1,0,0,0,0|1,0,0]=2 346 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,1,0,0,0,0|1,0,0]=2 347 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [0,1,0,0,0,0|2,0,0]=3 348 B11R1.36 CC(=C(C)c1ccccn1)C 271570a_200000049429_100011216584 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.36 CC(=C(C)c1cccnc1)C 271570a_200000049429_100000752921 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.36 CC(=C(C)c1ccncc1)C 271570a_200000049429_100000035832 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,1,0,0,0,0|1,0,0]=2 352 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [0,1,0,0,0,0|2,0,0]=3 353 B11R1.36 CC(=O)C(C)c1cnccn1 1458a_100000070787_200000703233 [0,1,0,0,0,0|3,0,0]=4 354 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,1,0,0,0,0|1,0,0]=2 355 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [0,1,0,0,0,0|1,0,0]=2 356 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [0,1,0,0,0,0|1,0,0]=2 357 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [0,1,0,0,0,0|1,0,0]=2 358 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,1,0,0,0,0|1,0,0]=2 359 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,1,0,0,0,0|1,0,0]=2 360 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [0,1,0,0,0,0|2,0,0]=3 361 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [0,1,0,0,0,0|2,0,1]=4 362 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210012_100000210206 [0,1,0,0,0,0|2,0,1]=4 363 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210572_200000210301 [0,1,0,0,0,0|2,0,1]=4 364 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210012_100000210206 [0,1,0,0,0,0|2,0,1]=4 365 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210572_200000210301 [0,1,0,0,0,0|2,0,1]=4 366 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210012_100000210206 [0,1,0,0,0,0|2,0,1]=4 367 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210572_200000210301 [0,1,0,0,0,0|2,0,1]=4 368 B11R1.36 CC(C)N(C)c1ccccc1 7a_100000210572_200000210301 [0,1,0,0,0,0|2,0,1]=4 369 B11R1.36 CC(C)N([13CH3])c1ccccc1 2230a_100000210572_200025704644 [0,1,0,0,0,0|2,0,1]=4 370 B11R1.36 CC(C)N([13CH3])c1ccccc1 269982a_100000210572_200025704644 [0,1,0,0,0,0|2,0,1]=4 371 B11R1.36 CC(C)N([13CH3])c1ccccc1 34a_100000210572_200025704644 [0,1,0,0,0,0|2,0,1]=4 372 B11R1.36 CC(C)N([13CH3])c1ccccc1 7a_100000210572_200025704644 [0,1,0,0,0,0|2,0,1]=4 373 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100000195388_200000210301 [0,1,0,0,0,0|3,0,0]=4 374 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100102631434_100000230085 [0,1,0,0,0,0|3,0,0]=4 375 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100000195388_200000210301 [0,1,0,0,0,0|3,0,0]=4 376 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100102631434_100000230085 [0,1,0,0,0,0|3,0,0]=4 377 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 2230a_100000195388_200025704644 [0,1,0,0,0,0|3,0,0]=4 378 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 269982a_100000195388_200025704644 [0,1,0,0,0,0|3,0,0]=4 379 B11R1.36 CN(C)C(=O)c1ccccc1 11a_100102631434_100000185807 [0,1,0,0,0,0|3,0,0]=4 380 B11R1.36 CN(C)C(=O)c1ccccc1 1626a_100102631434_100000185807 [0,1,0,0,0,0|3,0,0]=4 381 B11R1.36 CN(C)C(=O)c1ccccc1 240690a_100102631434_100000185807 [0,1,0,0,0,0|3,0,0]=4 382 B11R1.36 CN(C)C(=O)c1ccccc1 527a_100102631434_100000185807 [0,1,0,0,0,0|3,0,0]=4 383 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,1,0,0,0,0|1,0,0]=2 384 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,1,0,0,0,0|1,0,0]=2 385 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,1,0,0,0,0|1,0,0]=2 386 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [0,1,0,0,0,0|1,0,1]=3 387 B11R1.40 C#CC(=O)Cc1ccccn1 1458a_100000211873_100000721315 [0,1,0,0,0,0|2,0,1]=4 388 B11R1.40 C#CC(=O)Cc1cccnc1 1458a_100000211873_100000733263 [0,1,0,0,0,0|2,0,1]=4 389 B11R1.40 C#CC(=O)Cc1ccncc1 1458a_100000211873_100000705612 [0,1,0,0,0,0|2,0,1]=4 390 B11R1.40 C#CC(C)Nc1ccccc1 34a_100000106764_200000035995 [0,1,0,0,0,0|2,0,1]=4 391 B11R1.40 C#CC(C)Oc1ccccc1 34a_100000210340_200000035995 [0,1,0,0,0,0|1,0,1]=3 392 B11R1.40 C#CC(C)Oc1cccnc1 34a_100000210849_200000035995 [0,1,0,0,0,0|2,0,1]=4 393 B11R1.40 C#CC(C)Oc1ccncc1 34a_100000212176_200000035995 [0,1,0,0,0,0|2,0,1]=4 394 B11R1.40 C#CC(C)Sc1ccccc1 62a_200000035995_100000041952 [0,1,0,0,0,0|1,1,1]=4 395 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,1,0,0,0,0|1,0,1]=3 396 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [0,1,0,0,0,0|2,0,1]=4 397 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [0,1,0,0,0,0|2,0,1]=4 398 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [0,1,0,0,0,0|2,0,1]=4 399 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [0,1,0,0,0,0|1,0,1]=3 400 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [0,1,0,0,0,0|1,0,1]=3 401 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [0,1,0,0,0,0|1,1,1]=4 402 B11R1.40 CC(C#N)Oc1ccccc1 7a_100000210340_100000703298 [0,1,0,0,0,0|1,0,1]=3 403 B11R1.40 CC(C#N)Oc1cccnc1 7a_100000210849_100000703298 [0,1,0,0,0,0|2,0,1]=4 404 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000703298_100000041952 [0,1,0,0,0,0|1,1,1]=4 405 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000719477_100000703298 [0,1,0,0,0,0|1,1,1]=4 406 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [0,1,0,0,0,0|1,0,2]=4 407 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [0,1,0,0,0,0|0,0,2]=3 408 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [0,1,0,0,0,0|0,0,2]=3 409 B11R1.40 CC(CO)Oc1cccnc1 34a_100000210849_100012180447 [0,1,0,0,0,0|1,0,2]=4 410 B11R1.40 CC(CO)Oc1cccnc1 7a_100000210849_100012180447 [0,1,0,0,0,0|1,0,2]=4 411 B11R1.40 CC(CO)Oc1ccncc1 34a_100000212176_100012180447 [0,1,0,0,0,0|1,0,2]=4 412 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [0,1,0,0,0,0|0,1,2]=4 413 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,1,0,0,0,0|1,0,2]=4 414 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,1,0,0,0,0|1,0,2]=4 415 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [0,1,0,0,0,0|1,1,1]=4 416 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [0,1,0,0,0,0|1,1,1]=4 417 B11R1.40 CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210202 [0,1,0,0,0,0|2,0,0]=3 418 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,1,0,0,0,0|1,0,0]=2 419 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,1,0,0,0,0|2,0,0]=3 420 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,1,0,0,0,0|2,0,0]=3 421 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [0,1,0,0,0,0|2,0,0]=3 422 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [0,1,0,0,0,0|2,0,0]=3 423 B11R1.40 CCC(=O)Cc1cccnn1 1458a_100000210414_100016990269 [0,1,0,0,0,0|3,0,0]=4 424 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [0,1,0,0,0,0|2,0,0]=3 425 B11R1.40 CCC(=O)Cc1cnccn1 1458a_100000210414_100016995436 [0,1,0,0,0,0|3,0,0]=4 426 B11R1.40 CCC(=O)Cc1cncnc1 1458a_100000210414_100015196519 [0,1,0,0,0,0|3,0,0]=4 427 B11R1.40 CCC(=O)Cc1cncnc1 1458a_100000721575_100000210202 [0,1,0,0,0,0|3,0,0]=4 428 B11R1.40 CCC(=O)Cc1ncccn1 1458a_100000210414_100000703007 [0,1,0,0,0,0|3,0,0]=4 429 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,1,0,0,0,0|1,0,0]=2 430 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,1,0,0,0,0|1,0,0]=2 431 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,1,0,0,0,0|1,0,0]=2 432 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,1,0,0,0,0|1,0,0]=2 433 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [0,1,0,0,0,0|2,0,1]=4 434 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [0,1,0,0,0,0|1,0,1]=3 435 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [0,1,0,0,0,0|1,0,1]=3 436 B11R1.40 CCC(C)Oc1cccnc1 34a_100000210849_100011215416 [0,1,0,0,0,0|2,0,1]=4 437 B11R1.40 CCC(C)Oc1cccnc1 7a_100000210849_100000758301 [0,1,0,0,0,0|2,0,1]=4 438 B11R1.40 CCC(C)Oc1ccncc1 34a_100000212176_100011215416 [0,1,0,0,0,0|2,0,1]=4 439 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [0,1,0,0,0,0|1,1,1]=4 440 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [0,1,0,0,0,0|1,1,1]=4 441 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [0,1,0,0,0,0|3,0,0]=4 443 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [0,1,0,0,0,0|3,0,0]=4 444 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [0,1,0,0,0,0|3,0,0]=4 445 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [0,1,0,0,0,0|3,0,0]=4 446 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [0,1,0,0,0,0|3,0,0]=4 447 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [0,1,0,0,0,0|3,0,0]=4 448 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [0,1,0,0,0,0|3,0,0]=4 449 B11R1.40 CN(CF)Cc1ccccc1 269982a_100000186898_100015361967 [0,1,0,0,0,0|3,0,0]=4 450 B11R1.40 CNC(=O)C[n+]1ccccc1 11a_106832991635_200000086051 [0,1,0,0,0,0|2,0,0]=3 451 B11R1.40 CNC(=O)C[n+]1ccccc1 240690a_100102657272_200000086051 [0,1,0,0,0,0|2,0,0]=3 452 B11R1.40 CNC(=O)C[n+]1ccccc1 527a_100102657272_200000086051 [0,1,0,0,0,0|2,0,0]=3 453 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [0,1,0,0,0,0|2,0,0]=3 454 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [0,1,0,0,0,0|2,0,0]=3 455 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [0,1,0,0,0,0|2,0,0]=3 456 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [0,1,0,0,0,0|2,0,0]=3 457 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [0,1,0,0,0,0|2,0,0]=3 458 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [0,1,0,0,0,0|2,0,0]=3 459 B11R1.40 CNC(=O)Cc1cnccn1 11a_106832991635_100000726051 [0,1,0,0,0,0|3,0,0]=4 460 B11R1.40 CNC(=O)Cc1cnccn1 240690a_100102657272_100000726051 [0,1,0,0,0,0|3,0,0]=4 461 B11R1.40 CNC(=O)Cc1cnccn1 527a_100102657272_100000726051 [0,1,0,0,0,0|3,0,0]=4 462 B11R1.40 CNC(=O)Cc1cncnc1 11a_106832991635_100000721575 [0,1,0,0,0,0|3,0,0]=4 463 B11R1.40 CNC(=O)Cc1cncnc1 240690a_100102657272_100000721575 [0,1,0,0,0,0|3,0,0]=4 464 B11R1.40 CNC(=O)Cc1cncnc1 527a_100102657272_100000721575 [0,1,0,0,0,0|3,0,0]=4 465 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,1,0,0,0,0|1,0,0]=2 466 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [0,1,0,0,0,0|2,0,1]=4 467 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [0,1,0,0,0,0|2,0,1]=4 468 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,1,0,0,0,0|1,0,2]=4 469 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,1,0,0,0,0|1,0,2]=4 470 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,1,0,0,0,0|1,0,2]=4 471 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [0,1,0,0,0,0|0,1,2]=4 472 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [0,1,0,0,0,0|0,1,2]=4 473 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [0,1,0,0,0,0|1,1,1]=4 474 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [0,1,0,0,0,0|1,1,1]=4 475 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [0,1,0,0,0,0|0,1,2]=4 476 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [0,1,0,0,0,0|0,1,2]=4 477 B11R1.40 O=C(CF)C[n+]1ccccc1 1458a_200000086051_100015361967 [0,1,0,0,0,0|2,0,0]=3 478 B11R1.40 O=C(CF)Cc1ccccn1 1458a_100000233486_100015361967 [0,1,0,0,0,0|2,0,0]=3 479 B11R1.40 O=C(CF)Cc1cccnc1 1458a_100000737805_100015361967 [0,1,0,0,0,0|2,0,0]=3 480 B11R1.40 O=C(CF)Cc1cncnc1 1458a_100000721575_100015361967 [0,1,0,0,0,0|3,0,0]=4 481 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,1,0,0,0,0|1,0,0]=2 482 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [0,1,0,0,0,0|2,0,0]=3 483 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [0,1,0,0,0,0|2,0,0]=3 484 B11R1.40 O=C(CO)Cc1cccnn1 1458a_100000210174_100016990269 [0,1,0,0,0,0|3,0,0]=4 485 B11R1.40 O=C(CO)Cc1ccncc1 1458a_100000210174_100000705612 [0,1,0,0,0,0|2,0,0]=3 486 B11R1.40 O=C(CO)Cc1cnccn1 1458a_100000210174_100016995436 [0,1,0,0,0,0|3,0,0]=4 487 B11R1.40 O=C(CO)Cc1cncnc1 1458a_100000210174_100015196519 [0,1,0,0,0,0|3,0,0]=4 488 B11R1.40 O=C(CO)Cc1ncccn1 1458a_100000210174_100000703007 [0,1,0,0,0,0|3,0,0]=4 489 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [0,1,0,0,0,0|1,0,0]=2 490 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [0,1,0,0,0,0|1,0,0]=2 491 B11R1.86 CC(=Cc1c[nH]ccc1=O)C 271570a_100102525489_100009998708 [0,1,0,0,0,0|3,0,0]=4 492 B11R1.86 CC(=Cc1c[nH]ccc1=S)C 271570a_100102525489_200012280681 [0,1,0,0,0,0|3,0,0]=4 493 B11R1.86 CC(=Cc1ccc[nH]c1=O)C 271570a_100102525489_100000050042 [0,1,0,0,0,0|3,0,0]=4 494 B11R1.86 CC(=Cc1cccc[n+]1C)C 271570a_100102525489_100000212160 [0,1,0,0,0,0|3,0,0]=4 495 B11R1.86 CC(=Cc1cccc[n+]1[O-])C 271570a_100102525489_200000042595 [0,1,0,0,0,0|3,0,0]=4 496 B11R1.86 CC(=Cc1ccccc1Br)C 271570a_100102525489_100000695589 [0,1,0,0,0,0|2,0,0]=3 497 B11R1.86 CC(=Cc1ccccc1C)C 271570a_100102525489_100000210755 [0,1,0,0,0,0|2,0,0]=3 498 B11R1.86 CC(=Cc1ccccc1Cl)C 271570a_100102525489_100000764095 [0,1,0,0,0,0|2,0,0]=3 499 B11R1.86 CC(=Cc1ccccc1F)C 271570a_100102525489_100011215700 [0,1,0,0,0,0|2,0,0]=3 500 B11R1.86 CC(=Cc1ccccc1N)C 271570a_100102525489_100000210017 [0,1,0,0,0,0|2,0,0]=3 501 B11R1.86 CC(=Cc1ccccc1O)C 271570a_100102525489_100000739446 [0,1,0,0,0,0|2,0,0]=3 502 B11R1.86 CC(=Cc1cccnc1Br)C 271570a_100102525489_100010202626 [0,1,0,0,0,0|3,0,0]=4 503 B11R1.86 CC(=Cc1cccnc1C)C 271570a_100102525489_100000751574 [0,1,0,0,0,0|3,0,0]=4 504 B11R1.86 CC(=Cc1cccnc1Cl)C 271570a_100102525489_100000036424 [0,1,0,0,0,0|3,0,0]=4 505 B11R1.86 CC(=Cc1cccnc1F)C 271570a_100102525489_100009816115 [0,1,0,0,0,0|3,0,0]=4 506 B11R1.86 CC(=Cc1cccnc1N)C 271570a_100102525489_100000045569 [0,1,0,0,0,0|3,0,0]=4 507 B11R1.86 CC(=Cc1ccncc1Br)C 271570a_100102525489_100000726257 [0,1,0,0,0,0|3,0,0]=4 508 B11R1.86 CC(=Cc1ccncc1C)C 271570a_100102525489_100015191297 [0,1,0,0,0,0|3,0,0]=4 509 B11R1.86 CC(=Cc1ccncc1Cl)C 271570a_100102525489_100000708259 [0,1,0,0,0,0|3,0,0]=4 510 B11R1.86 CC(=Cc1ccncc1F)C 271570a_100102525489_100000047030 [0,1,0,0,0,0|3,0,0]=4 511 B11R1.86 CC(=Cc1ccncc1N)C 271570a_100102525489_100009815883 [0,1,0,0,0,0|3,0,0]=4 512 B11R1.86 CC(=Cc1ccncc1O)C 271570a_100102525489_100009817591 [0,1,0,0,0,0|3,0,0]=4 513 B11R1.86 CC(=Cc1cnccc1Br)C 271570a_100102525489_100010138639 [0,1,0,0,0,0|3,0,0]=4 514 B11R1.86 CC(=Cc1cnccc1C)C 271570a_100102525489_100000761580 [0,1,0,0,0,0|3,0,0]=4 515 B11R1.86 CC(=Cc1cnccc1Cl)C 271570a_100102525489_100009995489 [0,1,0,0,0,0|3,0,0]=4 516 B11R1.86 CC(=Cc1cnccc1F)C 271570a_100102525489_100009820683 [0,1,0,0,0,0|3,0,0]=4 517 B11R1.86 CC(=Cc1cnccc1N)C 271570a_100102525489_100000047001 [0,1,0,0,0,0|3,0,0]=4 518 B11R1.86 CC(=Cc1ncccc1Br)C 271570a_100102525489_100000696092 [0,1,0,0,0,0|3,0,0]=4 519 B11R1.86 CC(=Cc1ncccc1C)C 271570a_100102525489_100000751373 [0,1,0,0,0,0|3,0,0]=4 520 B11R1.86 CC(=Cc1ncccc1Cl)C 271570a_100102525489_100011356963 [0,1,0,0,0,0|3,0,0]=4 521 B11R1.86 CC(=Cc1ncccc1F)C 271570a_100102525489_100000685392 [0,1,0,0,0,0|3,0,0]=4 522 B11R1.86 CC(=Cc1ncccc1N)C 271570a_100102525489_100000688686 [0,1,0,0,0,0|3,0,0]=4 523 B11R1.86 CC(=Cc1ncccc1O)C 271570a_100102525489_100000034122 [0,1,0,0,0,0|3,0,0]=4 524 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [0,1,0,0,0,0|1,0,0]=2 525 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [0,1,0,0,0,0|1,0,0]=2 526 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [0,1,0,0,0,0|1,0,0]=2 527 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [0,1,0,0,0,0|1,0,0]=2 528 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [0,1,0,0,0,0|1,0,0]=2 529 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [0,1,0,0,0,0|1,0,0]=2 530 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [0,1,0,0,0,0|1,0,0]=2 531 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [0,1,0,0,0,0|1,0,0]=2 532 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [0,1,0,0,0,0|1,0,0]=2 533 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [0,1,0,0,0,0|1,0,0]=2 534 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [0,1,0,0,0,0|1,0,0]=2 535 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [0,1,0,0,0,0|1,0,0]=2 536 B11R1.86 CC(=O)Cc1cccnc1Br 1458a_100000070787_100010140945 [0,1,0,0,0,0|2,0,0]=3 537 B11R1.86 CC(=O)Cc1cccnc1C 1458a_100000070787_100000732876 [0,1,0,0,0,0|2,0,0]=3 538 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000070787_100000045678 [0,1,0,0,0,0|2,0,0]=3 539 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000093521_200000210301 [0,1,0,0,0,0|2,0,0]=3 540 B11R1.86 CC(=O)Cc1cccnc1F 1458a_100000070787_100000099810 [0,1,0,0,0,0|2,0,0]=3 541 B11R1.86 CC(=O)Cc1ccncc1C 1458a_100000070787_100020672808 [0,1,0,0,0,0|2,0,0]=3 542 B11R1.86 CC(=O)Cc1ccncc1Cl 1458a_100000070787_100000763264 [0,1,0,0,0,0|2,0,0]=3 543 B11R1.86 CC(=O)Cc1cnccc1C 1458a_100000070787_100000690890 [0,1,0,0,0,0|2,0,0]=3 544 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_100000070787_100025702911 [0,1,0,0,0,0|2,0,0]=3 545 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_200012357574_200000210301 [0,1,0,0,0,0|2,0,0]=3 546 B11R1.86 CC(=O)Cc1ncccc1C 1458a_100000070787_100000696600 [0,1,0,0,0,0|2,0,0]=3 547 B11R1.86 CC(=O)Cc1ncccc1C 1458a_200000722269_200000210301 [0,1,0,0,0,0|2,0,0]=3 548 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100000070787_100000099807 [0,1,0,0,0,0|2,0,0]=3 549 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100011998755_200000210301 [0,1,0,0,0,0|2,0,0]=3 550 B11R1.86 CC(=O)Cc1ncccc1F 1458a_100000070787_100000104219 [0,1,0,0,0,0|2,0,0]=3 551 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [0,1,0,0,0,0|2,0,0]=3 552 B11R1.86 CC(=O)Cn1ccccc1=O 1458a_100000189665_200000210301 [0,1,0,0,0,0|2,0,0]=3 553 B11R1.86 CC(=O)Cn1cccnc1=O 1458a_100000738077_200000210301 [0,1,0,0,0,0|3,0,0]=4 554 B11R1.86 CC(=O)Cn1ncccc1=O 1458a_100000238584_200000210301 [0,1,0,0,0,0|3,0,0]=4 555 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [0,1,0,0,0,0|1,0,0]=2 556 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [0,1,0,0,0,0|1,0,0]=2 557 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [0,1,0,0,0,0|1,0,0]=2 558 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [0,1,0,0,0,0|1,0,0]=2 559 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [0,1,0,0,0,0|1,0,0]=2 560 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [0,1,0,0,0,0|1,0,0]=2 561 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [0,1,0,0,0,0|1,0,0]=2 562 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [0,1,0,0,0,0|1,0,0]=2 563 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [0,1,0,0,0,0|1,0,0]=2 564 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [0,1,0,0,0,0|1,0,0]=2 565 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [0,1,0,0,0,0|1,0,0]=2 566 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [0,1,0,0,0,0|1,0,0]=2 567 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [0,1,0,0,0,0|1,0,0]=2 568 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [0,1,0,0,0,0|1,0,0]=2 569 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [0,1,0,0,0,0|1,0,0]=2 570 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [0,1,0,0,0,0|1,0,0]=2 571 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [0,1,0,0,0,0|1,0,0]=2 572 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [0,1,0,0,0,0|1,0,0]=2 573 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [0,1,0,0,0,0|1,0,0]=2 574 B11R1.86 CC(=O)Nc1ccncc1O 271570a_203496583355_100016132053 [0,1,0,0,0,0|2,0,0]=3 575 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [0,1,0,0,0,0|0,0,0]=1 576 B11R1.86 CC(=O)Oc1cccnc1O 271570a_203496583355_200009815371 [0,1,0,0,0,0|1,0,0]=2 577 B11R1.86 CC(C)Nc1ccccc1Br 34a_100000210017_100000210206 [0,1,0,0,0,0|2,0,1]=4 578 B11R1.86 CC(C)Nc1ccccc1Cl 34a_100000185783_100000210206 [0,1,0,0,0,0|2,0,1]=4 579 B11R1.86 CC(C)Nc1ccccc1F 34a_100000210422_100000210206 [0,1,0,0,0,0|2,0,1]=4 580 B11R1.86 CC(C)Nc1ccccc1I 34a_100000210053_100000210206 [0,1,0,0,0,0|2,0,1]=4 581 B11R1.86 CC(C)Nc1ccccc1O 271570a_203496583355_100000219599 [0,1,0,0,0,0|2,0,1]=4 582 B11R1.86 CC(C)Nc1ccccc1O 34a_100000185747_100000210206 [0,1,0,0,0,0|2,0,1]=4 583 B11R1.86 CC(C)Oc1cccc[n+]1[O-] 7a_100000211761_100000210206 [0,1,0,0,0,0|2,0,1]=4 584 B11R1.86 CC(C)Oc1ccccc1Br 34a_100000181306_100000210206 [0,1,0,0,0,0|1,0,1]=3 585 B11R1.86 CC(C)Oc1ccccc1Br 7a_100000181306_100000210206 [0,1,0,0,0,0|1,0,1]=3 586 B11R1.86 CC(C)Oc1ccccc1Cl 34a_100000210172_100000210206 [0,1,0,0,0,0|1,0,1]=3 587 B11R1.86 CC(C)Oc1ccccc1Cl 7a_100000210172_100000210206 [0,1,0,0,0,0|1,0,1]=3 588 B11R1.86 CC(C)Oc1ccccc1F 34a_100000210171_100000210206 [0,1,0,0,0,0|1,0,1]=3 589 B11R1.86 CC(C)Oc1ccccc1F 7a_100000210171_100000210206 [0,1,0,0,0,0|1,0,1]=3 590 B11R1.86 CC(C)Oc1ccccc1I 34a_100000739446_100000210206 [0,1,0,0,0,0|1,0,1]=3 591 B11R1.86 CC(C)Oc1ccccc1I 7a_100000739446_100000210206 [0,1,0,0,0,0|1,0,1]=3 592 B11R1.86 CC(C)Oc1ccccc1N 34a_100000185747_100000210206 [0,1,0,0,0,0|1,0,1]=3 593 B11R1.86 CC(C)Oc1ccccc1N 7a_100000185747_100000210206 [0,1,0,0,0,0|1,0,1]=3 594 B11R1.86 CC(C)Oc1ccccc1O 271570a_203496583355_100000173919 [0,1,0,0,0,0|1,0,1]=3 595 B11R1.86 CC(C)Oc1cccnc1Br 34a_100000744436_100000210206 [0,1,0,0,0,0|2,0,1]=4 596 B11R1.86 CC(C)Oc1cccnc1Br 7a_100000744436_100000210206 [0,1,0,0,0,0|2,0,1]=4 597 B11R1.86 CC(C)Oc1cccnc1Cl 34a_100000757616_100000210206 [0,1,0,0,0,0|2,0,1]=4 598 B11R1.86 CC(C)Oc1cccnc1Cl 7a_100000757616_100000210206 [0,1,0,0,0,0|2,0,1]=4 599 B11R1.86 CC(C)Oc1cccnc1F 34a_100000061740_100000210206 [0,1,0,0,0,0|2,0,1]=4 600 B11R1.86 CC(C)Oc1cccnc1F 7a_100000061740_100000210206 [0,1,0,0,0,0|2,0,1]=4 601 B11R1.86 CC(C)Oc1cccnc1I 34a_100000034122_100000210206 [0,1,0,0,0,0|2,0,1]=4 602 B11R1.86 CC(C)Oc1cccnc1I 7a_100000034122_100000210206 [0,1,0,0,0,0|2,0,1]=4 603 B11R1.86 CC(C)Oc1cccnc1N 34a_100000211975_100000210206 [0,1,0,0,0,0|2,0,1]=4 604 B11R1.86 CC(C)Oc1cccnc1N 7a_100000211975_100000210206 [0,1,0,0,0,0|2,0,1]=4 605 B11R1.86 CC(C)Oc1cccoc1=O 34a_100000077404_100000210206 [0,1,0,0,0,0|2,0,1]=4 606 B11R1.86 CC(C)Oc1cccoc1=O 7a_100000077404_100000210206 [0,1,0,0,0,0|2,0,1]=4 607 B11R1.86 CC(C)Oc1ccncc1Br 34a_100011996408_100000210206 [0,1,0,0,0,0|2,0,1]=4 608 B11R1.86 CC(C)Oc1ccncc1Cl 34a_100011997054_100000210206 [0,1,0,0,0,0|2,0,1]=4 609 B11R1.86 CC(C)Oc1ccncc1F 34a_200000081243_100000210206 [0,1,0,0,0,0|2,0,1]=4 610 B11R1.86 CC(C)Oc1cnccc1Cl 34a_100011996695_100000210206 [0,1,0,0,0,0|2,0,1]=4 611 B11R1.86 CC(C)Oc1cnccc1I 34a_100000050107_100000210206 [0,1,0,0,0,0|2,0,1]=4 612 B11R1.86 CC(C)Oc1cnccc1N 34a_100000753702_100000210206 [0,1,0,0,0,0|2,0,1]=4 613 B11R1.86 CC(C)Oc1coccc1=O 34a_100000060831_100000210206 [0,1,0,0,0,0|2,0,1]=4 614 B11R1.86 CC(C)Oc1ncccc1Cl 34a_100011290957_100000210206 [0,1,0,0,0,0|2,0,1]=4 615 B11R1.86 CC(C)Oc1ncccc1F 34a_100011219419_100000210206 [0,1,0,0,0,0|2,0,1]=4 616 B11R1.86 CC(C)Oc1ncccc1N 34a_100000746358_100000210206 [0,1,0,0,0,0|2,0,1]=4 617 B11R1.86 CC(C)Oc1ncccc1O 271570a_203496583355_200011465186 [0,1,0,0,0,0|2,0,1]=4 618 B11R1.86 CC(C)Sc1ccccc1Br 62a_100000210206_100000695589 [0,1,0,0,0,0|1,1,1]=4 619 B11R1.86 CC(C)Sc1ccccc1Br 62a_100000695589_100000210206 [0,1,0,0,0,0|1,1,1]=4 620 B11R1.86 CC(C)Sc1ccccc1Cl 62a_100000210206_100000764095 [0,1,0,0,0,0|1,1,1]=4 621 B11R1.86 CC(C)Sc1ccccc1Cl 62a_100000764095_100000210206 [0,1,0,0,0,0|1,1,1]=4 622 B11R1.86 CC(C)Sc1ccccc1F 62a_100000210206_100011215700 [0,1,0,0,0,0|1,1,1]=4 623 B11R1.86 CC(C)Sc1ccccc1F 62a_100011215700_100000210206 [0,1,0,0,0,0|1,1,1]=4 624 B11R1.86 CC(C)Sc1ccccc1N 62a_100000210017_100000210206 [0,1,0,0,0,0|1,1,1]=4 625 B11R1.86 CC(C)Sc1ccccc1N 62a_100000210206_100000210017 [0,1,0,0,0,0|1,1,1]=4 626 B11R1.86 CC(C)Sc1ccccc1O 62a_100000210206_100000739446 [0,1,0,0,0,0|1,1,1]=4 627 B11R1.86 CC(C)Sc1ccccc1O 62a_100000739446_100000210206 [0,1,0,0,0,0|1,1,1]=4 628 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100000184654_200000210301 [0,1,0,0,0,0|3,0,0]=4 629 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100102631434_100000184730 [0,1,0,0,0,0|3,0,0]=4 630 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100000184654_200000210301 [0,1,0,0,0,0|3,0,0]=4 631 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100102631434_100000184730 [0,1,0,0,0,0|3,0,0]=4 632 B11R1.86 CN(C)Cc1ccccc1Br 270004a_100102631434_100000211189 [0,1,0,0,0,0|3,0,0]=4 633 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100000184507_200000210301 [0,1,0,0,0,0|3,0,0]=4 634 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100102631434_100000187162 [0,1,0,0,0,0|3,0,0]=4 635 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100000184507_200000210301 [0,1,0,0,0,0|3,0,0]=4 636 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100102631434_100000187162 [0,1,0,0,0,0|3,0,0]=4 637 B11R1.86 CN(C)Cc1ccccc1Cl 270004a_100102631434_100000210073 [0,1,0,0,0,0|3,0,0]=4 638 B11R1.86 CN(C)Cc1ccccc1F 2230a_100000742528_200000210301 [0,1,0,0,0,0|3,0,0]=4 639 B11R1.86 CN(C)Cc1ccccc1F 2230a_100102631434_100000211605 [0,1,0,0,0,0|3,0,0]=4 640 B11R1.86 CN(C)Cc1ccccc1F 269982a_100000742528_200000210301 [0,1,0,0,0,0|3,0,0]=4 641 B11R1.86 CN(C)Cc1ccccc1F 269982a_100102631434_100000211605 [0,1,0,0,0,0|3,0,0]=4 642 B11R1.86 CN(C)Cc1ccccc1F 270004a_100102631434_100000210811 [0,1,0,0,0,0|3,0,0]=4 643 B11R1.86 CN(C)Cc1ccccc1F 34a_100000742528_200000210301 [0,1,0,0,0,0|3,0,0]=4 644 B11R1.86 CN(C)Cc1ccccc1I 2230a_100102631434_100011215278 [0,1,0,0,0,0|3,0,0]=4 645 B11R1.86 CN(C)Cc1ccccc1I 269982a_100102631434_100011215278 [0,1,0,0,0,0|3,0,0]=4 646 B11R1.86 CN(C)Cc1ccccc1I 270004a_100102631434_100000010305 [0,1,0,0,0,0|3,0,0]=4 647 B11R1.86 CN(C)Cc1ccccc1O 2230a_100015189988_200000210301 [0,1,0,0,0,0|3,0,0]=4 648 B11R1.86 CN(C)Cc1ccccc1O 269982a_100015189988_200000210301 [0,1,0,0,0,0|3,0,0]=4 649 B11R1.86 CN(C)Cc1ccccc1O 271570a_203496583355_100000174758 [0,1,0,0,0,0|3,0,0]=4 650 B11R1.86 CN([13CH3])Cc1ccccc1Br 2230a_100000184654_200025704644 [0,1,0,0,0,0|3,0,0]=4 651 B11R1.86 CN([13CH3])Cc1ccccc1Br 269982a_100000184654_200025704644 [0,1,0,0,0,0|3,0,0]=4 652 B11R1.86 CN([13CH3])Cc1ccccc1Cl 2230a_100000184507_200025704644 [0,1,0,0,0,0|3,0,0]=4 653 B11R1.86 CN([13CH3])Cc1ccccc1Cl 269982a_100000184507_200025704644 [0,1,0,0,0,0|3,0,0]=4 654 B11R1.86 CN([13CH3])Cc1ccccc1F 2230a_100000742528_200025704644 [0,1,0,0,0,0|3,0,0]=4 655 B11R1.86 CN([13CH3])Cc1ccccc1F 269982a_100000742528_200025704644 [0,1,0,0,0,0|3,0,0]=4 656 B11R1.86 CN([13CH3])Cc1ccccc1F 34a_100000742528_200025704644 [0,1,0,0,0,0|3,0,0]=4 657 B11R1.86 CN([13CH3])Cc1ccccc1O 2230a_100015189988_200025704644 [0,1,0,0,0,0|3,0,0]=4 658 B11R1.86 CN([13CH3])Cc1ccccc1O 269982a_100015189988_200025704644 [0,1,0,0,0,0|3,0,0]=4 659 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [0,1,0,0,0,0|1,0,0]=2 660 B11R1.86 Cc1ccccc1CN(C)C 2230a_100000184421_200000210301 [0,1,0,0,0,0|3,0,0]=4 661 B11R1.86 Cc1ccccc1CN(C)C 2230a_100102631434_100000211839 [0,1,0,0,0,0|3,0,0]=4 662 B11R1.86 Cc1ccccc1CN(C)C 269982a_100000184421_200000210301 [0,1,0,0,0,0|3,0,0]=4 663 B11R1.86 Cc1ccccc1CN(C)C 269982a_100102631434_100000211839 [0,1,0,0,0,0|3,0,0]=4 664 B11R1.86 Cc1ccccc1CN(C)C 270004a_100102631434_100000211143 [0,1,0,0,0,0|3,0,0]=4 665 B11R1.86 Cc1ccccc1CN(C)[13CH3] 2230a_100000184421_200025704644 [0,1,0,0,0,0|3,0,0]=4 666 B11R1.86 Cc1ccccc1CN(C)[13CH3] 269982a_100000184421_200025704644 [0,1,0,0,0,0|3,0,0]=4 667 B11R1.86 Cc1ccccc1NC(C)C 34a_100015192222_100000210206 [0,1,0,0,0,0|2,0,1]=4 668 B11R1.86 Cc1ccccc1OC(C)C 34a_100000210338_100000210206 [0,1,0,0,0,0|1,0,1]=3 669 B11R1.86 Cc1ccccc1OC(C)C 7a_100000210338_100000210206 [0,1,0,0,0,0|1,0,1]=3 670 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210206_100000210755 [0,1,0,0,0,0|1,1,1]=4 671 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210755_100000210206 [0,1,0,0,0,0|1,1,1]=4 672 B11R1.86 Cc1cccnc1CC(=O)[13CH3] 1458a_200000722269_200025704644 [0,1,0,0,0,0|2,0,0]=3 673 B11R1.86 Cc1ccncc1OC(C)C 34a_100011997053_100000210206 [0,1,0,0,0,0|2,0,1]=4 674 B11R1.86 Cc1ccncc1OC(C)C 7a_100011997053_100000210206 [0,1,0,0,0,0|2,0,1]=4 675 B11R1.86 Cc1cnccc1OC(C)C 34a_100000694293_100000210206 [0,1,0,0,0,0|2,0,1]=4 676 B11R1.86 Cc1ncccc1OC(C)C 34a_100000745507_100000210206 [0,1,0,0,0,0|2,0,1]=4 677 B11R1.86 Cc1ncccc1OC(C)C 7a_100000745507_100000210206 [0,1,0,0,0,0|2,0,1]=4 678 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [0,1,0,0,0,0|2,0,0]=3 679 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [0,1,0,0,0,0|2,0,0]=3 680 B11R1.86 Oc1ccccc1OC(F)F 271570a_203496583355_100000742724 [0,1,0,0,0,0|2,0,1]=4 681 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [0,1,0,0,0,0|1,0,0]=2 682 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [0,1,0,0,0,0|1,0,0]=2 683 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [0,1,0,0,0,0|1,0,0]=2 684 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [0,1,0,0,0,0|1,0,0]=2 685 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [0,1,0,0,0,0|1,0,0]=2 686 B11R1.86 [13CH3]C(=O)Cc1cccnc1Cl 1458a_100000093521_200025704644 [0,1,0,0,0,0|2,0,0]=3 687 B11R1.86 [13CH3]C(=O)Cc1ncccc1Br 1458a_200012357574_200025704644 [0,1,0,0,0,0|2,0,0]=3 688 B11R1.86 [13CH3]C(=O)Cc1ncccc1Cl 1458a_100011998755_200025704644 [0,1,0,0,0,0|2,0,0]=3 689 B11R1.86 [13CH3]C(=O)Cn1ccccc1=O 1458a_100000189665_200025704644 [0,1,0,0,0,0|2,0,0]=3 690 B11R1.86 [13CH3]C(=O)Cn1cccnc1=O 1458a_100000738077_200025704644 [0,1,0,0,0,0|3,0,0]=4 691 B11R1.86 [13CH3]C(=O)Cn1ncccc1=O 1458a_100000238584_200025704644 [0,1,0,0,0,0|3,0,0]=4 692 B11R1.157 CC(=Cc1cc(ccn1)C)C 271570a_100102525489_100000750283 [0,1,0,0,0,0|3,0,0]=4 693 B11R1.157 CC(=Cc1cc(ccn1)Cl)C 271570a_100102525489_100010167805 [0,1,0,0,0,0|3,0,0]=4 694 B11R1.157 CC(=Cc1cc(ccn1)F)C 271570a_100102525489_100009817058 [0,1,0,0,0,0|3,0,0]=4 695 B11R1.157 CC(=Cc1cc(ccn1)N)C 271570a_100102525489_100009814236 [0,1,0,0,0,0|3,0,0]=4 696 B11R1.157 CC(=Cc1cc(ccn1)O)C 271570a_100102525489_100000762945 [0,1,0,0,0,0|3,0,0]=4 697 B11R1.157 CC(=Cc1cc[nH]c(=O)c1)C 271570a_100102525489_100009816521 [0,1,0,0,0,0|3,0,0]=4 698 B11R1.157 CC(=Cc1ccc[n+](c1)C)C 271570a_100102525489_100009996589 [0,1,0,0,0,0|3,0,0]=4 699 B11R1.157 CC(=Cc1ccc[n+](c1)[O-])C 271570a_100102525489_100009815978 [0,1,0,0,0,0|3,0,0]=4 700 B11R1.157 CC(=Cc1cccc(=O)[nH]1)C 271570a_100102525489_100000761760 [0,1,0,0,0,0|3,0,0]=4 701 B11R1.157 CC(=Cc1cccc(c1)Br)C 271570a_100102525489_100000691529 [0,1,0,0,0,0|2,0,0]=3 702 B11R1.157 CC(=Cc1cccc(c1)C)C 271570a_100102525489_100011215228 [0,1,0,0,0,0|2,0,0]=3 703 B11R1.157 CC(=Cc1cccc(c1)Cl)C 271570a_100102525489_100000699651 [0,1,0,0,0,0|2,0,0]=3 704 B11R1.157 CC(=Cc1cccc(c1)F)C 271570a_100102525489_100000685547 [0,1,0,0,0,0|2,0,0]=3 705 B11R1.157 CC(=Cc1cccc(c1)N)C 271570a_100102525489_100000210019 [0,1,0,0,0,0|2,0,0]=3 706 B11R1.157 CC(=Cc1cccc(c1)O)C 271570a_100102525489_100000211634 [0,1,0,0,0,0|2,0,0]=3 707 B11R1.157 CC(=Cc1cccc(c1)[S])C 271570a_100102525489_114929384022 [0,1,0,0,0,0|2,0,0]=3 708 B11R1.157 CC(=Cc1cccc(n1)Br)C 271570a_100102525489_100000684672 [0,1,0,0,0,0|3,0,0]=4 709 B11R1.157 CC(=Cc1cccc(n1)C)C 271570a_100102525489_100000742759 [0,1,0,0,0,0|3,0,0]=4 710 B11R1.157 CC(=Cc1cccc(n1)F)C 271570a_100102525489_100009815982 [0,1,0,0,0,0|3,0,0]=4 711 B11R1.157 CC(=Cc1cccc(n1)N)C 271570a_100102525489_100000740741 [0,1,0,0,0,0|3,0,0]=4 712 B11R1.157 CC(=Cc1ccnc(c1)Br)C 271570a_100102525489_100009814637 [0,1,0,0,0,0|3,0,0]=4 713 B11R1.157 CC(=Cc1ccnc(c1)C)C 271570a_100102525489_100000758586 [0,1,0,0,0,0|3,0,0]=4 714 B11R1.157 CC(=Cc1ccnc(c1)Cl)C 271570a_100102525489_100000035001 [0,1,0,0,0,0|3,0,0]=4 715 B11R1.157 CC(=Cc1ccnc(c1)F)C 271570a_100102525489_100009816116 [0,1,0,0,0,0|3,0,0]=4 716 B11R1.157 CC(=Cc1ccnc(c1)N)C 271570a_100102525489_100000744379 [0,1,0,0,0,0|3,0,0]=4 717 B11R1.157 CC(=Cc1cncc(c1)Br)C 271570a_100102525489_100000728054 [0,1,0,0,0,0|3,0,0]=4 718 B11R1.157 CC(=Cc1cncc(c1)C)C 271570a_100102525489_100000760492 [0,1,0,0,0,0|3,0,0]=4 719 B11R1.157 CC(=Cc1cncc(c1)Cl)C 271570a_100102525489_100000049639 [0,1,0,0,0,0|3,0,0]=4 720 B11R1.157 CC(=Cc1cncc(c1)F)C 271570a_100102525489_100000744099 [0,1,0,0,0,0|3,0,0]=4 721 B11R1.157 CC(=Cc1cncc(c1)N)C 271570a_100102525489_100000687067 [0,1,0,0,0,0|3,0,0]=4 722 B11R1.157 CC(=Cc1cncc(c1)O)C 271570a_100102525489_100000754920 [0,1,0,0,0,0|3,0,0]=4 723 B11R1.157 CC(=O)Cc1cc(ccn1)Br 1458a_100000070787_100010173614 [0,1,0,0,0,0|2,0,0]=3 724 B11R1.157 CC(=O)Cc1cc(ccn1)C 1458a_100000070787_100000718516 [0,1,0,0,0,0|2,0,0]=3 725 B11R1.157 CC(=O)Cc1cc(ccn1)Cl 1458a_100000070787_100016988179 [0,1,0,0,0,0|2,0,0]=3 726 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [0,1,0,0,0,0|1,0,0]=2 727 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [0,1,0,0,0,0|1,0,0]=2 728 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [0,1,0,0,0,0|1,0,0]=2 729 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [0,1,0,0,0,0|1,0,0]=2 730 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [0,1,0,0,0,0|1,0,0]=2 731 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [0,1,0,0,0,0|1,0,0]=2 732 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [0,1,0,0,0,0|1,0,0]=2 733 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [0,1,0,0,0,0|1,0,0]=2 734 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [0,1,0,0,0,0|1,0,0]=2 735 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [0,1,0,0,0,0|1,0,0]=2 736 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [0,1,0,0,0,0|1,0,0]=2 737 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [0,1,0,0,0,0|1,0,0]=2 738 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [0,1,0,0,0,0|1,0,0]=2 739 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100000070787_100009889011 [0,1,0,0,0,0|2,0,0]=3 740 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100010201708_200000210301 [0,1,0,0,0,0|2,0,0]=3 741 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100000070787_100000757606 [0,1,0,0,0,0|2,0,0]=3 742 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100012001110_200000210301 [0,1,0,0,0,0|2,0,0]=3 743 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000070787_100000086093 [0,1,0,0,0,0|2,0,0]=3 744 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_200000210301 [0,1,0,0,0,0|2,0,0]=3 745 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000070787_100009819644 [0,1,0,0,0,0|2,0,0]=3 746 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000096803_200000210301 [0,1,0,0,0,0|2,0,0]=3 747 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100000070787_100010243470 [0,1,0,0,0,0|2,0,0]=3 748 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100010126891_200000210301 [0,1,0,0,0,0|2,0,0]=3 749 B11R1.157 CC(=O)Cc1ccnc(c1)C 1458a_100000070787_200020672517 [0,1,0,0,0,0|2,0,0]=3 750 B11R1.157 CC(=O)Cc1ccnc(c1)Cl 1458a_100000070787_100000764220 [0,1,0,0,0,0|2,0,0]=3 751 B11R1.157 CC(=O)Cc1ccnc(n1)Cl 1458a_100000070787_100000099655 [0,1,0,0,0,0|3,0,0]=4 752 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000070787_100011740620 [0,1,0,0,0,0|2,0,0]=3 753 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000239331_200000210301 [0,1,0,0,0,0|2,0,0]=3 754 B11R1.157 CC(=O)Cc1cncc(c1)C 1458a_100000070787_100000716715 [0,1,0,0,0,0|2,0,0]=3 755 B11R1.157 CC(=O)Cc1cncc(c1)Cl 1458a_100000070787_100016992070 [0,1,0,0,0,0|2,0,0]=3 756 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100000070787_100000725299 [0,1,0,0,0,0|2,0,0]=3 757 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100011667516_200000210301 [0,1,0,0,0,0|2,0,0]=3 758 B11R1.157 CC(=O)Nc1cc(ccn1)O 271570a_203496583355_100012362434 [0,1,0,0,0,0|2,0,0]=3 759 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [0,1,0,0,0,0|1,0,0]=2 760 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [0,1,0,0,0,0|1,0,0]=2 761 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [0,1,0,0,0,0|1,0,0]=2 762 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [0,1,0,0,0,0|1,0,0]=2 763 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [0,1,0,0,0,0|1,0,0]=2 764 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [0,1,0,0,0,0|1,0,0]=2 765 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [0,1,0,0,0,0|1,0,0]=2 766 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [0,1,0,0,0,0|1,0,0]=2 767 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [0,1,0,0,0,0|1,0,0]=2 768 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [0,1,0,0,0,0|1,0,0]=2 769 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [0,1,0,0,0,0|1,0,0]=2 770 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [0,1,0,0,0,0|1,0,0]=2 771 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [0,1,0,0,0,0|1,0,0]=2 772 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [0,1,0,0,0,0|1,0,0]=2 773 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [0,1,0,0,0,0|1,0,0]=2 774 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [0,1,0,0,0,0|1,0,0]=2 775 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [0,1,0,0,0,0|1,0,0]=2 776 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [0,1,0,0,0,0|1,0,0]=2 777 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [0,1,0,0,0,0|1,0,0]=2 778 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [0,1,0,0,0,0|1,0,0]=2 779 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [0,1,0,0,0,0|1,0,0]=2 780 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [0,1,0,0,0,0|1,0,0]=2 781 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [0,1,0,0,0,0|1,0,0]=2 782 B11R1.157 CC(=O)Nc1cccc(n1)O 271570a_203496583355_200011307899 [0,1,0,0,0,0|2,0,0]=3 783 B11R1.157 CC(=O)Nc1ccnc(c1)O 271570a_203496583355_100000238608 [0,1,0,0,0,0|2,0,0]=3 784 B11R1.157 CC(=O)Nc1cncc(c1)O 271570a_203496583355_100012351681 [0,1,0,0,0,0|2,0,0]=3 785 B11R1.157 CC(=O)Nc1cncc(n1)O 271570a_203496583355_100000703374 [0,1,0,0,0,0|3,0,0]=4 786 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [0,1,0,0,0,0|0,0,0]=1 787 B11R1.157 CC(C)Cc1cccc(c1)O 271570a_203496583355_100010883412 [0,1,0,0,0,0|2,0,1]=4 788 B11R1.157 CC(C)Nc1cccc(c1)Br 34a_100000210019_100000210206 [0,1,0,0,0,0|2,0,1]=4 789 B11R1.157 CC(C)Nc1cccc(c1)Cl 34a_100000185859_100000210206 [0,1,0,0,0,0|2,0,1]=4 790 B11R1.157 CC(C)Nc1cccc(c1)F 34a_100000210047_100000210206 [0,1,0,0,0,0|2,0,1]=4 791 B11R1.157 CC(C)Nc1cccc(c1)I 34a_100000211102_100000210206 [0,1,0,0,0,0|2,0,1]=4 792 B11R1.157 CC(C)Nc1cccc(c1)O 271570a_203496583355_100000219649 [0,1,0,0,0,0|2,0,1]=4 793 B11R1.157 CC(C)Nc1cccc(c1)O 34a_100000210217_100000210206 [0,1,0,0,0,0|2,0,1]=4 794 B11R1.157 CC(C)Oc1cc(ccn1)O 271570a_203496583355_100010247003 [0,1,0,0,0,0|2,0,1]=4 795 B11R1.157 CC(C)Oc1cc[nH]c(=O)c1 34a_100000032262_100000210206 [0,1,0,0,0,0|2,0,1]=4 796 B11R1.157 CC(C)Oc1ccc[n+](c1)[O-] 34a_100000039713_100000210206 [0,1,0,0,0,0|2,0,1]=4 797 B11R1.157 CC(C)Oc1ccc[n+](c1)[O-] 7a_100000039713_100000210206 [0,1,0,0,0,0|2,0,1]=4 798 B11R1.157 CC(C)Oc1cccc(=O)[nH]1 34a_100000033347_100000210206 [0,1,0,0,0,0|2,0,1]=4 799 B11R1.157 CC(C)Oc1cccc(c1)Br 34a_100000210342_100000210206 [0,1,0,0,0,0|1,0,1]=3 800 B11R1.157 CC(C)Oc1cccc(c1)Br 7a_100000210342_100000210206 [0,1,0,0,0,0|1,0,1]=3 801 B11R1.157 CC(C)Oc1cccc(c1)Cl 34a_100000210295_100000210206 [0,1,0,0,0,0|1,0,1]=3 802 B11R1.157 CC(C)Oc1cccc(c1)Cl 7a_100000210295_100000210206 [0,1,0,0,0,0|1,0,1]=3 803 B11R1.157 CC(C)Oc1cccc(c1)F 34a_100000210426_100000210206 [0,1,0,0,0,0|1,0,1]=3 804 B11R1.157 CC(C)Oc1cccc(c1)F 7a_100000210426_100000210206 [0,1,0,0,0,0|1,0,1]=3 805 B11R1.157 CC(C)Oc1cccc(c1)I 34a_100000211634_100000210206 [0,1,0,0,0,0|1,0,1]=3 806 B11R1.157 CC(C)Oc1cccc(c1)I 7a_100000211634_100000210206 [0,1,0,0,0,0|1,0,1]=3 807 B11R1.157 CC(C)Oc1cccc(c1)N 34a_100000210217_100000210206 [0,1,0,0,0,0|1,0,1]=3 808 B11R1.157 CC(C)Oc1cccc(c1)O 271570a_203496583355_100000170003 [0,1,0,0,0,0|1,0,1]=3 809 B11R1.157 CC(C)Oc1cccc(n1)F 34a_100011432558_100000210206 [0,1,0,0,0,0|2,0,1]=4 810 B11R1.157 CC(C)Oc1cccc(n1)O 271570a_203496583355_100000703025 [0,1,0,0,0,0|2,0,1]=4 811 B11R1.157 CC(C)Oc1ccnc(c1)Cl 34a_100000762945_100000210206 [0,1,0,0,0,0|2,0,1]=4 812 B11R1.157 CC(C)Oc1ccnc(c1)F 34a_100000732698_100000210206 [0,1,0,0,0,0|2,0,1]=4 813 B11R1.157 CC(C)Oc1ccnc(c1)N 34a_100011834064_100000210206 [0,1,0,0,0,0|2,0,1]=4 814 B11R1.157 CC(C)Oc1cncc(c1)Br 34a_100000754920_100000210206 [0,1,0,0,0,0|2,0,1]=4 815 B11R1.157 CC(C)Oc1cncc(c1)Br 7a_100000754920_100000210206 [0,1,0,0,0,0|2,0,1]=4 816 B11R1.157 CC(C)Oc1cncc(c1)Cl 7a_100000032511_100000210206 [0,1,0,0,0,0|2,0,1]=4 817 B11R1.157 CC(C)Oc1cncc(c1)F 34a_100011830296_100000210206 [0,1,0,0,0,0|2,0,1]=4 818 B11R1.157 CC(C)Oc1cncc(c1)F 7a_100011830296_100000210206 [0,1,0,0,0,0|2,0,1]=4 819 B11R1.157 CC(C)Oc1cncc(c1)N 34a_100011997051_100000210206 [0,1,0,0,0,0|2,0,1]=4 820 B11R1.157 CC(C)Oc1cncc(c1)O 271570a_203496583355_100012029599 [0,1,0,0,0,0|2,0,1]=4 821 B11R1.157 CC(C)Sc1cccc(c1)Br 62a_100000210206_100000691529 [0,1,0,0,0,0|1,1,1]=4 822 B11R1.157 CC(C)Sc1cccc(c1)Br 62a_100000691529_100000210206 [0,1,0,0,0,0|1,1,1]=4 823 B11R1.157 CC(C)Sc1cccc(c1)Cl 62a_100000210206_100000699651 [0,1,0,0,0,0|1,1,1]=4 824 B11R1.157 CC(C)Sc1cccc(c1)Cl 62a_100000699651_100000210206 [0,1,0,0,0,0|1,1,1]=4 825 B11R1.157 CC(C)Sc1cccc(c1)F 62a_100000210206_100000685547 [0,1,0,0,0,0|1,1,1]=4 826 B11R1.157 CC(C)Sc1cccc(c1)F 62a_100000685547_100000210206 [0,1,0,0,0,0|1,1,1]=4 827 B11R1.157 CC(C)Sc1cccc(c1)N 62a_100000210019_100000210206 [0,1,0,0,0,0|1,1,1]=4 828 B11R1.157 CC(C)Sc1cccc(c1)N 62a_100000210206_100000210019 [0,1,0,0,0,0|1,1,1]=4 829 B11R1.157 CC(C)Sc1cccc(c1)O 271570a_203496583355_100009815759 [0,1,0,0,0,0|1,1,1]=4 830 B11R1.157 CC(C)Sc1cccc(c1)O 62a_100000210206_100000211634 [0,1,0,0,0,0|1,1,1]=4 831 B11R1.157 CC(C)Sc1cccc(c1)[S] 62a_100000210206_114929384022 [0,1,0,0,0,0|1,1,1]=4 832 B11R1.157 CC(C)Sc1cccc(c1)[S] 62a_114929384022_100000210206 [0,1,0,0,0,0|1,1,1]=4 833 B11R1.157 CN(C)Cc1cccc(c1)Br 2230a_100000187585_200000210301 [0,1,0,0,0,0|3,0,0]=4 834 B11R1.157 CN(C)Cc1cccc(c1)Br 2230a_100102631434_100000698116 [0,1,0,0,0,0|3,0,0]=4 835 B11R1.157 CN(C)Cc1cccc(c1)Br 269982a_100000187585_200000210301 [0,1,0,0,0,0|3,0,0]=4 836 B11R1.157 CN(C)Cc1cccc(c1)Br 269982a_100102631434_100000211773 [0,1,0,0,0,0|3,0,0]=4 837 B11R1.157 CN(C)Cc1cccc(c1)Br 270004a_100102631434_100000210085 [0,1,0,0,0,0|3,0,0]=4 838 B11R1.157 CN(C)Cc1cccc(c1)Cl 2230a_100020629429_200000210301 [0,1,0,0,0,0|3,0,0]=4 839 B11R1.157 CN(C)Cc1cccc(c1)Cl 2230a_100102631434_100000181238 [0,1,0,0,0,0|3,0,0]=4 840 B11R1.157 CN(C)Cc1cccc(c1)Cl 269982a_100020629429_200000210301 [0,1,0,0,0,0|3,0,0]=4 841 B11R1.157 CN(C)Cc1cccc(c1)Cl 269982a_100102631434_100000181238 [0,1,0,0,0,0|3,0,0]=4 842 B11R1.157 CN(C)Cc1cccc(c1)Cl 270004a_100102631434_100000210801 [0,1,0,0,0,0|3,0,0]=4 843 B11R1.157 CN(C)Cc1cccc(c1)F 2230a_100000184398_200000210301 [0,1,0,0,0,0|3,0,0]=4 844 B11R1.157 CN(C)Cc1cccc(c1)F 2230a_100102631434_100000230114 [0,1,0,0,0,0|3,0,0]=4 845 B11R1.157 CN(C)Cc1cccc(c1)F 269982a_100000184398_200000210301 [0,1,0,0,0,0|3,0,0]=4 846 B11R1.157 CN(C)Cc1cccc(c1)F 269982a_100102631434_100000230114 [0,1,0,0,0,0|3,0,0]=4 847 B11R1.157 CN(C)Cc1cccc(c1)F 270004a_100102631434_100000210812 [0,1,0,0,0,0|3,0,0]=4 848 B11R1.157 CN(C)Cc1cccc(c1)F 34a_100000184398_200000210301 [0,1,0,0,0,0|3,0,0]=4 849 B11R1.157 CN(C)Cc1cccc(c1)I 2230a_100102631434_100011218688 [0,1,0,0,0,0|3,0,0]=4 850 B11R1.157 CN(C)Cc1cccc(c1)I 269982a_100102631434_100011218688 [0,1,0,0,0,0|3,0,0]=4 851 B11R1.157 CN(C)Cc1cccc(c1)I 270004a_100102631434_100000014684 [0,1,0,0,0,0|3,0,0]=4 852 B11R1.157 CN(C)Cc1cccc(c1)O 2230a_100000207540_200000210301 [0,1,0,0,0,0|3,0,0]=4 853 B11R1.157 CN(C)Cc1cccc(c1)O 2230a_100102631434_100011660834 [0,1,0,0,0,0|3,0,0]=4 854 B11R1.157 CN(C)Cc1cccc(c1)O 269982a_100000207540_200000210301 [0,1,0,0,0,0|3,0,0]=4 855 B11R1.157 CN(C)Cc1cccc(c1)O 269982a_100102631434_100000084143 [0,1,0,0,0,0|3,0,0]=4 856 B11R1.157 CN(C)Cc1cccc(c1)O 270004a_100102631434_100000188321 [0,1,0,0,0,0|3,0,0]=4 857 B11R1.157 CN(C)Cc1cccc(c1)O 271570a_203496583355_100000174759 [0,1,0,0,0,0|3,0,0]=4 858 B11R1.157 CN([13CH3])Cc1cccc(c1)Br 2230a_100000187585_200025704644 [0,1,0,0,0,0|3,0,0]=4 859 B11R1.157 CN([13CH3])Cc1cccc(c1)Br 269982a_100000187585_200025704644 [0,1,0,0,0,0|3,0,0]=4 860 B11R1.157 CN([13CH3])Cc1cccc(c1)Cl 2230a_100020629429_200025704644 [0,1,0,0,0,0|3,0,0]=4 861 B11R1.157 CN([13CH3])Cc1cccc(c1)Cl 269982a_100020629429_200025704644 [0,1,0,0,0,0|3,0,0]=4 862 B11R1.157 CN([13CH3])Cc1cccc(c1)F 2230a_100000184398_200025704644 [0,1,0,0,0,0|3,0,0]=4 863 B11R1.157 CN([13CH3])Cc1cccc(c1)F 269982a_100000184398_200025704644 [0,1,0,0,0,0|3,0,0]=4 864 B11R1.157 CN([13CH3])Cc1cccc(c1)F 34a_100000184398_200025704644 [0,1,0,0,0,0|3,0,0]=4 865 B11R1.157 CN([13CH3])Cc1cccc(c1)O 2230a_100000207540_200025704644 [0,1,0,0,0,0|3,0,0]=4 866 B11R1.157 CN([13CH3])Cc1cccc(c1)O 269982a_100000207540_200025704644 [0,1,0,0,0,0|3,0,0]=4 867 B11R1.157 Cc1cc(ccn1)OC(C)C 34a_100000688365_100000210206 [0,1,0,0,0,0|2,0,1]=4 868 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [0,1,0,0,0,0|1,0,0]=2 869 B11R1.157 Cc1cccc(c1)CN(C)C 2230a_100102631434_100000211840 [0,1,0,0,0,0|3,0,0]=4 870 B11R1.157 Cc1cccc(c1)CN(C)C 2230a_102495364743_200000210301 [0,1,0,0,0,0|3,0,0]=4 871 B11R1.157 Cc1cccc(c1)CN(C)C 269982a_100102631434_100000211840 [0,1,0,0,0,0|3,0,0]=4 872 B11R1.157 Cc1cccc(c1)CN(C)C 269982a_102495364743_200000210301 [0,1,0,0,0,0|3,0,0]=4 873 B11R1.157 Cc1cccc(c1)CN(C)C 270004a_100102631434_100000211157 [0,1,0,0,0,0|3,0,0]=4 874 B11R1.157 Cc1cccc(c1)CN(C)C 34a_102495364743_200000210301 [0,1,0,0,0,0|3,0,0]=4 875 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 2230a_102495364743_200025704644 [0,1,0,0,0,0|3,0,0]=4 876 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 269982a_102495364743_200025704644 [0,1,0,0,0,0|3,0,0]=4 877 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 34a_102495364743_200025704644 [0,1,0,0,0,0|3,0,0]=4 878 B11R1.157 Cc1cccc(c1)NC(C)C 2230a_100000188690_100000210206 [0,1,0,0,0,0|2,0,1]=4 879 B11R1.157 Cc1cccc(c1)NC(C)C 34a_100000188690_100000210206 [0,1,0,0,0,0|2,0,1]=4 880 B11R1.157 Cc1cccc(c1)OC(C)C 34a_100000210337_100000210206 [0,1,0,0,0,0|1,0,1]=3 881 B11R1.157 Cc1cccc(c1)OC(C)C 7a_100000210337_100000210206 [0,1,0,0,0,0|1,0,1]=3 882 B11R1.157 Cc1cccc(c1)SC(C)C 62a_100000210206_100011215228 [0,1,0,0,0,0|1,1,1]=4 883 B11R1.157 Cc1cccc(c1)SC(C)C 62a_100011215228_100000210206 [0,1,0,0,0,0|1,1,1]=4 884 B11R1.157 Cc1cccc(n1)CC(=O)[13CH3] 1458a_100012001110_200025704644 [0,1,0,0,0,0|2,0,0]=3 885 B11R1.157 Cc1cncc(c1)OC(C)C 34a_100011830280_100000210206 [0,1,0,0,0,0|2,0,1]=4 886 B11R1.157 Cc1cncc(c1)OC(C)C 7a_100011830280_100000210206 [0,1,0,0,0,0|2,0,1]=4 887 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [0,1,0,0,0,0|2,0,0]=3 888 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [0,1,0,0,0,0|2,0,0]=3 889 B11R1.157 Oc1cccc(c1)OC(F)F 271570a_203496583355_100000179092 [0,1,0,0,0,0|2,0,1]=4 890 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [0,1,0,0,0,0|1,0,0]=2 891 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [0,1,0,0,0,0|1,0,0]=2 892 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [0,1,0,0,0,0|1,0,0]=2 893 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [0,1,0,0,0,0|1,0,0]=2 894 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [0,1,0,0,0,0|1,0,0]=2 895 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Br 1458a_100010201708_200025704644 [0,1,0,0,0,0|2,0,0]=3 896 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Cl 1458a_100000090259_200025704644 [0,1,0,0,0,0|2,0,0]=3 897 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)F 1458a_100000096803_200025704644 [0,1,0,0,0,0|2,0,0]=3 898 B11R1.157 [13CH3]C(=O)Cc1ccnc(c1)Br 1458a_100010126891_200025704644 [0,1,0,0,0,0|2,0,0]=3 899 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)Br 1458a_100000239331_200025704644 [0,1,0,0,0,0|2,0,0]=3 900 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)F 1458a_100011667516_200025704644 [0,1,0,0,0,0|2,0,0]=3 901 B11R1.509 CC(C)(C)Nc1ccccc1 34a_100000106764_100000210625 [0,1,0,0,0,0|2,0,1]=4 902 B11R1.509 CC(C)(C)Oc1ccccc1 34a_100000210340_100000210625 [0,1,0,0,0,0|1,0,1]=3 903 B11R1.509 CC(C)(C)Oc1cccnc1 34a_100000210849_100000210625 [0,1,0,0,0,0|2,0,1]=4 904 B11R1.509 CC(C)(C)Oc1ccncc1 34a_100000212176_100000210625 [0,1,0,0,0,0|2,0,1]=4 905 B11R1.509 CC(C)(C)Sc1ccccc1 62a_100000211941_100000041952 [0,1,0,0,0,0|1,1,1]=4 906 B11R1.509 CC(C)(C)Sc1ccccc1 62a_100000719477_100000211941 [0,1,0,0,0,0|1,1,1]=4 907 B11R1.509 FC(F)(F)Oc1ccccc1 34a_100000210340_200103152311 [0,1,0,0,0,0|2,0,1]=4 908 B11R1.509 FC(F)(F)Oc1ccccc1 7a_100000210340_200000243211 [0,1,0,0,0,0|2,0,1]=4 909 B9R0.4 C=CC=CC(=O)CC(=C)C 1458a_100016291481_100000748629 [0,0,1,0,0,0|3,0,0]=4 910 B9R0.4 C=CC=CC(=O)CC(=O)N 1458a_100016291481_100000187820 [0,0,1,0,0,0|3,0,0]=4 911 B9R0.4 C=CC=CC(=O)CC(=O)[O-] 1458a_100016291481_100020667443 [0,0,1,0,0,0|3,0,0]=4 912 B11R2.10 CN1Cc2ccccc2C1 2230a_100000752595_200000210301 [0,0,0,1,0,0|3,0,0]=4 913 B11R2.10 CN1Cc2ccccc2C1 269982a_100000752595_200000210301 [0,0,0,1,0,0|3,0,0]=4 914 B11R2.10 CN1Cc2ccccc2C1 34a_100000752595_200000210301 [0,0,0,1,0,0|3,0,0]=4 915 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [0,0,0,1,0,0|1,0,2]=4 916 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [0,0,0,1,0,0|0,0,2]=3 917 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [0,0,0,1,0,0|0,1,2]=4 918 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [0,0,0,1,0,0|2,0,1]=4 919 B11R2.10 Oc1nc2ccccc2s1 271570a_203496583355_100000751744 [0,0,0,1,0,0|1,1,1]=4 920 B11R2.10 [13CH3]N1Cc2ccccc2C1 2230a_100000752595_200025704644 [0,0,0,1,0,0|3,0,0]=4 921 B11R2.10 [13CH3]N1Cc2ccccc2C1 269982a_100000752595_200025704644 [0,0,0,1,0,0|3,0,0]=4 922 B11R2.10 [13CH3]N1Cc2ccccc2C1 34a_100000752595_200025704644 [0,0,0,1,0,0|3,0,0]=4 923 B11R2.238 c1cc(ccn1)OC2CC2 34a_100000212176_100000211595 [0,0,0,1,0,0|2,0,1]=4 924 B11R2.238 c1ccc(cc1)NC2CC2 34a_100000106764_100000211595 [0,0,0,1,0,0|2,0,1]=4 925 B11R2.238 c1ccc(cc1)OC2CC2 34a_100000210340_100000211595 [0,0,0,1,0,0|1,0,1]=3 926 B11R2.238 c1ccc(cc1)SC2CC2 62a_100000719477_100000211595 [0,0,0,1,0,0|1,1,1]=4 927 B11R2.238 c1cncc(c1)OC2CC2 34a_100000210849_100000211595 [0,0,0,1,0,0|2,0,1]=4 928 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [0,0,0,0,1,0|1,0,0]=2 929 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [0,0,0,0,1,0|2,0,0]=3 930 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [0,0,0,0,1,0|2,0,0]=3 931 B9R1.6 C=C(C)c1cccnn1 271570a_100000694244_100016991348 [0,0,0,0,1,0|3,0,0]=4 932 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [0,0,0,0,1,0|2,0,0]=3 933 B9R1.6 C=C(C)c1ccncn1 271570a_100000694244_100000703185 [0,0,0,0,1,0|3,0,0]=4 934 B9R1.6 C=C(C)c1ccnnc1 271570a_100000694244_100000732662 [0,0,0,0,1,0|3,0,0]=4 935 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [0,0,0,0,1,0|3,0,0]=4 936 B9R1.6 C=C(C)c1cncnc1 271570a_100000694244_100011206942 [0,0,0,0,1,0|3,0,0]=4 937 B9R1.6 C=C(C)c1ncccn1 271570a_100000694244_100000211032 [0,0,0,0,1,0|3,0,0]=4 938 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [0,0,0,0,1,0|0,0,0]=1 939 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [0,0,0,0,1,0|2,0,0]=3 940 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [0,0,0,0,1,0|2,0,0]=3 941 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [0,0,0,0,1,0|2,0,0]=3 942 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [0,0,0,0,1,0|2,0,0]=3 943 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [0,0,0,0,1,0|2,0,0]=3 944 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [0,0,0,0,1,0|2,0,0]=3 945 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [0,0,0,0,1,0|0,0,0]=1 946 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [0,0,0,0,1,0|3,0,0]=4 947 B9R1.13 CC(=Cc1cccs1)C 271570a_100102525489_100011215356 [0,0,0,0,1,0|3,0,0]=4 948 B9R1.13 CC(=Cc1ccoc1)C 271570a_100102525489_100011215275 [0,0,0,0,1,0|3,0,0]=4 949 B9R1.13 CC(=Cc1ccsc1)C 271570a_100102525489_100000738268 [0,0,0,0,1,0|3,0,0]=4 950 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100000070787_100000707719 [0,0,0,0,1,0|3,0,0]=4 951 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100015291406_200000210301 [0,0,0,0,1,0|3,0,0]=4 952 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,0,0,0,1,0|2,0,0]=3 953 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [0,0,0,0,1,0|2,0,0]=3 954 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [0,0,0,0,1,0|2,0,0]=3 955 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000070787_100000728653 [0,0,0,0,1,0|3,0,0]=4 956 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000752941_200000210301 [0,0,0,0,1,0|3,0,0]=4 957 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [0,0,0,0,1,0|2,0,0]=3 958 B9R1.13 CC(=O)Cc1ccon1 1458a_100000070787_100000234950 [0,0,0,0,1,0|3,0,0]=4 959 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [0,0,0,0,1,0|2,0,0]=3 960 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [0,0,0,0,1,0|2,0,0]=3 961 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [0,0,0,0,1,0|3,0,0]=4 962 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [0,0,0,0,1,0|3,0,0]=4 963 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [0,0,0,0,1,0|3,0,0]=4 964 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [0,0,0,0,1,0|3,0,0]=4 965 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [0,0,0,0,1,0|3,0,0]=4 966 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [0,0,0,0,1,0|2,0,0]=3 967 B9R1.13 CC(=O)Cn1cccn1 1458a_100000233772_200000210301 [0,0,0,0,1,0|3,0,0]=4 968 B9R1.13 CC(=O)Cn1ccnc1 1458a_100000739072_200000210301 [0,0,0,0,1,0|3,0,0]=4 969 B9R1.13 CC(C)Oc1ccsc1 34a_100000106738_100000210206 [0,0,0,0,1,0|2,0,1]=4 970 B9R1.13 CC(C)Oc1ccsc1 7a_100000106738_100000210206 [0,0,0,0,1,0|2,0,1]=4 971 B9R1.13 [13CH3]C(=O)Cc1c[nH]cn1 1458a_100015291406_200025704644 [0,0,0,0,1,0|3,0,0]=4 972 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,0,0,0,1,0|2,0,0]=3 973 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [0,0,0,0,1,0|2,0,0]=3 974 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [0,0,0,0,1,0|2,0,0]=3 975 B9R1.13 [13CH3]C(=O)Cc1ccn[nH]1 1458a_100000752941_200025704644 [0,0,0,0,1,0|3,0,0]=4 976 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [0,0,0,0,1,0|2,0,0]=3 977 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [0,0,0,0,1,0|2,0,0]=3 978 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [0,0,0,0,1,0|3,0,0]=4 979 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [0,0,0,0,1,0|2,0,0]=3 980 B9R1.13 [13CH3]C(=O)Cn1cccn1 1458a_100000233772_200025704644 [0,0,0,0,1,0|3,0,0]=4 981 B9R1.13 [13CH3]C(=O)Cn1ccnc1 1458a_100000739072_200025704644 [0,0,0,0,1,0|3,0,0]=4 982 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [0,0,0,0,0,1|2,0,0]=3 983 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [0,0,0,0,0,1|1,0,0]=2 984 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [0,0,0,0,0,1|1,0,0]=2 985 B11R1.91 C=C(C)COc1cccnc1 34a_100000210849_100000748629 [0,0,0,0,0,1|2,0,0]=3 986 B11R1.91 C=C(C)COc1cccnc1 7a_100000210849_100000748629 [0,0,0,0,0,1|2,0,0]=3 987 B11R1.91 C=C(C)COc1ccncc1 34a_100000212176_100000748629 [0,0,0,0,0,1|2,0,0]=3 988 B11R1.91 C=C(C)COc1ccnnc1 34a_100015204005_100000748629 [0,0,0,0,0,1|3,0,0]=4 989 B11R1.91 C=C(C)COc1cncnc1 7a_100000754086_100000748629 [0,0,0,0,0,1|3,0,0]=4 990 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [0,0,0,0,0,1|1,1,0]=3 991 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [0,0,0,0,0,1|1,1,0]=3 992 B11R1.91 C=C(C)CSc1ccccn1 62a_100000748629_100011216584 [0,0,0,0,0,1|2,1,0]=4 993 B11R1.91 C=C(C)CSc1ccccn1 62a_100011216584_100000211660 [0,0,0,0,0,1|2,1,0]=4 994 B11R1.91 C=C(C)CSc1cccnc1 62a_100000210063_100000211660 [0,0,0,0,0,1|2,1,0]=4 995 B11R1.91 C=C(C)CSc1cccnc1 62a_100000748629_100000210063 [0,0,0,0,0,1|2,1,0]=4 996 B11R1.91 C=C(C)CSc1ccncc1 62a_100000728582_100000211660 [0,0,0,0,0,1|2,1,0]=4 997 B11R1.91 C=C(C)CSc1ccncc1 62a_100000748629_100000728582 [0,0,0,0,0,1|2,1,0]=4 998 B11R1.91 C=C(F)CNc1ccccc1 34a_100000106764_100009893438 [0,0,0,0,0,1|2,0,1]=4 999 B11R1.91 C=C(F)COc1ccccc1 34a_100000210340_100009893438 [0,0,0,0,0,1|1,0,1]=3 1000 B11R1.91 C=C(F)COc1ccccc1 7a_100000210340_100000042424 [0,0,0,0,0,1|1,0,1]=3 1001 B11R1.91 C=C(F)COc1cccnc1 34a_100000210849_100009893438 [0,0,0,0,0,1|2,0,1]=4 1002 B11R1.91 C=C(F)COc1cccnc1 7a_100000210849_100000042424 [0,0,0,0,0,1|2,0,1]=4 1003 B11R1.91 C=C(F)COc1ccncc1 34a_100000212176_100009893438 [0,0,0,0,0,1|2,0,1]=4 1004 B11R1.91 C=C(F)CSc1ccccc1 62a_100000042424_100000041952 [0,0,0,0,0,1|1,1,1]=4 1005 B11R1.91 C=C(F)CSc1ccccc1 62a_100000719477_100000042424 [0,0,0,0,0,1|1,1,1]=4 1006 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [0,0,0,0,0,1|1,0,0]=2 1007 B11R1.91 CC(=O)C#Cc1ccccn1 1458a_102125277312_200000210301 [0,0,0,0,0,1|2,0,0]=3 1008 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,0,0,0,0,1|1,0,0]=2 1009 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [0,0,0,0,0,1|2,0,0]=3 1010 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [0,0,0,0,0,1|2,0,0]=3 1011 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [0,0,0,0,0,1|2,0,0]=3 1012 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,0,0,0,0,1|1,0,0]=2 1013 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,0,0,0,0,1|1,0,0]=2 1014 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,0,0,0,0,1|2,0,0]=3 1015 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,0,0,0,0,1|2,0,0]=3 1016 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,0,0,0,0,1|2,0,0]=3 1017 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,0,0,0,0,1|2,0,0]=3 1018 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [0,0,0,0,0,1|2,0,0]=3 1019 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [0,0,0,0,0,1|2,0,0]=3 1020 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,0,0,0,0,1|0,0,0]=1 1021 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [0,0,0,0,0,1|1,0,0]=2 1022 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [0,0,0,0,0,1|1,0,0]=2 1023 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,0,0,0,0,1|0,1,0]=2 1024 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [0,0,0,0,0,1|1,1,0]=3 1025 B11R1.91 CC(=O)CSc1ccncc1 1458a_100000211328_200000210301 [0,0,0,0,0,1|1,1,0]=3 1026 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,0,0,0,0,1|1,0,0]=2 1027 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,0,0,0,0,1|1,0,0]=2 1028 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,0,0,0,0,1|1,0,0]=2 1029 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,0,0,0,0,1|1,0,0]=2 1030 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [0,0,0,0,0,1|2,0,0]=3 1031 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [0,0,0,0,0,1|2,0,0]=3 1032 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [0,0,0,0,0,1|2,0,0]=3 1033 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [0,0,0,0,0,1|2,0,0]=3 1034 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [0,0,0,0,0,1|2,0,0]=3 1035 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [0,0,0,0,0,1|2,0,0]=3 1036 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [0,0,0,0,0,1|2,0,0]=3 1037 B11R1.91 CC(=O)NCc1cccnn1 11a_100159270163_100015343762 [0,0,0,0,0,1|3,0,0]=4 1038 B11R1.91 CC(=O)NCc1cccnn1 240690a_100159270163_100015343762 [0,0,0,0,0,1|3,0,0]=4 1039 B11R1.91 CC(=O)NCc1cccnn1 527a_100159270163_100103153847 [0,0,0,0,0,1|3,0,0]=4 1040 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [0,0,0,0,0,1|2,0,0]=3 1041 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [0,0,0,0,0,1|2,0,0]=3 1042 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [0,0,0,0,0,1|2,0,0]=3 1043 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [0,0,0,0,0,1|2,0,0]=3 1044 B11R1.91 CC(=O)NCc1ccncn1 11a_100000736019_100015343762 [0,0,0,0,0,1|3,0,0]=4 1045 B11R1.91 CC(=O)NCc1ccncn1 240690a_100000736019_100015343762 [0,0,0,0,0,1|3,0,0]=4 1046 B11R1.91 CC(=O)NCc1ccncn1 527a_100000736019_100103153847 [0,0,0,0,0,1|3,0,0]=4 1047 B11R1.91 CC(=O)NCc1cnccn1 11a_100000737960_100015343762 [0,0,0,0,0,1|3,0,0]=4 1048 B11R1.91 CC(=O)NCc1cnccn1 240690a_100000737960_100015343762 [0,0,0,0,0,1|3,0,0]=4 1049 B11R1.91 CC(=O)NCc1cnccn1 527a_100000737960_100103153847 [0,0,0,0,0,1|3,0,0]=4 1050 B11R1.91 CC(=O)NCc1cncnc1 11a_100011243677_100015343762 [0,0,0,0,0,1|3,0,0]=4 1051 B11R1.91 CC(=O)NCc1cncnc1 240690a_100011243677_100015343762 [0,0,0,0,0,1|3,0,0]=4 1052 B11R1.91 CC(=O)NCc1cncnc1 527a_100011243677_100103153847 [0,0,0,0,0,1|3,0,0]=4 1053 B11R1.91 CC(=O)NCc1ncccn1 11a_100015189908_100015343762 [0,0,0,0,0,1|3,0,0]=4 1054 B11R1.91 CC(=O)NCc1ncccn1 240690a_100015189908_100015343762 [0,0,0,0,0,1|3,0,0]=4 1055 B11R1.91 CC(=O)NCc1ncccn1 527a_100015189908_100103153847 [0,0,0,0,0,1|3,0,0]=4 1056 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [0,0,0,0,0,1|1,0,0]=2 1057 B11R1.91 CC(=O)NNc1ccccn1 22a_100000183288_100000070787 [0,0,0,0,0,1|2,0,0]=3 1058 B11R1.91 CC(=O)NNc1cccnc1 22a_100000728903_100000070787 [0,0,0,0,0,1|2,0,0]=3 1059 B11R1.91 CC(=O)NNc1cccnn1 22a_100000757824_100000070787 [0,0,0,0,0,1|3,0,0]=4 1060 B11R1.91 CC(=O)NNc1ccncc1 22a_100000698918_100000070787 [0,0,0,0,0,1|2,0,0]=3 1061 B11R1.91 CC(=O)NNc1ccncn1 22a_100011438088_100000070787 [0,0,0,0,0,1|3,0,0]=4 1062 B11R1.91 CC(=O)NNc1cnccn1 22a_100000736894_100000070787 [0,0,0,0,0,1|3,0,0]=4 1063 B11R1.91 CC(=O)NNc1ncccn1 22a_100000736892_100000070787 [0,0,0,0,0,1|3,0,0]=4 1064 B11R1.91 CC(C)C=Cc1ccccc1 271570a_100016257149_100000210277 [0,0,0,0,0,1|2,0,1]=4 1065 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [0,0,0,0,0,1|2,0,1]=4 1066 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [0,0,0,0,0,1|1,0,1]=3 1067 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [0,0,0,0,0,1|1,0,1]=3 1068 B11R1.91 CC(C)COc1cccnc1 34a_100000210849_100000210624 [0,0,0,0,0,1|2,0,1]=4 1069 B11R1.91 CC(C)COc1cccnc1 7a_100000210849_100000210760 [0,0,0,0,0,1|2,0,1]=4 1070 B11R1.91 CC(C)COc1ccncc1 34a_100000212176_100000210624 [0,0,0,0,0,1|2,0,1]=4 1071 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [0,0,0,0,0,1|1,1,1]=4 1072 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [0,0,0,0,0,1|1,1,1]=4 1073 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [0,0,0,0,0,1|2,0,1]=4 1074 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [0,0,0,0,0,1|2,0,1]=4 1075 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [0,0,0,0,0,1|2,0,1]=4 1076 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [0,0,0,0,0,1|2,0,1]=4 1077 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [0,0,0,0,0,1|2,0,1]=4 1078 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [0,0,0,0,0,1|1,0,1]=3 1079 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [0,0,0,0,0,1|1,0,1]=3 1080 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [0,0,0,0,0,1|1,0,1]=3 1081 B11R1.91 CC(C)OCc1ccccn1 34a_100000212225_100000721315 [0,0,0,0,0,1|2,0,1]=4 1082 B11R1.91 CC(C)OCc1cccnc1 34a_100000212225_100000733263 [0,0,0,0,0,1|2,0,1]=4 1083 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [0,0,0,0,0,1|1,1,1]=4 1084 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [0,0,0,0,0,1|1,1,1]=4 1085 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [0,0,0,0,0,1|1,0,2]=4 1086 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [0,0,0,0,0,1|1,0,2]=4 1087 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [0,0,0,0,0,1|0,0,2]=3 1088 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [0,0,0,0,0,1|0,0,2]=3 1089 B11R1.91 CC(O)COc1cccnc1 34a_100000210849_100011218427 [0,0,0,0,0,1|1,0,2]=4 1090 B11R1.91 CC(O)COc1cccnc1 7a_100000210849_100011218427 [0,0,0,0,0,1|1,0,2]=4 1091 B11R1.91 CC(O)COc1ccncc1 34a_100000212176_100011218427 [0,0,0,0,0,1|1,0,2]=4 1092 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [0,0,0,0,0,1|0,1,2]=4 1093 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [0,0,0,0,0,1|0,1,2]=4 1094 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [0,0,0,0,0,1|3,0,0]=4 1095 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [0,0,0,0,0,1|3,0,0]=4 1096 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [0,0,0,0,0,1|3,0,0]=4 1097 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [0,0,0,0,0,1|3,0,0]=4 1098 B11R1.91 CN(C)CSc1ccccc1 2230a_100102631434_100011218342 [0,0,0,0,0,1|2,1,0]=4 1099 B11R1.91 CN(C)CSc1ccccc1 269982a_100102631434_100011218342 [0,0,0,0,0,1|2,1,0]=4 1100 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [0,0,0,0,0,1|3,0,0]=4 1101 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [0,0,0,0,0,1|3,0,0]=4 1102 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [0,0,0,0,0,1|1,0,2]=4 1103 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [0,0,0,0,0,1|0,0,2]=3 1104 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [0,0,0,0,0,1|0,0,2]=3 1105 B11R1.91 C[C@@H](O)COc1cccnc1 34a_100000210849_100009817552 [0,0,0,0,0,1|1,0,2]=4 1106 B11R1.91 C[C@@H](O)COc1cccnc1 7a_100000210849_100009817552 [0,0,0,0,0,1|1,0,2]=4 1107 B11R1.91 C[C@@H](O)COc1ccncc1 34a_100000212176_100009817552 [0,0,0,0,0,1|1,0,2]=4 1108 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [0,0,0,0,0,1|0,1,2]=4 1109 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [0,0,0,0,0,1|0,1,2]=4 1110 B11R1.91 FC(F)COc1ccccc1 34a_100000210340_100011934356 [0,0,0,0,0,1|2,0,1]=4 1111 B11R1.91 FC(F)COc1ccccc1 7a_100000210340_100011934356 [0,0,0,0,0,1|2,0,1]=4 1112 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [0,0,0,0,0,1|2,0,0]=3 1113 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [0,0,0,0,0,1|1,0,0]=2 1114 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [0,0,0,0,0,1|1,0,0]=2 1115 B11R1.91 NC(=O)COc1cccnc1 34a_100000210849_100000187820 [0,0,0,0,0,1|2,0,0]=3 1116 B11R1.91 NC(=O)COc1cccnc1 7a_100000210849_100000187820 [0,0,0,0,0,1|2,0,0]=3 1117 B11R1.91 NC(=O)COc1ccncc1 34a_100000212176_100000187820 [0,0,0,0,0,1|2,0,0]=3 1118 B11R1.91 NC(=O)COc1ccnnc1 34a_100015204005_100000187820 [0,0,0,0,0,1|3,0,0]=4 1119 B11R1.91 NC(=O)COc1cncnc1 7a_100000754086_100000187820 [0,0,0,0,0,1|3,0,0]=4 1120 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [0,0,0,0,0,1|1,1,0]=3 1121 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [0,0,0,0,0,1|1,1,0]=3 1122 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [0,0,0,0,0,1|2,1,0]=4 1123 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [0,0,0,0,0,1|2,1,0]=4 1124 B11R1.91 NC(=O)CSc1cccnc1 62a_100000210063_100000747473 [0,0,0,0,0,1|2,1,0]=4 1125 B11R1.91 NC(=O)CSc1cccnc1 62a_100000747473_100000210063 [0,0,0,0,0,1|2,1,0]=4 1126 B11R1.91 NC(=O)CSc1ccncc1 62a_100000728582_100000747473 [0,0,0,0,0,1|2,1,0]=4 1127 B11R1.91 NC(=O)CSc1ccncc1 62a_100000747473_100000728582 [0,0,0,0,0,1|2,1,0]=4 1128 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [0,0,0,0,0,1|2,0,0]=3 1129 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [0,0,0,0,0,1|1,0,0]=2 1130 B11R1.91 O=C([O-])COc1cccnc1 34a_100000210849_100020667443 [0,0,0,0,0,1|2,0,0]=3 1131 B11R1.91 O=C([O-])COc1ccncc1 34a_100000212176_100020667443 [0,0,0,0,0,1|2,0,0]=3 1132 B11R1.91 O=C([O-])COc1ccnnc1 34a_100015204005_100020667443 [0,0,0,0,0,1|3,0,0]=4 1133 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [0,0,0,0,0,1|1,1,0]=3 1134 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [0,0,0,0,0,1|1,1,0]=3 1135 B11R1.91 O=C([O-])CSc1ccccn1 62a_100011216584_100020667443 [0,0,0,0,0,1|2,1,0]=4 1136 B11R1.91 O=C([O-])CSc1ccccn1 62a_100020667443_100011216584 [0,0,0,0,0,1|2,1,0]=4 1137 B11R1.91 O=C([O-])CSc1cccnc1 62a_100000210063_100020667443 [0,0,0,0,0,1|2,1,0]=4 1138 B11R1.91 O=C([O-])CSc1cccnc1 62a_100020667443_100000210063 [0,0,0,0,0,1|2,1,0]=4 1139 B11R1.91 O=C([O-])CSc1ccncc1 62a_100000728582_100020667443 [0,0,0,0,0,1|2,1,0]=4 1140 B11R1.91 O=C([O-])CSc1ccncc1 62a_100020667443_100000728582 [0,0,0,0,0,1|2,1,0]=4 1141 B11R1.91 O=[N+]([O-])CNc1ccccc1 34a_100000106764_100000761209 [0,0,0,0,0,1|3,0,0]=4 1142 B11R1.91 O=[N+]([O-])COc1ccccc1 34a_100000210340_100000761209 [0,0,0,0,0,1|2,0,0]=3 1143 B11R1.91 O=[N+]([O-])COc1cccnc1 34a_100000210849_100000761209 [0,0,0,0,0,1|3,0,0]=4 1144 B11R1.91 O=[N+]([O-])COc1ccncc1 34a_100000212176_100000761209 [0,0,0,0,0,1|3,0,0]=4 1145 B11R1.91 O=[N+]([O-])CSc1ccccc1 62a_100000719477_100000761209 [0,0,0,0,0,1|2,1,0]=4 1146 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [0,0,0,0,0,1|1,0,0]=2 1147 B11R1.91 [13CH3]C(=O)C#Cc1ccccn1 1458a_102125277312_200025704644 [0,0,0,0,0,1|2,0,0]=3 1148 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,0,0,0,0,1|1,0,0]=2 1149 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [0,0,0,0,0,1|2,0,0]=3 1150 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [0,0,0,0,0,1|2,0,0]=3 1151 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [0,0,0,0,0,1|2,0,0]=3 1152 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,0,0,0,0,1|1,0,0]=2 1153 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,0,0,0,0,1|2,0,0]=3 1154 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,0,0,0,0,1|2,0,0]=3 1155 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [0,0,0,0,0,1|2,0,0]=3 1156 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,0,0,0,0,1|0,0,0]=1 1157 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [0,0,0,0,0,1|1,0,0]=2 1158 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [0,0,0,0,0,1|1,0,0]=2 1159 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,0,0,0,0,1|0,1,0]=2 1160 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [0,0,0,0,0,1|1,1,0]=3 1161 B11R1.91 [13CH3]C(=O)CSc1ccncc1 1458a_100000211328_200025704644 [0,0,0,0,0,1|1,1,0]=3 1162 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|0,0,1]=3 1163 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [2,0,0,0,0,0|1,0,1]=4 1164 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [2,0,0,0,0,0|1,0,1]=4 1165 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [2,0,0,0,0,0|1,0,1]=4 1166 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|1,0,0]=3 1167 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|0,0,0]=2 1168 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|0,0,0]=2 1169 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [2,0,0,0,0,0|1,0,0]=3 1170 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [2,0,0,0,0,0|1,0,0]=3 1171 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [2,0,0,0,0,0|1,0,0]=3 1172 B8R1.2 COc1ccnnc1 34a_100015204005_200000210301 [2,0,0,0,0,0|2,0,0]=4 1173 B8R1.2 COc1cncnc1 7a_100000754086_200000210301 [2,0,0,0,0,0|2,0,0]=4 1174 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|0,1,0]=3 1175 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|0,1,0]=3 1176 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [2,0,0,0,0,0|1,1,0]=4 1177 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [2,0,0,0,0,0|1,1,0]=4 1178 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [2,0,0,0,0,0|1,1,0]=4 1179 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [2,0,0,0,0,0|1,1,0]=4 1180 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [2,0,0,0,0,0|1,1,0]=4 1181 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [2,0,0,0,0,0|1,1,0]=4 1182 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|1,0,0]=3 1183 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|0,0,0]=2 1184 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|0,0,0]=2 1185 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [2,0,0,0,0,0|1,0,0]=3 1186 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [2,0,0,0,0,0|1,0,0]=3 1187 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [2,0,0,0,0,0|1,0,0]=3 1188 B8R1.2 [13CH3]Oc1ccnnc1 34a_100015204005_200025704644 [2,0,0,0,0,0|2,0,0]=4 1189 B8R1.2 [13CH3]Oc1cncnc1 7a_100000754086_200025704644 [2,0,0,0,0,0|2,0,0]=4 1190 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|0,1,0]=3 1191 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|0,1,0]=3 1192 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [2,0,0,0,0,0|1,1,0]=4 1193 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [2,0,0,0,0,0|1,1,0]=4 1194 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [2,0,0,0,0,0|1,1,0]=4 1195 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [2,0,0,0,0,0|1,1,0]=4 1196 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [2,0,0,0,0,0|1,1,0]=4 1197 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [2,0,0,0,0,0|1,1,0]=4 1198 B10R0.4 CC=CC=CC=NNC(=O)C 4a_100000189765_100000691131 [0,1,1,0,0,0|1,0,1]=4 1199 B10R0.78 C=CC=CC(=O)NNC(=O)C 22a_100000189765_100016291481 [0,1,1,0,0,0|2,0,0]=4 1200 B10R0.18 C=CC=CC(=O)CC(=O)CC 1458a_100016291481_100000747405 [0,1,1,0,0,0|2,0,0]=4 1201 B10R0.18 C=CC=CC(=O)CC(=O)NC 1458a_100016291481_100000183359 [0,1,1,0,0,0|2,0,0]=4 1202 B10R0.18 C=CC=CC(=O)CC(=O)OC 1458a_100016291481_100000747449 [0,1,1,0,0,0|2,0,0]=4 1203 B10R0.81 C=CC=CC(=O)C(C)C(=O)C 1458a_100016291481_100000179758 [0,1,1,0,0,0|2,0,0]=4 1204 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [1,1,0,0,0,0|1,0,0]=3 1205 B10R1.1 CC=Cc1cc[n+](cc1)[O-] 271570a_100016259895_100000039755 [1,1,0,0,0,0|2,0,0]=4 1206 B10R1.1 CC=Cc1ccc(=O)[nH]c1 271570a_100016259895_100000212171 [1,1,0,0,0,0|2,0,0]=4 1207 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [1,1,0,0,0,0|1,0,0]=3 1208 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [1,1,0,0,0,0|1,0,0]=3 1209 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [1,1,0,0,0,0|1,0,0]=3 1210 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [1,1,0,0,0,0|1,0,0]=3 1211 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [1,1,0,0,0,0|1,0,0]=3 1212 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [1,1,0,0,0,0|1,0,0]=3 1213 B10R1.1 CC=Cc1ccc(cn1)Br 271570a_100016259895_100000686858 [1,1,0,0,0,0|2,0,0]=4 1214 B10R1.1 CC=Cc1ccc(cn1)C 271570a_100016259895_100000754016 [1,1,0,0,0,0|2,0,0]=4 1215 B10R1.1 CC=Cc1ccc(cn1)Cl 271570a_100016259895_100011356976 [1,1,0,0,0,0|2,0,0]=4 1216 B10R1.1 CC=Cc1ccc(cn1)F 271570a_100016259895_100000744514 [1,1,0,0,0,0|2,0,0]=4 1217 B10R1.1 CC=Cc1ccc(cn1)N 271570a_100016259895_100000744251 [1,1,0,0,0,0|2,0,0]=4 1218 B10R1.1 CC=Cc1ccc(cn1)O 271570a_100016259895_100000685995 [1,1,0,0,0,0|2,0,0]=4 1219 B10R1.1 CC=Cc1ccc(nc1)Br 271570a_100016259895_100009814638 [1,1,0,0,0,0|2,0,0]=4 1220 B10R1.1 CC=Cc1ccc(nc1)C 271570a_100016259895_100000751577 [1,1,0,0,0,0|2,0,0]=4 1221 B10R1.1 CC=Cc1ccc(nc1)Cl 271570a_100016259895_100000034144 [1,1,0,0,0,0|2,0,0]=4 1222 B10R1.1 CC=Cc1ccc(nc1)F 271570a_100016259895_100000748661 [1,1,0,0,0,0|2,0,0]=4 1223 B10R1.1 CC=Cc1ccc(nc1)N 271570a_100016259895_100000187370 [1,1,0,0,0,0|2,0,0]=4 1224 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [1,1,0,0,0,0|1,0,1]=4 1225 B10R1.1 CCNc1ccc(cc1)Br 2230a_100000210018_100000210202 [1,1,0,0,0,0|1,0,1]=4 1226 B10R1.1 CCNc1ccc(cc1)Br 34a_100000210018_100000210202 [1,1,0,0,0,0|1,0,1]=4 1227 B10R1.1 CCNc1ccc(cc1)C 34a_100000124888_100000210202 [1,1,0,0,0,0|1,0,1]=4 1228 B10R1.1 CCNc1ccc(cc1)Cl 2230a_100000210052_100000210202 [1,1,0,0,0,0|1,0,1]=4 1229 B10R1.1 CCNc1ccc(cc1)Cl 34a_100000210052_100000210202 [1,1,0,0,0,0|1,0,1]=4 1230 B10R1.1 CCNc1ccc(cc1)F 34a_100000185862_100000210202 [1,1,0,0,0,0|1,0,1]=4 1231 B10R1.1 CCNc1ccc(cc1)I 34a_100000185761_100000210202 [1,1,0,0,0,0|1,0,1]=4 1232 B10R1.1 CCNc1ccc(cc1)O 271570a_203496583355_100000219632 [1,1,0,0,0,0|1,0,1]=4 1233 B10R1.1 CCNc1ccc(cc1)O 34a_100000185829_100000210202 [1,1,0,0,0,0|1,0,1]=4 1234 B10R1.1 CCOc1ccc(=O)[nH]c1 34a_100000075641_100000210202 [1,1,0,0,0,0|1,0,1]=4 1235 B10R1.1 CCOc1ccc(cc1)Br 34a_100000185759_100000210202 [1,1,0,0,0,0|0,0,1]=3 1236 B10R1.1 CCOc1ccc(cc1)Br 7a_100000185759_100000210202 [1,1,0,0,0,0|0,0,1]=3 1237 B10R1.1 CCOc1ccc(cc1)C 34a_100000210336_100000210202 [1,1,0,0,0,0|0,0,1]=3 1238 B10R1.1 CCOc1ccc(cc1)C 7a_100000210336_100000210202 [1,1,0,0,0,0|0,0,1]=3 1239 B10R1.1 CCOc1ccc(cc1)Cl 34a_100000210216_100000210202 [1,1,0,0,0,0|0,0,1]=3 1240 B10R1.1 CCOc1ccc(cc1)Cl 7a_100000210216_100000210202 [1,1,0,0,0,0|0,0,1]=3 1241 B10R1.1 CCOc1ccc(cc1)F 34a_100000210339_100000210202 [1,1,0,0,0,0|0,0,1]=3 1242 B10R1.1 CCOc1ccc(cc1)I 34a_100000212066_100000210202 [1,1,0,0,0,0|0,0,1]=3 1243 B10R1.1 CCOc1ccc(cc1)I 7a_100000212066_100000210202 [1,1,0,0,0,0|0,0,1]=3 1244 B10R1.1 CCOc1ccc(cc1)N 34a_100000185829_100000210202 [1,1,0,0,0,0|0,0,1]=3 1245 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [1,1,0,0,0,0|0,0,1]=3 1246 B10R1.1 CCOc1ccc(cn1)C 34a_100000759353_100000210202 [1,1,0,0,0,0|1,0,1]=4 1247 B10R1.1 CCOc1ccc(cn1)Cl 34a_100011215309_100000210202 [1,1,0,0,0,0|1,0,1]=4 1248 B10R1.1 CCOc1ccc(cn1)F 34a_100000742473_100000210202 [1,1,0,0,0,0|1,0,1]=4 1249 B10R1.1 CCOc1ccc(cn1)N 34a_100000729260_100000210202 [1,1,0,0,0,0|1,0,1]=4 1250 B10R1.1 CCOc1ccc(cn1)O 271570a_203496583355_100011219444 [1,1,0,0,0,0|1,0,1]=4 1251 B10R1.1 CCOc1ccc(nc1)Br 34a_100000685995_100000210202 [1,1,0,0,0,0|1,0,1]=4 1252 B10R1.1 CCOc1ccc(nc1)Br 7a_100000685995_100000210202 [1,1,0,0,0,0|1,0,1]=4 1253 B10R1.1 CCOc1ccc(nc1)C 34a_100000745506_100000210202 [1,1,0,0,0,0|1,0,1]=4 1254 B10R1.1 CCOc1ccc(nc1)C 7a_100000745506_100000210202 [1,1,0,0,0,0|1,0,1]=4 1255 B10R1.1 CCOc1ccc(nc1)Cl 34a_100000744096_100000210202 [1,1,0,0,0,0|1,0,1]=4 1256 B10R1.1 CCOc1ccc(nc1)Cl 7a_100000744096_100000210202 [1,1,0,0,0,0|1,0,1]=4 1257 B10R1.1 CCOc1ccc(nc1)F 34a_100000688820_100000210202 [1,1,0,0,0,0|1,0,1]=4 1258 B10R1.1 CCOc1ccc(nc1)F 7a_100000688820_100000210202 [1,1,0,0,0,0|1,0,1]=4 1259 B10R1.1 CCOc1ccc(nc1)I 34a_100000687607_100000210202 [1,1,0,0,0,0|1,0,1]=4 1260 B10R1.1 CCOc1ccc(nc1)I 7a_100000687607_100000210202 [1,1,0,0,0,0|1,0,1]=4 1261 B10R1.1 CCOc1ccc(nc1)N 34a_100015188713_100000210202 [1,1,0,0,0,0|1,0,1]=4 1262 B10R1.1 CCOc1ccc(nc1)N 7a_100015188713_100000210202 [1,1,0,0,0,0|1,0,1]=4 1263 B10R1.1 CCOc1ccc(nc1)O 271570a_203496583355_100000753957 [1,1,0,0,0,0|1,0,1]=4 1264 B10R1.1 CCSc1ccc(cc1)Br 62a_100000210202_100000752885 [1,1,0,0,0,0|0,1,1]=4 1265 B10R1.1 CCSc1ccc(cc1)Br 62a_100000752885_100000210202 [1,1,0,0,0,0|0,1,1]=4 1266 B10R1.1 CCSc1ccc(cc1)C 62a_100000186775_100000210202 [1,1,0,0,0,0|0,1,1]=4 1267 B10R1.1 CCSc1ccc(cc1)C 62a_100000210202_100000186775 [1,1,0,0,0,0|0,1,1]=4 1268 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000210202_100000755918 [1,1,0,0,0,0|0,1,1]=4 1269 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000755918_100000210202 [1,1,0,0,0,0|0,1,1]=4 1270 B10R1.1 CCSc1ccc(cc1)F 62a_100000210202_100000211213 [1,1,0,0,0,0|0,1,1]=4 1271 B10R1.1 CCSc1ccc(cc1)F 62a_100000211213_100000210202 [1,1,0,0,0,0|0,1,1]=4 1272 B10R1.1 CCSc1ccc(cc1)N 62a_100000185761_100000210202 [1,1,0,0,0,0|0,1,1]=4 1273 B10R1.1 CCSc1ccc(cc1)N 62a_100000210202_100000185761 [1,1,0,0,0,0|0,1,1]=4 1274 B10R1.1 CCSc1ccc(cc1)O 271570a_203496583355_200009811893 [1,1,0,0,0,0|0,1,1]=4 1275 B10R1.1 CCSc1ccc(cc1)O 62a_100000210202_100000185759 [1,1,0,0,0,0|0,1,1]=4 1276 B10R1.1 CNCc1ccc(cc1)Br 207a_100102657272_100000186029 [1,1,0,0,0,0|2,0,0]=4 1277 B10R1.1 CNCc1ccc(cc1)Br 2230a_100000174875_200000210301 [1,1,0,0,0,0|2,0,0]=4 1278 B10R1.1 CNCc1ccc(cc1)Br 2230a_106832991635_100011217064 [1,1,0,0,0,0|2,0,0]=4 1279 B10R1.1 CNCc1ccc(cc1)Br 26a_100102657272_100000185759 [1,1,0,0,0,0|2,0,0]=4 1280 B10R1.1 CNCc1ccc(cc1)Br 270004a_106832991635_100000186029 [1,1,0,0,0,0|2,0,0]=4 1281 B10R1.1 CNCc1ccc(cc1)Br 34a_100000174875_200000210301 [1,1,0,0,0,0|2,0,0]=4 1282 B10R1.1 CNCc1ccc(cc1)Br 34a_100102657272_100000189115 [1,1,0,0,0,0|2,0,0]=4 1283 B10R1.1 CNCc1ccc(cc1)Br 7a_106832991635_100011217064 [1,1,0,0,0,0|2,0,0]=4 1284 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [1,1,0,0,0,0|2,0,0]=4 1285 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [1,1,0,0,0,0|2,0,0]=4 1286 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [1,1,0,0,0,0|2,0,0]=4 1287 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [1,1,0,0,0,0|2,0,0]=4 1288 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [1,1,0,0,0,0|2,0,0]=4 1289 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [1,1,0,0,0,0|2,0,0]=4 1290 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [1,1,0,0,0,0|2,0,0]=4 1291 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [1,1,0,0,0,0|2,0,0]=4 1292 B10R1.1 CNCc1ccc(cc1)Cl 207a_100102657272_100000189385 [1,1,0,0,0,0|2,0,0]=4 1293 B10R1.1 CNCc1ccc(cc1)Cl 2230a_100000174871_200000210301 [1,1,0,0,0,0|2,0,0]=4 1294 B10R1.1 CNCc1ccc(cc1)Cl 2230a_106832991635_100000694040 [1,1,0,0,0,0|2,0,0]=4 1295 B10R1.1 CNCc1ccc(cc1)Cl 270004a_106832991635_100000189385 [1,1,0,0,0,0|2,0,0]=4 1296 B10R1.1 CNCc1ccc(cc1)Cl 34a_100000174871_200000210301 [1,1,0,0,0,0|2,0,0]=4 1297 B10R1.1 CNCc1ccc(cc1)Cl 34a_100102657272_100000694040 [1,1,0,0,0,0|2,0,0]=4 1298 B10R1.1 CNCc1ccc(cc1)Cl 7a_106832991635_100000187161 [1,1,0,0,0,0|2,0,0]=4 1299 B10R1.1 CNCc1ccc(cc1)F 207a_100102657272_100000210084 [1,1,0,0,0,0|2,0,0]=4 1300 B10R1.1 CNCc1ccc(cc1)F 2230a_100000174882_200000210301 [1,1,0,0,0,0|2,0,0]=4 1301 B10R1.1 CNCc1ccc(cc1)F 2230a_106832991635_100000198546 [1,1,0,0,0,0|2,0,0]=4 1302 B10R1.1 CNCc1ccc(cc1)F 270004a_106832991635_100000210084 [1,1,0,0,0,0|2,0,0]=4 1303 B10R1.1 CNCc1ccc(cc1)F 34a_100000174882_200000210301 [1,1,0,0,0,0|2,0,0]=4 1304 B10R1.1 CNCc1ccc(cc1)F 34a_100102657272_100000198546 [1,1,0,0,0,0|2,0,0]=4 1305 B10R1.1 CNCc1ccc(cc1)F 7a_106832991635_100000198546 [1,1,0,0,0,0|2,0,0]=4 1306 B10R1.1 CNCc1ccc(cc1)I 207a_100102657272_100000188517 [1,1,0,0,0,0|2,0,0]=4 1307 B10R1.1 CNCc1ccc(cc1)I 2230a_100016989417_200000210301 [1,1,0,0,0,0|2,0,0]=4 1308 B10R1.1 CNCc1ccc(cc1)I 2230a_106832991635_100000189116 [1,1,0,0,0,0|2,0,0]=4 1309 B10R1.1 CNCc1ccc(cc1)I 34a_100016989417_200000210301 [1,1,0,0,0,0|2,0,0]=4 1310 B10R1.1 CNCc1ccc(cc1)I 34a_100102657272_100000189116 [1,1,0,0,0,0|2,0,0]=4 1311 B10R1.1 CNCc1ccc(cc1)I 7a_106832991635_100000189116 [1,1,0,0,0,0|2,0,0]=4 1312 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [1,1,0,0,0,0|2,0,0]=4 1313 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [1,1,0,0,0,0|2,0,0]=4 1314 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [1,1,0,0,0,0|2,0,0]=4 1315 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [1,1,0,0,0,0|2,0,0]=4 1316 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [1,1,0,0,0,0|2,0,0]=4 1317 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [1,1,0,0,0,0|2,0,0]=4 1318 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [1,1,0,0,0,0|2,0,0]=4 1319 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [1,1,0,0,0,0|2,0,0]=4 1320 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [1,1,0,0,0,0|2,0,0]=4 1321 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [1,1,0,0,0,0|2,0,0]=4 1322 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [1,1,0,0,0,0|2,0,0]=4 1323 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [1,1,0,0,0,0|2,0,0]=4 1324 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [1,1,0,0,0,0|2,0,0]=4 1325 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [1,1,0,0,0,0|2,0,0]=4 1326 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [1,1,0,0,0,0|2,0,0]=4 1327 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [1,1,0,0,0,0|2,0,0]=4 1328 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [1,1,0,0,0,0|2,0,0]=4 1329 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [1,1,0,0,0,0|2,0,0]=4 1330 B10R1.1 CSCc1ccc(cc1)Br 62a_100000189115_200000210301 [1,1,0,0,0,0|2,0,0]=4 1331 B10R1.1 CSCc1ccc(cc1)Br 62a_200000210301_100000189115 [1,1,0,0,0,0|2,0,0]=4 1332 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [1,1,0,0,0,0|2,0,0]=4 1333 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [1,1,0,0,0,0|2,0,0]=4 1334 B10R1.1 CSCc1ccc(cc1)Cl 62a_100000187161_200000210301 [1,1,0,0,0,0|2,0,0]=4 1335 B10R1.1 CSCc1ccc(cc1)Cl 62a_200000210301_100000187161 [1,1,0,0,0,0|2,0,0]=4 1336 B10R1.1 CSCc1ccc(cc1)F 62a_100000198546_200000210301 [1,1,0,0,0,0|2,0,0]=4 1337 B10R1.1 CSCc1ccc(cc1)F 62a_200000210301_100000187164 [1,1,0,0,0,0|2,0,0]=4 1338 B10R1.1 CSCc1ccc(cc1)I 62a_100000189116_200000210301 [1,1,0,0,0,0|2,0,0]=4 1339 B10R1.1 CSCc1ccc(cc1)I 62a_200000210301_100000189116 [1,1,0,0,0,0|2,0,0]=4 1340 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [1,1,0,0,0,0|2,0,0]=4 1341 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [1,1,0,0,0,0|2,0,0]=4 1342 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [1,1,0,0,0,0|2,0,0]=4 1343 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [1,1,0,0,0,0|2,0,0]=4 1344 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [1,1,0,0,0,0|2,0,0]=4 1345 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [1,1,0,0,0,0|2,0,0]=4 1346 B10R1.1 Cc1ccc(cc1)OCF 34a_100000210336_100015361967 [1,1,0,0,0,0|1,0,1]=4 1347 B10R1.1 Cc1ccc(cc1)OCF 7a_100000210336_100015361967 [1,1,0,0,0,0|1,0,1]=4 1348 B10R1.1 FCOc1ccc(cc1)Br 34a_100000185759_100015361967 [1,1,0,0,0,0|1,0,1]=4 1349 B10R1.1 FCOc1ccc(cc1)Br 7a_100000185759_100015361967 [1,1,0,0,0,0|1,0,1]=4 1350 B10R1.1 FCOc1ccc(cc1)Cl 34a_100000210216_100015361967 [1,1,0,0,0,0|1,0,1]=4 1351 B10R1.1 FCOc1ccc(cc1)Cl 7a_100000210216_100015361967 [1,1,0,0,0,0|1,0,1]=4 1352 B10R1.1 FCOc1ccc(cc1)F 34a_100000210339_100015361967 [1,1,0,0,0,0|1,0,1]=4 1353 B10R1.1 FCOc1ccc(cc1)I 34a_100000212066_100015361967 [1,1,0,0,0,0|1,0,1]=4 1354 B10R1.1 FCOc1ccc(cc1)I 7a_100000212066_100015361967 [1,1,0,0,0,0|1,0,1]=4 1355 B10R1.1 Nc1ccc(cc1)OCF 34a_100000185829_100015361967 [1,1,0,0,0,0|1,0,1]=4 1356 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [1,1,0,0,0,0|1,0,0]=3 1357 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [1,1,0,0,0,0|2,0,0]=4 1358 B10R1.1 [13CH3]NCc1ccc(cc1)Br 2230a_100000174875_200025704644 [1,1,0,0,0,0|2,0,0]=4 1359 B10R1.1 [13CH3]NCc1ccc(cc1)Br 34a_100000174875_200025704644 [1,1,0,0,0,0|2,0,0]=4 1360 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 2230a_100000174871_200025704644 [1,1,0,0,0,0|2,0,0]=4 1361 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 34a_100000174871_200025704644 [1,1,0,0,0,0|2,0,0]=4 1362 B10R1.1 [13CH3]NCc1ccc(cc1)F 2230a_100000174882_200025704644 [1,1,0,0,0,0|2,0,0]=4 1363 B10R1.1 [13CH3]NCc1ccc(cc1)F 34a_100000174882_200025704644 [1,1,0,0,0,0|2,0,0]=4 1364 B10R1.1 [13CH3]NCc1ccc(cc1)I 2230a_100016989417_200025704644 [1,1,0,0,0,0|2,0,0]=4 1365 B10R1.1 [13CH3]NCc1ccc(cc1)I 34a_100016989417_200025704644 [1,1,0,0,0,0|2,0,0]=4 1366 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [1,1,0,0,0,0|2,0,0]=4 1367 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [1,1,0,0,0,0|2,0,0]=4 1368 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [1,1,0,0,0,0|2,0,0]=4 1369 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [1,1,0,0,0,0|2,0,0]=4 1370 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [1,1,0,0,0,0|2,0,0]=4 1371 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [1,1,0,0,0,0|2,0,0]=4 1372 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [1,1,0,0,0,0|2,0,0]=4 1373 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [1,1,0,0,0,0|2,0,0]=4 1374 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [1,1,0,0,0,0|2,0,0]=4 1375 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_100000189115_200025704644 [1,1,0,0,0,0|2,0,0]=4 1376 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_200025704644_100000189115 [1,1,0,0,0,0|2,0,0]=4 1377 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_100000187161_200025704644 [1,1,0,0,0,0|2,0,0]=4 1378 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_200025704644_100000187161 [1,1,0,0,0,0|2,0,0]=4 1379 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_100000198546_200025704644 [1,1,0,0,0,0|2,0,0]=4 1380 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_200025704644_100000187164 [1,1,0,0,0,0|2,0,0]=4 1381 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_100000189116_200025704644 [1,1,0,0,0,0|2,0,0]=4 1382 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_200025704644_100000189116 [1,1,0,0,0,0|2,0,0]=4 1383 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,1,0,0,0,0|1,0,1]=4 1384 B10R1.4 CC=Cc1c[nH]ccc1=O 271570a_100016259895_100009998708 [1,1,0,0,0,0|2,0,0]=4 1385 B10R1.4 CC=Cc1c[nH]ccc1=S 271570a_100016259895_200012280681 [1,1,0,0,0,0|2,0,0]=4 1386 B10R1.4 CC=Cc1ccc[nH]c1=O 271570a_100016259895_100000050042 [1,1,0,0,0,0|2,0,0]=4 1387 B10R1.4 CC=Cc1cccc[n+]1C 271570a_100016259895_100000212160 [1,1,0,0,0,0|2,0,0]=4 1388 B10R1.4 CC=Cc1cccc[n+]1[O-] 271570a_100016259895_200000042595 [1,1,0,0,0,0|2,0,0]=4 1389 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,1,0,0,0,0|1,0,0]=3 1390 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,1,0,0,0,0|1,0,0]=3 1391 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,1,0,0,0,0|1,0,0]=3 1392 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,1,0,0,0,0|1,0,0]=3 1393 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,1,0,0,0,0|1,0,0]=3 1394 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,1,0,0,0,0|1,0,0]=3 1395 B10R1.4 CC=Cc1cccnc1Br 271570a_100016259895_100010202626 [1,1,0,0,0,0|2,0,0]=4 1396 B10R1.4 CC=Cc1cccnc1C 271570a_100016259895_100000751574 [1,1,0,0,0,0|2,0,0]=4 1397 B10R1.4 CC=Cc1cccnc1Cl 271570a_100016259895_100000036424 [1,1,0,0,0,0|2,0,0]=4 1398 B10R1.4 CC=Cc1cccnc1F 271570a_100016259895_100009816115 [1,1,0,0,0,0|2,0,0]=4 1399 B10R1.4 CC=Cc1cccnc1N 271570a_100016259895_100000045569 [1,1,0,0,0,0|2,0,0]=4 1400 B10R1.4 CC=Cc1ccncc1Br 271570a_100016259895_100000726257 [1,1,0,0,0,0|2,0,0]=4 1401 B10R1.4 CC=Cc1ccncc1C 271570a_100016259895_100015191297 [1,1,0,0,0,0|2,0,0]=4 1402 B10R1.4 CC=Cc1ccncc1Cl 271570a_100016259895_100000708259 [1,1,0,0,0,0|2,0,0]=4 1403 B10R1.4 CC=Cc1ccncc1F 271570a_100016259895_100000047030 [1,1,0,0,0,0|2,0,0]=4 1404 B10R1.4 CC=Cc1ccncc1N 271570a_100016259895_100009815883 [1,1,0,0,0,0|2,0,0]=4 1405 B10R1.4 CC=Cc1ccncc1O 271570a_100016259895_100009817591 [1,1,0,0,0,0|2,0,0]=4 1406 B10R1.4 CC=Cc1cnccc1Br 271570a_100016259895_100010138639 [1,1,0,0,0,0|2,0,0]=4 1407 B10R1.4 CC=Cc1cnccc1C 271570a_100016259895_100000761580 [1,1,0,0,0,0|2,0,0]=4 1408 B10R1.4 CC=Cc1cnccc1Cl 271570a_100016259895_100009995489 [1,1,0,0,0,0|2,0,0]=4 1409 B10R1.4 CC=Cc1cnccc1F 271570a_100016259895_100009820683 [1,1,0,0,0,0|2,0,0]=4 1410 B10R1.4 CC=Cc1cnccc1N 271570a_100016259895_100000047001 [1,1,0,0,0,0|2,0,0]=4 1411 B10R1.4 CC=Cc1ncccc1Br 271570a_100016259895_100000696092 [1,1,0,0,0,0|2,0,0]=4 1412 B10R1.4 CC=Cc1ncccc1C 271570a_100016259895_100000751373 [1,1,0,0,0,0|2,0,0]=4 1413 B10R1.4 CC=Cc1ncccc1Cl 271570a_100016259895_100011356963 [1,1,0,0,0,0|2,0,0]=4 1414 B10R1.4 CC=Cc1ncccc1F 271570a_100016259895_100000685392 [1,1,0,0,0,0|2,0,0]=4 1415 B10R1.4 CC=Cc1ncccc1N 271570a_100016259895_100000688686 [1,1,0,0,0,0|2,0,0]=4 1416 B10R1.4 CC=Cc1ncccc1O 271570a_100016259895_100000034122 [1,1,0,0,0,0|2,0,0]=4 1417 B10R1.4 CCNc1ccccc1Br 34a_100000210017_100000210202 [1,1,0,0,0,0|1,0,1]=4 1418 B10R1.4 CCNc1ccccc1C 34a_100015192222_100000210202 [1,1,0,0,0,0|1,0,1]=4 1419 B10R1.4 CCNc1ccccc1Cl 34a_100000185783_100000210202 [1,1,0,0,0,0|1,0,1]=4 1420 B10R1.4 CCNc1ccccc1F 34a_100000210422_100000210202 [1,1,0,0,0,0|1,0,1]=4 1421 B10R1.4 CCNc1ccccc1I 34a_100000210053_100000210202 [1,1,0,0,0,0|1,0,1]=4 1422 B10R1.4 CCNc1ccccc1O 271570a_203496583355_114873767003 [1,1,0,0,0,0|1,0,1]=4 1423 B10R1.4 CCNc1ccccc1O 34a_100000185747_100000210202 [1,1,0,0,0,0|1,0,1]=4 1424 B10R1.4 CCOc1cccc[n+]1[O-] 7a_100000211761_100000210202 [1,1,0,0,0,0|1,0,1]=4 1425 B10R1.4 CCOc1ccccc1Br 34a_100000181306_100000210202 [1,1,0,0,0,0|0,0,1]=3 1426 B10R1.4 CCOc1ccccc1Br 7a_100000181306_100000210202 [1,1,0,0,0,0|0,0,1]=3 1427 B10R1.4 CCOc1ccccc1C 34a_100000210338_100000210202 [1,1,0,0,0,0|0,0,1]=3 1428 B10R1.4 CCOc1ccccc1C 7a_100000210338_100000210202 [1,1,0,0,0,0|0,0,1]=3 1429 B10R1.4 CCOc1ccccc1Cl 34a_100000210172_100000210202 [1,1,0,0,0,0|0,0,1]=3 1430 B10R1.4 CCOc1ccccc1Cl 7a_100000210172_100000210202 [1,1,0,0,0,0|0,0,1]=3 1431 B10R1.4 CCOc1ccccc1F 34a_100000210171_100000210202 [1,1,0,0,0,0|0,0,1]=3 1432 B10R1.4 CCOc1ccccc1F 7a_100000210171_100000210202 [1,1,0,0,0,0|0,0,1]=3 1433 B10R1.4 CCOc1ccccc1I 34a_100000739446_100000210202 [1,1,0,0,0,0|0,0,1]=3 1434 B10R1.4 CCOc1ccccc1I 7a_100000739446_100000210202 [1,1,0,0,0,0|0,0,1]=3 1435 B10R1.4 CCOc1ccccc1N 34a_100000185747_100000210202 [1,1,0,0,0,0|0,0,1]=3 1436 B10R1.4 CCOc1ccccc1N 7a_100000185747_100000210202 [1,1,0,0,0,0|0,0,1]=3 1437 B10R1.4 CCOc1ccccc1O 271570a_203496583355_100000230754 [1,1,0,0,0,0|0,0,1]=3 1438 B10R1.4 CCOc1cccnc1Br 34a_100000744436_100000210202 [1,1,0,0,0,0|1,0,1]=4 1439 B10R1.4 CCOc1cccnc1Br 7a_100000744436_100000210202 [1,1,0,0,0,0|1,0,1]=4 1440 B10R1.4 CCOc1cccnc1C 34a_100000745507_100000210202 [1,1,0,0,0,0|1,0,1]=4 1441 B10R1.4 CCOc1cccnc1C 7a_100000745507_100000210202 [1,1,0,0,0,0|1,0,1]=4 1442 B10R1.4 CCOc1cccnc1Cl 34a_100000757616_100000210202 [1,1,0,0,0,0|1,0,1]=4 1443 B10R1.4 CCOc1cccnc1Cl 7a_100000757616_100000210202 [1,1,0,0,0,0|1,0,1]=4 1444 B10R1.4 CCOc1cccnc1F 34a_100000061740_100000210202 [1,1,0,0,0,0|1,0,1]=4 1445 B10R1.4 CCOc1cccnc1F 7a_100000061740_100000210202 [1,1,0,0,0,0|1,0,1]=4 1446 B10R1.4 CCOc1cccnc1I 34a_100000034122_100000210202 [1,1,0,0,0,0|1,0,1]=4 1447 B10R1.4 CCOc1cccnc1I 7a_100000034122_100000210202 [1,1,0,0,0,0|1,0,1]=4 1448 B10R1.4 CCOc1cccnc1N 34a_100000211975_100000210202 [1,1,0,0,0,0|1,0,1]=4 1449 B10R1.4 CCOc1cccnc1N 7a_100000211975_100000210202 [1,1,0,0,0,0|1,0,1]=4 1450 B10R1.4 CCOc1cccnc1O 271570a_203496583355_100011597540 [1,1,0,0,0,0|1,0,1]=4 1451 B10R1.4 CCOc1cccoc1=O 34a_100000077404_100000210202 [1,1,0,0,0,0|1,0,1]=4 1452 B10R1.4 CCOc1cccoc1=O 7a_100000077404_100000210202 [1,1,0,0,0,0|1,0,1]=4 1453 B10R1.4 CCOc1ccncc1Br 34a_100011996408_100000210202 [1,1,0,0,0,0|1,0,1]=4 1454 B10R1.4 CCOc1ccncc1C 34a_100000694293_100000210202 [1,1,0,0,0,0|1,0,1]=4 1455 B10R1.4 CCOc1ccncc1Cl 34a_100011997054_100000210202 [1,1,0,0,0,0|1,0,1]=4 1456 B10R1.4 CCOc1ccncc1F 34a_200000081243_100000210202 [1,1,0,0,0,0|1,0,1]=4 1457 B10R1.4 CCOc1cnccc1C 34a_100011997053_100000210202 [1,1,0,0,0,0|1,0,1]=4 1458 B10R1.4 CCOc1cnccc1C 7a_100011997053_100000210202 [1,1,0,0,0,0|1,0,1]=4 1459 B10R1.4 CCOc1cnccc1Cl 34a_100011996695_100000210202 [1,1,0,0,0,0|1,0,1]=4 1460 B10R1.4 CCOc1cnccc1I 34a_100000050107_100000210202 [1,1,0,0,0,0|1,0,1]=4 1461 B10R1.4 CCOc1cnccc1N 34a_100000753702_100000210202 [1,1,0,0,0,0|1,0,1]=4 1462 B10R1.4 CCOc1coccc1=O 34a_100000060831_100000210202 [1,1,0,0,0,0|1,0,1]=4 1463 B10R1.4 CCOc1ncccc1Cl 34a_100011290957_100000210202 [1,1,0,0,0,0|1,0,1]=4 1464 B10R1.4 CCOc1ncccc1F 34a_100011219419_100000210202 [1,1,0,0,0,0|1,0,1]=4 1465 B10R1.4 CCOc1ncccc1N 34a_100000746358_100000210202 [1,1,0,0,0,0|1,0,1]=4 1466 B10R1.4 CCOc1ncccc1O 271570a_203496583355_100011465154 [1,1,0,0,0,0|1,0,1]=4 1467 B10R1.4 CCSc1ccccc1Br 62a_100000210202_100000695589 [1,1,0,0,0,0|0,1,1]=4 1468 B10R1.4 CCSc1ccccc1Br 62a_100000695589_100000210202 [1,1,0,0,0,0|0,1,1]=4 1469 B10R1.4 CCSc1ccccc1C 62a_100000210202_100000210755 [1,1,0,0,0,0|0,1,1]=4 1470 B10R1.4 CCSc1ccccc1C 62a_100000210755_100000210202 [1,1,0,0,0,0|0,1,1]=4 1471 B10R1.4 CCSc1ccccc1Cl 62a_100000210202_100000764095 [1,1,0,0,0,0|0,1,1]=4 1472 B10R1.4 CCSc1ccccc1Cl 62a_100000764095_100000210202 [1,1,0,0,0,0|0,1,1]=4 1473 B10R1.4 CCSc1ccccc1F 62a_100000210202_100011215700 [1,1,0,0,0,0|0,1,1]=4 1474 B10R1.4 CCSc1ccccc1F 62a_100011215700_100000210202 [1,1,0,0,0,0|0,1,1]=4 1475 B10R1.4 CCSc1ccccc1N 62a_100000210017_100000210202 [1,1,0,0,0,0|0,1,1]=4 1476 B10R1.4 CCSc1ccccc1N 62a_100000210202_100000210017 [1,1,0,0,0,0|0,1,1]=4 1477 B10R1.4 CCSc1ccccc1O 271570a_203496583355_100000230856 [1,1,0,0,0,0|0,1,1]=4 1478 B10R1.4 CCSc1ccccc1O 62a_100000210202_100000739446 [1,1,0,0,0,0|0,1,1]=4 1479 B10R1.4 CCSc1ccccc1O 62a_100000739446_100000210202 [1,1,0,0,0,0|0,1,1]=4 1480 B10R1.4 CNCc1ccccc1Br 207a_100102657272_100000211189 [1,1,0,0,0,0|2,0,0]=4 1481 B10R1.4 CNCc1ccccc1Br 2230a_100000689332_200000210301 [1,1,0,0,0,0|2,0,0]=4 1482 B10R1.4 CNCc1ccccc1Br 2230a_106832991635_100000184730 [1,1,0,0,0,0|2,0,0]=4 1483 B10R1.4 CNCc1ccccc1Br 26a_100102657272_100000181306 [1,1,0,0,0,0|2,0,0]=4 1484 B10R1.4 CNCc1ccccc1Br 270004a_106832991635_100000211189 [1,1,0,0,0,0|2,0,0]=4 1485 B10R1.4 CNCc1ccccc1Br 34a_100000689332_200000210301 [1,1,0,0,0,0|2,0,0]=4 1486 B10R1.4 CNCc1ccccc1Br 34a_100102657272_100000184730 [1,1,0,0,0,0|2,0,0]=4 1487 B10R1.4 CNCc1ccccc1Br 7a_106832991635_100000184730 [1,1,0,0,0,0|2,0,0]=4 1488 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,1,0,0,0,0|2,0,0]=4 1489 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,1,0,0,0,0|2,0,0]=4 1490 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,1,0,0,0,0|2,0,0]=4 1491 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,1,0,0,0,0|2,0,0]=4 1492 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,1,0,0,0,0|2,0,0]=4 1493 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,1,0,0,0,0|2,0,0]=4 1494 B10R1.4 CNCc1ccccc1Cl 207a_100102657272_100000210073 [1,1,0,0,0,0|2,0,0]=4 1495 B10R1.4 CNCc1ccccc1Cl 2230a_100000174879_200000210301 [1,1,0,0,0,0|2,0,0]=4 1496 B10R1.4 CNCc1ccccc1Cl 2230a_106832991635_100000187162 [1,1,0,0,0,0|2,0,0]=4 1497 B10R1.4 CNCc1ccccc1Cl 26a_100102657272_100000210172 [1,1,0,0,0,0|2,0,0]=4 1498 B10R1.4 CNCc1ccccc1Cl 270004a_106832991635_100000210073 [1,1,0,0,0,0|2,0,0]=4 1499 B10R1.4 CNCc1ccccc1Cl 34a_100000174879_200000210301 [1,1,0,0,0,0|2,0,0]=4 1500 B10R1.4 CNCc1ccccc1Cl 34a_100102657272_100000187162 [1,1,0,0,0,0|2,0,0]=4 1501 B10R1.4 CNCc1ccccc1Cl 7a_106832991635_100000187162 [1,1,0,0,0,0|2,0,0]=4 1502 B10R1.4 CNCc1ccccc1F 207a_100102657272_100000210811 [1,1,0,0,0,0|2,0,0]=4 1503 B10R1.4 CNCc1ccccc1F 2230a_106832991635_100000211605 [1,1,0,0,0,0|2,0,0]=4 1504 B10R1.4 CNCc1ccccc1F 270004a_106832991635_100000210811 [1,1,0,0,0,0|2,0,0]=4 1505 B10R1.4 CNCc1ccccc1F 34a_100000174869_200000210301 [1,1,0,0,0,0|2,0,0]=4 1506 B10R1.4 CNCc1ccccc1F 34a_100102657272_100000211605 [1,1,0,0,0,0|2,0,0]=4 1507 B10R1.4 CNCc1ccccc1F 7a_106832991635_100000211605 [1,1,0,0,0,0|2,0,0]=4 1508 B10R1.4 CNCc1ccccc1I 207a_100102657272_100000010305 [1,1,0,0,0,0|2,0,0]=4 1509 B10R1.4 CNCc1ccccc1I 2230a_106832991635_100011215278 [1,1,0,0,0,0|2,0,0]=4 1510 B10R1.4 CNCc1ccccc1I 270004a_106832991635_100000010305 [1,1,0,0,0,0|2,0,0]=4 1511 B10R1.4 CNCc1ccccc1I 34a_100102657272_100011215278 [1,1,0,0,0,0|2,0,0]=4 1512 B10R1.4 CNCc1ccccc1I 7a_106832991635_100011215278 [1,1,0,0,0,0|2,0,0]=4 1513 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [1,1,0,0,0,0|2,0,0]=4 1514 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [1,1,0,0,0,0|2,0,0]=4 1515 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [1,1,0,0,0,0|2,0,0]=4 1516 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [1,1,0,0,0,0|2,0,0]=4 1517 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [1,1,0,0,0,0|2,0,0]=4 1518 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,1,0,0,0,0|2,0,0]=4 1519 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,1,0,0,0,0|2,0,0]=4 1520 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,1,0,0,0,0|2,0,0]=4 1521 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [1,1,0,0,0,0|2,0,0]=4 1522 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [1,1,0,0,0,0|2,0,0]=4 1523 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [1,1,0,0,0,0|2,0,0]=4 1524 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [1,1,0,0,0,0|2,0,0]=4 1525 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [1,1,0,0,0,0|2,0,0]=4 1526 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [1,1,0,0,0,0|2,0,0]=4 1527 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [1,1,0,0,0,0|2,0,0]=4 1528 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [1,1,0,0,0,0|2,0,0]=4 1529 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [1,1,0,0,0,0|2,0,0]=4 1530 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [1,1,0,0,0,0|2,0,0]=4 1531 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [1,1,0,0,0,0|2,0,0]=4 1532 B10R1.4 CSCc1ccccc1Br 62a_100000184730_200000210301 [1,1,0,0,0,0|2,0,0]=4 1533 B10R1.4 CSCc1ccccc1Br 62a_200000210301_100000184730 [1,1,0,0,0,0|2,0,0]=4 1534 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [1,1,0,0,0,0|2,0,0]=4 1535 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [1,1,0,0,0,0|2,0,0]=4 1536 B10R1.4 CSCc1ccccc1Cl 62a_100000187162_200000210301 [1,1,0,0,0,0|2,0,0]=4 1537 B10R1.4 CSCc1ccccc1Cl 62a_200000210301_100000187162 [1,1,0,0,0,0|2,0,0]=4 1538 B10R1.4 CSCc1ccccc1F 62a_100000211605_200000210301 [1,1,0,0,0,0|2,0,0]=4 1539 B10R1.4 CSCc1ccccc1F 62a_200000210301_100000211605 [1,1,0,0,0,0|2,0,0]=4 1540 B10R1.4 CSCc1ccccc1I 62a_100011216222_200000210301 [1,1,0,0,0,0|2,0,0]=4 1541 B10R1.4 CSCc1ccccc1I 62a_200000210301_100011216222 [1,1,0,0,0,0|2,0,0]=4 1542 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [1,1,0,0,0,0|2,0,0]=4 1543 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,1,0,0,0,0|2,0,0]=4 1544 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,1,0,0,0,0|2,0,0]=4 1545 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,1,0,0,0,0|2,0,0]=4 1546 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [1,1,0,0,0,0|2,0,0]=4 1547 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [1,1,0,0,0,0|2,0,0]=4 1548 B10R1.4 Cc1ccccc1OCF 34a_100000210338_100015361967 [1,1,0,0,0,0|1,0,1]=4 1549 B10R1.4 Cc1ccccc1OCF 7a_100000210338_100015361967 [1,1,0,0,0,0|1,0,1]=4 1550 B10R1.4 FCOc1ccccc1Br 34a_100000181306_100015361967 [1,1,0,0,0,0|1,0,1]=4 1551 B10R1.4 FCOc1ccccc1Br 7a_100000181306_100015361967 [1,1,0,0,0,0|1,0,1]=4 1552 B10R1.4 FCOc1ccccc1Cl 34a_100000210172_100015361967 [1,1,0,0,0,0|1,0,1]=4 1553 B10R1.4 FCOc1ccccc1Cl 7a_100000210172_100015361967 [1,1,0,0,0,0|1,0,1]=4 1554 B10R1.4 FCOc1ccccc1F 34a_100000210171_100015361967 [1,1,0,0,0,0|1,0,1]=4 1555 B10R1.4 FCOc1ccccc1F 7a_100000210171_100015361967 [1,1,0,0,0,0|1,0,1]=4 1556 B10R1.4 FCOc1ccccc1I 34a_100000739446_100015361967 [1,1,0,0,0,0|1,0,1]=4 1557 B10R1.4 FCOc1ccccc1I 7a_100000739446_100015361967 [1,1,0,0,0,0|1,0,1]=4 1558 B10R1.4 Nc1ccccc1OCF 34a_100000185747_100015361967 [1,1,0,0,0,0|1,0,1]=4 1559 B10R1.4 Nc1ccccc1OCF 7a_100000185747_100015361967 [1,1,0,0,0,0|1,0,1]=4 1560 B10R1.4 [13CH3]NCc1ccccc1Br 2230a_100000689332_200025704644 [1,1,0,0,0,0|2,0,0]=4 1561 B10R1.4 [13CH3]NCc1ccccc1Br 34a_100000689332_200025704644 [1,1,0,0,0,0|2,0,0]=4 1562 B10R1.4 [13CH3]NCc1ccccc1Cl 2230a_100000174879_200025704644 [1,1,0,0,0,0|2,0,0]=4 1563 B10R1.4 [13CH3]NCc1ccccc1Cl 34a_100000174879_200025704644 [1,1,0,0,0,0|2,0,0]=4 1564 B10R1.4 [13CH3]NCc1ccccc1F 34a_100000174869_200025704644 [1,1,0,0,0,0|2,0,0]=4 1565 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [1,1,0,0,0,0|2,0,0]=4 1566 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [1,1,0,0,0,0|2,0,0]=4 1567 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [1,1,0,0,0,0|2,0,0]=4 1568 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [1,1,0,0,0,0|2,0,0]=4 1569 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [1,1,0,0,0,0|2,0,0]=4 1570 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [1,1,0,0,0,0|2,0,0]=4 1571 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [1,1,0,0,0,0|2,0,0]=4 1572 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [1,1,0,0,0,0|2,0,0]=4 1573 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [1,1,0,0,0,0|2,0,0]=4 1574 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [1,1,0,0,0,0|2,0,0]=4 1575 B10R1.4 [13CH3]SCc1ccccc1Br 62a_100000184730_200025704644 [1,1,0,0,0,0|2,0,0]=4 1576 B10R1.4 [13CH3]SCc1ccccc1Br 62a_200025704644_100000184730 [1,1,0,0,0,0|2,0,0]=4 1577 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_100000187162_200025704644 [1,1,0,0,0,0|2,0,0]=4 1578 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_200025704644_100000187162 [1,1,0,0,0,0|2,0,0]=4 1579 B10R1.4 [13CH3]SCc1ccccc1F 62a_100000211605_200025704644 [1,1,0,0,0,0|2,0,0]=4 1580 B10R1.4 [13CH3]SCc1ccccc1F 62a_200025704644_100000211605 [1,1,0,0,0,0|2,0,0]=4 1581 B10R1.4 [13CH3]SCc1ccccc1I 62a_100011216222_200025704644 [1,1,0,0,0,0|2,0,0]=4 1582 B10R1.4 [13CH3]SCc1ccccc1I 62a_200025704644_100011216222 [1,1,0,0,0,0|2,0,0]=4 1583 B10R1.10 C=CCc1cccc(c1)O 271570a_203496583355_100009816576 [1,1,0,0,0,0|1,0,1]=4 1584 B10R1.10 CC#Cc1cccc(c1)O 271570a_203496583355_200009843338 [1,1,0,0,0,0|1,0,1]=4 1585 B10R1.10 CC=Cc1cc(ccn1)C 271570a_100016259895_100000750283 [1,1,0,0,0,0|2,0,0]=4 1586 B10R1.10 CC=Cc1cc(ccn1)Cl 271570a_100016259895_100010167805 [1,1,0,0,0,0|2,0,0]=4 1587 B10R1.10 CC=Cc1cc(ccn1)F 271570a_100016259895_100009817058 [1,1,0,0,0,0|2,0,0]=4 1588 B10R1.10 CC=Cc1cc(ccn1)N 271570a_100016259895_100009814236 [1,1,0,0,0,0|2,0,0]=4 1589 B10R1.10 CC=Cc1cc(ccn1)O 271570a_100016259895_100000762945 [1,1,0,0,0,0|2,0,0]=4 1590 B10R1.10 CC=Cc1cc[nH]c(=O)c1 271570a_100016259895_100009816521 [1,1,0,0,0,0|2,0,0]=4 1591 B10R1.10 CC=Cc1ccc[n+](c1)C 271570a_100016259895_100009996589 [1,1,0,0,0,0|2,0,0]=4 1592 B10R1.10 CC=Cc1ccc[n+](c1)[O-] 271570a_100016259895_100009815978 [1,1,0,0,0,0|2,0,0]=4 1593 B10R1.10 CC=Cc1cccc(=O)[nH]1 271570a_100016259895_100000761760 [1,1,0,0,0,0|2,0,0]=4 1594 B10R1.10 CC=Cc1cccc(c1)Br 271570a_100016259895_100000691529 [1,1,0,0,0,0|1,0,0]=3 1595 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [1,1,0,0,0,0|1,0,0]=3 1596 B10R1.10 CC=Cc1cccc(c1)Cl 271570a_100016259895_100000699651 [1,1,0,0,0,0|1,0,0]=3 1597 B10R1.10 CC=Cc1cccc(c1)F 271570a_100016259895_100000685547 [1,1,0,0,0,0|1,0,0]=3 1598 B10R1.10 CC=Cc1cccc(c1)N 271570a_100016259895_100000210019 [1,1,0,0,0,0|1,0,0]=3 1599 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [1,1,0,0,0,0|1,0,0]=3 1600 B10R1.10 CC=Cc1cccc(c1)[S] 271570a_100016259895_114929384022 [1,1,0,0,0,0|1,0,0]=3 1601 B10R1.10 CC=Cc1cccc(n1)Br 271570a_100016259895_100000684672 [1,1,0,0,0,0|2,0,0]=4 1602 B10R1.10 CC=Cc1cccc(n1)C 271570a_100016259895_100000742759 [1,1,0,0,0,0|2,0,0]=4 1603 B10R1.10 CC=Cc1cccc(n1)F 271570a_100016259895_100009815982 [1,1,0,0,0,0|2,0,0]=4 1604 B10R1.10 CC=Cc1cccc(n1)N 271570a_100016259895_100000740741 [1,1,0,0,0,0|2,0,0]=4 1605 B10R1.10 CC=Cc1ccnc(c1)Br 271570a_100016259895_100009814637 [1,1,0,0,0,0|2,0,0]=4 1606 B10R1.10 CC=Cc1ccnc(c1)C 271570a_100016259895_100000758586 [1,1,0,0,0,0|2,0,0]=4 1607 B10R1.10 CC=Cc1ccnc(c1)Cl 271570a_100016259895_100000035001 [1,1,0,0,0,0|2,0,0]=4 1608 B10R1.10 CC=Cc1ccnc(c1)F 271570a_100016259895_100009816116 [1,1,0,0,0,0|2,0,0]=4 1609 B10R1.10 CC=Cc1ccnc(c1)N 271570a_100016259895_100000744379 [1,1,0,0,0,0|2,0,0]=4 1610 B10R1.10 CC=Cc1cncc(c1)Br 271570a_100016259895_100000728054 [1,1,0,0,0,0|2,0,0]=4 1611 B10R1.10 CC=Cc1cncc(c1)C 271570a_100016259895_100000760492 [1,1,0,0,0,0|2,0,0]=4 1612 B10R1.10 CC=Cc1cncc(c1)Cl 271570a_100016259895_100000049639 [1,1,0,0,0,0|2,0,0]=4 1613 B10R1.10 CC=Cc1cncc(c1)F 271570a_100016259895_100000744099 [1,1,0,0,0,0|2,0,0]=4 1614 B10R1.10 CC=Cc1cncc(c1)N 271570a_100016259895_100000687067 [1,1,0,0,0,0|2,0,0]=4 1615 B10R1.10 CC=Cc1cncc(c1)O 271570a_100016259895_100000754920 [1,1,0,0,0,0|2,0,0]=4 1616 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [1,1,0,0,0,0|1,0,1]=4 1617 B10R1.10 CCNc1cccc(c1)Br 34a_100000210019_100000210202 [1,1,0,0,0,0|1,0,1]=4 1618 B10R1.10 CCNc1cccc(c1)C 2230a_100000188690_100000210202 [1,1,0,0,0,0|1,0,1]=4 1619 B10R1.10 CCNc1cccc(c1)C 34a_100000188690_100000210202 [1,1,0,0,0,0|1,0,1]=4 1620 B10R1.10 CCNc1cccc(c1)Cl 34a_100000185859_100000210202 [1,1,0,0,0,0|1,0,1]=4 1621 B10R1.10 CCNc1cccc(c1)F 34a_100000210047_100000210202 [1,1,0,0,0,0|1,0,1]=4 1622 B10R1.10 CCNc1cccc(c1)I 34a_100000211102_100000210202 [1,1,0,0,0,0|1,0,1]=4 1623 B10R1.10 CCNc1cccc(c1)O 271570a_203496583355_100000738899 [1,1,0,0,0,0|1,0,1]=4 1624 B10R1.10 CCNc1cccc(c1)O 34a_100000210217_100000210202 [1,1,0,0,0,0|1,0,1]=4 1625 B10R1.10 CCOc1cc(ccn1)O 271570a_203496583355_100009995528 [1,1,0,0,0,0|1,0,1]=4 1626 B10R1.10 CCOc1cc[nH]c(=O)c1 34a_100000032262_100000210202 [1,1,0,0,0,0|1,0,1]=4 1627 B10R1.10 CCOc1ccc[n+](c1)[O-] 34a_100000039713_100000210202 [1,1,0,0,0,0|1,0,1]=4 1628 B10R1.10 CCOc1ccc[n+](c1)[O-] 7a_100000039713_100000210202 [1,1,0,0,0,0|1,0,1]=4 1629 B10R1.10 CCOc1cccc(=O)[nH]1 34a_100000033347_100000210202 [1,1,0,0,0,0|1,0,1]=4 1630 B10R1.10 CCOc1cccc(c1)Br 34a_100000210342_100000210202 [1,1,0,0,0,0|0,0,1]=3 1631 B10R1.10 CCOc1cccc(c1)Br 7a_100000210342_100000210202 [1,1,0,0,0,0|0,0,1]=3 1632 B10R1.10 CCOc1cccc(c1)C 34a_100000210337_100000210202 [1,1,0,0,0,0|0,0,1]=3 1633 B10R1.10 CCOc1cccc(c1)C 7a_100000210337_100000210202 [1,1,0,0,0,0|0,0,1]=3 1634 B10R1.10 CCOc1cccc(c1)Cl 34a_100000210295_100000210202 [1,1,0,0,0,0|0,0,1]=3 1635 B10R1.10 CCOc1cccc(c1)Cl 7a_100000210295_100000210202 [1,1,0,0,0,0|0,0,1]=3 1636 B10R1.10 CCOc1cccc(c1)F 34a_100000210426_100000210202 [1,1,0,0,0,0|0,0,1]=3 1637 B10R1.10 CCOc1cccc(c1)F 7a_100000210426_100000210202 [1,1,0,0,0,0|0,0,1]=3 1638 B10R1.10 CCOc1cccc(c1)I 34a_100000211634_100000210202 [1,1,0,0,0,0|0,0,1]=3 1639 B10R1.10 CCOc1cccc(c1)I 7a_100000211634_100000210202 [1,1,0,0,0,0|0,0,1]=3 1640 B10R1.10 CCOc1cccc(c1)N 34a_100000210217_100000210202 [1,1,0,0,0,0|0,0,1]=3 1641 B10R1.10 CCOc1cccc(c1)O 271570a_203496583355_100000170002 [1,1,0,0,0,0|0,0,1]=3 1642 B10R1.10 CCOc1cccc(n1)F 34a_100011432558_100000210202 [1,1,0,0,0,0|1,0,1]=4 1643 B10R1.10 CCOc1cccc(n1)O 271570a_203496583355_100000752924 [1,1,0,0,0,0|1,0,1]=4 1644 B10R1.10 CCOc1ccnc(c1)C 34a_100000688365_100000210202 [1,1,0,0,0,0|1,0,1]=4 1645 B10R1.10 CCOc1ccnc(c1)Cl 34a_100000762945_100000210202 [1,1,0,0,0,0|1,0,1]=4 1646 B10R1.10 CCOc1ccnc(c1)F 34a_100000732698_100000210202 [1,1,0,0,0,0|1,0,1]=4 1647 B10R1.10 CCOc1ccnc(c1)N 34a_100011834064_100000210202 [1,1,0,0,0,0|1,0,1]=4 1648 B10R1.10 CCOc1ccnc(c1)O 271570a_203496583355_100011922638 [1,1,0,0,0,0|1,0,1]=4 1649 B10R1.10 CCOc1cncc(c1)Br 34a_100000754920_100000210202 [1,1,0,0,0,0|1,0,1]=4 1650 B10R1.10 CCOc1cncc(c1)Br 7a_100000754920_100000210202 [1,1,0,0,0,0|1,0,1]=4 1651 B10R1.10 CCOc1cncc(c1)C 34a_100011830280_100000210202 [1,1,0,0,0,0|1,0,1]=4 1652 B10R1.10 CCOc1cncc(c1)C 7a_100011830280_100000210202 [1,1,0,0,0,0|1,0,1]=4 1653 B10R1.10 CCOc1cncc(c1)Cl 7a_100000032511_100000210202 [1,1,0,0,0,0|1,0,1]=4 1654 B10R1.10 CCOc1cncc(c1)F 34a_100011830296_100000210202 [1,1,0,0,0,0|1,0,1]=4 1655 B10R1.10 CCOc1cncc(c1)F 7a_100011830296_100000210202 [1,1,0,0,0,0|1,0,1]=4 1656 B10R1.10 CCOc1cncc(c1)N 34a_100011997051_100000210202 [1,1,0,0,0,0|1,0,1]=4 1657 B10R1.10 CCOc1cncc(c1)O 271570a_203496583355_100012029586 [1,1,0,0,0,0|1,0,1]=4 1658 B10R1.10 CCSc1cccc(c1)Br 62a_100000210202_100000691529 [1,1,0,0,0,0|0,1,1]=4 1659 B10R1.10 CCSc1cccc(c1)Br 62a_100000691529_100000210202 [1,1,0,0,0,0|0,1,1]=4 1660 B10R1.10 CCSc1cccc(c1)C 62a_100000210202_100011215228 [1,1,0,0,0,0|0,1,1]=4 1661 B10R1.10 CCSc1cccc(c1)C 62a_100011215228_100000210202 [1,1,0,0,0,0|0,1,1]=4 1662 B10R1.10 CCSc1cccc(c1)Cl 62a_100000210202_100000699651 [1,1,0,0,0,0|0,1,1]=4 1663 B10R1.10 CCSc1cccc(c1)Cl 62a_100000699651_100000210202 [1,1,0,0,0,0|0,1,1]=4 1664 B10R1.10 CCSc1cccc(c1)F 62a_100000210202_100000685547 [1,1,0,0,0,0|0,1,1]=4 1665 B10R1.10 CCSc1cccc(c1)F 62a_100000685547_100000210202 [1,1,0,0,0,0|0,1,1]=4 1666 B10R1.10 CCSc1cccc(c1)N 62a_100000210019_100000210202 [1,1,0,0,0,0|0,1,1]=4 1667 B10R1.10 CCSc1cccc(c1)N 62a_100000210202_100000210019 [1,1,0,0,0,0|0,1,1]=4 1668 B10R1.10 CCSc1cccc(c1)O 271570a_203496583355_100000703699 [1,1,0,0,0,0|0,1,1]=4 1669 B10R1.10 CCSc1cccc(c1)O 62a_100000210202_100000211634 [1,1,0,0,0,0|0,1,1]=4 1670 B10R1.10 CCSc1cccc(c1)[S] 62a_100000210202_114929384022 [1,1,0,0,0,0|0,1,1]=4 1671 B10R1.10 CCSc1cccc(c1)[S] 62a_114929384022_100000210202 [1,1,0,0,0,0|0,1,1]=4 1672 B10R1.10 CNCc1cccc(c1)Br 207a_100102657272_100000210085 [1,1,0,0,0,0|2,0,0]=4 1673 B10R1.10 CNCc1cccc(c1)Br 2230a_100000174977_200000210301 [1,1,0,0,0,0|2,0,0]=4 1674 B10R1.10 CNCc1cccc(c1)Br 2230a_106832991635_100000698116 [1,1,0,0,0,0|2,0,0]=4 1675 B10R1.10 CNCc1cccc(c1)Br 26a_100102657272_100000210342 [1,1,0,0,0,0|2,0,0]=4 1676 B10R1.10 CNCc1cccc(c1)Br 270004a_106832991635_100000210085 [1,1,0,0,0,0|2,0,0]=4 1677 B10R1.10 CNCc1cccc(c1)Br 34a_100000174977_200000210301 [1,1,0,0,0,0|2,0,0]=4 1678 B10R1.10 CNCc1cccc(c1)Br 34a_100102657272_100000698116 [1,1,0,0,0,0|2,0,0]=4 1679 B10R1.10 CNCc1cccc(c1)Br 7a_106832991635_100000211773 [1,1,0,0,0,0|2,0,0]=4 1680 B10R1.10 CNCc1cccc(c1)C 207a_100102657272_100000211157 [1,1,0,0,0,0|2,0,0]=4 1681 B10R1.10 CNCc1cccc(c1)C 2230a_100000185548_200000210301 [1,1,0,0,0,0|2,0,0]=4 1682 B10R1.10 CNCc1cccc(c1)C 2230a_106832991635_100000211840 [1,1,0,0,0,0|2,0,0]=4 1683 B10R1.10 CNCc1cccc(c1)C 270004a_106832991635_100000211157 [1,1,0,0,0,0|2,0,0]=4 1684 B10R1.10 CNCc1cccc(c1)C 34a_100000185548_200000210301 [1,1,0,0,0,0|2,0,0]=4 1685 B10R1.10 CNCc1cccc(c1)C 34a_100102657272_100000211840 [1,1,0,0,0,0|2,0,0]=4 1686 B10R1.10 CNCc1cccc(c1)C 7a_106832991635_100000211840 [1,1,0,0,0,0|2,0,0]=4 1687 B10R1.10 CNCc1cccc(c1)Cl 207a_100102657272_100000210801 [1,1,0,0,0,0|2,0,0]=4 1688 B10R1.10 CNCc1cccc(c1)Cl 2230a_100000174878_200000210301 [1,1,0,0,0,0|2,0,0]=4 1689 B10R1.10 CNCc1cccc(c1)Cl 2230a_106832991635_100000181238 [1,1,0,0,0,0|2,0,0]=4 1690 B10R1.10 CNCc1cccc(c1)Cl 270004a_106832991635_100000210801 [1,1,0,0,0,0|2,0,0]=4 1691 B10R1.10 CNCc1cccc(c1)Cl 34a_100000174878_200000210301 [1,1,0,0,0,0|2,0,0]=4 1692 B10R1.10 CNCc1cccc(c1)Cl 34a_100102657272_100000187163 [1,1,0,0,0,0|2,0,0]=4 1693 B10R1.10 CNCc1cccc(c1)Cl 7a_106832991635_100000187163 [1,1,0,0,0,0|2,0,0]=4 1694 B10R1.10 CNCc1cccc(c1)F 207a_100102657272_100000210812 [1,1,0,0,0,0|2,0,0]=4 1695 B10R1.10 CNCc1cccc(c1)F 2230a_100000174948_200000210301 [1,1,0,0,0,0|2,0,0]=4 1696 B10R1.10 CNCc1cccc(c1)F 2230a_106832991635_100000230114 [1,1,0,0,0,0|2,0,0]=4 1697 B10R1.10 CNCc1cccc(c1)F 270004a_106832991635_100000210812 [1,1,0,0,0,0|2,0,0]=4 1698 B10R1.10 CNCc1cccc(c1)F 34a_100000174948_200000210301 [1,1,0,0,0,0|2,0,0]=4 1699 B10R1.10 CNCc1cccc(c1)F 34a_100102657272_100000187166 [1,1,0,0,0,0|2,0,0]=4 1700 B10R1.10 CNCc1cccc(c1)F 7a_106832991635_100000230114 [1,1,0,0,0,0|2,0,0]=4 1701 B10R1.10 CNCc1cccc(c1)I 207a_100102657272_100000014684 [1,1,0,0,0,0|2,0,0]=4 1702 B10R1.10 CNCc1cccc(c1)I 2230a_100000106179_200000210301 [1,1,0,0,0,0|2,0,0]=4 1703 B10R1.10 CNCc1cccc(c1)I 2230a_106832991635_100011218688 [1,1,0,0,0,0|2,0,0]=4 1704 B10R1.10 CNCc1cccc(c1)I 270004a_106832991635_100000014684 [1,1,0,0,0,0|2,0,0]=4 1705 B10R1.10 CNCc1cccc(c1)I 34a_100000106179_200000210301 [1,1,0,0,0,0|2,0,0]=4 1706 B10R1.10 CNCc1cccc(c1)I 34a_100102657272_100011218688 [1,1,0,0,0,0|2,0,0]=4 1707 B10R1.10 CNCc1cccc(c1)I 7a_106832991635_100011218688 [1,1,0,0,0,0|2,0,0]=4 1708 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [1,1,0,0,0,0|2,0,0]=4 1709 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [1,1,0,0,0,0|2,0,0]=4 1710 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [1,1,0,0,0,0|2,0,0]=4 1711 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [1,1,0,0,0,0|2,0,0]=4 1712 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [1,1,0,0,0,0|2,0,0]=4 1713 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [1,1,0,0,0,0|2,0,0]=4 1714 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [1,1,0,0,0,0|2,0,0]=4 1715 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [1,1,0,0,0,0|2,0,0]=4 1716 B10R1.10 COCc1cccc(c1)Br 34a_100000687537_200000210301 [1,1,0,0,0,0|2,0,0]=4 1717 B10R1.10 COCc1cccc(c1)Br 34a_100138415774_100000698116 [1,1,0,0,0,0|2,0,0]=4 1718 B10R1.10 COCc1cccc(c1)Br 7a_100000687537_200000210301 [1,1,0,0,0,0|2,0,0]=4 1719 B10R1.10 COCc1cccc(c1)C 34a_100011217746_200000210301 [1,1,0,0,0,0|2,0,0]=4 1720 B10R1.10 COCc1cccc(c1)C 34a_100138415774_100000211840 [1,1,0,0,0,0|2,0,0]=4 1721 B10R1.10 COCc1cccc(c1)C 7a_100011217746_200000210301 [1,1,0,0,0,0|2,0,0]=4 1722 B10R1.10 COCc1cccc(c1)Cl 34a_100000241301_200000210301 [1,1,0,0,0,0|2,0,0]=4 1723 B10R1.10 COCc1cccc(c1)Cl 34a_100138415774_100000187163 [1,1,0,0,0,0|2,0,0]=4 1724 B10R1.10 COCc1cccc(c1)Cl 7a_100000241301_200000210301 [1,1,0,0,0,0|2,0,0]=4 1725 B10R1.10 COCc1cccc(c1)F 34a_100000210976_200000210301 [1,1,0,0,0,0|2,0,0]=4 1726 B10R1.10 COCc1cccc(c1)F 34a_100138415774_100000187166 [1,1,0,0,0,0|2,0,0]=4 1727 B10R1.10 COCc1cccc(c1)F 7a_100000210976_200000210301 [1,1,0,0,0,0|2,0,0]=4 1728 B10R1.10 COCc1cccc(c1)I 34a_100011215336_200000210301 [1,1,0,0,0,0|2,0,0]=4 1729 B10R1.10 COCc1cccc(c1)I 34a_100138415774_100011218688 [1,1,0,0,0,0|2,0,0]=4 1730 B10R1.10 COCc1cccc(c1)I 7a_100011215336_200000210301 [1,1,0,0,0,0|2,0,0]=4 1731 B10R1.10 COCc1cccc(c1)N 34a_100000211919_200000210301 [1,1,0,0,0,0|2,0,0]=4 1732 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [1,1,0,0,0,0|2,0,0]=4 1733 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [1,1,0,0,0,0|2,0,0]=4 1734 B10R1.10 CSCc1cccc(c1)Br 62a_100000211773_200000210301 [1,1,0,0,0,0|2,0,0]=4 1735 B10R1.10 CSCc1cccc(c1)Br 62a_200000210301_100000211773 [1,1,0,0,0,0|2,0,0]=4 1736 B10R1.10 CSCc1cccc(c1)C 62a_100000211840_200000210301 [1,1,0,0,0,0|2,0,0]=4 1737 B10R1.10 CSCc1cccc(c1)C 62a_200000210301_100000211840 [1,1,0,0,0,0|2,0,0]=4 1738 B10R1.10 CSCc1cccc(c1)Cl 62a_100000187163_200000210301 [1,1,0,0,0,0|2,0,0]=4 1739 B10R1.10 CSCc1cccc(c1)Cl 62a_200000210301_100000187163 [1,1,0,0,0,0|2,0,0]=4 1740 B10R1.10 CSCc1cccc(c1)F 62a_100000230114_200000210301 [1,1,0,0,0,0|2,0,0]=4 1741 B10R1.10 CSCc1cccc(c1)F 62a_200000210301_100000230114 [1,1,0,0,0,0|2,0,0]=4 1742 B10R1.10 CSCc1cccc(c1)I 62a_100011218688_200000210301 [1,1,0,0,0,0|2,0,0]=4 1743 B10R1.10 CSCc1cccc(c1)I 62a_200000210301_100011218688 [1,1,0,0,0,0|2,0,0]=4 1744 B10R1.10 CSCc1cccc(c1)O 62a_100011660834_200000210301 [1,1,0,0,0,0|2,0,0]=4 1745 B10R1.10 CSCc1cccc(c1)O 62a_200000210301_100011660834 [1,1,0,0,0,0|2,0,0]=4 1746 B10R1.10 Cc1cccc(c1)CN[13CH3] 2230a_100000185548_200025704644 [1,1,0,0,0,0|2,0,0]=4 1747 B10R1.10 Cc1cccc(c1)CN[13CH3] 34a_100000185548_200025704644 [1,1,0,0,0,0|2,0,0]=4 1748 B10R1.10 Cc1cccc(c1)CO[13CH3] 34a_100011217746_200025704644 [1,1,0,0,0,0|2,0,0]=4 1749 B10R1.10 Cc1cccc(c1)CO[13CH3] 7a_100011217746_200025704644 [1,1,0,0,0,0|2,0,0]=4 1750 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_100000211840_200025704644 [1,1,0,0,0,0|2,0,0]=4 1751 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_200025704644_100000211840 [1,1,0,0,0,0|2,0,0]=4 1752 B10R1.10 Cc1cccc(c1)OCF 34a_100000210337_100015361967 [1,1,0,0,0,0|1,0,1]=4 1753 B10R1.10 Cc1cccc(c1)OCF 7a_100000210337_100015361967 [1,1,0,0,0,0|1,0,1]=4 1754 B10R1.10 FCOc1cccc(c1)Br 34a_100000210342_100015361967 [1,1,0,0,0,0|1,0,1]=4 1755 B10R1.10 FCOc1cccc(c1)Br 7a_100000210342_100015361967 [1,1,0,0,0,0|1,0,1]=4 1756 B10R1.10 FCOc1cccc(c1)Cl 34a_100000210295_100015361967 [1,1,0,0,0,0|1,0,1]=4 1757 B10R1.10 FCOc1cccc(c1)Cl 7a_100000210295_100015361967 [1,1,0,0,0,0|1,0,1]=4 1758 B10R1.10 FCOc1cccc(c1)F 34a_100000210426_100015361967 [1,1,0,0,0,0|1,0,1]=4 1759 B10R1.10 FCOc1cccc(c1)F 7a_100000210426_100015361967 [1,1,0,0,0,0|1,0,1]=4 1760 B10R1.10 FCOc1cccc(c1)I 34a_100000211634_100015361967 [1,1,0,0,0,0|1,0,1]=4 1761 B10R1.10 FCOc1cccc(c1)I 7a_100000211634_100015361967 [1,1,0,0,0,0|1,0,1]=4 1762 B10R1.10 Nc1cccc(c1)OCF 34a_100000210217_100015361967 [1,1,0,0,0,0|1,0,1]=4 1763 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [1,1,0,0,0,0|1,0,0]=3 1764 B10R1.10 [13CH3]NCc1cccc(c1)Br 2230a_100000174977_200025704644 [1,1,0,0,0,0|2,0,0]=4 1765 B10R1.10 [13CH3]NCc1cccc(c1)Br 34a_100000174977_200025704644 [1,1,0,0,0,0|2,0,0]=4 1766 B10R1.10 [13CH3]NCc1cccc(c1)Cl 2230a_100000174878_200025704644 [1,1,0,0,0,0|2,0,0]=4 1767 B10R1.10 [13CH3]NCc1cccc(c1)Cl 34a_100000174878_200025704644 [1,1,0,0,0,0|2,0,0]=4 1768 B10R1.10 [13CH3]NCc1cccc(c1)F 2230a_100000174948_200025704644 [1,1,0,0,0,0|2,0,0]=4 1769 B10R1.10 [13CH3]NCc1cccc(c1)F 34a_100000174948_200025704644 [1,1,0,0,0,0|2,0,0]=4 1770 B10R1.10 [13CH3]NCc1cccc(c1)I 2230a_100000106179_200025704644 [1,1,0,0,0,0|2,0,0]=4 1771 B10R1.10 [13CH3]NCc1cccc(c1)I 34a_100000106179_200025704644 [1,1,0,0,0,0|2,0,0]=4 1772 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [1,1,0,0,0,0|2,0,0]=4 1773 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [1,1,0,0,0,0|2,0,0]=4 1774 B10R1.10 [13CH3]OCc1cccc(c1)Br 34a_100000687537_200025704644 [1,1,0,0,0,0|2,0,0]=4 1775 B10R1.10 [13CH3]OCc1cccc(c1)Br 7a_100000687537_200025704644 [1,1,0,0,0,0|2,0,0]=4 1776 B10R1.10 [13CH3]OCc1cccc(c1)Cl 34a_100000241301_200025704644 [1,1,0,0,0,0|2,0,0]=4 1777 B10R1.10 [13CH3]OCc1cccc(c1)Cl 7a_100000241301_200025704644 [1,1,0,0,0,0|2,0,0]=4 1778 B10R1.10 [13CH3]OCc1cccc(c1)F 34a_100000210976_200025704644 [1,1,0,0,0,0|2,0,0]=4 1779 B10R1.10 [13CH3]OCc1cccc(c1)F 7a_100000210976_200025704644 [1,1,0,0,0,0|2,0,0]=4 1780 B10R1.10 [13CH3]OCc1cccc(c1)I 34a_100011215336_200025704644 [1,1,0,0,0,0|2,0,0]=4 1781 B10R1.10 [13CH3]OCc1cccc(c1)I 7a_100011215336_200025704644 [1,1,0,0,0,0|2,0,0]=4 1782 B10R1.10 [13CH3]OCc1cccc(c1)N 34a_100000211919_200025704644 [1,1,0,0,0,0|2,0,0]=4 1783 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_100000211773_200025704644 [1,1,0,0,0,0|2,0,0]=4 1784 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_200025704644_100000211773 [1,1,0,0,0,0|2,0,0]=4 1785 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_100000187163_200025704644 [1,1,0,0,0,0|2,0,0]=4 1786 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_200025704644_100000187163 [1,1,0,0,0,0|2,0,0]=4 1787 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_100000230114_200025704644 [1,1,0,0,0,0|2,0,0]=4 1788 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_200025704644_100000230114 [1,1,0,0,0,0|2,0,0]=4 1789 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_100011218688_200025704644 [1,1,0,0,0,0|2,0,0]=4 1790 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_200025704644_100011218688 [1,1,0,0,0,0|2,0,0]=4 1791 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_100011660834_200025704644 [1,1,0,0,0,0|2,0,0]=4 1792 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_200025704644_100011660834 [1,1,0,0,0,0|2,0,0]=4 1793 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,1,0,0,0,0|2,0,0]=4 1794 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,1,0,0,0,0|2,0,0]=4 1795 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,1,0,0,0,0|1,0,1]=4 1796 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [1,1,0,0,0,0|1,0,1]=4 1797 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [1,1,0,0,0,0|1,0,1]=4 1798 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [1,1,0,0,0,0|1,0,1]=4 1799 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [1,1,0,0,0,0|1,0,1]=4 1800 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [1,1,0,0,0,0|1,0,1]=4 1801 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [1,1,0,0,0,0|1,0,1]=4 1802 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [1,1,0,0,0,0|1,0,1]=4 1803 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [1,1,0,0,0,0|1,0,1]=4 1804 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [1,1,0,0,0,0|1,0,1]=4 1805 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,1,0,0,0,0|2,0,0]=4 1806 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,1,0,0,0,0|2,0,0]=4 1807 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,1,0,0,0,0|2,0,0]=4 1808 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,1,0,0,0,0|2,0,0]=4 1809 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,1,0,0,0,0|2,0,0]=4 1810 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,1,0,0,0,0|2,0,0]=4 1811 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,1,0,0,0,0|2,0,0]=4 1812 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,1,0,0,0,0|2,0,0]=4 1813 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,1,0,0,0,0|2,0,0]=4 1814 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,1,0,0,0,0|2,0,0]=4 1815 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,1,0,0,0,0|2,0,0]=4 1816 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,1,0,0,0,0|2,0,0]=4 1817 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,1,0,0,0,0|2,0,0]=4 1818 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,1,0,0,0,0|2,0,0]=4 1819 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,1,0,0,0,0|2,0,0]=4 1820 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,1,0,0,0,0|2,0,0]=4 1821 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,1,0,0,0,0|2,0,0]=4 1822 B10R1.17 C#CCOc1ccccc1 34a_100000210340_100000184674 [1,1,0,0,0,0|0,0,2]=4 1823 B10R1.17 C#CCOc1ccccc1 7a_100000210340_100000038162 [1,1,0,0,0,0|0,0,2]=4 1824 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [1,1,0,0,0,0|1,0,1]=4 1825 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [1,1,0,0,0,0|0,0,1]=3 1826 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [1,1,0,0,0,0|0,0,1]=3 1827 B10R1.17 C=CCOc1cccnc1 34a_100000210849_100015514636 [1,1,0,0,0,0|1,0,1]=4 1828 B10R1.17 C=CCOc1cccnc1 7a_100000210849_100015514636 [1,1,0,0,0,0|1,0,1]=4 1829 B10R1.17 C=CCOc1ccncc1 34a_100000212176_100015514636 [1,1,0,0,0,0|1,0,1]=4 1830 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [1,1,0,0,0,0|0,1,1]=4 1831 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [1,1,0,0,0,0|0,1,1]=4 1832 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [1,1,0,0,0,0|1,0,0]=3 1833 B10R1.17 CC=NNc1ccccn1 4a_100000183288_200000210099 [1,1,0,0,0,0|2,0,0]=4 1834 B10R1.17 CC=NNc1cccnc1 4a_100000728903_200000210099 [1,1,0,0,0,0|2,0,0]=4 1835 B10R1.17 CC=NNc1ccncc1 4a_100000698918_200000210099 [1,1,0,0,0,0|2,0,0]=4 1836 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [1,1,0,0,0,0|1,0,1]=4 1837 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [1,1,0,0,0,0|1,0,1]=4 1838 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [1,1,0,0,0,0|0,0,1]=3 1839 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [1,1,0,0,0,0|0,0,1]=3 1840 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [1,1,0,0,0,0|1,0,1]=4 1841 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [1,1,0,0,0,0|1,0,1]=4 1842 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [1,1,0,0,0,0|1,0,1]=4 1843 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [1,1,0,0,0,0|0,1,1]=4 1844 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [1,1,0,0,0,0|0,1,1]=4 1845 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [1,1,0,0,0,0|1,0,1]=4 1846 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [1,1,0,0,0,0|1,0,1]=4 1847 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [1,1,0,0,0,0|1,0,1]=4 1848 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [1,1,0,0,0,0|1,0,1]=4 1849 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [1,1,0,0,0,0|1,0,1]=4 1850 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [1,1,0,0,0,0|0,0,1]=3 1851 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [1,1,0,0,0,0|0,0,1]=3 1852 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [1,1,0,0,0,0|0,0,1]=3 1853 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [1,1,0,0,0,0|1,0,1]=4 1854 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [1,1,0,0,0,0|1,0,1]=4 1855 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [1,1,0,0,0,0|0,1,1]=4 1856 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [1,1,0,0,0,0|0,1,1]=4 1857 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [1,1,0,0,0,0|1,0,1]=4 1858 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [1,1,0,0,0,0|1,0,1]=4 1859 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [1,1,0,0,0,0|1,0,1]=4 1860 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [1,1,0,0,0,0|1,0,1]=4 1861 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [1,1,0,0,0,0|1,0,1]=4 1862 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [1,1,0,0,0,0|0,1,1]=4 1863 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [1,1,0,0,0,0|1,0,1]=4 1864 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [1,1,0,0,0,0|1,0,1]=4 1865 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [1,1,0,0,0,0|1,0,1]=4 1866 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [1,1,0,0,0,0|0,1,1]=4 1867 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [1,1,0,0,0,0|0,1,1]=4 1868 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [1,1,0,0,0,0|1,0,1]=4 1869 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [1,1,0,0,0,0|1,0,1]=4 1870 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [1,1,0,0,0,0|1,0,1]=4 1871 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [1,1,0,0,0,0|0,0,1]=3 1872 B10R1.17 CSCOc1cccnc1 34a_100000210849_100011218213 [1,1,0,0,0,0|1,0,1]=4 1873 B10R1.17 CSCOc1ccncc1 34a_100000212176_100011218213 [1,1,0,0,0,0|1,0,1]=4 1874 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [1,1,0,0,0,0|0,1,1]=4 1875 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [1,1,0,0,0,0|0,1,1]=4 1876 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [1,1,0,0,0,0|0,1,1]=4 1877 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [1,1,0,0,0,0|0,1,1]=4 1878 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [1,1,0,0,0,0|1,0,1]=4 1879 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [1,1,0,0,0,0|0,0,1]=3 1880 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [1,1,0,0,0,0|0,0,1]=3 1881 B10R1.17 FCCOc1cccnc1 34a_100000210849_100011217306 [1,1,0,0,0,0|1,0,1]=4 1882 B10R1.17 FCCOc1cccnc1 7a_100000210849_100011217306 [1,1,0,0,0,0|1,0,1]=4 1883 B10R1.17 FCCOc1ccncc1 34a_100000212176_100011217306 [1,1,0,0,0,0|1,0,1]=4 1884 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [1,1,0,0,0,0|0,1,1]=4 1885 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [1,1,0,0,0,0|0,1,1]=4 1886 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [1,1,0,0,0,0|2,0,0]=4 1887 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [1,1,0,0,0,0|1,0,1]=4 1888 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [1,1,0,0,0,0|1,0,1]=4 1889 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [1,1,0,0,0,0|2,0,0]=4 1890 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [1,1,0,0,0,0|2,0,0]=4 1891 B10R1.17 N#CCOc1ccccc1 7a_100000210340_100011215382 [1,1,0,0,0,0|0,0,2]=4 1892 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [1,1,0,0,0,0|1,0,0]=3 1893 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [1,1,0,0,0,0|0,0,0]=2 1894 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [1,1,0,0,0,0|0,0,0]=2 1895 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [1,1,0,0,0,0|1,0,0]=3 1896 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [1,1,0,0,0,0|1,0,0]=3 1897 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [1,1,0,0,0,0|1,0,0]=3 1898 B10R1.17 O=CCOc1ccnnc1 34a_100015204005_200009817547 [1,1,0,0,0,0|2,0,0]=4 1899 B10R1.17 O=CCOc1cncnc1 7a_100000754086_200015260668 [1,1,0,0,0,0|2,0,0]=4 1900 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [1,1,0,0,0,0|0,1,0]=3 1901 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [1,1,0,0,0,0|0,1,0]=3 1902 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [1,1,0,0,0,0|1,1,0]=4 1903 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [1,1,0,0,0,0|1,1,0]=4 1904 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [1,1,0,0,0,0|1,1,0]=4 1905 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [1,1,0,0,0,0|1,1,0]=4 1906 B10R1.17 O=CCSc1ccncc1 62a_100000728582_200015260668 [1,1,0,0,0,0|1,1,0]=4 1907 B10R1.17 O=CCSc1ccncc1 62a_200015260668_100000728582 [1,1,0,0,0,0|1,1,0]=4 1908 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [1,1,0,0,0,0|1,0,1]=4 1909 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [1,1,0,0,0,0|0,0,1]=3 1910 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [1,1,0,0,0,0|0,0,1]=3 1911 B10R1.17 OCCOc1cccnc1 34a_100000210849_100000211926 [1,1,0,0,0,0|1,0,1]=4 1912 B10R1.17 OCCOc1cccnc1 7a_100000210849_100000211926 [1,1,0,0,0,0|1,0,1]=4 1913 B10R1.17 OCCOc1ccncc1 34a_100000212176_100000211926 [1,1,0,0,0,0|1,0,1]=4 1914 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [1,1,0,0,0,0|0,1,1]=4 1915 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [1,1,0,0,0,0|0,1,1]=4 1916 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [1,1,0,0,0,0|1,0,1]=4 1917 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [1,1,0,0,0,0|1,0,1]=4 1918 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [1,1,0,0,0,0|1,0,1]=4 1919 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [1,1,0,0,0,0|1,0,1]=4 1920 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [1,1,0,0,0,0|1,0,1]=4 1921 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [1,1,0,0,0,0|1,0,1]=4 1922 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [1,1,0,0,0,0|0,1,1]=4 1923 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [1,1,0,0,0,0|0,1,1]=4 1924 B10R1.13 C=C(C)c1cc[n+](cc1)[O-] 271570a_100000694244_100000039755 [0,1,0,0,1,0|2,0,0]=4 1925 B10R1.13 C=C(C)c1ccc(=O)[nH]c1 271570a_100000694244_100000212171 [0,1,0,0,1,0|2,0,0]=4 1926 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [0,1,0,0,1,0|1,0,0]=3 1927 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [0,1,0,0,1,0|1,0,0]=3 1928 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [0,1,0,0,1,0|1,0,0]=3 1929 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [0,1,0,0,1,0|1,0,0]=3 1930 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [0,1,0,0,1,0|1,0,0]=3 1931 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [0,1,0,0,1,0|1,0,0]=3 1932 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [0,1,0,0,1,0|1,0,0]=3 1933 B10R1.13 C=C(C)c1ccc(cn1)Br 271570a_100000694244_100000686858 [0,1,0,0,1,0|2,0,0]=4 1934 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [0,1,0,0,1,0|2,0,0]=4 1935 B10R1.13 C=C(C)c1ccc(cn1)Cl 271570a_100000694244_100011356976 [0,1,0,0,1,0|2,0,0]=4 1936 B10R1.13 C=C(C)c1ccc(cn1)F 271570a_100000694244_100000744514 [0,1,0,0,1,0|2,0,0]=4 1937 B10R1.13 C=C(C)c1ccc(cn1)N 271570a_100000694244_100000744251 [0,1,0,0,1,0|2,0,0]=4 1938 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [0,1,0,0,1,0|2,0,0]=4 1939 B10R1.13 C=C(C)c1ccc(nc1)Br 271570a_100000694244_100009814638 [0,1,0,0,1,0|2,0,0]=4 1940 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [0,1,0,0,1,0|2,0,0]=4 1941 B10R1.13 C=C(C)c1ccc(nc1)Cl 271570a_100000694244_100000034144 [0,1,0,0,1,0|2,0,0]=4 1942 B10R1.13 C=C(C)c1ccc(nc1)F 271570a_100000694244_100000748661 [0,1,0,0,1,0|2,0,0]=4 1943 B10R1.13 C=C(C)c1ccc(nc1)N 271570a_100000694244_100000187370 [0,1,0,0,1,0|2,0,0]=4 1944 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [0,1,0,0,1,0|0,0,0]=2 1945 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [0,1,0,0,1,0|0,0,0]=2 1946 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [0,1,0,0,1,0|0,0,0]=2 1947 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [0,1,0,0,1,0|0,0,0]=2 1948 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [0,1,0,0,1,0|0,0,0]=2 1949 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [0,1,0,0,1,0|0,0,0]=2 1950 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [0,1,0,0,1,0|0,0,0]=2 1951 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [0,1,0,0,1,0|1,0,0]=3 1952 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [0,1,0,0,1,0|1,0,0]=3 1953 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [0,1,0,0,1,0|2,0,0]=4 1954 B10R1.13 CC(=O)c1cnc(nc1)O 271570a_203496583355_100000099681 [0,1,0,0,1,0|2,0,0]=4 1955 B10R1.13 CC(=O)c1ncc(cn1)O 271570a_203496583355_100010077182 [0,1,0,0,1,0|2,0,0]=4 1956 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [0,1,0,0,1,0|1,0,1]=4 1957 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [0,1,0,0,1,0|0,0,2]=4 1958 B10R1.13 CN(C)c1ccc(cc1)Br 2230a_100000219623_200000210301 [0,1,0,0,1,0|2,0,0]=4 1959 B10R1.13 CN(C)c1ccc(cc1)Br 269982a_100000219623_200000210301 [0,1,0,0,1,0|2,0,0]=4 1960 B10R1.13 CN(C)c1ccc(cc1)Br 34a_100000219623_200000210301 [0,1,0,0,1,0|2,0,0]=4 1961 B10R1.13 CN(C)c1ccc(cc1)Cl 2230a_100020629279_200000210301 [0,1,0,0,1,0|2,0,0]=4 1962 B10R1.13 CN(C)c1ccc(cc1)Cl 269982a_100020629279_200000210301 [0,1,0,0,1,0|2,0,0]=4 1963 B10R1.13 CN(C)c1ccc(cc1)Cl 34a_100020629279_200000210301 [0,1,0,0,1,0|2,0,0]=4 1964 B10R1.13 CN(C)c1ccc(cc1)F 2230a_100000219829_200000210301 [0,1,0,0,1,0|2,0,0]=4 1965 B10R1.13 CN(C)c1ccc(cc1)F 269982a_100000219829_200000210301 [0,1,0,0,1,0|2,0,0]=4 1966 B10R1.13 CN(C)c1ccc(cc1)F 34a_100000219829_200000210301 [0,1,0,0,1,0|2,0,0]=4 1967 B10R1.13 CN(C)c1ccc(cc1)I 2230a_100000743151_200000210301 [0,1,0,0,1,0|2,0,0]=4 1968 B10R1.13 CN(C)c1ccc(cc1)I 269982a_100000743151_200000210301 [0,1,0,0,1,0|2,0,0]=4 1969 B10R1.13 CN(C)c1ccc(cc1)I 34a_100000743151_200000210301 [0,1,0,0,1,0|2,0,0]=4 1970 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [0,1,0,0,1,0|2,0,0]=4 1971 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [0,1,0,0,1,0|2,0,0]=4 1972 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [0,1,0,0,1,0|2,0,0]=4 1973 B10R1.13 CN([13CH3])c1ccc(cc1)Br 2230a_100000219623_200025704644 [0,1,0,0,1,0|2,0,0]=4 1974 B10R1.13 CN([13CH3])c1ccc(cc1)Br 269982a_100000219623_200025704644 [0,1,0,0,1,0|2,0,0]=4 1975 B10R1.13 CN([13CH3])c1ccc(cc1)Br 34a_100000219623_200025704644 [0,1,0,0,1,0|2,0,0]=4 1976 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 2230a_100020629279_200025704644 [0,1,0,0,1,0|2,0,0]=4 1977 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 269982a_100020629279_200025704644 [0,1,0,0,1,0|2,0,0]=4 1978 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 34a_100020629279_200025704644 [0,1,0,0,1,0|2,0,0]=4 1979 B10R1.13 CN([13CH3])c1ccc(cc1)F 2230a_100000219829_200025704644 [0,1,0,0,1,0|2,0,0]=4 1980 B10R1.13 CN([13CH3])c1ccc(cc1)F 269982a_100000219829_200025704644 [0,1,0,0,1,0|2,0,0]=4 1981 B10R1.13 CN([13CH3])c1ccc(cc1)F 34a_100000219829_200025704644 [0,1,0,0,1,0|2,0,0]=4 1982 B10R1.13 CN([13CH3])c1ccc(cc1)I 2230a_100000743151_200025704644 [0,1,0,0,1,0|2,0,0]=4 1983 B10R1.13 CN([13CH3])c1ccc(cc1)I 269982a_100000743151_200025704644 [0,1,0,0,1,0|2,0,0]=4 1984 B10R1.13 CN([13CH3])c1ccc(cc1)I 34a_100000743151_200025704644 [0,1,0,0,1,0|2,0,0]=4 1985 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [0,1,0,0,1,0|2,0,0]=4 1986 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [0,1,0,0,1,0|2,0,0]=4 1987 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [0,1,0,0,1,0|1,0,0]=3 1988 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [0,1,0,0,1,0|1,0,1]=4 1989 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [0,1,0,0,1,0|1,0,1]=4 1990 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [0,1,0,0,1,0|0,0,0]=2 1991 B10R1.13 Cc1ccc(cc1)N(C)C 2230a_100000219977_200000210301 [0,1,0,0,1,0|2,0,0]=4 1992 B10R1.13 Cc1ccc(cc1)N(C)C 269982a_100000219977_200000210301 [0,1,0,0,1,0|2,0,0]=4 1993 B10R1.13 Cc1ccc(cc1)N(C)C 34a_100000219977_200000210301 [0,1,0,0,1,0|2,0,0]=4 1994 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 2230a_100000219977_200025704644 [0,1,0,0,1,0|2,0,0]=4 1995 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 269982a_100000219977_200025704644 [0,1,0,0,1,0|2,0,0]=4 1996 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 34a_100000219977_200025704644 [0,1,0,0,1,0|2,0,0]=4 1997 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [0,1,0,0,1,0|1,0,0]=3 1998 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [0,1,0,0,1,0|2,0,0]=4 1999 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [0,1,0,0,1,0|2,0,0]=4 2000 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [0,1,0,0,1,0|0,0,0]=2 2001 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [0,1,0,0,1,0|0,0,0]=2 2002 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [0,1,0,0,1,0|0,0,0]=2 2003 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [0,1,0,0,1,0|0,0,0]=2 2004 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [0,1,0,0,1,0|0,0,0]=2 2005 B10R1.61 C=C(C)c1c[nH]ccc1=O 271570a_100000694244_100009998708 [0,1,0,0,1,0|2,0,0]=4 2006 B10R1.61 C=C(C)c1c[nH]ccc1=S 271570a_100000694244_200012280681 [0,1,0,0,1,0|2,0,0]=4 2007 B10R1.61 C=C(C)c1ccc[nH]c1=O 271570a_100000694244_100000050042 [0,1,0,0,1,0|2,0,0]=4 2008 B10R1.61 C=C(C)c1cccc[n+]1C 271570a_100000694244_100000212160 [0,1,0,0,1,0|2,0,0]=4 2009 B10R1.61 C=C(C)c1cccc[n+]1[O-] 271570a_100000694244_200000042595 [0,1,0,0,1,0|2,0,0]=4 2010 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [0,1,0,0,1,0|1,0,0]=3 2011 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [0,1,0,0,1,0|1,0,0]=3 2012 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [0,1,0,0,1,0|1,0,0]=3 2013 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [0,1,0,0,1,0|1,0,0]=3 2014 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [0,1,0,0,1,0|1,0,0]=3 2015 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [0,1,0,0,1,0|1,0,0]=3 2016 B10R1.61 C=C(C)c1cccnc1Br 271570a_100000694244_100010202626 [0,1,0,0,1,0|2,0,0]=4 2017 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [0,1,0,0,1,0|2,0,0]=4 2018 B10R1.61 C=C(C)c1cccnc1Cl 271570a_100000694244_100000036424 [0,1,0,0,1,0|2,0,0]=4 2019 B10R1.61 C=C(C)c1cccnc1F 271570a_100000694244_100009816115 [0,1,0,0,1,0|2,0,0]=4 2020 B10R1.61 C=C(C)c1cccnc1N 271570a_100000694244_100000045569 [0,1,0,0,1,0|2,0,0]=4 2021 B10R1.61 C=C(C)c1ccncc1Br 271570a_100000694244_100000726257 [0,1,0,0,1,0|2,0,0]=4 2022 B10R1.61 C=C(C)c1ccncc1C 271570a_100000694244_100015191297 [0,1,0,0,1,0|2,0,0]=4 2023 B10R1.61 C=C(C)c1ccncc1Cl 271570a_100000694244_100000708259 [0,1,0,0,1,0|2,0,0]=4 2024 B10R1.61 C=C(C)c1ccncc1F 271570a_100000694244_100000047030 [0,1,0,0,1,0|2,0,0]=4 2025 B10R1.61 C=C(C)c1ccncc1N 271570a_100000694244_100009815883 [0,1,0,0,1,0|2,0,0]=4 2026 B10R1.61 C=C(C)c1ccncc1O 271570a_100000694244_100009817591 [0,1,0,0,1,0|2,0,0]=4 2027 B10R1.61 C=C(C)c1cnccc1Br 271570a_100000694244_100010138639 [0,1,0,0,1,0|2,0,0]=4 2028 B10R1.61 C=C(C)c1cnccc1C 271570a_100000694244_100000761580 [0,1,0,0,1,0|2,0,0]=4 2029 B10R1.61 C=C(C)c1cnccc1Cl 271570a_100000694244_100009995489 [0,1,0,0,1,0|2,0,0]=4 2030 B10R1.61 C=C(C)c1cnccc1F 271570a_100000694244_100009820683 [0,1,0,0,1,0|2,0,0]=4 2031 B10R1.61 C=C(C)c1cnccc1N 271570a_100000694244_100000047001 [0,1,0,0,1,0|2,0,0]=4 2032 B10R1.61 C=C(C)c1ncccc1Br 271570a_100000694244_100000696092 [0,1,0,0,1,0|2,0,0]=4 2033 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [0,1,0,0,1,0|2,0,0]=4 2034 B10R1.61 C=C(C)c1ncccc1Cl 271570a_100000694244_100011356963 [0,1,0,0,1,0|2,0,0]=4 2035 B10R1.61 C=C(C)c1ncccc1F 271570a_100000694244_100000685392 [0,1,0,0,1,0|2,0,0]=4 2036 B10R1.61 C=C(C)c1ncccc1N 271570a_100000694244_100000688686 [0,1,0,0,1,0|2,0,0]=4 2037 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [0,1,0,0,1,0|2,0,0]=4 2038 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [0,1,0,0,1,0|0,0,0]=2 2039 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [0,1,0,0,1,0|0,0,0]=2 2040 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [0,1,0,0,1,0|0,0,0]=2 2041 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [0,1,0,0,1,0|0,0,0]=2 2042 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [0,1,0,0,1,0|0,0,0]=2 2043 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [0,1,0,0,1,0|0,0,0]=2 2044 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [0,1,0,0,1,0|0,0,0]=2 2045 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [0,1,0,0,1,0|0,0,0]=2 2046 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [0,1,0,0,1,0|1,0,0]=3 2047 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [0,1,0,0,1,0|1,0,0]=3 2048 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [0,1,0,0,1,0|1,0,0]=3 2049 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [0,1,0,0,1,0|1,0,0]=3 2050 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [0,1,0,0,1,0|2,0,0]=4 2051 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [0,1,0,0,1,0|1,0,1]=4 2052 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [0,1,0,0,1,0|1,0,1]=4 2053 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [0,1,0,0,1,0|0,0,2]=4 2054 B10R1.61 CN(C)c1ccccc1Br 2230a_100020606079_200000210301 [0,1,0,0,1,0|2,0,0]=4 2055 B10R1.61 CN(C)c1ccccc1Br 269982a_100020606079_200000210301 [0,1,0,0,1,0|2,0,0]=4 2056 B10R1.61 CN(C)c1ccccc1Br 34a_100020606079_200000210301 [0,1,0,0,1,0|2,0,0]=4 2057 B10R1.61 CN(C)c1ccccc1Cl 2230a_100000219374_200000210301 [0,1,0,0,1,0|2,0,0]=4 2058 B10R1.61 CN(C)c1ccccc1Cl 269982a_100000219374_200000210301 [0,1,0,0,1,0|2,0,0]=4 2059 B10R1.61 CN(C)c1ccccc1Cl 34a_100000219374_200000210301 [0,1,0,0,1,0|2,0,0]=4 2060 B10R1.61 CN(C)c1ccccc1F 2230a_100000220357_200000210301 [0,1,0,0,1,0|2,0,0]=4 2061 B10R1.61 CN(C)c1ccccc1F 269982a_100000220357_200000210301 [0,1,0,0,1,0|2,0,0]=4 2062 B10R1.61 CN(C)c1ccccc1F 34a_100000220357_200000210301 [0,1,0,0,1,0|2,0,0]=4 2063 B10R1.61 CN(C)c1ccccc1F 38a_100000220357_200000210301 [0,1,0,0,1,0|2,0,0]=4 2064 B10R1.61 CN(C)c1ccccc1O 269982a_100000033821_200000210301 [0,1,0,0,1,0|2,0,0]=4 2065 B10R1.61 CN(C)c1ccccc1O 271570a_203496583355_100011290883 [0,1,0,0,1,0|2,0,0]=4 2066 B10R1.61 CN([13CH3])c1ccccc1Br 2230a_100020606079_200025704644 [0,1,0,0,1,0|2,0,0]=4 2067 B10R1.61 CN([13CH3])c1ccccc1Br 269982a_100020606079_200025704644 [0,1,0,0,1,0|2,0,0]=4 2068 B10R1.61 CN([13CH3])c1ccccc1Br 34a_100020606079_200025704644 [0,1,0,0,1,0|2,0,0]=4 2069 B10R1.61 CN([13CH3])c1ccccc1Cl 2230a_100000219374_200025704644 [0,1,0,0,1,0|2,0,0]=4 2070 B10R1.61 CN([13CH3])c1ccccc1Cl 269982a_100000219374_200025704644 [0,1,0,0,1,0|2,0,0]=4 2071 B10R1.61 CN([13CH3])c1ccccc1Cl 34a_100000219374_200025704644 [0,1,0,0,1,0|2,0,0]=4 2072 B10R1.61 CN([13CH3])c1ccccc1F 2230a_100000220357_200025704644 [0,1,0,0,1,0|2,0,0]=4 2073 B10R1.61 CN([13CH3])c1ccccc1F 269982a_100000220357_200025704644 [0,1,0,0,1,0|2,0,0]=4 2074 B10R1.61 CN([13CH3])c1ccccc1F 34a_100000220357_200025704644 [0,1,0,0,1,0|2,0,0]=4 2075 B10R1.61 CN([13CH3])c1ccccc1F 38a_100000220357_200025704644 [0,1,0,0,1,0|2,0,0]=4 2076 B10R1.61 CN([13CH3])c1ccccc1O 269982a_100000033821_200025704644 [0,1,0,0,1,0|2,0,0]=4 2077 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [0,1,0,0,1,0|1,0,0]=3 2078 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [0,1,0,0,1,0|0,0,0]=2 2079 B10R1.61 Cc1ccccc1N(C)C 2230a_100000219699_200000210301 [0,1,0,0,1,0|2,0,0]=4 2080 B10R1.61 Cc1ccccc1N(C)C 269982a_100000219699_200000210301 [0,1,0,0,1,0|2,0,0]=4 2081 B10R1.61 Cc1ccccc1N(C)C 34a_100000219699_200000210301 [0,1,0,0,1,0|2,0,0]=4 2082 B10R1.61 Cc1ccccc1N(C)[13CH3] 2230a_100000219699_200025704644 [0,1,0,0,1,0|2,0,0]=4 2083 B10R1.61 Cc1ccccc1N(C)[13CH3] 269982a_100000219699_200025704644 [0,1,0,0,1,0|2,0,0]=4 2084 B10R1.61 Cc1ccccc1N(C)[13CH3] 34a_100000219699_200025704644 [0,1,0,0,1,0|2,0,0]=4 2085 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [0,1,0,0,1,0|1,0,0]=3 2086 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [0,1,0,0,1,0|2,0,0]=4 2087 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [0,1,0,0,1,0|2,0,0]=4 2088 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [0,1,0,0,1,0|2,0,0]=4 2089 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [0,1,0,0,1,0|2,0,0]=4 2090 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [0,1,0,0,1,0|0,0,0]=2 2091 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [0,1,0,0,1,0|0,0,0]=2 2092 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [0,1,0,0,1,0|0,0,0]=2 2093 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [0,1,0,0,1,0|0,0,0]=2 2094 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [0,1,0,0,1,0|0,0,0]=2 2095 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [0,1,0,0,1,0|0,0,0]=2 2096 B10R1.113 C=C(C)c1cc(ccn1)C 271570a_100000694244_100000750283 [0,1,0,0,1,0|2,0,0]=4 2097 B10R1.113 C=C(C)c1cc(ccn1)Cl 271570a_100000694244_100010167805 [0,1,0,0,1,0|2,0,0]=4 2098 B10R1.113 C=C(C)c1cc(ccn1)F 271570a_100000694244_100009817058 [0,1,0,0,1,0|2,0,0]=4 2099 B10R1.113 C=C(C)c1cc(ccn1)N 271570a_100000694244_100009814236 [0,1,0,0,1,0|2,0,0]=4 2100 B10R1.113 C=C(C)c1cc(ccn1)O 271570a_100000694244_100000762945 [0,1,0,0,1,0|2,0,0]=4 2101 B10R1.113 C=C(C)c1cc[nH]c(=O)c1 271570a_100000694244_100009816521 [0,1,0,0,1,0|2,0,0]=4 2102 B10R1.113 C=C(C)c1ccc[n+](c1)C 271570a_100000694244_100009996589 [0,1,0,0,1,0|2,0,0]=4 2103 B10R1.113 C=C(C)c1ccc[n+](c1)[O-] 271570a_100000694244_100009815978 [0,1,0,0,1,0|2,0,0]=4 2104 B10R1.113 C=C(C)c1cccc(=O)[nH]1 271570a_100000694244_100000761760 [0,1,0,0,1,0|2,0,0]=4 2105 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [0,1,0,0,1,0|1,0,0]=3 2106 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [0,1,0,0,1,0|1,0,0]=3 2107 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [0,1,0,0,1,0|1,0,0]=3 2108 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [0,1,0,0,1,0|1,0,0]=3 2109 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [0,1,0,0,1,0|1,0,0]=3 2110 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [0,1,0,0,1,0|1,0,0]=3 2111 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [0,1,0,0,1,0|1,0,0]=3 2112 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [0,1,0,0,1,0|1,0,0]=3 2113 B10R1.113 C=C(C)c1cccc(n1)Br 271570a_100000694244_100000684672 [0,1,0,0,1,0|2,0,0]=4 2114 B10R1.113 C=C(C)c1cccc(n1)C 271570a_100000694244_100000742759 [0,1,0,0,1,0|2,0,0]=4 2115 B10R1.113 C=C(C)c1cccc(n1)F 271570a_100000694244_100009815982 [0,1,0,0,1,0|2,0,0]=4 2116 B10R1.113 C=C(C)c1cccc(n1)N 271570a_100000694244_100000740741 [0,1,0,0,1,0|2,0,0]=4 2117 B10R1.113 C=C(C)c1ccnc(c1)Br 271570a_100000694244_100009814637 [0,1,0,0,1,0|2,0,0]=4 2118 B10R1.113 C=C(C)c1ccnc(c1)C 271570a_100000694244_100000758586 [0,1,0,0,1,0|2,0,0]=4 2119 B10R1.113 C=C(C)c1ccnc(c1)Cl 271570a_100000694244_100000035001 [0,1,0,0,1,0|2,0,0]=4 2120 B10R1.113 C=C(C)c1ccnc(c1)F 271570a_100000694244_100009816116 [0,1,0,0,1,0|2,0,0]=4 2121 B10R1.113 C=C(C)c1ccnc(c1)N 271570a_100000694244_100000744379 [0,1,0,0,1,0|2,0,0]=4 2122 B10R1.113 C=C(C)c1cncc(c1)Br 271570a_100000694244_100000728054 [0,1,0,0,1,0|2,0,0]=4 2123 B10R1.113 C=C(C)c1cncc(c1)C 271570a_100000694244_100000760492 [0,1,0,0,1,0|2,0,0]=4 2124 B10R1.113 C=C(C)c1cncc(c1)Cl 271570a_100000694244_100000049639 [0,1,0,0,1,0|2,0,0]=4 2125 B10R1.113 C=C(C)c1cncc(c1)F 271570a_100000694244_100000744099 [0,1,0,0,1,0|2,0,0]=4 2126 B10R1.113 C=C(C)c1cncc(c1)N 271570a_100000694244_100000687067 [0,1,0,0,1,0|2,0,0]=4 2127 B10R1.113 C=C(C)c1cncc(c1)O 271570a_100000694244_100000754920 [0,1,0,0,1,0|2,0,0]=4 2128 B10R1.113 C=C(C)c1cncc(c1)O 271570a_203496583355_200009889500 [0,1,0,0,1,0|2,0,0]=4 2129 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [0,1,0,0,1,0|1,0,0]=3 2130 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [0,1,0,0,1,0|0,0,0]=2 2131 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,1,0,0,1,0|0,0,0]=2 2132 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [0,1,0,0,1,0|0,0,0]=2 2133 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [0,1,0,0,1,0|0,0,0]=2 2134 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [0,1,0,0,1,0|0,0,0]=2 2135 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [0,1,0,0,1,0|0,0,0]=2 2136 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [0,1,0,0,1,0|0,0,0]=2 2137 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [0,1,0,0,1,0|1,0,0]=3 2138 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [0,1,0,0,1,0|1,0,0]=3 2139 B10R1.113 CC(=O)c1ccnc(n1)O 271570a_203496583355_100010643186 [0,1,0,0,1,0|2,0,0]=4 2140 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [0,1,0,0,1,0|1,0,0]=3 2141 B10R1.113 CC(C)c1cccc(c1)O 271570a_203496583355_100011214899 [0,1,0,0,1,0|1,0,1]=4 2142 B10R1.113 CC(N)c1cccc(c1)O 271570a_203496583355_100020642005 [0,1,0,0,1,0|1,0,1]=4 2143 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [0,1,0,0,1,0|0,0,2]=4 2144 B10R1.113 CN(C)c1cccc(c1)Br 2230a_100000219648_200000210301 [0,1,0,0,1,0|2,0,0]=4 2145 B10R1.113 CN(C)c1cccc(c1)Br 269982a_100000219648_200000210301 [0,1,0,0,1,0|2,0,0]=4 2146 B10R1.113 CN(C)c1cccc(c1)Br 34a_100000219648_200000210301 [0,1,0,0,1,0|2,0,0]=4 2147 B10R1.113 CN(C)c1cccc(c1)Cl 2230a_100000220044_200000210301 [0,1,0,0,1,0|2,0,0]=4 2148 B10R1.113 CN(C)c1cccc(c1)Cl 269982a_100000220044_200000210301 [0,1,0,0,1,0|2,0,0]=4 2149 B10R1.113 CN(C)c1cccc(c1)Cl 34a_100000220044_200000210301 [0,1,0,0,1,0|2,0,0]=4 2150 B10R1.113 CN(C)c1cccc(c1)F 2230a_100020633736_200000210301 [0,1,0,0,1,0|2,0,0]=4 2151 B10R1.113 CN(C)c1cccc(c1)F 269982a_100020633736_200000210301 [0,1,0,0,1,0|2,0,0]=4 2152 B10R1.113 CN(C)c1cccc(c1)F 34a_100020633736_200000210301 [0,1,0,0,1,0|2,0,0]=4 2153 B10R1.113 CN(C)c1cccc(c1)I 2230a_100000221217_200000210301 [0,1,0,0,1,0|2,0,0]=4 2154 B10R1.113 CN(C)c1cccc(c1)I 269982a_100000221217_200000210301 [0,1,0,0,1,0|2,0,0]=4 2155 B10R1.113 CN(C)c1cccc(c1)I 34a_100000221217_200000210301 [0,1,0,0,1,0|2,0,0]=4 2156 B10R1.113 CN(C)c1cccc(c1)O 2230a_100000756613_200000210301 [0,1,0,0,1,0|2,0,0]=4 2157 B10R1.113 CN(C)c1cccc(c1)O 269982a_100000756613_200000210301 [0,1,0,0,1,0|2,0,0]=4 2158 B10R1.113 CN(C)c1cccc(c1)O 271570a_203496583355_100011215952 [0,1,0,0,1,0|2,0,0]=4 2159 B10R1.113 CN(C)c1cccc(c1)O 34a_100000756613_200000210301 [0,1,0,0,1,0|2,0,0]=4 2160 B10R1.113 CN([13CH3])c1cccc(c1)Br 2230a_100000219648_200025704644 [0,1,0,0,1,0|2,0,0]=4 2161 B10R1.113 CN([13CH3])c1cccc(c1)Br 269982a_100000219648_200025704644 [0,1,0,0,1,0|2,0,0]=4 2162 B10R1.113 CN([13CH3])c1cccc(c1)Br 34a_100000219648_200025704644 [0,1,0,0,1,0|2,0,0]=4 2163 B10R1.113 CN([13CH3])c1cccc(c1)Cl 2230a_100000220044_200025704644 [0,1,0,0,1,0|2,0,0]=4 2164 B10R1.113 CN([13CH3])c1cccc(c1)Cl 269982a_100000220044_200025704644 [0,1,0,0,1,0|2,0,0]=4 2165 B10R1.113 CN([13CH3])c1cccc(c1)Cl 34a_100000220044_200025704644 [0,1,0,0,1,0|2,0,0]=4 2166 B10R1.113 CN([13CH3])c1cccc(c1)F 2230a_100020633736_200025704644 [0,1,0,0,1,0|2,0,0]=4 2167 B10R1.113 CN([13CH3])c1cccc(c1)F 269982a_100020633736_200025704644 [0,1,0,0,1,0|2,0,0]=4 2168 B10R1.113 CN([13CH3])c1cccc(c1)F 34a_100020633736_200025704644 [0,1,0,0,1,0|2,0,0]=4 2169 B10R1.113 CN([13CH3])c1cccc(c1)I 2230a_100000221217_200025704644 [0,1,0,0,1,0|2,0,0]=4 2170 B10R1.113 CN([13CH3])c1cccc(c1)I 269982a_100000221217_200025704644 [0,1,0,0,1,0|2,0,0]=4 2171 B10R1.113 CN([13CH3])c1cccc(c1)I 34a_100000221217_200025704644 [0,1,0,0,1,0|2,0,0]=4 2172 B10R1.113 CN([13CH3])c1cccc(c1)O 2230a_100000756613_200025704644 [0,1,0,0,1,0|2,0,0]=4 2173 B10R1.113 CN([13CH3])c1cccc(c1)O 269982a_100000756613_200025704644 [0,1,0,0,1,0|2,0,0]=4 2174 B10R1.113 CN([13CH3])c1cccc(c1)O 34a_100000756613_200025704644 [0,1,0,0,1,0|2,0,0]=4 2175 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [0,1,0,0,1,0|1,0,0]=3 2176 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,1,0,0,1,0|0,0,0]=2 2177 B10R1.113 Cc1cccc(c1)N(C)C 2230a_100000219674_200000210301 [0,1,0,0,1,0|2,0,0]=4 2178 B10R1.113 Cc1cccc(c1)N(C)C 269982a_100000219674_200000210301 [0,1,0,0,1,0|2,0,0]=4 2179 B10R1.113 Cc1cccc(c1)N(C)C 34a_100000219674_200000210301 [0,1,0,0,1,0|2,0,0]=4 2180 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 2230a_100000219674_200025704644 [0,1,0,0,1,0|2,0,0]=4 2181 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 269982a_100000219674_200025704644 [0,1,0,0,1,0|2,0,0]=4 2182 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 34a_100000219674_200025704644 [0,1,0,0,1,0|2,0,0]=4 2183 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [0,1,0,0,1,0|2,0,0]=4 2184 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [0,1,0,0,1,0|1,0,0]=3 2185 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [0,1,0,0,1,0|2,0,0]=4 2186 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [0,1,0,0,1,0|2,0,0]=4 2187 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [0,1,0,0,1,0|2,0,0]=4 2188 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [0,1,0,0,1,0|0,0,0]=2 2189 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [0,1,0,0,1,0|0,0,0]=2 2190 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [0,1,0,0,1,0|0,0,0]=2 2191 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [0,1,0,0,1,0|0,0,0]=2 2192 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [0,1,0,0,1,0|0,0,0]=2 2193 B10R1.23 CC(=O)C(C)n1cccc1 1458a_100000243804_200000210301 [0,1,0,0,1,0|2,0,0]=4 2194 B10R1.23 CC(C(=O)[13CH3])n1cccc1 1458a_100000243804_200025704644 [0,1,0,0,1,0|2,0,0]=4 2195 B10R1.27 CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210202 [0,1,0,0,1,0|2,0,0]=4 2196 B10R1.27 CCC(=O)Cc1ccco1 1458a_100011217309_100000210202 [0,1,0,0,1,0|2,0,0]=4 2197 B10R1.27 CCC(=O)Cc1cccs1 1458a_100000210189_100000210202 [0,1,0,0,1,0|2,0,0]=4 2198 B10R1.27 CCC(=O)Cc1ccoc1 1458a_100000684892_100000210202 [0,1,0,0,1,0|2,0,0]=4 2199 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000184062_100000210202 [0,1,0,0,1,0|2,0,0]=4 2200 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000210414_100011233845 [0,1,0,0,1,0|2,0,0]=4 2201 B10R1.27 CCC(=O)Cn1cccc1 1458a_100011196272_100000210202 [0,1,0,0,1,0|2,0,0]=4 2202 B10R1.27 CNC(=O)Cc1ccc[nH]1 11a_106832991635_100000238377 [0,1,0,0,1,0|2,0,0]=4 2203 B10R1.27 CNC(=O)Cc1ccc[nH]1 240690a_100102657272_100000238377 [0,1,0,0,1,0|2,0,0]=4 2204 B10R1.27 CNC(=O)Cc1ccc[nH]1 527a_100102657272_100000238377 [0,1,0,0,1,0|2,0,0]=4 2205 B10R1.27 CNC(=O)Cc1ccco1 11a_106832991635_100011217309 [0,1,0,0,1,0|2,0,0]=4 2206 B10R1.27 CNC(=O)Cc1ccco1 527a_100102657272_100011217309 [0,1,0,0,1,0|2,0,0]=4 2207 B10R1.27 CNC(=O)Cc1cccs1 11a_106832991635_100000210189 [0,1,0,0,1,0|2,0,0]=4 2208 B10R1.27 CNC(=O)Cc1cccs1 1626a_100102657272_100000210189 [0,1,0,0,1,0|2,0,0]=4 2209 B10R1.27 CNC(=O)Cc1cccs1 240690a_100102657272_100000210189 [0,1,0,0,1,0|2,0,0]=4 2210 B10R1.27 CNC(=O)Cc1ccoc1 11a_106832991635_100000684892 [0,1,0,0,1,0|2,0,0]=4 2211 B10R1.27 CNC(=O)Cc1ccoc1 1626a_100102657272_100000684892 [0,1,0,0,1,0|2,0,0]=4 2212 B10R1.27 CNC(=O)Cc1ccoc1 240690a_100102657272_100000684892 [0,1,0,0,1,0|2,0,0]=4 2213 B10R1.27 CNC(=O)Cc1ccoc1 527a_100102657272_100000684892 [0,1,0,0,1,0|2,0,0]=4 2214 B10R1.27 CNC(=O)Cc1ccsc1 11a_106832991635_100000184062 [0,1,0,0,1,0|2,0,0]=4 2215 B10R1.27 CNC(=O)Cc1ccsc1 1626a_100102657272_100000184062 [0,1,0,0,1,0|2,0,0]=4 2216 B10R1.27 CNC(=O)Cc1ccsc1 240690a_100102657272_100000184062 [0,1,0,0,1,0|2,0,0]=4 2217 B10R1.27 CNC(=O)Cc1ccsc1 527a_100102657272_100000184062 [0,1,0,0,1,0|2,0,0]=4 2218 B10R1.27 CNC(=O)Cn1cccc1 11a_106832991635_100011196272 [0,1,0,0,1,0|2,0,0]=4 2219 B10R1.27 CNC(=O)Cn1cccc1 1626a_100102657272_100011196272 [0,1,0,0,1,0|2,0,0]=4 2220 B10R1.27 CNC(=O)Cn1cccc1 527a_100102657272_100011196272 [0,1,0,0,1,0|2,0,0]=4 2221 B10R1.27 O=C(CF)Cc1ccc[nH]1 1458a_100000238377_100015361967 [0,1,0,0,1,0|2,0,0]=4 2222 B10R1.27 O=C(CF)Cc1ccco1 1458a_100011217309_100015361967 [0,1,0,0,1,0|2,0,0]=4 2223 B10R1.27 O=C(CF)Cc1cccs1 1458a_100000210189_100015361967 [0,1,0,0,1,0|2,0,0]=4 2224 B10R1.27 O=C(CF)Cc1ccoc1 1458a_100000684892_100015361967 [0,1,0,0,1,0|2,0,0]=4 2225 B10R1.27 O=C(CF)Cc1ccsc1 1458a_100000184062_100015361967 [0,1,0,0,1,0|2,0,0]=4 2226 B10R1.27 O=C(CF)Cn1cccc1 1458a_100011196272_100015361967 [0,1,0,0,1,0|2,0,0]=4 2227 B10R1.27 O=C(CO)Cc1ccsc1 1458a_100000210174_100011233845 [0,1,0,0,1,0|2,0,0]=4 2228 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100000070787_100000746031 [0,1,0,0,1,0|2,0,0]=4 2229 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100011542370_200000210301 [0,1,0,0,1,0|2,0,0]=4 2230 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000070787_100000708592 [0,1,0,0,1,0|2,0,0]=4 2231 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000238643_200000210301 [0,1,0,0,1,0|2,0,0]=4 2232 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000070787_100000185097 [0,1,0,0,1,0|2,0,0]=4 2233 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000238644_200000210301 [0,1,0,0,1,0|2,0,0]=4 2234 B10R1.54 CC(=O)Nc1ccc(s1)O 271570a_203496583355_100010002808 [0,1,0,0,1,0|2,0,0]=4 2235 B10R1.54 [13CH3]C(=O)Cc1cc(cs1)Br 1458a_100011542370_200025704644 [0,1,0,0,1,0|2,0,0]=4 2236 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Br 1458a_100000238643_200025704644 [0,1,0,0,1,0|2,0,0]=4 2237 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Cl 1458a_100000238644_200025704644 [0,1,0,0,1,0|2,0,0]=4 2238 B10R1.64 CC(=O)Cc1ccsc1Br 1458a_100000070787_100009814289 [0,1,0,0,1,0|2,0,0]=4 2239 B10R1.64 CC(=O)Cc1ccsc1Cl 1458a_100000070787_100010167017 [0,1,0,0,1,0|2,0,0]=4 2240 B12R1.21 C=C(C)CNc1ccc(cc1)Br 2230a_100000210018_100000748629 [0,1,0,0,0,1|2,0,0]=4 2241 B12R1.21 C=C(C)CNc1ccc(cc1)Br 34a_100000210018_100000748629 [0,1,0,0,0,1|2,0,0]=4 2242 B12R1.21 C=C(C)CNc1ccc(cc1)C 34a_100000124888_100000748629 [0,1,0,0,0,1|2,0,0]=4 2243 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000748629 [0,1,0,0,0,1|2,0,0]=4 2244 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 34a_100000210052_100000748629 [0,1,0,0,0,1|2,0,0]=4 2245 B12R1.21 C=C(C)CNc1ccc(cc1)F 34a_100000185862_100000748629 [0,1,0,0,0,1|2,0,0]=4 2246 B12R1.21 C=C(C)CNc1ccc(cc1)I 34a_100000185761_100000748629 [0,1,0,0,0,1|2,0,0]=4 2247 B12R1.21 C=C(C)CNc1ccc(cc1)O 34a_100000185829_100000748629 [0,1,0,0,0,1|2,0,0]=4 2248 B12R1.21 C=C(C)COc1ccc(=O)[nH]c1 34a_100000075641_100000748629 [0,1,0,0,0,1|2,0,0]=4 2249 B12R1.21 C=C(C)COc1ccc(cc1)Br 34a_100000185759_100000748629 [0,1,0,0,0,1|1,0,0]=3 2250 B12R1.21 C=C(C)COc1ccc(cc1)Br 7a_100000185759_100000748629 [0,1,0,0,0,1|1,0,0]=3 2251 B12R1.21 C=C(C)COc1ccc(cc1)C 34a_100000210336_100000748629 [0,1,0,0,0,1|1,0,0]=3 2252 B12R1.21 C=C(C)COc1ccc(cc1)C 7a_100000210336_100000748629 [0,1,0,0,0,1|1,0,0]=3 2253 B12R1.21 C=C(C)COc1ccc(cc1)Cl 34a_100000210216_100000748629 [0,1,0,0,0,1|1,0,0]=3 2254 B12R1.21 C=C(C)COc1ccc(cc1)Cl 7a_100000210216_100000748629 [0,1,0,0,0,1|1,0,0]=3 2255 B12R1.21 C=C(C)COc1ccc(cc1)F 34a_100000210339_100000748629 [0,1,0,0,0,1|1,0,0]=3 2256 B12R1.21 C=C(C)COc1ccc(cc1)I 34a_100000212066_100000748629 [0,1,0,0,0,1|1,0,0]=3 2257 B12R1.21 C=C(C)COc1ccc(cc1)I 7a_100000212066_100000748629 [0,1,0,0,0,1|1,0,0]=3 2258 B12R1.21 C=C(C)COc1ccc(cc1)N 34a_100000185829_100000748629 [0,1,0,0,0,1|1,0,0]=3 2259 B12R1.21 C=C(C)COc1ccc(cn1)C 34a_100000759353_100000748629 [0,1,0,0,0,1|2,0,0]=4 2260 B12R1.21 C=C(C)COc1ccc(cn1)Cl 34a_100011215309_100000748629 [0,1,0,0,0,1|2,0,0]=4 2261 B12R1.21 C=C(C)COc1ccc(cn1)F 34a_100000742473_100000748629 [0,1,0,0,0,1|2,0,0]=4 2262 B12R1.21 C=C(C)COc1ccc(cn1)N 34a_100000729260_100000748629 [0,1,0,0,0,1|2,0,0]=4 2263 B12R1.21 C=C(C)COc1ccc(nc1)Br 34a_100000685995_100000748629 [0,1,0,0,0,1|2,0,0]=4 2264 B12R1.21 C=C(C)COc1ccc(nc1)Br 7a_100000685995_100000748629 [0,1,0,0,0,1|2,0,0]=4 2265 B12R1.21 C=C(C)COc1ccc(nc1)C 34a_100000745506_100000748629 [0,1,0,0,0,1|2,0,0]=4 2266 B12R1.21 C=C(C)COc1ccc(nc1)C 7a_100000745506_100000748629 [0,1,0,0,0,1|2,0,0]=4 2267 B12R1.21 C=C(C)COc1ccc(nc1)Cl 34a_100000744096_100000748629 [0,1,0,0,0,1|2,0,0]=4 2268 B12R1.21 C=C(C)COc1ccc(nc1)Cl 7a_100000744096_100000748629 [0,1,0,0,0,1|2,0,0]=4 2269 B12R1.21 C=C(C)COc1ccc(nc1)F 34a_100000688820_100000748629 [0,1,0,0,0,1|2,0,0]=4 2270 B12R1.21 C=C(C)COc1ccc(nc1)F 7a_100000688820_100000748629 [0,1,0,0,0,1|2,0,0]=4 2271 B12R1.21 C=C(C)COc1ccc(nc1)I 34a_100000687607_100000748629 [0,1,0,0,0,1|2,0,0]=4 2272 B12R1.21 C=C(C)COc1ccc(nc1)I 7a_100000687607_100000748629 [0,1,0,0,0,1|2,0,0]=4 2273 B12R1.21 C=C(C)COc1ccc(nc1)N 34a_100015188713_100000748629 [0,1,0,0,0,1|2,0,0]=4 2274 B12R1.21 C=C(C)COc1ccc(nc1)N 7a_100015188713_100000748629 [0,1,0,0,0,1|2,0,0]=4 2275 B12R1.21 C=C(C)CSc1ccc(cc1)Br 62a_100000748629_100000752885 [0,1,0,0,0,1|1,1,0]=4 2276 B12R1.21 C=C(C)CSc1ccc(cc1)Br 62a_100000752885_100000211660 [0,1,0,0,0,1|1,1,0]=4 2277 B12R1.21 C=C(C)CSc1ccc(cc1)C 62a_100000186775_100000211660 [0,1,0,0,0,1|1,1,0]=4 2278 B12R1.21 C=C(C)CSc1ccc(cc1)C 62a_100000748629_100000186775 [0,1,0,0,0,1|1,1,0]=4 2279 B12R1.21 C=C(C)CSc1ccc(cc1)Cl 62a_100000748629_100000755918 [0,1,0,0,0,1|1,1,0]=4 2280 B12R1.21 C=C(C)CSc1ccc(cc1)Cl 62a_100000755918_100000211660 [0,1,0,0,0,1|1,1,0]=4 2281 B12R1.21 C=C(C)CSc1ccc(cc1)F 62a_100000211213_100000211660 [0,1,0,0,0,1|1,1,0]=4 2282 B12R1.21 C=C(C)CSc1ccc(cc1)F 62a_100000748629_100000211213 [0,1,0,0,0,1|1,1,0]=4 2283 B12R1.21 C=C(C)CSc1ccc(cc1)N 62a_100000185761_100000211660 [0,1,0,0,0,1|1,1,0]=4 2284 B12R1.21 C=C(C)CSc1ccc(cc1)N 62a_100000748629_100000185761 [0,1,0,0,0,1|1,1,0]=4 2285 B12R1.21 C=C(C)CSc1ccc(cc1)O 62a_100000748629_100000185759 [0,1,0,0,0,1|1,1,0]=4 2286 B12R1.21 C=C(F)COc1ccc(cc1)Br 34a_100000185759_100009893438 [0,1,0,0,0,1|1,0,1]=4 2287 B12R1.21 C=C(F)COc1ccc(cc1)Br 7a_100000185759_100000042424 [0,1,0,0,0,1|1,0,1]=4 2288 B12R1.21 C=C(F)COc1ccc(cc1)C 34a_100000210336_100009893438 [0,1,0,0,0,1|1,0,1]=4 2289 B12R1.21 C=C(F)COc1ccc(cc1)C 7a_100000210336_100000042424 [0,1,0,0,0,1|1,0,1]=4 2290 B12R1.21 C=C(F)COc1ccc(cc1)Cl 34a_100000210216_100009893438 [0,1,0,0,0,1|1,0,1]=4 2291 B12R1.21 C=C(F)COc1ccc(cc1)Cl 7a_100000210216_100000042424 [0,1,0,0,0,1|1,0,1]=4 2292 B12R1.21 C=C(F)COc1ccc(cc1)F 34a_100000210339_100009893438 [0,1,0,0,0,1|1,0,1]=4 2293 B12R1.21 C=C(F)COc1ccc(cc1)I 34a_100000212066_100009893438 [0,1,0,0,0,1|1,0,1]=4 2294 B12R1.21 C=C(F)COc1ccc(cc1)I 7a_100000212066_100000042424 [0,1,0,0,0,1|1,0,1]=4 2295 B12R1.21 C=C(F)COc1ccc(cc1)N 34a_100000185829_100009893438 [0,1,0,0,0,1|1,0,1]=4 2296 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [0,1,0,0,0,1|1,0,0]=3 2297 B12R1.21 CC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200000210301 [0,1,0,0,0,1|1,0,0]=3 2298 B12R1.21 CC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200000210301 [0,1,0,0,0,1|1,0,0]=3 2299 B12R1.21 CC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200000210301 [0,1,0,0,0,1|1,0,0]=3 2300 B12R1.21 CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000210301 [0,1,0,0,0,1|1,0,0]=3 2301 B12R1.21 CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_200000210301 [0,1,0,0,0,1|1,0,0]=3 2302 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000210301 [0,1,0,0,0,1|1,0,0]=3 2303 B12R1.21 CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000210301 [0,1,0,0,0,1|1,0,0]=3 2304 B12R1.21 CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000210301 [0,1,0,0,0,1|1,0,0]=3 2305 B12R1.21 CC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200000210301 [0,1,0,0,0,1|2,0,0]=4 2306 B12R1.21 CC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_200000210301 [0,1,0,0,0,1|2,0,0]=4 2307 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [0,1,0,0,0,1|1,0,0]=3 2308 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [0,1,0,0,0,1|1,0,0]=3 2309 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [0,1,0,0,0,1|1,0,0]=3 2310 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [0,1,0,0,0,1|1,0,0]=3 2311 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [0,1,0,0,0,1|1,0,0]=3 2312 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [0,1,0,0,0,1|1,0,0]=3 2313 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [0,1,0,0,0,1|1,0,0]=3 2314 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [0,1,0,0,0,1|1,0,0]=3 2315 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [0,1,0,0,0,1|1,0,0]=3 2316 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [0,1,0,0,0,1|1,0,0]=3 2317 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [0,1,0,0,0,1|1,0,0]=3 2318 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [0,1,0,0,0,1|1,0,0]=3 2319 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [0,1,0,0,0,1|0,0,0]=2 2320 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [0,1,0,0,0,1|0,0,0]=2 2321 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [0,1,0,0,0,1|0,0,0]=2 2322 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [0,1,0,0,0,1|0,0,0]=2 2323 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [0,1,0,0,0,1|0,0,0]=2 2324 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [0,1,0,0,0,1|0,0,0]=2 2325 B12R1.21 CC(=O)COc1ncc(cn1)Br 1458a_200012356291_200000210301 [0,1,0,0,0,1|2,0,0]=4 2326 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [0,1,0,0,0,1|0,1,0]=3 2327 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [0,1,0,0,0,1|0,1,0]=3 2328 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [0,1,0,0,0,1|0,1,0]=3 2329 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [0,1,0,0,0,1|0,1,0]=3 2330 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [0,1,0,0,0,1|1,0,0]=3 2331 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [0,1,0,0,0,1|1,0,0]=3 2332 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [0,1,0,0,0,1|1,0,0]=3 2333 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [0,1,0,0,0,1|1,0,0]=3 2334 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [0,1,0,0,0,1|1,0,0]=3 2335 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [0,1,0,0,0,1|1,0,0]=3 2336 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [0,1,0,0,0,1|1,0,0]=3 2337 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [0,1,0,0,0,1|1,0,0]=3 2338 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [0,1,0,0,0,1|1,0,0]=3 2339 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [0,1,0,0,0,1|1,0,0]=3 2340 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [0,1,0,0,0,1|1,0,0]=3 2341 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [0,1,0,0,0,1|1,0,0]=3 2342 B12R1.21 CC(=O)NCc1ccc(cc1)F 11a_100000174882_100015343762 [0,1,0,0,0,1|1,0,0]=3 2343 B12R1.21 CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100015343762 [0,1,0,0,0,1|1,0,0]=3 2344 B12R1.21 CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100015343762 [0,1,0,0,0,1|1,0,0]=3 2345 B12R1.21 CC(=O)NCc1ccc(cc1)F 527a_100000174882_100103153847 [0,1,0,0,0,1|1,0,0]=3 2346 B12R1.21 CC(=O)NCc1ccc(cc1)I 11a_100016989417_100015343762 [0,1,0,0,0,1|1,0,0]=3 2347 B12R1.21 CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100015343762 [0,1,0,0,0,1|1,0,0]=3 2348 B12R1.21 CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100015343762 [0,1,0,0,0,1|1,0,0]=3 2349 B12R1.21 CC(=O)NCc1ccc(cc1)I 527a_100016989417_100103153847 [0,1,0,0,0,1|1,0,0]=3 2350 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [0,1,0,0,0,1|1,0,0]=3 2351 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [0,1,0,0,0,1|1,0,0]=3 2352 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [0,1,0,0,0,1|1,0,0]=3 2353 B12R1.21 CC(=O)NCc1ccc(cn1)Br 11a_100015188789_100015343762 [0,1,0,0,0,1|2,0,0]=4 2354 B12R1.21 CC(=O)NCc1ccc(cn1)Br 1626a_100015188789_100015343762 [0,1,0,0,0,1|2,0,0]=4 2355 B12R1.21 CC(=O)NCc1ccc(cn1)Br 240690a_100015188789_100015343762 [0,1,0,0,0,1|2,0,0]=4 2356 B12R1.21 CC(=O)NCc1ccc(cn1)Br 527a_100015188789_100103153847 [0,1,0,0,0,1|2,0,0]=4 2357 B12R1.21 CC(=O)NCc1ccc(cn1)C 11a_100015187455_100015343762 [0,1,0,0,0,1|2,0,0]=4 2358 B12R1.21 CC(=O)NCc1ccc(cn1)C 1626a_100015187455_100015343762 [0,1,0,0,0,1|2,0,0]=4 2359 B12R1.21 CC(=O)NCc1ccc(cn1)C 240690a_100015187455_100015343762 [0,1,0,0,0,1|2,0,0]=4 2360 B12R1.21 CC(=O)NCc1ccc(cn1)C 527a_100015187455_100103153847 [0,1,0,0,0,1|2,0,0]=4 2361 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 11a_100000697193_100015343762 [0,1,0,0,0,1|2,0,0]=4 2362 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 1626a_100000697193_100015343762 [0,1,0,0,0,1|2,0,0]=4 2363 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 240690a_100000697193_100015343762 [0,1,0,0,0,1|2,0,0]=4 2364 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 527a_100000697193_100103153847 [0,1,0,0,0,1|2,0,0]=4 2365 B12R1.21 CC(=O)NCc1ccc(cn1)F 11a_100020620131_100015343762 [0,1,0,0,0,1|2,0,0]=4 2366 B12R1.21 CC(=O)NCc1ccc(cn1)F 1626a_100020620131_100015343762 [0,1,0,0,0,1|2,0,0]=4 2367 B12R1.21 CC(=O)NCc1ccc(cn1)F 240690a_100020620131_100015343762 [0,1,0,0,0,1|2,0,0]=4 2368 B12R1.21 CC(=O)NCc1ccc(cn1)F 527a_100020620131_100103153847 [0,1,0,0,0,1|2,0,0]=4 2369 B12R1.21 CC(=O)NCc1ccc(cn1)O 240690a_100020605196_100015343762 [0,1,0,0,0,1|2,0,0]=4 2370 B12R1.21 CC(=O)NCc1ccc(nc1)Br 11a_100009817727_100015343762 [0,1,0,0,0,1|2,0,0]=4 2371 B12R1.21 CC(=O)NCc1ccc(nc1)Br 240690a_100009817727_100015343762 [0,1,0,0,0,1|2,0,0]=4 2372 B12R1.21 CC(=O)NCc1ccc(nc1)Br 527a_100009817727_100103153847 [0,1,0,0,0,1|2,0,0]=4 2373 B12R1.21 CC(=O)NCc1ccc(nc1)C 11a_100000740942_100015343762 [0,1,0,0,0,1|2,0,0]=4 2374 B12R1.21 CC(=O)NCc1ccc(nc1)C 1626a_100000740942_100015343762 [0,1,0,0,0,1|2,0,0]=4 2375 B12R1.21 CC(=O)NCc1ccc(nc1)C 240690a_100000740942_100015343762 [0,1,0,0,0,1|2,0,0]=4 2376 B12R1.21 CC(=O)NCc1ccc(nc1)C 527a_100000740942_100103153847 [0,1,0,0,0,1|2,0,0]=4 2377 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 11a_100000735879_100015343762 [0,1,0,0,0,1|2,0,0]=4 2378 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 1626a_100000735879_100015343762 [0,1,0,0,0,1|2,0,0]=4 2379 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 240690a_100000735879_100015343762 [0,1,0,0,0,1|2,0,0]=4 2380 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 527a_100000735879_100103153847 [0,1,0,0,0,1|2,0,0]=4 2381 B12R1.21 CC(=O)NCc1ccc(nc1)F 11a_100000101913_100015343762 [0,1,0,0,0,1|2,0,0]=4 2382 B12R1.21 CC(=O)NCc1ccc(nc1)F 1626a_100000101913_100015343762 [0,1,0,0,0,1|2,0,0]=4 2383 B12R1.21 CC(=O)NCc1ccc(nc1)F 240690a_100000101913_100015343762 [0,1,0,0,0,1|2,0,0]=4 2384 B12R1.21 CC(=O)NCc1ccc(nc1)F 527a_100000101913_100103153847 [0,1,0,0,0,1|2,0,0]=4 2385 B12R1.21 CC(=O)NCc1ccc(nc1)O 11a_100000757128_100015343762 [0,1,0,0,0,1|2,0,0]=4 2386 B12R1.21 CC(=O)NCc1ccc(nc1)O 240690a_100000757128_100015343762 [0,1,0,0,0,1|2,0,0]=4 2387 B12R1.21 CC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000070787 [0,1,0,0,0,1|1,0,0]=3 2388 B12R1.21 CC(=O)NNc1ccc(cc1)C 22a_100000683527_100000070787 [0,1,0,0,0,1|1,0,0]=3 2389 B12R1.21 CC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000070787 [0,1,0,0,0,1|1,0,0]=3 2390 B12R1.21 CC(=O)NNc1ccc(cc1)F 22a_100000728448_100000070787 [0,1,0,0,0,1|1,0,0]=3 2391 B12R1.21 CC(=O)NNc1ccc(cc1)I 22a_100016988836_100000070787 [0,1,0,0,0,1|1,0,0]=3 2392 B12R1.21 CC(=O)NNc1ccc(cc1)O 271570a_203496583355_200009815283 [0,1,0,0,0,1|1,0,0]=3 2393 B12R1.21 CC(=O)NNc1ccc(cn1)Br 22a_100000750576_100000070787 [0,1,0,0,0,1|2,0,0]=4 2394 B12R1.21 CC(=O)NNc1ccc(cn1)C 22a_100000746693_100000070787 [0,1,0,0,0,1|2,0,0]=4 2395 B12R1.21 CC(=O)NNc1ccc(cn1)Cl 22a_100011206499_100000070787 [0,1,0,0,0,1|2,0,0]=4 2396 B12R1.21 CC(=O)NNc1ccc(cn1)F 22a_100000753838_100000070787 [0,1,0,0,0,1|2,0,0]=4 2397 B12R1.21 CC(=O)NNc1ccc(cn1)I 22a_100010221006_100000070787 [0,1,0,0,0,1|2,0,0]=4 2398 B12R1.21 CC(=O)NNc1ccc(cn1)O 271570a_203496583355_200010175596 [0,1,0,0,0,1|2,0,0]=4 2399 B12R1.21 CC(=O)NNc1ccc(nc1)Br 22a_100000755011_100000070787 [0,1,0,0,0,1|2,0,0]=4 2400 B12R1.21 CC(=O)NNc1ccc(nc1)C 22a_100020639869_100000070787 [0,1,0,0,0,1|2,0,0]=4 2401 B12R1.21 CC(=O)NNc1ccc(nc1)Cl 22a_100000119030_100000070787 [0,1,0,0,0,1|2,0,0]=4 2402 B12R1.21 CC(=O)NNc1ccc(nc1)F 22a_100000120849_100000070787 [0,1,0,0,0,1|2,0,0]=4 2403 B12R1.21 CC(C)COc1ccc(cc1)Br 34a_100000185759_100000210624 [0,1,0,0,0,1|1,0,1]=4 2404 B12R1.21 CC(C)COc1ccc(cc1)Br 7a_100000185759_100000210760 [0,1,0,0,0,1|1,0,1]=4 2405 B12R1.21 CC(C)COc1ccc(cc1)Cl 34a_100000210216_100000210624 [0,1,0,0,0,1|1,0,1]=4 2406 B12R1.21 CC(C)COc1ccc(cc1)Cl 7a_100000210216_100000210760 [0,1,0,0,0,1|1,0,1]=4 2407 B12R1.21 CC(C)COc1ccc(cc1)F 34a_100000210339_100000210624 [0,1,0,0,0,1|1,0,1]=4 2408 B12R1.21 CC(C)COc1ccc(cc1)I 34a_100000212066_100000210624 [0,1,0,0,0,1|1,0,1]=4 2409 B12R1.21 CC(C)COc1ccc(cc1)I 7a_100000212066_100000210760 [0,1,0,0,0,1|1,0,1]=4 2410 B12R1.21 CC(C)COc1ccc(cc1)N 34a_100000185829_100000210624 [0,1,0,0,0,1|1,0,1]=4 2411 B12R1.21 CC(C)COc1ccc(cc1)O 271570a_203496583355_200000169949 [0,1,0,0,0,1|1,0,1]=4 2412 B12R1.21 CC(C)OCc1ccc(cc1)Br 34a_100000212225_100000189115 [0,1,0,0,0,1|1,0,1]=4 2413 B12R1.21 CC(C)OCc1ccc(cc1)Br 34a_100000695286_100000210206 [0,1,0,0,0,1|1,0,1]=4 2414 B12R1.21 CC(C)OCc1ccc(cc1)Cl 34a_100000211118_100000210206 [0,1,0,0,0,1|1,0,1]=4 2415 B12R1.21 CC(C)OCc1ccc(cc1)Cl 34a_100000212225_100000694040 [0,1,0,0,0,1|1,0,1]=4 2416 B12R1.21 CC(C)OCc1ccc(cc1)Cl 7a_100000211118_100000210206 [0,1,0,0,0,1|1,0,1]=4 2417 B12R1.21 CC(C)OCc1ccc(cc1)F 34a_100000210977_100000210206 [0,1,0,0,0,1|1,0,1]=4 2418 B12R1.21 CC(C)OCc1ccc(cc1)F 34a_100000212225_100000198546 [0,1,0,0,0,1|1,0,1]=4 2419 B12R1.21 CC(C)OCc1ccc(cc1)F 7a_100000210977_100000210206 [0,1,0,0,0,1|1,0,1]=4 2420 B12R1.21 CC(C)OCc1ccc(cc1)I 34a_100000212225_100000189116 [0,1,0,0,0,1|1,0,1]=4 2421 B12R1.21 CC(C)OCc1ccc(cc1)I 34a_100000690907_100000210206 [0,1,0,0,0,1|1,0,1]=4 2422 B12R1.21 CC(C)OCc1ccc(cc1)I 7a_100000690907_100000210206 [0,1,0,0,0,1|1,0,1]=4 2423 B12R1.21 CC(C)OCc1ccc(cc1)N 34a_100011215238_100000210206 [0,1,0,0,0,1|1,0,1]=4 2424 B12R1.21 CC(C)OCc1ccc(cc1)O 271570a_203496583355_100000758563 [0,1,0,0,0,1|1,0,1]=4 2425 B12R1.21 CC(O)COc1ccc(cc1)Br 34a_100000185759_100011218427 [0,1,0,0,0,1|0,0,2]=4 2426 B12R1.21 CC(O)COc1ccc(cc1)Br 7a_100000185759_100011218427 [0,1,0,0,0,1|0,0,2]=4 2427 B12R1.21 CC(O)COc1ccc(cc1)Cl 34a_100000210216_100011218427 [0,1,0,0,0,1|0,0,2]=4 2428 B12R1.21 CC(O)COc1ccc(cc1)Cl 7a_100000210216_100011218427 [0,1,0,0,0,1|0,0,2]=4 2429 B12R1.21 CC(O)COc1ccc(cc1)F 34a_100000210339_100011218427 [0,1,0,0,0,1|0,0,2]=4 2430 B12R1.21 CC(O)COc1ccc(cc1)I 34a_100000212066_100011218427 [0,1,0,0,0,1|0,0,2]=4 2431 B12R1.21 CC(O)COc1ccc(cc1)I 7a_100000212066_100011218427 [0,1,0,0,0,1|0,0,2]=4 2432 B12R1.21 CC(O)COc1ccc(cc1)N 34a_100000185829_100011218427 [0,1,0,0,0,1|0,0,2]=4 2433 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 34a_100000185759_100009817552 [0,1,0,0,0,1|0,0,2]=4 2434 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 7a_100000185759_100009817552 [0,1,0,0,0,1|0,0,2]=4 2435 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 34a_100000210216_100009817552 [0,1,0,0,0,1|0,0,2]=4 2436 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 7a_100000210216_100009817552 [0,1,0,0,0,1|0,0,2]=4 2437 B12R1.21 C[C@@H](O)COc1ccc(cc1)F 34a_100000210339_100009817552 [0,1,0,0,0,1|0,0,2]=4 2438 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 34a_100000212066_100009817552 [0,1,0,0,0,1|0,0,2]=4 2439 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 7a_100000212066_100009817552 [0,1,0,0,0,1|0,0,2]=4 2440 B12R1.21 C[C@@H](O)COc1ccc(cc1)N 34a_100000185829_100009817552 [0,1,0,0,0,1|0,0,2]=4 2441 B12R1.21 Cc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000716854_200025704644 [0,1,0,0,0,1|1,0,0]=3 2442 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [0,1,0,0,0,1|1,0,0]=3 2443 B12R1.21 Cc1ccc(cc1)COC(C)C 34a_100000212225_100000210814 [0,1,0,0,0,1|1,0,1]=4 2444 B12R1.21 Cc1ccc(cc1)COC(C)C 34a_100011215236_100000210206 [0,1,0,0,0,1|1,0,1]=4 2445 B12R1.21 Cc1ccc(cc1)COC(C)C 7a_100011215236_100000210206 [0,1,0,0,0,1|1,0,1]=4 2446 B12R1.21 Cc1ccc(cc1)NCC(=O)N 34a_100000124888_100000187820 [0,1,0,0,0,1|2,0,0]=4 2447 B12R1.21 Cc1ccc(cc1)NCC(=O)[O-] 34a_100000124888_100020667443 [0,1,0,0,0,1|2,0,0]=4 2448 B12R1.21 Cc1ccc(cc1)OCC(=O)N 34a_100000210336_100000187820 [0,1,0,0,0,1|1,0,0]=3 2449 B12R1.21 Cc1ccc(cc1)OCC(=O)N 7a_100000210336_100000187820 [0,1,0,0,0,1|1,0,0]=3 2450 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [0,1,0,0,0,1|0,0,0]=2 2451 B12R1.21 Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210336_100020667443 [0,1,0,0,0,1|1,0,0]=3 2452 B12R1.21 Cc1ccc(cc1)OCC(C)C 34a_100000210336_100000210624 [0,1,0,0,0,1|1,0,1]=4 2453 B12R1.21 Cc1ccc(cc1)OCC(C)C 7a_100000210336_100000210760 [0,1,0,0,0,1|1,0,1]=4 2454 B12R1.21 Cc1ccc(cc1)OCC(C)O 34a_100000210336_100011218427 [0,1,0,0,0,1|0,0,2]=4 2455 B12R1.21 Cc1ccc(cc1)OCC(C)O 7a_100000210336_100011218427 [0,1,0,0,0,1|0,0,2]=4 2456 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 34a_100000210336_100009817552 [0,1,0,0,0,1|0,0,2]=4 2457 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 7a_100000210336_100009817552 [0,1,0,0,0,1|0,0,2]=4 2458 B12R1.21 Cc1ccc(cc1)OC[N+](=O)[O-] 34a_100000210336_100000761209 [0,1,0,0,0,1|2,0,0]=4 2459 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000186775_100000747473 [0,1,0,0,0,1|1,1,0]=4 2460 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000186775 [0,1,0,0,0,1|1,1,0]=4 2461 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [0,1,0,0,0,1|0,1,0]=3 2462 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100000186775_100020667443 [0,1,0,0,0,1|1,1,0]=4 2463 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000186775 [0,1,0,0,0,1|1,1,0]=4 2464 B12R1.21 Cc1ccc(cn1)OCC(=O)N 34a_100000745506_100000187820 [0,1,0,0,0,1|2,0,0]=4 2465 B12R1.21 Cc1ccc(cn1)OCC(=O)N 7a_100000745506_100000187820 [0,1,0,0,0,1|2,0,0]=4 2466 B12R1.21 Cc1ccc(cn1)OCC(=O)[O-] 34a_100000745506_100020667443 [0,1,0,0,0,1|2,0,0]=4 2467 B12R1.21 Cc1ccc(nc1)OCC(=O)N 34a_100000759353_100000187820 [0,1,0,0,0,1|2,0,0]=4 2468 B12R1.21 Cc1ccc(nc1)OCC(=O)[O-] 34a_100000759353_100020667443 [0,1,0,0,0,1|2,0,0]=4 2469 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [0,1,0,0,0,1|2,0,0]=4 2470 B12R1.21 NC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747473 [0,1,0,0,0,1|2,0,0]=4 2471 B12R1.21 NC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000187820 [0,1,0,0,0,1|2,0,0]=4 2472 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747473 [0,1,0,0,0,1|2,0,0]=4 2473 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000187820 [0,1,0,0,0,1|2,0,0]=4 2474 B12R1.21 NC(=O)CNc1ccc(cc1)F 34a_100000185862_100000187820 [0,1,0,0,0,1|2,0,0]=4 2475 B12R1.21 NC(=O)CNc1ccc(cc1)I 34a_100000185761_100000187820 [0,1,0,0,0,1|2,0,0]=4 2476 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [0,1,0,0,0,1|2,0,0]=4 2477 B12R1.21 NC(=O)COc1ccc(=O)[nH]c1 34a_100000075641_100000187820 [0,1,0,0,0,1|2,0,0]=4 2478 B12R1.21 NC(=O)COc1ccc(cc1)Br 34a_100000185759_100000187820 [0,1,0,0,0,1|1,0,0]=3 2479 B12R1.21 NC(=O)COc1ccc(cc1)Br 7a_100000185759_100000187820 [0,1,0,0,0,1|1,0,0]=3 2480 B12R1.21 NC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000187820 [0,1,0,0,0,1|1,0,0]=3 2481 B12R1.21 NC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000187820 [0,1,0,0,0,1|1,0,0]=3 2482 B12R1.21 NC(=O)COc1ccc(cc1)F 34a_100000210339_100000187820 [0,1,0,0,0,1|1,0,0]=3 2483 B12R1.21 NC(=O)COc1ccc(cc1)I 34a_100000212066_100000187820 [0,1,0,0,0,1|1,0,0]=3 2484 B12R1.21 NC(=O)COc1ccc(cc1)I 7a_100000212066_100000187820 [0,1,0,0,0,1|1,0,0]=3 2485 B12R1.21 NC(=O)COc1ccc(cc1)N 34a_100000185829_100000187820 [0,1,0,0,0,1|1,0,0]=3 2486 B12R1.21 NC(=O)COc1ccc(cn1)Cl 34a_100011215309_100000187820 [0,1,0,0,0,1|2,0,0]=4 2487 B12R1.21 NC(=O)COc1ccc(cn1)F 34a_100000742473_100000187820 [0,1,0,0,0,1|2,0,0]=4 2488 B12R1.21 NC(=O)COc1ccc(cn1)N 34a_100000729260_100000187820 [0,1,0,0,0,1|2,0,0]=4 2489 B12R1.21 NC(=O)COc1ccc(nc1)Br 34a_100000685995_100000187820 [0,1,0,0,0,1|2,0,0]=4 2490 B12R1.21 NC(=O)COc1ccc(nc1)Br 7a_100000685995_100000187820 [0,1,0,0,0,1|2,0,0]=4 2491 B12R1.21 NC(=O)COc1ccc(nc1)Cl 34a_100000744096_100000187820 [0,1,0,0,0,1|2,0,0]=4 2492 B12R1.21 NC(=O)COc1ccc(nc1)Cl 7a_100000744096_100000187820 [0,1,0,0,0,1|2,0,0]=4 2493 B12R1.21 NC(=O)COc1ccc(nc1)F 34a_100000688820_100000187820 [0,1,0,0,0,1|2,0,0]=4 2494 B12R1.21 NC(=O)COc1ccc(nc1)F 7a_100000688820_100000187820 [0,1,0,0,0,1|2,0,0]=4 2495 B12R1.21 NC(=O)COc1ccc(nc1)I 34a_100000687607_100000187820 [0,1,0,0,0,1|2,0,0]=4 2496 B12R1.21 NC(=O)COc1ccc(nc1)I 7a_100000687607_100000187820 [0,1,0,0,0,1|2,0,0]=4 2497 B12R1.21 NC(=O)COc1ccc(nc1)N 34a_100015188713_100000187820 [0,1,0,0,0,1|2,0,0]=4 2498 B12R1.21 NC(=O)COc1ccc(nc1)N 7a_100015188713_100000187820 [0,1,0,0,0,1|2,0,0]=4 2499 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000747473_100000752885 [0,1,0,0,0,1|1,1,0]=4 2500 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747473 [0,1,0,0,0,1|1,1,0]=4 2501 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000747473_100000755918 [0,1,0,0,0,1|1,1,0]=4 2502 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747473 [0,1,0,0,0,1|1,1,0]=4 2503 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747473 [0,1,0,0,0,1|1,1,0]=4 2504 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000747473_100000211213 [0,1,0,0,0,1|1,1,0]=4 2505 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747473 [0,1,0,0,0,1|1,1,0]=4 2506 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000747473_100000185761 [0,1,0,0,0,1|1,1,0]=4 2507 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [0,1,0,0,0,1|1,1,0]=4 2508 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [0,1,0,0,0,1|1,1,0]=4 2509 B12R1.21 Nc1ccc(cc1)OCC(=O)[O-] 34a_100000185829_100020667443 [0,1,0,0,0,1|1,0,0]=3 2510 B12R1.21 Nc1ccc(cc1)OC[N+](=O)[O-] 34a_100000185829_100000761209 [0,1,0,0,0,1|2,0,0]=4 2511 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100000185761_100020667443 [0,1,0,0,0,1|1,1,0]=4 2512 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000185761 [0,1,0,0,0,1|1,1,0]=4 2513 B12R1.21 Nc1ccc(cn1)OCC(=O)[O-] 34a_100015188713_100020667443 [0,1,0,0,0,1|2,0,0]=4 2514 B12R1.21 Nc1ccc(nc1)OCC(=O)[O-] 34a_100000729260_100020667443 [0,1,0,0,0,1|2,0,0]=4 2515 B12R1.21 O=C([O-])CNc1ccc(cc1)Br 34a_100000210018_100020667443 [0,1,0,0,0,1|2,0,0]=4 2516 B12R1.21 O=C([O-])CNc1ccc(cc1)Cl 34a_100000210052_100020667443 [0,1,0,0,0,1|2,0,0]=4 2517 B12R1.21 O=C([O-])CNc1ccc(cc1)F 34a_100000185862_100020667443 [0,1,0,0,0,1|2,0,0]=4 2518 B12R1.21 O=C([O-])CNc1ccc(cc1)I 34a_100000185761_100020667443 [0,1,0,0,0,1|2,0,0]=4 2519 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [0,1,0,0,0,1|2,0,0]=4 2520 B12R1.21 O=C([O-])COc1ccc(=O)[nH]c1 34a_100000075641_100020667443 [0,1,0,0,0,1|2,0,0]=4 2521 B12R1.21 O=C([O-])COc1ccc(cc1)Br 34a_100000185759_100020667443 [0,1,0,0,0,1|1,0,0]=3 2522 B12R1.21 O=C([O-])COc1ccc(cc1)Cl 34a_100000210216_100020667443 [0,1,0,0,0,1|1,0,0]=3 2523 B12R1.21 O=C([O-])COc1ccc(cc1)F 34a_100000210339_100020667443 [0,1,0,0,0,1|1,0,0]=3 2524 B12R1.21 O=C([O-])COc1ccc(cc1)I 34a_100000212066_100020667443 [0,1,0,0,0,1|1,0,0]=3 2525 B12R1.21 O=C([O-])COc1ccc(cn1)Cl 34a_100011215309_100020667443 [0,1,0,0,0,1|2,0,0]=4 2526 B12R1.21 O=C([O-])COc1ccc(cn1)F 34a_100000742473_100020667443 [0,1,0,0,0,1|2,0,0]=4 2527 B12R1.21 O=C([O-])COc1ccc(nc1)Br 34a_100000685995_100020667443 [0,1,0,0,0,1|2,0,0]=4 2528 B12R1.21 O=C([O-])COc1ccc(nc1)Cl 34a_100000744096_100020667443 [0,1,0,0,0,1|2,0,0]=4 2529 B12R1.21 O=C([O-])COc1ccc(nc1)F 34a_100000688820_100020667443 [0,1,0,0,0,1|2,0,0]=4 2530 B12R1.21 O=C([O-])COc1ccc(nc1)I 34a_100000687607_100020667443 [0,1,0,0,0,1|2,0,0]=4 2531 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100000752885_100020667443 [0,1,0,0,0,1|1,1,0]=4 2532 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100020667443_100000752885 [0,1,0,0,0,1|1,1,0]=4 2533 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100000755918_100020667443 [0,1,0,0,0,1|1,1,0]=4 2534 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100020667443_100000755918 [0,1,0,0,0,1|1,1,0]=4 2535 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100000211213_100020667443 [0,1,0,0,0,1|1,1,0]=4 2536 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100020667443_100000211213 [0,1,0,0,0,1|1,1,0]=4 2537 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [0,1,0,0,0,1|1,1,0]=4 2538 B12R1.21 O=[N+]([O-])COc1ccc(cc1)Br 34a_100000185759_100000761209 [0,1,0,0,0,1|2,0,0]=4 2539 B12R1.21 O=[N+]([O-])COc1ccc(cc1)Cl 34a_100000210216_100000761209 [0,1,0,0,0,1|2,0,0]=4 2540 B12R1.21 O=[N+]([O-])COc1ccc(cc1)F 34a_100000210339_100000761209 [0,1,0,0,0,1|2,0,0]=4 2541 B12R1.21 O=[N+]([O-])COc1ccc(cc1)I 34a_100000212066_100000761209 [0,1,0,0,0,1|2,0,0]=4 2542 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200025704644 [0,1,0,0,0,1|1,0,0]=3 2543 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200025704644 [0,1,0,0,0,1|1,0,0]=3 2544 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200025704644 [0,1,0,0,0,1|1,0,0]=3 2545 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200025704644 [0,1,0,0,0,1|1,0,0]=3 2546 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200025704644 [0,1,0,0,0,1|1,0,0]=3 2547 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200025704644 [0,1,0,0,0,1|1,0,0]=3 2548 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200025704644 [0,1,0,0,0,1|1,0,0]=3 2549 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200025704644 [0,1,0,0,0,1|2,0,0]=4 2550 B12R1.21 [13CH3]C(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_200025704644 [0,1,0,0,0,1|2,0,0]=4 2551 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [0,1,0,0,0,1|1,0,0]=3 2552 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [0,1,0,0,0,1|1,0,0]=3 2553 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [0,1,0,0,0,1|1,0,0]=3 2554 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [0,1,0,0,0,1|1,0,0]=3 2555 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [0,1,0,0,0,1|1,0,0]=3 2556 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [0,1,0,0,0,1|0,0,0]=2 2557 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [0,1,0,0,0,1|0,0,0]=2 2558 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [0,1,0,0,0,1|0,0,0]=2 2559 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [0,1,0,0,0,1|0,0,0]=2 2560 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [0,1,0,0,0,1|0,0,0]=2 2561 B12R1.21 [13CH3]C(=O)COc1ncc(cn1)Br 1458a_200012356291_200025704644 [0,1,0,0,0,1|2,0,0]=4 2562 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [0,1,0,0,0,1|0,1,0]=3 2563 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [0,1,0,0,0,1|0,1,0]=3 2564 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [0,1,0,0,0,1|0,1,0]=3 2565 B12R1.27 C#CC(=NNc1ccccc1)C 4a_100015195140_100000690481 [0,1,0,0,0,1|2,0,0]=4 2566 B12R1.27 C#CC(=O)CCc1ccccc1 1458a_100000211873_100000765856 [0,1,0,0,0,1|1,0,1]=4 2567 B12R1.27 C#CC(C)OCc1ccccc1 34a_100000210790_200000035995 [0,1,0,0,0,1|1,0,1]=4 2568 B12R1.27 C#C[C@@H](C)OCc1ccccc1 34a_100009815206_100015291786 [0,1,0,0,0,1|1,0,1]=4 2569 B12R1.27 C#C[C@@H](C)OCc1ccccc1 7a_100009815206_100000211182 [0,1,0,0,0,1|1,0,1]=4 2570 B12R1.27 C=C(C#N)COc1ccccc1 34a_100000210340_100000694840 [0,1,0,0,0,1|1,0,1]=4 2571 B12R1.27 C=CC(=NNc1ccccc1)C 4a_100015195140_200015361842 [0,1,0,0,0,1|2,0,0]=4 2572 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [0,1,0,0,0,1|1,0,1]=4 2573 B12R1.27 C=CC(=O)NCc1ccccc1 1626a_100015324214_100000185746 [0,1,0,0,0,1|1,0,1]=4 2574 B12R1.27 C=CC(=O)NCc1ccccc1 240690a_100015324214_200121576911 [0,1,0,0,0,1|1,0,1]=4 2575 B12R1.27 C=CC(=O)NNc1ccccc1 22a_100015195140_100000185746 [0,1,0,0,0,1|1,0,1]=4 2576 B12R1.27 C=CC(C)OCc1ccccc1 34a_100000695699_100015291786 [0,1,0,0,0,1|1,0,1]=4 2577 B12R1.27 CC(=NNc1ccccc1)CF 4a_100015195140_100000039719 [0,1,0,0,0,1|2,0,0]=4 2578 B12R1.27 CC(=NNc1ccccc1)CO 4a_100015195140_100000211253 [0,1,0,0,0,1|1,0,1]=4 2579 B12R1.27 CC(C#N)OCc1ccccc1 34a_100011218135_100015291786 [0,1,0,0,0,1|1,0,1]=4 2580 B12R1.27 CC(C#N)OCc1ccccc1 7a_100000210790_100000703298 [0,1,0,0,0,1|1,0,1]=4 2581 B12R1.27 CC(CF)OCc1ccccc1 34a_100016041109_100015291786 [0,1,0,0,0,1|1,0,1]=4 2582 B12R1.27 CC(CF)OCc1ccccc1 7a_100016041109_100000211182 [0,1,0,0,0,1|1,0,1]=4 2583 B12R1.27 CC(CN)OCc1ccccc1 34a_100000210904_100015291786 [0,1,0,0,0,1|1,0,1]=4 2584 B12R1.27 CC(CO)OCc1ccccc1 34a_100000210790_100012180447 [0,1,0,0,0,1|0,0,2]=4 2585 B12R1.27 CC(CO)OCc1ccccc1 7a_100000210790_100012180447 [0,1,0,0,0,1|0,0,2]=4 2586 B12R1.27 CC(COc1ccccc1)N[13CH3] 2230a_100000746794_200025704644 [0,1,0,0,0,1|1,0,1]=4 2587 B12R1.27 CC(COc1ccccc1)N[13CH3] 34a_100000746794_200025704644 [0,1,0,0,0,1|1,0,1]=4 2588 B12R1.27 CC(COc1ccccc1)O[13CH3] 34a_100000210911_200025704644 [0,1,0,0,0,1|0,0,2]=4 2589 B12R1.27 CC(COc1ccccc1)O[13CH3] 7a_100000210911_200025704644 [0,1,0,0,0,1|0,0,2]=4 2590 B12R1.27 CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210202 [0,1,0,0,0,1|1,0,0]=3 2591 B12R1.27 CCC(=O)C#Cc1ccccn1 1458a_102125277312_100000210202 [0,1,0,0,0,1|2,0,0]=4 2592 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [0,1,0,0,0,1|1,0,0]=3 2593 B12R1.27 CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210202 [0,1,0,0,0,1|2,0,0]=4 2594 B12R1.27 CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210202 [0,1,0,0,0,1|2,0,0]=4 2595 B12R1.27 CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210202 [0,1,0,0,0,1|2,0,0]=4 2596 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,1,0,0,0,1|1,0,0]=3 2597 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,1,0,0,0,1|1,0,0]=3 2598 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100000210414_100015183660 [0,1,0,0,0,1|2,0,0]=4 2599 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100015195070_100000210202 [0,1,0,0,0,1|2,0,0]=4 2600 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000198484_100000210202 [0,1,0,0,0,1|2,0,0]=4 2601 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000210414_200011713674 [0,1,0,0,0,1|2,0,0]=4 2602 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100000210414_100000723409 [0,1,0,0,0,1|2,0,0]=4 2603 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100011225043_100000210202 [0,1,0,0,0,1|2,0,0]=4 2604 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,1,0,0,0,1|0,0,0]=2 2605 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,1,0,0,0,1|0,0,0]=2 2606 B12R1.27 CCC(=O)COc1ccccn1 1458a_100102699861_100000210202 [0,1,0,0,0,1|1,0,0]=3 2607 B12R1.27 CCC(=O)COc1cccnc1 1458a_100015207166_100000210202 [0,1,0,0,0,1|1,0,0]=3 2608 B12R1.27 CCC(=O)COc1cccnc1 7a_100000210849_100000747405 [0,1,0,0,0,1|1,0,0]=3 2609 B12R1.27 CCC(=O)COc1cncnc1 7a_100000754086_100000747405 [0,1,0,0,0,1|2,0,0]=4 2610 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [0,1,0,0,0,1|0,1,0]=3 2611 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [0,1,0,0,0,1|0,1,0]=3 2612 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [0,1,0,0,0,1|0,1,0]=3 2613 B12R1.27 CCC(=O)CSc1ccccn1 1458a_100000156281_100000210202 [0,1,0,0,0,1|1,1,0]=4 2614 B12R1.27 CCC(=O)CSc1ccccn1 62a_100000747405_100011216584 [0,1,0,0,0,1|1,1,0]=4 2615 B12R1.27 CCC(=O)CSc1ccccn1 62a_100011216584_100000747405 [0,1,0,0,0,1|1,1,0]=4 2616 B12R1.27 CCC(=O)CSc1cccnc1 62a_100000210063_100000747405 [0,1,0,0,0,1|1,1,0]=4 2617 B12R1.27 CCC(=O)CSc1cccnc1 62a_100000747405_100000210063 [0,1,0,0,0,1|1,1,0]=4 2618 B12R1.27 CCC(=O)CSc1ccncc1 1458a_100000211328_100000210202 [0,1,0,0,0,1|1,1,0]=4 2619 B12R1.27 CCC(=O)CSc1ccncc1 62a_100000728582_100000747405 [0,1,0,0,0,1|1,1,0]=4 2620 B12R1.27 CCC(=O)CSc1ccncc1 62a_100000747405_100000728582 [0,1,0,0,0,1|1,1,0]=4 2621 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,1,0,0,0,1|1,0,0]=3 2622 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,1,0,0,0,1|1,0,0]=3 2623 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,1,0,0,0,1|1,0,0]=3 2624 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,1,0,0,0,1|1,0,0]=3 2625 B12R1.27 CCC(=O)NCc1ccccn1 11a_100000210449_100000210414 [0,1,0,0,0,1|2,0,0]=4 2626 B12R1.27 CCC(=O)NCc1ccccn1 1626a_100000210449_100000210414 [0,1,0,0,0,1|2,0,0]=4 2627 B12R1.27 CCC(=O)NCc1ccccn1 240690a_100000210449_100000210414 [0,1,0,0,0,1|2,0,0]=4 2628 B12R1.27 CCC(=O)NCc1ccccn1 527a_100000210449_100000210414 [0,1,0,0,0,1|2,0,0]=4 2629 B12R1.27 CCC(=O)NCc1cccnc1 11a_100000210453_100000210414 [0,1,0,0,0,1|2,0,0]=4 2630 B12R1.27 CCC(=O)NCc1cccnc1 240690a_100000210453_100000210414 [0,1,0,0,0,1|2,0,0]=4 2631 B12R1.27 CCC(=O)NCc1cccnc1 527a_100000210453_100000210414 [0,1,0,0,0,1|2,0,0]=4 2632 B12R1.27 CCC(=O)NCc1ccncc1 11a_100000210450_100000210414 [0,1,0,0,0,1|2,0,0]=4 2633 B12R1.27 CCC(=O)NCc1ccncc1 1626a_100000210450_100000210414 [0,1,0,0,0,1|2,0,0]=4 2634 B12R1.27 CCC(=O)NCc1ccncc1 240690a_100000210450_100000210414 [0,1,0,0,0,1|2,0,0]=4 2635 B12R1.27 CCC(=O)NCc1ccncc1 527a_100000210450_100000210414 [0,1,0,0,0,1|2,0,0]=4 2636 B12R1.27 CCC(=O)NNc1ccccc1 22a_100015195140_100000210414 [0,1,0,0,0,1|1,0,0]=3 2637 B12R1.27 CCC(=O)NNc1ccccn1 22a_100000183288_100000210414 [0,1,0,0,0,1|2,0,0]=4 2638 B12R1.27 CCC(=O)NNc1cccnc1 22a_100000728903_100000210414 [0,1,0,0,0,1|2,0,0]=4 2639 B12R1.27 CCC(=O)NNc1ccncc1 22a_100000698918_100000210414 [0,1,0,0,0,1|2,0,0]=4 2640 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [0,1,0,0,0,1|1,0,1]=4 2641 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [0,1,0,0,0,1|1,0,1]=4 2642 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [0,1,0,0,0,1|1,0,1]=4 2643 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [0,1,0,0,0,1|1,0,1]=4 2644 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [0,1,0,0,0,1|1,0,1]=4 2645 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [0,1,0,0,0,1|0,0,2]=4 2646 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [0,1,0,0,0,1|0,0,2]=4 2647 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [0,1,0,0,0,1|1,0,1]=4 2648 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [0,1,0,0,0,1|1,0,1]=4 2649 B12R1.27 CNC(=O)C#Cc1ccccc1 240690a_100102657272_100000736102 [0,1,0,0,0,1|1,0,0]=3 2650 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [0,1,0,0,0,1|1,0,0]=3 2651 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [0,1,0,0,0,1|1,0,0]=3 2652 B12R1.27 CNC(=O)C=Cc1ccccn1 11a_106832991635_100000740811 [0,1,0,0,0,1|2,0,0]=4 2653 B12R1.27 CNC(=O)C=Cc1ccccn1 240690a_100102657272_100000740811 [0,1,0,0,0,1|2,0,0]=4 2654 B12R1.27 CNC(=O)C=Cc1cccnc1 11a_106832991635_100000735890 [0,1,0,0,0,1|2,0,0]=4 2655 B12R1.27 CNC(=O)C=Cc1cccnc1 240690a_100102657272_100000735890 [0,1,0,0,0,1|2,0,0]=4 2656 B12R1.27 CNC(=O)C=Cc1ccncc1 240690a_100102657272_100000682801 [0,1,0,0,0,1|2,0,0]=4 2657 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,1,0,0,0,1|1,0,0]=3 2658 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,1,0,0,0,1|1,0,0]=3 2659 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,1,0,0,0,1|1,0,0]=3 2660 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,1,0,0,0,1|1,0,0]=3 2661 B12R1.27 CNC(=O)CCc1ccccn1 11a_106832991635_100015195070 [0,1,0,0,0,1|2,0,0]=4 2662 B12R1.27 CNC(=O)CCc1ccccn1 240690a_100102657272_100015195070 [0,1,0,0,0,1|2,0,0]=4 2663 B12R1.27 CNC(=O)CCc1ccccn1 527a_100102657272_100015195070 [0,1,0,0,0,1|2,0,0]=4 2664 B12R1.27 CNC(=O)CCc1cccnc1 11a_106832991635_100000198484 [0,1,0,0,0,1|2,0,0]=4 2665 B12R1.27 CNC(=O)CCc1cccnc1 1626a_100102657272_100000198484 [0,1,0,0,0,1|2,0,0]=4 2666 B12R1.27 CNC(=O)CCc1cccnc1 240690a_100102657272_100000198484 [0,1,0,0,0,1|2,0,0]=4 2667 B12R1.27 CNC(=O)CCc1cccnc1 527a_100102657272_100000198484 [0,1,0,0,0,1|2,0,0]=4 2668 B12R1.27 CNC(=O)CCc1ccncc1 11a_106832991635_100011225043 [0,1,0,0,0,1|2,0,0]=4 2669 B12R1.27 CNC(=O)CCc1ccncc1 240690a_100102657272_100011225043 [0,1,0,0,0,1|2,0,0]=4 2670 B12R1.27 CNC(=O)CCc1ccncc1 527a_100102657272_100011225043 [0,1,0,0,0,1|2,0,0]=4 2671 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [0,1,0,0,0,1|1,0,0]=3 2672 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [0,1,0,0,0,1|0,0,0]=2 2673 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [0,1,0,0,0,1|0,0,0]=2 2674 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [0,1,0,0,0,1|0,0,0]=2 2675 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [0,1,0,0,0,1|0,0,0]=2 2676 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [0,1,0,0,0,1|0,0,0]=2 2677 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [0,1,0,0,0,1|0,0,0]=2 2678 B12R1.27 CNC(=O)COc1ccccn1 1626a_100102657272_100102699861 [0,1,0,0,0,1|1,0,0]=3 2679 B12R1.27 CNC(=O)COc1ccccn1 240690a_100102657272_100102699861 [0,1,0,0,0,1|1,0,0]=3 2680 B12R1.27 CNC(=O)COc1ccccn1 527a_100102657272_100102699861 [0,1,0,0,0,1|1,0,0]=3 2681 B12R1.27 CNC(=O)COc1cccnc1 11a_106832991635_100015207166 [0,1,0,0,0,1|1,0,0]=3 2682 B12R1.27 CNC(=O)COc1cccnc1 1626a_100102657272_100015207166 [0,1,0,0,0,1|1,0,0]=3 2683 B12R1.27 CNC(=O)COc1cccnc1 240690a_100102657272_100015207166 [0,1,0,0,0,1|1,0,0]=3 2684 B12R1.27 CNC(=O)COc1cccnc1 34a_100000210849_100000183359 [0,1,0,0,0,1|1,0,0]=3 2685 B12R1.27 CNC(=O)COc1cccnc1 527a_100102657272_100015207166 [0,1,0,0,0,1|1,0,0]=3 2686 B12R1.27 CNC(=O)COc1cccnc1 7a_100000210849_100000183359 [0,1,0,0,0,1|1,0,0]=3 2687 B12R1.27 CNC(=O)COc1ccncc1 34a_100000212176_100000183359 [0,1,0,0,0,1|1,0,0]=3 2688 B12R1.27 CNC(=O)COc1ccnnc1 34a_100015204005_100000183359 [0,1,0,0,0,1|2,0,0]=4 2689 B12R1.27 CNC(=O)COc1cncnc1 7a_100000754086_100000183359 [0,1,0,0,0,1|2,0,0]=4 2690 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [0,1,0,0,0,1|0,1,0]=3 2691 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [0,1,0,0,0,1|0,1,0]=3 2692 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [0,1,0,0,0,1|0,1,0]=3 2693 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [0,1,0,0,0,1|0,1,0]=3 2694 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [0,1,0,0,0,1|0,1,0]=3 2695 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [0,1,0,0,0,1|0,1,0]=3 2696 B12R1.27 CNC(=O)CSc1ccccn1 11a_106832991635_100000156281 [0,1,0,0,0,1|1,1,0]=4 2697 B12R1.27 CNC(=O)CSc1ccccn1 240690a_100102657272_100000156281 [0,1,0,0,0,1|1,1,0]=4 2698 B12R1.27 CNC(=O)CSc1ccccn1 527a_100102657272_100000156281 [0,1,0,0,0,1|1,1,0]=4 2699 B12R1.27 CNC(=O)CSc1ccccn1 62a_100000183359_100011216584 [0,1,0,0,0,1|1,1,0]=4 2700 B12R1.27 CNC(=O)CSc1ccccn1 62a_100011216584_100000183359 [0,1,0,0,0,1|1,1,0]=4 2701 B12R1.27 CNC(=O)CSc1cccnc1 62a_100000183359_100000210063 [0,1,0,0,0,1|1,1,0]=4 2702 B12R1.27 CNC(=O)CSc1cccnc1 62a_100000210063_100000183359 [0,1,0,0,0,1|1,1,0]=4 2703 B12R1.27 CNC(=O)CSc1ccncc1 11a_106832991635_100000211328 [0,1,0,0,0,1|1,1,0]=4 2704 B12R1.27 CNC(=O)CSc1ccncc1 1626a_100102657272_100000211328 [0,1,0,0,0,1|1,1,0]=4 2705 B12R1.27 CNC(=O)CSc1ccncc1 240690a_100102657272_100000211328 [0,1,0,0,0,1|1,1,0]=4 2706 B12R1.27 CNC(=O)CSc1ccncc1 527a_100102657272_100000211328 [0,1,0,0,0,1|1,1,0]=4 2707 B12R1.27 CNC(=O)CSc1ccncc1 62a_100000183359_100000728582 [0,1,0,0,0,1|1,1,0]=4 2708 B12R1.27 CNC(=O)CSc1ccncc1 62a_100000728582_100000183359 [0,1,0,0,0,1|1,1,0]=4 2709 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,1,0,0,0,1|1,0,0]=3 2710 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,1,0,0,0,1|1,0,0]=3 2711 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,1,0,0,0,1|1,0,0]=3 2712 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,1,0,0,0,1|1,0,0]=3 2713 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,1,0,0,0,1|1,0,0]=3 2714 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,1,0,0,0,1|1,0,0]=3 2715 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100000210449_106832991635 [0,1,0,0,0,1|2,0,0]=4 2716 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100102657272_100000210449 [0,1,0,0,0,1|2,0,0]=4 2717 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100000210449_100102657272 [0,1,0,0,0,1|2,0,0]=4 2718 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100102657272_100000210449 [0,1,0,0,0,1|2,0,0]=4 2719 B12R1.27 CNC(=O)NCc1ccccn1 512a_106832991638_100000210449 [0,1,0,0,0,1|2,0,0]=4 2720 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100000210453_106832991635 [0,1,0,0,0,1|2,0,0]=4 2721 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100102657272_100000210453 [0,1,0,0,0,1|2,0,0]=4 2722 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100000210453_100102657272 [0,1,0,0,0,1|2,0,0]=4 2723 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100102657272_100000210453 [0,1,0,0,0,1|2,0,0]=4 2724 B12R1.27 CNC(=O)NCc1cccnc1 512a_100000210453_100102657272 [0,1,0,0,0,1|2,0,0]=4 2725 B12R1.27 CNC(=O)NCc1cccnc1 512a_106832991638_100000210453 [0,1,0,0,0,1|2,0,0]=4 2726 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100000210450_106832991635 [0,1,0,0,0,1|2,0,0]=4 2727 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100102657272_100000210450 [0,1,0,0,0,1|2,0,0]=4 2728 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100000210450_100102657272 [0,1,0,0,0,1|2,0,0]=4 2729 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100102657272_100000210450 [0,1,0,0,0,1|2,0,0]=4 2730 B12R1.27 CNC(=O)NCc1ccncc1 512a_106832991638_100000210450 [0,1,0,0,0,1|2,0,0]=4 2731 B12R1.27 CNC(=O)NNc1ccccc1 273464a_100102657272_100015195140 [0,1,0,0,0,1|1,0,0]=3 2732 B12R1.27 CNC(=O)NNc1ccccc1 512a_106832991638_100015195140 [0,1,0,0,0,1|1,0,0]=3 2733 B12R1.27 CNC(=O)NNc1ccccn1 273464a_100102657272_100000183288 [0,1,0,0,0,1|2,0,0]=4 2734 B12R1.27 CNC(=O)NNc1ccccn1 512a_106832991638_100000183288 [0,1,0,0,0,1|2,0,0]=4 2735 B12R1.27 CNC(=O)NNc1cccnc1 273464a_100102657272_100000728903 [0,1,0,0,0,1|2,0,0]=4 2736 B12R1.27 CNC(=O)NNc1cccnc1 512a_106832991638_100000728903 [0,1,0,0,0,1|2,0,0]=4 2737 B12R1.27 CNC(=O)NNc1ccncc1 273464a_100102657272_100000698918 [0,1,0,0,0,1|2,0,0]=4 2738 B12R1.27 CNC(=O)NNc1ccncc1 512a_106832991638_100000698918 [0,1,0,0,0,1|2,0,0]=4 2739 B12R1.27 CNC(C)COc1ccccc1 2230a_100000746794_200000210301 [0,1,0,0,0,1|1,0,1]=4 2740 B12R1.27 CNC(C)COc1ccccc1 270004a_106832991635_100000150576 [0,1,0,0,0,1|1,0,1]=4 2741 B12R1.27 CNC(C)COc1ccccc1 34a_100000746794_200000210301 [0,1,0,0,0,1|1,0,1]=4 2742 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,1,0,0,0,1|1,0,0]=3 2743 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [0,1,0,0,0,1|0,0,0]=2 2744 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [0,1,0,0,0,1|0,0,0]=2 2745 B12R1.27 COC(=O)COc1cccnc1 34a_100000210849_100000747449 [0,1,0,0,0,1|1,0,0]=3 2746 B12R1.27 COC(=O)COc1cccnc1 7a_100000210849_100000747449 [0,1,0,0,0,1|1,0,0]=3 2747 B12R1.27 COC(=O)COc1ccncc1 34a_100000212176_100000747449 [0,1,0,0,0,1|1,0,0]=3 2748 B12R1.27 COC(=O)COc1ccnnc1 34a_100015204005_100000747449 [0,1,0,0,0,1|2,0,0]=4 2749 B12R1.27 COC(=O)COc1cncnc1 7a_100000754086_100000747449 [0,1,0,0,0,1|2,0,0]=4 2750 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [0,1,0,0,0,1|0,1,0]=3 2751 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [0,1,0,0,0,1|0,1,0]=3 2752 B12R1.27 COC(=O)CSc1ccccn1 62a_100000747449_100011216584 [0,1,0,0,0,1|1,1,0]=4 2753 B12R1.27 COC(=O)CSc1ccccn1 62a_100011216584_100000747449 [0,1,0,0,0,1|1,1,0]=4 2754 B12R1.27 COC(=O)CSc1cccnc1 62a_100000210063_100000747449 [0,1,0,0,0,1|1,1,0]=4 2755 B12R1.27 COC(=O)CSc1cccnc1 62a_100000747449_100000210063 [0,1,0,0,0,1|1,1,0]=4 2756 B12R1.27 COC(=O)CSc1ccncc1 62a_100000728582_100000747449 [0,1,0,0,0,1|1,1,0]=4 2757 B12R1.27 COC(=O)CSc1ccncc1 62a_100000747449_100000728582 [0,1,0,0,0,1|1,1,0]=4 2758 B12R1.27 COC(C)COc1ccccc1 34a_100000210911_200000210301 [0,1,0,0,0,1|0,0,2]=4 2759 B12R1.27 COC(C)COc1ccccc1 7a_100000210911_200000210301 [0,1,0,0,0,1|0,0,2]=4 2760 B12R1.27 C[C@@H](CO)COc1ccccc1 34a_100000210340_100000059175 [0,1,0,0,0,1|0,0,2]=4 2761 B12R1.27 C[C@@H](CO)COc1ccccc1 7a_100000210340_100000059175 [0,1,0,0,0,1|0,0,2]=4 2762 B12R1.27 O=C(C#Cc1ccccc1)CF 1458a_100000736102_100015361967 [0,1,0,0,0,1|1,0,0]=3 2763 B12R1.27 O=C(C#Cc1ccccn1)CF 1458a_102125277312_100015361967 [0,1,0,0,0,1|2,0,0]=4 2764 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [0,1,0,0,0,1|1,0,0]=3 2765 B12R1.27 O=C(C=Cc1ccccn1)CF 1458a_100000740811_100015361967 [0,1,0,0,0,1|2,0,0]=4 2766 B12R1.27 O=C(C=Cc1cccnc1)CF 1458a_100000735890_100015361967 [0,1,0,0,0,1|2,0,0]=4 2767 B12R1.27 O=C(C=Cc1ccncc1)CF 1458a_100000682801_100015361967 [0,1,0,0,0,1|2,0,0]=4 2768 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,1,0,0,0,1|1,0,0]=3 2769 B12R1.27 O=C(CF)CCc1ccccn1 1458a_100015195070_100015361967 [0,1,0,0,0,1|2,0,0]=4 2770 B12R1.27 O=C(CF)CCc1cccnc1 1458a_100000198484_100015361967 [0,1,0,0,0,1|2,0,0]=4 2771 B12R1.27 O=C(CF)CCc1ccncc1 1458a_100011225043_100015361967 [0,1,0,0,0,1|2,0,0]=4 2772 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [0,1,0,0,0,1|0,0,0]=2 2773 B12R1.27 O=C(CF)COc1ccccn1 1458a_100102699861_100015361967 [0,1,0,0,0,1|1,0,0]=3 2774 B12R1.27 O=C(CF)COc1cccnc1 1458a_100015207166_100015361967 [0,1,0,0,0,1|1,0,0]=3 2775 B12R1.27 O=C(CF)CSc1ccccc1 1458a_100000211596_100015361967 [0,1,0,0,0,1|0,1,0]=3 2776 B12R1.27 O=C(CF)CSc1ccccn1 1458a_100000156281_100015361967 [0,1,0,0,0,1|1,1,0]=4 2777 B12R1.27 O=C(CF)CSc1ccncc1 1458a_100000211328_100015361967 [0,1,0,0,0,1|1,1,0]=4 2778 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,1,0,0,0,1|1,0,0]=3 2779 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [0,1,0,0,0,1|2,0,0]=4 2780 B12R1.27 O=C(CO)CCc1cccnc1 1458a_100000210174_200011713674 [0,1,0,0,0,1|2,0,0]=4 2781 B12R1.27 O=C(CO)CCc1ccncc1 1458a_100000210174_100000723409 [0,1,0,0,0,1|2,0,0]=4 2782 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [0,1,0,0,0,1|1,0,0]=3 2783 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [0,1,0,0,0,1|1,0,0]=3 2784 B12R1.27 O=C(CO)NCc1ccccn1 240690a_100000210449_100000210174 [0,1,0,0,0,1|2,0,0]=4 2785 B12R1.27 O=C(CO)NCc1ccccn1 527a_100000210449_100000210174 [0,1,0,0,0,1|2,0,0]=4 2786 B12R1.27 O=C(CO)NCc1cccnc1 240690a_100000210453_100000210174 [0,1,0,0,0,1|2,0,0]=4 2787 B12R1.27 O=C(CO)NCc1cccnc1 527a_100000210453_100000210174 [0,1,0,0,0,1|2,0,0]=4 2788 B12R1.27 O=C(CO)NCc1ccncc1 240690a_100000210450_100000210174 [0,1,0,0,0,1|2,0,0]=4 2789 B12R1.27 O=C(CO)NCc1ccncc1 527a_100000210450_100000210174 [0,1,0,0,0,1|2,0,0]=4 2790 B12R1.27 O=C(CO)NNc1ccccc1 22a_100015195140_100000210174 [0,1,0,0,0,1|1,0,0]=3 2791 B12R1.27 O=C(CO)NNc1ccccn1 22a_100000183288_100000210174 [0,1,0,0,0,1|2,0,0]=4 2792 B12R1.27 O=C(CO)NNc1cccnc1 22a_100000728903_100000210174 [0,1,0,0,0,1|2,0,0]=4 2793 B12R1.27 O=C(CO)NNc1ccncc1 22a_100000698918_100000210174 [0,1,0,0,0,1|2,0,0]=4 2794 B12R1.27 OCC(O)COc1ccccc1 34a_100000210340_100011219619 [0,1,0,0,0,1|0,0,2]=4 2795 B12R1.27 OCC(O)COc1ccccc1 7a_100000210340_100011219619 [0,1,0,0,0,1|0,0,2]=4 2796 B12R1.27 OC[C@H](O)COc1ccccc1 34a_100000210340_100009815848 [0,1,0,0,0,1|0,0,2]=4 2797 B12R1.27 OC[C@H](O)COc1ccccc1 7a_100000210340_100009815848 [0,1,0,0,0,1|0,0,2]=4 2798 B12R1.27 O[C@@H](CF)COc1ccccc1 34a_100000210340_100015614560 [0,1,0,0,0,1|0,0,2]=4 2799 B12R1.27 O[C@@H](CF)COc1ccccc1 7a_100000210340_100015614560 [0,1,0,0,0,1|0,0,2]=4 2800 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,1,0,0,0,1|1,0,0]=3 2801 B12R1.43 C/C(=C\c1ccccn1)/C(=O)[13CH3] 1458a_100025712827_200025704644 [0,1,0,0,0,1|2,0,0]=4 2802 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [0,1,0,0,0,1|2,0,0]=4 2803 B12R1.43 C=C(C)C(=O)Nc1ccccc1 11a_100000106764_100000185857 [0,1,0,0,0,1|2,0,0]=4 2804 B12R1.43 C=C(C)C(=O)Nc1ccccc1 1626a_100000106764_100000185857 [0,1,0,0,0,1|2,0,0]=4 2805 B12R1.43 C=C(C)C(=O)Nc1ccccc1 22a_100000106764_100000185857 [0,1,0,0,0,1|2,0,0]=4 2806 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [0,1,0,0,0,1|1,0,0]=3 2807 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [0,1,0,0,0,1|1,0,0]=3 2808 B12R1.43 CC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_200000210301 [0,1,0,0,0,1|2,0,0]=4 2809 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [0,1,0,0,0,1|1,0,0]=3 2810 B12R1.43 CC(=O)C(=Cc1cccnc1)F 1458a_100000731744_200000210301 [0,1,0,0,0,1|2,0,0]=4 2811 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,1,0,0,0,1|1,0,0]=3 2812 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,1,0,0,0,1|1,0,0]=3 2813 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,1,0,0,0,1|1,0,0]=3 2814 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [0,1,0,0,0,1|2,0,0]=4 2815 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [0,1,0,0,0,1|0,0,0]=2 2816 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [0,1,0,0,0,1|0,0,0]=2 2817 B12R1.43 CC(=O)C(C)Oc1cccnc1 7a_100000210849_100000179758 [0,1,0,0,0,1|1,0,0]=3 2818 B12R1.43 CC(=O)C(C)Oc1cncnc1 7a_100000754086_100000179758 [0,1,0,0,0,1|2,0,0]=4 2819 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [0,1,0,0,0,1|0,1,0]=3 2820 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [0,1,0,0,0,1|0,1,0]=3 2821 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [0,1,0,0,0,1|0,1,0]=3 2822 B12R1.43 CC(=O)C(C)Sc1ccccn1 1458a_100000156770_200000210301 [0,1,0,0,0,1|1,1,0]=4 2823 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100009814033_100011216584 [0,1,0,0,0,1|1,1,0]=4 2824 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100011216584_100009814033 [0,1,0,0,0,1|1,1,0]=4 2825 B12R1.43 CC(=O)C(C)Sc1cccnc1 62a_100000210063_100009814033 [0,1,0,0,0,1|1,1,0]=4 2826 B12R1.43 CC(=O)C(C)Sc1cccnc1 62a_100009814033_100000210063 [0,1,0,0,0,1|1,1,0]=4 2827 B12R1.43 CC(=O)C(C)Sc1ccncc1 62a_100000728582_100009814033 [0,1,0,0,0,1|1,1,0]=4 2828 B12R1.43 CC(=O)C(C)Sc1ccncc1 62a_100009814033_100000728582 [0,1,0,0,0,1|1,1,0]=4 2829 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [0,1,0,0,0,1|1,0,0]=3 2830 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [0,1,0,0,0,1|1,0,0]=3 2831 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [0,1,0,0,0,1|1,0,0]=3 2832 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [0,1,0,0,0,1|1,0,0]=3 2833 B12R1.43 CC(=O)N(C)Cc1ccccn1 11a_100000207498_100015343762 [0,1,0,0,0,1|2,0,0]=4 2834 B12R1.43 CC(=O)N(C)Cc1ccccn1 240690a_100000207498_100015343762 [0,1,0,0,0,1|2,0,0]=4 2835 B12R1.43 CC(=O)N(C)Cc1ccccn1 527a_100000207498_100103153847 [0,1,0,0,0,1|2,0,0]=4 2836 B12R1.43 CC(=O)N(C)Cc1cccnc1 11a_100000184577_100015343762 [0,1,0,0,0,1|2,0,0]=4 2837 B12R1.43 CC(=O)N(C)Cc1cccnc1 240690a_100000184577_100015343762 [0,1,0,0,0,1|2,0,0]=4 2838 B12R1.43 CC(=O)N(C)Cc1cccnc1 527a_100000184577_100103153847 [0,1,0,0,0,1|2,0,0]=4 2839 B12R1.43 CC(=O)N(C)Cc1ccncc1 11a_100000187231_100015343762 [0,1,0,0,0,1|2,0,0]=4 2840 B12R1.43 CC(=O)N(C)Cc1ccncc1 240690a_100000187231_100015343762 [0,1,0,0,0,1|2,0,0]=4 2841 B12R1.43 CC(=O)N(C)Cc1ccncc1 527a_100000187231_100103153847 [0,1,0,0,0,1|2,0,0]=4 2842 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,1,0,0,0,1|1,0,0]=3 2843 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,1,0,0,0,1|1,0,0]=3 2844 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [0,1,0,0,0,1|2,0,0]=4 2845 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [0,1,0,0,0,1|2,0,0]=4 2846 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [0,1,0,0,0,1|1,0,0]=3 2847 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [0,1,0,0,0,1|1,0,0]=3 2848 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [0,1,0,0,0,1|0,0,0]=2 2849 B12R1.43 CC(Oc1cccnc1)C(=O)N 34a_100000210849_100000702099 [0,1,0,0,0,1|2,0,0]=4 2850 B12R1.43 CC(Oc1cccnc1)C(=O)N 7a_100000210849_100000702099 [0,1,0,0,0,1|2,0,0]=4 2851 B12R1.43 CC(Oc1ccncc1)C(=O)N 34a_100000212176_100000702099 [0,1,0,0,0,1|2,0,0]=4 2852 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [0,1,0,0,0,1|1,1,0]=4 2853 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [0,1,0,0,0,1|1,1,0]=4 2854 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [0,1,0,0,0,1|0,1,0]=3 2855 B12R1.43 CC(Sc1ccccn1)C(=O)[13CH3] 1458a_100000156770_200025704644 [0,1,0,0,0,1|1,1,0]=4 2856 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [0,1,0,0,0,1|2,0,0]=4 2857 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [0,1,0,0,0,1|2,0,0]=4 2858 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [0,1,0,0,0,1|1,0,0]=3 2859 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [0,1,0,0,0,1|1,0,0]=3 2860 B12R1.43 NC(=O)C(F)Oc1cccnc1 34a_100000210849_100009813875 [0,1,0,0,0,1|2,0,0]=4 2861 B12R1.43 NC(=O)C(F)Oc1cccnc1 7a_100000210849_100009813875 [0,1,0,0,0,1|2,0,0]=4 2862 B12R1.43 NC(=O)C(F)Oc1ccncc1 34a_100000212176_100009813875 [0,1,0,0,0,1|2,0,0]=4 2863 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [0,1,0,0,0,1|1,1,0]=4 2864 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [0,1,0,0,0,1|1,1,0]=4 2865 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [0,1,0,0,0,1|2,0,0]=4 2866 B12R1.43 O=C([O-])C(F)Oc1ccccc1 34a_100000210340_100020610796 [0,1,0,0,0,1|1,0,0]=3 2867 B12R1.43 O=C([O-])C(F)Oc1cccnc1 34a_100000210849_100020610796 [0,1,0,0,0,1|2,0,0]=4 2868 B12R1.43 O=C([O-])C(F)Oc1ccncc1 34a_100000212176_100020610796 [0,1,0,0,0,1|2,0,0]=4 2869 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100000719477_100020610796 [0,1,0,0,0,1|1,1,0]=4 2870 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100020610796_100000041952 [0,1,0,0,0,1|1,1,0]=4 2871 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [0,1,0,0,0,1|1,0,0]=3 2872 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [0,1,0,0,0,1|1,0,0]=3 2873 B12R1.43 [13CH3]C(=O)C(=Cc1cccnc1)F 1458a_100000731744_200025704644 [0,1,0,0,0,1|2,0,0]=4 2874 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,1,0,0,0,1|1,0,0]=3 2875 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,1,0,0,0,1|1,0,0]=3 2876 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [0,1,0,0,0,1|2,0,0]=4 2877 B12R1.107 C=C(C)CN(C)c1ccccc1 2230a_100000210012_100000748629 [0,1,0,0,0,1|2,0,0]=4 2878 B12R1.107 C=C(C)CN(C)c1ccccc1 269982a_100000210012_100000748629 [0,1,0,0,0,1|2,0,0]=4 2879 B12R1.107 C=C(C)CN(C)c1ccccc1 34a_100000210012_100000748629 [0,1,0,0,0,1|2,0,0]=4 2880 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [0,1,0,0,0,1|1,0,0]=3 2881 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [0,1,0,0,0,1|1,0,0]=3 2882 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,1,0,0,0,1|1,0,0]=3 2883 B12R1.107 CC(=O)CC(=O)c1ccccn1 1458a_100000070787_100000027445 [0,1,0,0,0,1|2,0,0]=4 2884 B12R1.107 CC(=O)CC(=O)c1cccnc1 1458a_100000070787_100015188593 [0,1,0,0,0,1|2,0,0]=4 2885 B12R1.107 CC(=O)CC(=O)c1ccncc1 1458a_100000070787_100000027454 [0,1,0,0,0,1|2,0,0]=4 2886 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,1,0,0,0,1|1,0,0]=3 2887 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,1,0,0,0,1|1,0,0]=3 2888 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,1,0,0,0,1|1,0,0]=3 2889 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,1,0,0,0,1|1,0,0]=3 2890 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [0,1,0,0,0,1|1,0,0]=3 2891 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,1,0,0,0,1|1,0,0]=3 2892 B12R1.107 CC(=O)NC(C)c1ccccn1 11a_100000181244_100015343762 [0,1,0,0,0,1|2,0,0]=4 2893 B12R1.107 CC(=O)NC(C)c1ccccn1 1626a_100000181244_100015343762 [0,1,0,0,0,1|2,0,0]=4 2894 B12R1.107 CC(=O)NC(C)c1ccccn1 240690a_100000181244_100015343762 [0,1,0,0,0,1|2,0,0]=4 2895 B12R1.107 CC(=O)NC(C)c1ccccn1 527a_100000181244_100103153847 [0,1,0,0,0,1|2,0,0]=4 2896 B12R1.107 CC(=O)NC(C)c1cccnc1 11a_100000195435_100015343762 [0,1,0,0,0,1|2,0,0]=4 2897 B12R1.107 CC(=O)NC(C)c1cccnc1 240690a_100000195435_100015343762 [0,1,0,0,0,1|2,0,0]=4 2898 B12R1.107 CC(=O)NC(C)c1cccnc1 527a_100000195435_100103153847 [0,1,0,0,0,1|2,0,0]=4 2899 B12R1.107 CC(=O)NC(C)c1ccncc1 240690a_100000181269_100015343762 [0,1,0,0,0,1|2,0,0]=4 2900 B12R1.107 CC(=O)NC(C)c1ccncc1 527a_100000181269_100103153847 [0,1,0,0,0,1|2,0,0]=4 2901 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,1,0,0,0,1|1,0,0]=3 2902 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,1,0,0,0,1|1,0,0]=3 2903 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,1,0,0,0,1|1,0,0]=3 2904 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,1,0,0,0,1|1,0,0]=3 2905 B12R1.107 CC(C)OC(C)c1ccccc1 34a_100000212225_100000211855 [0,1,0,0,0,1|1,0,1]=4 2906 B12R1.107 CC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000210206 [0,1,0,0,0,1|1,0,1]=4 2907 B12R1.107 CC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000210206 [0,1,0,0,0,1|1,0,1]=4 2908 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,1,0,0,0,1|1,0,0]=3 2909 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,1,0,0,0,1|2,0,0]=4 2910 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,1,0,0,0,1|2,0,0]=4 2911 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,1,0,0,0,1|2,0,0]=4 2912 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,1,0,0,0,1|2,0,0]=4 2913 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,1,0,0,0,1|2,0,0]=4 2914 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,1,0,0,0,1|2,0,0]=4 2915 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [0,1,0,0,0,1|1,0,0]=3 2916 B12R1.107 CN(CC(=O)[O-])c1ccccc1 269982a_100000210012_100020667443 [0,1,0,0,0,1|2,0,0]=4 2917 B12R1.107 CN(CC(=O)[O-])c1ccccc1 34a_100000210012_100020667443 [0,1,0,0,0,1|2,0,0]=4 2918 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,1,0,0,0,1|2,0,0]=4 2919 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,1,0,0,0,1|2,0,0]=4 2920 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,1,0,0,0,1|1,0,0]=3 2921 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,1,0,0,0,1|2,0,0]=4 2922 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,1,0,0,0,1|2,0,0]=4 2923 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,1,0,0,0,1|2,0,0]=4 2924 B12R1.125 C=C(C)CNc1ccccc1Br 34a_100000210017_100000748629 [0,1,0,0,0,1|2,0,0]=4 2925 B12R1.125 C=C(C)CNc1ccccc1C 34a_100015192222_100000748629 [0,1,0,0,0,1|2,0,0]=4 2926 B12R1.125 C=C(C)CNc1ccccc1Cl 34a_100000185783_100000748629 [0,1,0,0,0,1|2,0,0]=4 2927 B12R1.125 C=C(C)CNc1ccccc1F 34a_100000210422_100000748629 [0,1,0,0,0,1|2,0,0]=4 2928 B12R1.125 C=C(C)CNc1ccccc1I 34a_100000210053_100000748629 [0,1,0,0,0,1|2,0,0]=4 2929 B12R1.125 C=C(C)CNc1ccccc1O 34a_100000185747_100000748629 [0,1,0,0,0,1|2,0,0]=4 2930 B12R1.125 C=C(C)COc1cccc[n+]1[O-] 7a_100000211761_100000748629 [0,1,0,0,0,1|2,0,0]=4 2931 B12R1.125 C=C(C)COc1ccccc1Br 34a_100000181306_100000748629 [0,1,0,0,0,1|1,0,0]=3 2932 B12R1.125 C=C(C)COc1ccccc1Br 7a_100000181306_100000748629 [0,1,0,0,0,1|1,0,0]=3 2933 B12R1.125 C=C(C)COc1ccccc1C 34a_100000210338_100000748629 [0,1,0,0,0,1|1,0,0]=3 2934 B12R1.125 C=C(C)COc1ccccc1C 7a_100000210338_100000748629 [0,1,0,0,0,1|1,0,0]=3 2935 B12R1.125 C=C(C)COc1ccccc1Cl 34a_100000210172_100000748629 [0,1,0,0,0,1|1,0,0]=3 2936 B12R1.125 C=C(C)COc1ccccc1Cl 7a_100000210172_100000748629 [0,1,0,0,0,1|1,0,0]=3 2937 B12R1.125 C=C(C)COc1ccccc1F 34a_100000210171_100000748629 [0,1,0,0,0,1|1,0,0]=3 2938 B12R1.125 C=C(C)COc1ccccc1F 7a_100000210171_100000748629 [0,1,0,0,0,1|1,0,0]=3 2939 B12R1.125 C=C(C)COc1ccccc1I 34a_100000739446_100000748629 [0,1,0,0,0,1|1,0,0]=3 2940 B12R1.125 C=C(C)COc1ccccc1I 7a_100000739446_100000748629 [0,1,0,0,0,1|1,0,0]=3 2941 B12R1.125 C=C(C)COc1ccccc1N 34a_100000185747_100000748629 [0,1,0,0,0,1|1,0,0]=3 2942 B12R1.125 C=C(C)COc1ccccc1N 7a_100000185747_100000748629 [0,1,0,0,0,1|1,0,0]=3 2943 B12R1.125 C=C(C)COc1cccnc1Br 34a_100000744436_100000748629 [0,1,0,0,0,1|2,0,0]=4 2944 B12R1.125 C=C(C)COc1cccnc1Br 7a_100000744436_100000748629 [0,1,0,0,0,1|2,0,0]=4 2945 B12R1.125 C=C(C)COc1cccnc1C 34a_100000745507_100000748629 [0,1,0,0,0,1|2,0,0]=4 2946 B12R1.125 C=C(C)COc1cccnc1C 7a_100000745507_100000748629 [0,1,0,0,0,1|2,0,0]=4 2947 B12R1.125 C=C(C)COc1cccnc1Cl 34a_100000757616_100000748629 [0,1,0,0,0,1|2,0,0]=4 2948 B12R1.125 C=C(C)COc1cccnc1Cl 7a_100000757616_100000748629 [0,1,0,0,0,1|2,0,0]=4 2949 B12R1.125 C=C(C)COc1cccnc1F 34a_100000061740_100000748629 [0,1,0,0,0,1|2,0,0]=4 2950 B12R1.125 C=C(C)COc1cccnc1F 7a_100000061740_100000748629 [0,1,0,0,0,1|2,0,0]=4 2951 B12R1.125 C=C(C)COc1cccnc1I 34a_100000034122_100000748629 [0,1,0,0,0,1|2,0,0]=4 2952 B12R1.125 C=C(C)COc1cccnc1I 7a_100000034122_100000748629 [0,1,0,0,0,1|2,0,0]=4 2953 B12R1.125 C=C(C)COc1cccnc1N 34a_100000211975_100000748629 [0,1,0,0,0,1|2,0,0]=4 2954 B12R1.125 C=C(C)COc1cccnc1N 7a_100000211975_100000748629 [0,1,0,0,0,1|2,0,0]=4 2955 B12R1.125 C=C(C)COc1cccoc1=O 34a_100000077404_100000748629 [0,1,0,0,0,1|2,0,0]=4 2956 B12R1.125 C=C(C)COc1cccoc1=O 7a_100000077404_100000748629 [0,1,0,0,0,1|2,0,0]=4 2957 B12R1.125 C=C(C)COc1ccncc1Br 34a_100011996408_100000748629 [0,1,0,0,0,1|2,0,0]=4 2958 B12R1.125 C=C(C)COc1ccncc1C 34a_100000694293_100000748629 [0,1,0,0,0,1|2,0,0]=4 2959 B12R1.125 C=C(C)COc1ccncc1Cl 34a_100011997054_100000748629 [0,1,0,0,0,1|2,0,0]=4 2960 B12R1.125 C=C(C)COc1ccncc1F 34a_200000081243_100000748629 [0,1,0,0,0,1|2,0,0]=4 2961 B12R1.125 C=C(C)COc1cnccc1C 34a_100011997053_100000748629 [0,1,0,0,0,1|2,0,0]=4 2962 B12R1.125 C=C(C)COc1cnccc1C 7a_100011997053_100000748629 [0,1,0,0,0,1|2,0,0]=4 2963 B12R1.125 C=C(C)COc1cnccc1Cl 34a_100011996695_100000748629 [0,1,0,0,0,1|2,0,0]=4 2964 B12R1.125 C=C(C)COc1cnccc1I 34a_100000050107_100000748629 [0,1,0,0,0,1|2,0,0]=4 2965 B12R1.125 C=C(C)COc1cnccc1N 34a_100000753702_100000748629 [0,1,0,0,0,1|2,0,0]=4 2966 B12R1.125 C=C(C)COc1coccc1=O 34a_100000060831_100000748629 [0,1,0,0,0,1|2,0,0]=4 2967 B12R1.125 C=C(C)COc1ncccc1Cl 34a_100011290957_100000748629 [0,1,0,0,0,1|2,0,0]=4 2968 B12R1.125 C=C(C)COc1ncccc1F 34a_100011219419_100000748629 [0,1,0,0,0,1|2,0,0]=4 2969 B12R1.125 C=C(C)COc1ncccc1N 34a_100000746358_100000748629 [0,1,0,0,0,1|2,0,0]=4 2970 B12R1.125 C=C(C)CSc1ccccc1Br 62a_100000695589_100000211660 [0,1,0,0,0,1|1,1,0]=4 2971 B12R1.125 C=C(C)CSc1ccccc1Br 62a_100000748629_100000695589 [0,1,0,0,0,1|1,1,0]=4 2972 B12R1.125 C=C(C)CSc1ccccc1C 62a_100000210755_100000211660 [0,1,0,0,0,1|1,1,0]=4 2973 B12R1.125 C=C(C)CSc1ccccc1C 62a_100000748629_100000210755 [0,1,0,0,0,1|1,1,0]=4 2974 B12R1.125 C=C(C)CSc1ccccc1Cl 62a_100000748629_100000764095 [0,1,0,0,0,1|1,1,0]=4 2975 B12R1.125 C=C(C)CSc1ccccc1Cl 62a_100000764095_100000211660 [0,1,0,0,0,1|1,1,0]=4 2976 B12R1.125 C=C(C)CSc1ccccc1F 62a_100000748629_100011215700 [0,1,0,0,0,1|1,1,0]=4 2977 B12R1.125 C=C(C)CSc1ccccc1F 62a_100011215700_100000211660 [0,1,0,0,0,1|1,1,0]=4 2978 B12R1.125 C=C(C)CSc1ccccc1N 62a_100000210017_100000211660 [0,1,0,0,0,1|1,1,0]=4 2979 B12R1.125 C=C(C)CSc1ccccc1N 62a_100000748629_100000210017 [0,1,0,0,0,1|1,1,0]=4 2980 B12R1.125 C=C(C)CSc1ccccc1O 62a_100000739446_100000211660 [0,1,0,0,0,1|1,1,0]=4 2981 B12R1.125 C=C(C)CSc1ccccc1O 62a_100000748629_100000739446 [0,1,0,0,0,1|1,1,0]=4 2982 B12R1.125 C=C(F)COc1ccccc1Br 34a_100000181306_100009893438 [0,1,0,0,0,1|1,0,1]=4 2983 B12R1.125 C=C(F)COc1ccccc1Br 7a_100000181306_100000042424 [0,1,0,0,0,1|1,0,1]=4 2984 B12R1.125 C=C(F)COc1ccccc1C 34a_100000210338_100009893438 [0,1,0,0,0,1|1,0,1]=4 2985 B12R1.125 C=C(F)COc1ccccc1C 7a_100000210338_100000042424 [0,1,0,0,0,1|1,0,1]=4 2986 B12R1.125 C=C(F)COc1ccccc1Cl 34a_100000210172_100009893438 [0,1,0,0,0,1|1,0,1]=4 2987 B12R1.125 C=C(F)COc1ccccc1Cl 7a_100000210172_100000042424 [0,1,0,0,0,1|1,0,1]=4 2988 B12R1.125 C=C(F)COc1ccccc1F 34a_100000210171_100009893438 [0,1,0,0,0,1|1,0,1]=4 2989 B12R1.125 C=C(F)COc1ccccc1F 7a_100000210171_100000042424 [0,1,0,0,0,1|1,0,1]=4 2990 B12R1.125 C=C(F)COc1ccccc1I 34a_100000739446_100009893438 [0,1,0,0,0,1|1,0,1]=4 2991 B12R1.125 C=C(F)COc1ccccc1I 7a_100000739446_100000042424 [0,1,0,0,0,1|1,0,1]=4 2992 B12R1.125 C=C(F)COc1ccccc1N 34a_100000185747_100009893438 [0,1,0,0,0,1|1,0,1]=4 2993 B12R1.125 C=C(F)COc1ccccc1N 7a_100000185747_100000042424 [0,1,0,0,0,1|1,0,1]=4 2994 B12R1.125 CC(=O)C#Cc1ccccc1F 1458a_100011892747_200000210301 [0,1,0,0,0,1|1,0,0]=3 2995 B12R1.125 CC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000210301 [0,1,0,0,0,1|1,0,0]=3 2996 B12R1.125 CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000210301 [0,1,0,0,0,1|1,0,0]=3 2997 B12R1.125 CC(=O)C=Cc1ccccc1F 1458a_100016256065_200000210301 [0,1,0,0,0,1|1,0,0]=3 2998 B12R1.125 CC(=O)C=Cc1ccccc1O 1458a_100016263591_200000210301 [0,1,0,0,0,1|1,0,0]=3 2999 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [0,1,0,0,0,1|1,0,0]=3 3000 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [0,1,0,0,0,1|1,0,0]=3 3001 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [0,1,0,0,0,1|1,0,0]=3 3002 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [0,1,0,0,0,1|1,0,0]=3 3003 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [0,1,0,0,0,1|1,0,0]=3 3004 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [0,1,0,0,0,1|1,0,0]=3 3005 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [0,1,0,0,0,1|1,0,0]=3 3006 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [0,1,0,0,0,1|1,0,0]=3 3007 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [0,1,0,0,0,1|1,0,0]=3 3008 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [0,1,0,0,0,1|1,0,0]=3 3009 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [0,1,0,0,0,1|1,0,0]=3 3010 B12R1.125 CC(=O)CCn1ccccc1=O 1458a_100000738505_200000210301 [0,1,0,0,0,1|2,0,0]=4 3011 B12R1.125 CC(=O)COc1ccccc1Br 1458a_100000216496_200000210301 [0,1,0,0,0,1|0,0,0]=2 3012 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [0,1,0,0,0,1|0,0,0]=2 3013 B12R1.125 CC(=O)COc1ccccc1Cl 1458a_100000185159_200000210301 [0,1,0,0,0,1|0,0,0]=2 3014 B12R1.125 CC(=O)COc1ccccc1F 1458a_100000182486_200000210301 [0,1,0,0,0,1|0,0,0]=2 3015 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [0,1,0,0,0,1|0,0,0]=2 3016 B12R1.125 CC(=O)CSc1ccccc1C 1458a_100000183026_200000210301 [0,1,0,0,0,1|0,1,0]=3 3017 B12R1.125 CC(=O)CSc1ccccc1F 1458a_100000179528_200000210301 [0,1,0,0,0,1|0,1,0]=3 3018 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [0,1,0,0,0,1|0,1,0]=3 3019 B12R1.125 CC(=O)NCc1ccccc1Br 11a_100000689332_100015343762 [0,1,0,0,0,1|1,0,0]=3 3020 B12R1.125 CC(=O)NCc1ccccc1Br 1626a_100000689332_100015343762 [0,1,0,0,0,1|1,0,0]=3 3021 B12R1.125 CC(=O)NCc1ccccc1Br 240690a_100000689332_100015343762 [0,1,0,0,0,1|1,0,0]=3 3022 B12R1.125 CC(=O)NCc1ccccc1Br 527a_100000689332_100103153847 [0,1,0,0,0,1|1,0,0]=3 3023 B12R1.125 CC(=O)NCc1ccccc1C 11a_100000174972_100015343762 [0,1,0,0,0,1|1,0,0]=3 3024 B12R1.125 CC(=O)NCc1ccccc1C 1626a_100000174972_100015343762 [0,1,0,0,0,1|1,0,0]=3 3025 B12R1.125 CC(=O)NCc1ccccc1C 240690a_100000174972_100015343762 [0,1,0,0,0,1|1,0,0]=3 3026 B12R1.125 CC(=O)NCc1ccccc1C 527a_100000174972_100103153847 [0,1,0,0,0,1|1,0,0]=3 3027 B12R1.125 CC(=O)NCc1ccccc1Cl 11a_100000174879_100015343762 [0,1,0,0,0,1|1,0,0]=3 3028 B12R1.125 CC(=O)NCc1ccccc1Cl 1626a_100000174879_100015343762 [0,1,0,0,0,1|1,0,0]=3 3029 B12R1.125 CC(=O)NCc1ccccc1Cl 240690a_100000174879_100015343762 [0,1,0,0,0,1|1,0,0]=3 3030 B12R1.125 CC(=O)NCc1ccccc1Cl 527a_100000174879_100103153847 [0,1,0,0,0,1|1,0,0]=3 3031 B12R1.125 CC(=O)NCc1ccccc1F 11a_100000174869_100015343762 [0,1,0,0,0,1|1,0,0]=3 3032 B12R1.125 CC(=O)NCc1ccccc1F 1626a_100000174869_100015343762 [0,1,0,0,0,1|1,0,0]=3 3033 B12R1.125 CC(=O)NCc1ccccc1F 240690a_100000174869_100015343762 [0,1,0,0,0,1|1,0,0]=3 3034 B12R1.125 CC(=O)NCc1ccccc1F 527a_100000174869_100103153847 [0,1,0,0,0,1|1,0,0]=3 3035 B12R1.125 CC(=O)NCc1ccccc1I 11a_100015347259_100015343762 [0,1,0,0,0,1|1,0,0]=3 3036 B12R1.125 CC(=O)NCc1ccccc1I 1626a_100015347259_100015343762 [0,1,0,0,0,1|1,0,0]=3 3037 B12R1.125 CC(=O)NCc1ccccc1I 240690a_100015347259_100015343762 [0,1,0,0,0,1|1,0,0]=3 3038 B12R1.125 CC(=O)NCc1ccccc1I 527a_100015347259_100103153847 [0,1,0,0,0,1|1,0,0]=3 3039 B12R1.125 CC(=O)NCc1ccccc1O 240690a_100000185550_100015343762 [0,1,0,0,0,1|1,0,0]=3 3040 B12R1.125 CC(=O)NCc1ccccc1O 271570a_203496583355_100011237613 [0,1,0,0,0,1|1,0,0]=3 3041 B12R1.125 CC(=O)NCc1ccccc1O 527a_100000185550_100103153847 [0,1,0,0,0,1|1,0,0]=3 3042 B12R1.125 CC(=O)NCc1cccnc1Br 11a_100009818023_100015343762 [0,1,0,0,0,1|2,0,0]=4 3043 B12R1.125 CC(=O)NCc1cccnc1Br 240690a_100009818023_100015343762 [0,1,0,0,0,1|2,0,0]=4 3044 B12R1.125 CC(=O)NCc1cccnc1Br 527a_100009818023_100103153847 [0,1,0,0,0,1|2,0,0]=4 3045 B12R1.125 CC(=O)NCc1cccnc1Cl 11a_100015189234_100015343762 [0,1,0,0,0,1|2,0,0]=4 3046 B12R1.125 CC(=O)NCc1cccnc1Cl 1626a_100015189234_100015343762 [0,1,0,0,0,1|2,0,0]=4 3047 B12R1.125 CC(=O)NCc1cccnc1Cl 240690a_100015189234_100015343762 [0,1,0,0,0,1|2,0,0]=4 3048 B12R1.125 CC(=O)NCc1cccnc1Cl 527a_100015189234_100103153847 [0,1,0,0,0,1|2,0,0]=4 3049 B12R1.125 CC(=O)NCc1cccnc1F 11a_100000724633_100015343762 [0,1,0,0,0,1|2,0,0]=4 3050 B12R1.125 CC(=O)NCc1cccnc1F 1626a_100000724633_100015343762 [0,1,0,0,0,1|2,0,0]=4 3051 B12R1.125 CC(=O)NCc1cccnc1F 240690a_100000724633_100015343762 [0,1,0,0,0,1|2,0,0]=4 3052 B12R1.125 CC(=O)NCc1cccnc1F 527a_100000724633_100103153847 [0,1,0,0,0,1|2,0,0]=4 3053 B12R1.125 CC(=O)NCc1ccncc1Br 11a_100020640021_100015343762 [0,1,0,0,0,1|2,0,0]=4 3054 B12R1.125 CC(=O)NCc1ccncc1Br 240690a_100020640021_100015343762 [0,1,0,0,0,1|2,0,0]=4 3055 B12R1.125 CC(=O)NCc1ccncc1Br 527a_100020640021_100103153847 [0,1,0,0,0,1|2,0,0]=4 3056 B12R1.125 CC(=O)NCc1ccncc1C 11a_100000708811_100015343762 [0,1,0,0,0,1|2,0,0]=4 3057 B12R1.125 CC(=O)NCc1ccncc1C 1626a_100000708811_100015343762 [0,1,0,0,0,1|2,0,0]=4 3058 B12R1.125 CC(=O)NCc1ccncc1C 240690a_100000708811_100015343762 [0,1,0,0,0,1|2,0,0]=4 3059 B12R1.125 CC(=O)NCc1ccncc1C 527a_100000708811_100103153847 [0,1,0,0,0,1|2,0,0]=4 3060 B12R1.125 CC(=O)NCc1ccncc1F 11a_100011935246_100015343762 [0,1,0,0,0,1|2,0,0]=4 3061 B12R1.125 CC(=O)NCc1ccncc1F 1626a_100011935246_100015343762 [0,1,0,0,0,1|2,0,0]=4 3062 B12R1.125 CC(=O)NCc1ccncc1F 240690a_100011935246_100015343762 [0,1,0,0,0,1|2,0,0]=4 3063 B12R1.125 CC(=O)NCc1ccncc1F 527a_100011935246_100103153847 [0,1,0,0,0,1|2,0,0]=4 3064 B12R1.125 CC(=O)NCc1cnccc1C 11a_100011997553_100015343762 [0,1,0,0,0,1|2,0,0]=4 3065 B12R1.125 CC(=O)NCc1cnccc1C 240690a_100011997553_100015343762 [0,1,0,0,0,1|2,0,0]=4 3066 B12R1.125 CC(=O)NCc1cnccc1C 527a_100011997553_100103153847 [0,1,0,0,0,1|2,0,0]=4 3067 B12R1.125 CC(=O)NCc1ncccc1Br 11a_100020591323_100015343762 [0,1,0,0,0,1|2,0,0]=4 3068 B12R1.125 CC(=O)NCc1ncccc1Br 240690a_100020591323_100015343762 [0,1,0,0,0,1|2,0,0]=4 3069 B12R1.125 CC(=O)NCc1ncccc1Br 527a_100020591323_100103153847 [0,1,0,0,0,1|2,0,0]=4 3070 B12R1.125 CC(=O)NCc1ncccc1C 11a_100011223789_100015343762 [0,1,0,0,0,1|2,0,0]=4 3071 B12R1.125 CC(=O)NCc1ncccc1C 1626a_100011223789_100015343762 [0,1,0,0,0,1|2,0,0]=4 3072 B12R1.125 CC(=O)NCc1ncccc1C 240690a_100011223789_100015343762 [0,1,0,0,0,1|2,0,0]=4 3073 B12R1.125 CC(=O)NCc1ncccc1C 527a_100011223789_100103153847 [0,1,0,0,0,1|2,0,0]=4 3074 B12R1.125 CC(=O)NCc1ncccc1Cl 11a_100015189233_100015343762 [0,1,0,0,0,1|2,0,0]=4 3075 B12R1.125 CC(=O)NCc1ncccc1Cl 1626a_100015189233_100015343762 [0,1,0,0,0,1|2,0,0]=4 3076 B12R1.125 CC(=O)NCc1ncccc1Cl 240690a_100015189233_100015343762 [0,1,0,0,0,1|2,0,0]=4 3077 B12R1.125 CC(=O)NCc1ncccc1Cl 527a_100015189233_100103153847 [0,1,0,0,0,1|2,0,0]=4 3078 B12R1.125 CC(=O)NCc1ncccc1F 11a_100000690088_100015343762 [0,1,0,0,0,1|2,0,0]=4 3079 B12R1.125 CC(=O)NCc1ncccc1F 1626a_100000690088_100015343762 [0,1,0,0,0,1|2,0,0]=4 3080 B12R1.125 CC(=O)NCc1ncccc1F 240690a_100000690088_100015343762 [0,1,0,0,0,1|2,0,0]=4 3081 B12R1.125 CC(=O)NCc1ncccc1F 527a_100000690088_100103153847 [0,1,0,0,0,1|2,0,0]=4 3082 B12R1.125 CC(=O)NNc1ccccc1Br 22a_100000241748_100000070787 [0,1,0,0,0,1|1,0,0]=3 3083 B12R1.125 CC(=O)NNc1ccccc1C 22a_100000184220_100000070787 [0,1,0,0,0,1|1,0,0]=3 3084 B12R1.125 CC(=O)NNc1ccccc1Cl 22a_100000683529_100000070787 [0,1,0,0,0,1|1,0,0]=3 3085 B12R1.125 CC(=O)NNc1ccccc1F 22a_100000239246_100000070787 [0,1,0,0,0,1|1,0,0]=3 3086 B12R1.125 CC(=O)NNc1ccccc1I 22a_100011218156_100000070787 [0,1,0,0,0,1|1,0,0]=3 3087 B12R1.125 CC(=O)NNc1cccnc1C 22a_100000730703_100000070787 [0,1,0,0,0,1|2,0,0]=4 3088 B12R1.125 CC(=O)NNc1ccncc1Br 22a_100013404636_100000070787 [0,1,0,0,0,1|2,0,0]=4 3089 B12R1.125 CC(=O)NNc1ccncc1C 22a_100011935204_100000070787 [0,1,0,0,0,1|2,0,0]=4 3090 B12R1.125 CC(=O)NNc1ncccc1Br 22a_100011464834_100000070787 [0,1,0,0,0,1|2,0,0]=4 3091 B12R1.125 CC(=O)NNc1ncccc1C 22a_100000708268_100000070787 [0,1,0,0,0,1|2,0,0]=4 3092 B12R1.125 CC(=O)NNc1ncccc1Cl 22a_100000741667_100000070787 [0,1,0,0,0,1|2,0,0]=4 3093 B12R1.125 CC(=O)NNc1ncccc1F 22a_100000717775_100000070787 [0,1,0,0,0,1|2,0,0]=4 3094 B12R1.125 CC(=O)NNc1ncccc1I 22a_100010221029_100000070787 [0,1,0,0,0,1|2,0,0]=4 3095 B12R1.125 CC(C)COc1ccccc1Br 34a_100000181306_100000210624 [0,1,0,0,0,1|1,0,1]=4 3096 B12R1.125 CC(C)COc1ccccc1Br 7a_100000181306_100000210760 [0,1,0,0,0,1|1,0,1]=4 3097 B12R1.125 CC(C)COc1ccccc1Cl 34a_100000210172_100000210624 [0,1,0,0,0,1|1,0,1]=4 3098 B12R1.125 CC(C)COc1ccccc1Cl 7a_100000210172_100000210760 [0,1,0,0,0,1|1,0,1]=4 3099 B12R1.125 CC(C)COc1ccccc1F 34a_100000210171_100000210624 [0,1,0,0,0,1|1,0,1]=4 3100 B12R1.125 CC(C)COc1ccccc1F 7a_100000210171_100000210760 [0,1,0,0,0,1|1,0,1]=4 3101 B12R1.125 CC(C)COc1ccccc1I 34a_100000739446_100000210624 [0,1,0,0,0,1|1,0,1]=4 3102 B12R1.125 CC(C)COc1ccccc1I 7a_100000739446_100000210760 [0,1,0,0,0,1|1,0,1]=4 3103 B12R1.125 CC(C)COc1ccccc1N 34a_100000185747_100000210624 [0,1,0,0,0,1|1,0,1]=4 3104 B12R1.125 CC(C)COc1ccccc1N 7a_100000185747_100000210760 [0,1,0,0,0,1|1,0,1]=4 3105 B12R1.125 CC(C)OCc1ccccc1Br 34a_100000212225_100000184730 [0,1,0,0,0,1|1,0,1]=4 3106 B12R1.125 CC(C)OCc1ccccc1Br 34a_100000756307_100000210206 [0,1,0,0,0,1|1,0,1]=4 3107 B12R1.125 CC(C)OCc1ccccc1Br 7a_100000756307_100000210206 [0,1,0,0,0,1|1,0,1]=4 3108 B12R1.125 CC(C)OCc1ccccc1Cl 34a_100000210847_100000210206 [0,1,0,0,0,1|1,0,1]=4 3109 B12R1.125 CC(C)OCc1ccccc1Cl 34a_100000212225_100000187162 [0,1,0,0,0,1|1,0,1]=4 3110 B12R1.125 CC(C)OCc1ccccc1Cl 7a_100000210847_100000210206 [0,1,0,0,0,1|1,0,1]=4 3111 B12R1.125 CC(C)OCc1ccccc1F 34a_100000211962_100000210206 [0,1,0,0,0,1|1,0,1]=4 3112 B12R1.125 CC(C)OCc1ccccc1F 34a_100000212225_100000211605 [0,1,0,0,0,1|1,0,1]=4 3113 B12R1.125 CC(C)OCc1ccccc1F 7a_100000211962_100000210206 [0,1,0,0,0,1|1,0,1]=4 3114 B12R1.125 CC(C)OCc1ccccc1I 34a_100000187465_100000210206 [0,1,0,0,0,1|1,0,1]=4 3115 B12R1.125 CC(C)OCc1ccccc1I 34a_100000212225_100011215278 [0,1,0,0,0,1|1,0,1]=4 3116 B12R1.125 CC(C)OCc1ccccc1I 7a_100000187465_100000210206 [0,1,0,0,0,1|1,0,1]=4 3117 B12R1.125 CC(C)OCc1ccccc1N 34a_100000212039_100000210206 [0,1,0,0,0,1|1,0,1]=4 3118 B12R1.125 CC(O)COc1ccccc1Br 34a_100000181306_100011218427 [0,1,0,0,0,1|0,0,2]=4 3119 B12R1.125 CC(O)COc1ccccc1Br 7a_100000181306_100011218427 [0,1,0,0,0,1|0,0,2]=4 3120 B12R1.125 CC(O)COc1ccccc1Cl 34a_100000210172_100011218427 [0,1,0,0,0,1|0,0,2]=4 3121 B12R1.125 CC(O)COc1ccccc1Cl 7a_100000210172_100011218427 [0,1,0,0,0,1|0,0,2]=4 3122 B12R1.125 CC(O)COc1ccccc1F 34a_100000210171_100011218427 [0,1,0,0,0,1|0,0,2]=4 3123 B12R1.125 CC(O)COc1ccccc1F 7a_100000210171_100011218427 [0,1,0,0,0,1|0,0,2]=4 3124 B12R1.125 CC(O)COc1ccccc1I 34a_100000739446_100011218427 [0,1,0,0,0,1|0,0,2]=4 3125 B12R1.125 CC(O)COc1ccccc1I 7a_100000739446_100011218427 [0,1,0,0,0,1|0,0,2]=4 3126 B12R1.125 CC(O)COc1ccccc1N 34a_100000185747_100011218427 [0,1,0,0,0,1|0,0,2]=4 3127 B12R1.125 CC(O)COc1ccccc1N 7a_100000185747_100011218427 [0,1,0,0,0,1|0,0,2]=4 3128 B12R1.125 C[C@@H](O)COc1ccccc1Br 34a_100000181306_100009817552 [0,1,0,0,0,1|0,0,2]=4 3129 B12R1.125 C[C@@H](O)COc1ccccc1Br 7a_100000181306_100009817552 [0,1,0,0,0,1|0,0,2]=4 3130 B12R1.125 C[C@@H](O)COc1ccccc1Cl 34a_100000210172_100009817552 [0,1,0,0,0,1|0,0,2]=4 3131 B12R1.125 C[C@@H](O)COc1ccccc1Cl 7a_100000210172_100009817552 [0,1,0,0,0,1|0,0,2]=4 3132 B12R1.125 C[C@@H](O)COc1ccccc1F 34a_100000210171_100009817552 [0,1,0,0,0,1|0,0,2]=4 3133 B12R1.125 C[C@@H](O)COc1ccccc1F 7a_100000210171_100009817552 [0,1,0,0,0,1|0,0,2]=4 3134 B12R1.125 C[C@@H](O)COc1ccccc1I 34a_100000739446_100009817552 [0,1,0,0,0,1|0,0,2]=4 3135 B12R1.125 C[C@@H](O)COc1ccccc1I 7a_100000739446_100009817552 [0,1,0,0,0,1|0,0,2]=4 3136 B12R1.125 C[C@@H](O)COc1ccccc1N 34a_100000185747_100009817552 [0,1,0,0,0,1|0,0,2]=4 3137 B12R1.125 C[C@@H](O)COc1ccccc1N 7a_100000185747_100009817552 [0,1,0,0,0,1|0,0,2]=4 3138 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [0,1,0,0,0,1|1,0,0]=3 3139 B12R1.125 Cc1ccccc1COC(C)C 34a_100000212225_100000211839 [0,1,0,0,0,1|1,0,1]=4 3140 B12R1.125 Cc1ccccc1COC(C)C 34a_100000698903_100000210206 [0,1,0,0,0,1|1,0,1]=4 3141 B12R1.125 Cc1ccccc1COC(C)C 7a_100000698903_100000210206 [0,1,0,0,0,1|1,0,1]=4 3142 B12R1.125 Cc1ccccc1NCC(=O)N 34a_100015192222_100000187820 [0,1,0,0,0,1|2,0,0]=4 3143 B12R1.125 Cc1ccccc1NCC(=O)[O-] 34a_100015192222_100020667443 [0,1,0,0,0,1|2,0,0]=4 3144 B12R1.125 Cc1ccccc1OCC(=O)N 34a_100000210338_100000187820 [0,1,0,0,0,1|1,0,0]=3 3145 B12R1.125 Cc1ccccc1OCC(=O)N 7a_100000210338_100000187820 [0,1,0,0,0,1|1,0,0]=3 3146 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [0,1,0,0,0,1|0,0,0]=2 3147 B12R1.125 Cc1ccccc1OCC(=O)[O-] 34a_100000210338_100020667443 [0,1,0,0,0,1|1,0,0]=3 3148 B12R1.125 Cc1ccccc1OCC(C)C 34a_100000210338_100000210624 [0,1,0,0,0,1|1,0,1]=4 3149 B12R1.125 Cc1ccccc1OCC(C)C 7a_100000210338_100000210760 [0,1,0,0,0,1|1,0,1]=4 3150 B12R1.125 Cc1ccccc1OCC(C)O 34a_100000210338_100011218427 [0,1,0,0,0,1|0,0,2]=4 3151 B12R1.125 Cc1ccccc1OCC(C)O 7a_100000210338_100011218427 [0,1,0,0,0,1|0,0,2]=4 3152 B12R1.125 Cc1ccccc1OC[C@@H](C)O 34a_100000210338_100009817552 [0,1,0,0,0,1|0,0,2]=4 3153 B12R1.125 Cc1ccccc1OC[C@@H](C)O 7a_100000210338_100009817552 [0,1,0,0,0,1|0,0,2]=4 3154 B12R1.125 Cc1ccccc1OC[N+](=O)[O-] 34a_100000210338_100000761209 [0,1,0,0,0,1|2,0,0]=4 3155 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000210755_100000747473 [0,1,0,0,0,1|1,1,0]=4 3156 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000747473_100000210755 [0,1,0,0,0,1|1,1,0]=4 3157 B12R1.125 Cc1ccccc1SCC(=O)[13CH3] 1458a_100000183026_200025704644 [0,1,0,0,0,1|0,1,0]=3 3158 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100000210755_100020667443 [0,1,0,0,0,1|1,1,0]=4 3159 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210755 [0,1,0,0,0,1|1,1,0]=4 3160 B12R1.125 Cc1ccncc1OCC(=O)N 34a_100011997053_100000187820 [0,1,0,0,0,1|2,0,0]=4 3161 B12R1.125 Cc1ccncc1OCC(=O)N 7a_100011997053_100000187820 [0,1,0,0,0,1|2,0,0]=4 3162 B12R1.125 Cc1ccncc1OCC(=O)[O-] 34a_100011997053_100020667443 [0,1,0,0,0,1|2,0,0]=4 3163 B12R1.125 Cc1cnccc1OCC(=O)N 34a_100000694293_100000187820 [0,1,0,0,0,1|2,0,0]=4 3164 B12R1.125 Cc1cnccc1OCC(=O)[O-] 34a_100000694293_100020667443 [0,1,0,0,0,1|2,0,0]=4 3165 B12R1.125 Cc1ncccc1OCC(=O)N 34a_100000745507_100000187820 [0,1,0,0,0,1|2,0,0]=4 3166 B12R1.125 Cc1ncccc1OCC(=O)N 7a_100000745507_100000187820 [0,1,0,0,0,1|2,0,0]=4 3167 B12R1.125 Cc1ncccc1OCC(=O)[O-] 34a_100000745507_100020667443 [0,1,0,0,0,1|2,0,0]=4 3168 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [0,1,0,0,0,1|2,0,0]=4 3169 B12R1.125 NC(=O)CNc1ccccc1Br 34a_100000210017_100000187820 [0,1,0,0,0,1|2,0,0]=4 3170 B12R1.125 NC(=O)CNc1ccccc1Cl 34a_100000185783_100000187820 [0,1,0,0,0,1|2,0,0]=4 3171 B12R1.125 NC(=O)CNc1ccccc1F 34a_100000210422_100000187820 [0,1,0,0,0,1|2,0,0]=4 3172 B12R1.125 NC(=O)CNc1ccccc1I 34a_100000210053_100000187820 [0,1,0,0,0,1|2,0,0]=4 3173 B12R1.125 NC(=O)CNc1ccccc1O 34a_100000185747_100000187820 [0,1,0,0,0,1|2,0,0]=4 3174 B12R1.125 NC(=O)COc1cccc[n+]1[O-] 7a_100000211761_100000187820 [0,1,0,0,0,1|2,0,0]=4 3175 B12R1.125 NC(=O)COc1ccccc1Br 34a_100000181306_100000187820 [0,1,0,0,0,1|1,0,0]=3 3176 B12R1.125 NC(=O)COc1ccccc1Br 7a_100000181306_100000187820 [0,1,0,0,0,1|1,0,0]=3 3177 B12R1.125 NC(=O)COc1ccccc1Cl 34a_100000210172_100000187820 [0,1,0,0,0,1|1,0,0]=3 3178 B12R1.125 NC(=O)COc1ccccc1Cl 7a_100000210172_100000187820 [0,1,0,0,0,1|1,0,0]=3 3179 B12R1.125 NC(=O)COc1ccccc1F 34a_100000210171_100000187820 [0,1,0,0,0,1|1,0,0]=3 3180 B12R1.125 NC(=O)COc1ccccc1F 7a_100000210171_100000187820 [0,1,0,0,0,1|1,0,0]=3 3181 B12R1.125 NC(=O)COc1ccccc1I 34a_100000739446_100000187820 [0,1,0,0,0,1|1,0,0]=3 3182 B12R1.125 NC(=O)COc1ccccc1I 7a_100000739446_100000187820 [0,1,0,0,0,1|1,0,0]=3 3183 B12R1.125 NC(=O)COc1ccccc1N 34a_100000185747_100000187820 [0,1,0,0,0,1|1,0,0]=3 3184 B12R1.125 NC(=O)COc1ccccc1N 7a_100000185747_100000187820 [0,1,0,0,0,1|1,0,0]=3 3185 B12R1.125 NC(=O)COc1ccccc1O 271570a_203496583355_200000148491 [0,1,0,0,0,1|1,0,0]=3 3186 B12R1.125 NC(=O)COc1cccnc1Br 34a_100000744436_100000187820 [0,1,0,0,0,1|2,0,0]=4 3187 B12R1.125 NC(=O)COc1cccnc1Br 7a_100000744436_100000187820 [0,1,0,0,0,1|2,0,0]=4 3188 B12R1.125 NC(=O)COc1cccnc1Cl 34a_100000757616_100000187820 [0,1,0,0,0,1|2,0,0]=4 3189 B12R1.125 NC(=O)COc1cccnc1Cl 7a_100000757616_100000187820 [0,1,0,0,0,1|2,0,0]=4 3190 B12R1.125 NC(=O)COc1cccnc1F 34a_100000061740_100000187820 [0,1,0,0,0,1|2,0,0]=4 3191 B12R1.125 NC(=O)COc1cccnc1F 7a_100000061740_100000187820 [0,1,0,0,0,1|2,0,0]=4 3192 B12R1.125 NC(=O)COc1cccnc1I 34a_100000034122_100000187820 [0,1,0,0,0,1|2,0,0]=4 3193 B12R1.125 NC(=O)COc1cccnc1I 7a_100000034122_100000187820 [0,1,0,0,0,1|2,0,0]=4 3194 B12R1.125 NC(=O)COc1cccnc1N 34a_100000211975_100000187820 [0,1,0,0,0,1|2,0,0]=4 3195 B12R1.125 NC(=O)COc1cccnc1N 7a_100000211975_100000187820 [0,1,0,0,0,1|2,0,0]=4 3196 B12R1.125 NC(=O)COc1cccoc1=O 34a_100000077404_100000187820 [0,1,0,0,0,1|2,0,0]=4 3197 B12R1.125 NC(=O)COc1cccoc1=O 7a_100000077404_100000187820 [0,1,0,0,0,1|2,0,0]=4 3198 B12R1.125 NC(=O)COc1ccncc1Br 34a_100011996408_100000187820 [0,1,0,0,0,1|2,0,0]=4 3199 B12R1.125 NC(=O)COc1ccncc1Cl 34a_100011997054_100000187820 [0,1,0,0,0,1|2,0,0]=4 3200 B12R1.125 NC(=O)COc1ccncc1F 34a_200000081243_100000187820 [0,1,0,0,0,1|2,0,0]=4 3201 B12R1.125 NC(=O)COc1cnccc1Cl 34a_100011996695_100000187820 [0,1,0,0,0,1|2,0,0]=4 3202 B12R1.125 NC(=O)COc1cnccc1I 34a_100000050107_100000187820 [0,1,0,0,0,1|2,0,0]=4 3203 B12R1.125 NC(=O)COc1cnccc1N 34a_100000753702_100000187820 [0,1,0,0,0,1|2,0,0]=4 3204 B12R1.125 NC(=O)COc1coccc1=O 34a_100000060831_100000187820 [0,1,0,0,0,1|2,0,0]=4 3205 B12R1.125 NC(=O)COc1ncccc1Cl 34a_100011290957_100000187820 [0,1,0,0,0,1|2,0,0]=4 3206 B12R1.125 NC(=O)COc1ncccc1F 34a_100011219419_100000187820 [0,1,0,0,0,1|2,0,0]=4 3207 B12R1.125 NC(=O)COc1ncccc1N 34a_100000746358_100000187820 [0,1,0,0,0,1|2,0,0]=4 3208 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000695589_100000747473 [0,1,0,0,0,1|1,1,0]=4 3209 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000747473_100000695589 [0,1,0,0,0,1|1,1,0]=4 3210 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000747473_100000764095 [0,1,0,0,0,1|1,1,0]=4 3211 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000764095_100000747473 [0,1,0,0,0,1|1,1,0]=4 3212 B12R1.125 NC(=O)CSc1ccccc1F 62a_100000747473_100011215700 [0,1,0,0,0,1|1,1,0]=4 3213 B12R1.125 NC(=O)CSc1ccccc1F 62a_100011215700_100000747473 [0,1,0,0,0,1|1,1,0]=4 3214 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000210017_100000747473 [0,1,0,0,0,1|1,1,0]=4 3215 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000747473_100000210017 [0,1,0,0,0,1|1,1,0]=4 3216 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000739446_100000747473 [0,1,0,0,0,1|1,1,0]=4 3217 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000747473_100000739446 [0,1,0,0,0,1|1,1,0]=4 3218 B12R1.125 Nc1ccccc1OCC(=O)[O-] 34a_100000185747_100020667443 [0,1,0,0,0,1|1,0,0]=3 3219 B12R1.125 Nc1ccccc1OC[N+](=O)[O-] 34a_100000185747_100000761209 [0,1,0,0,0,1|2,0,0]=4 3220 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100000210017_100020667443 [0,1,0,0,0,1|1,1,0]=4 3221 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210017 [0,1,0,0,0,1|1,1,0]=4 3222 B12R1.125 Nc1cccnc1OCC(=O)[O-] 34a_100000746358_100020667443 [0,1,0,0,0,1|2,0,0]=4 3223 B12R1.125 Nc1ccncc1OCC(=O)[O-] 34a_100000753702_100020667443 [0,1,0,0,0,1|2,0,0]=4 3224 B12R1.125 Nc1ncccc1OCC(=O)[O-] 34a_100000211975_100020667443 [0,1,0,0,0,1|2,0,0]=4 3225 B12R1.125 O=C([O-])CNc1ccccc1Br 34a_100000210017_100020667443 [0,1,0,0,0,1|2,0,0]=4 3226 B12R1.125 O=C([O-])CNc1ccccc1Cl 34a_100000185783_100020667443 [0,1,0,0,0,1|2,0,0]=4 3227 B12R1.125 O=C([O-])CNc1ccccc1F 34a_100000210422_100020667443 [0,1,0,0,0,1|2,0,0]=4 3228 B12R1.125 O=C([O-])CNc1ccccc1I 34a_100000210053_100020667443 [0,1,0,0,0,1|2,0,0]=4 3229 B12R1.125 O=C([O-])CNc1ccccc1O 34a_100000185747_100020667443 [0,1,0,0,0,1|2,0,0]=4 3230 B12R1.125 O=C([O-])COc1ccccc1Br 34a_100000181306_100020667443 [0,1,0,0,0,1|1,0,0]=3 3231 B12R1.125 O=C([O-])COc1ccccc1Cl 34a_100000210172_100020667443 [0,1,0,0,0,1|1,0,0]=3 3232 B12R1.125 O=C([O-])COc1ccccc1F 34a_100000210171_100020667443 [0,1,0,0,0,1|1,0,0]=3 3233 B12R1.125 O=C([O-])COc1ccccc1I 34a_100000739446_100020667443 [0,1,0,0,0,1|1,0,0]=3 3234 B12R1.125 O=C([O-])COc1cccnc1Br 34a_100000744436_100020667443 [0,1,0,0,0,1|2,0,0]=4 3235 B12R1.125 O=C([O-])COc1cccnc1Cl 34a_100000757616_100020667443 [0,1,0,0,0,1|2,0,0]=4 3236 B12R1.125 O=C([O-])COc1cccnc1F 34a_100000061740_100020667443 [0,1,0,0,0,1|2,0,0]=4 3237 B12R1.125 O=C([O-])COc1cccnc1I 34a_100000034122_100020667443 [0,1,0,0,0,1|2,0,0]=4 3238 B12R1.125 O=C([O-])COc1cccoc1=O 34a_100000077404_100020667443 [0,1,0,0,0,1|2,0,0]=4 3239 B12R1.125 O=C([O-])COc1ccncc1Br 34a_100011996408_100020667443 [0,1,0,0,0,1|2,0,0]=4 3240 B12R1.125 O=C([O-])COc1ccncc1Cl 34a_100011997054_100020667443 [0,1,0,0,0,1|2,0,0]=4 3241 B12R1.125 O=C([O-])COc1ccncc1F 34a_200000081243_100020667443 [0,1,0,0,0,1|2,0,0]=4 3242 B12R1.125 O=C([O-])COc1cnccc1Cl 34a_100011996695_100020667443 [0,1,0,0,0,1|2,0,0]=4 3243 B12R1.125 O=C([O-])COc1cnccc1I 34a_100000050107_100020667443 [0,1,0,0,0,1|2,0,0]=4 3244 B12R1.125 O=C([O-])COc1coccc1=O 34a_100000060831_100020667443 [0,1,0,0,0,1|2,0,0]=4 3245 B12R1.125 O=C([O-])COc1ncccc1Cl 34a_100011290957_100020667443 [0,1,0,0,0,1|2,0,0]=4 3246 B12R1.125 O=C([O-])COc1ncccc1F 34a_100011219419_100020667443 [0,1,0,0,0,1|2,0,0]=4 3247 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100000695589_100020667443 [0,1,0,0,0,1|1,1,0]=4 3248 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100020667443_100000695589 [0,1,0,0,0,1|1,1,0]=4 3249 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100000764095_100020667443 [0,1,0,0,0,1|1,1,0]=4 3250 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100020667443_100000764095 [0,1,0,0,0,1|1,1,0]=4 3251 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100011215700_100020667443 [0,1,0,0,0,1|1,1,0]=4 3252 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100020667443_100011215700 [0,1,0,0,0,1|1,1,0]=4 3253 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100000739446_100020667443 [0,1,0,0,0,1|1,1,0]=4 3254 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100020667443_100000739446 [0,1,0,0,0,1|1,1,0]=4 3255 B12R1.125 O=[N+]([O-])COc1ccccc1Br 34a_100000181306_100000761209 [0,1,0,0,0,1|2,0,0]=4 3256 B12R1.125 O=[N+]([O-])COc1ccccc1Cl 34a_100000210172_100000761209 [0,1,0,0,0,1|2,0,0]=4 3257 B12R1.125 O=[N+]([O-])COc1ccccc1F 34a_100000210171_100000761209 [0,1,0,0,0,1|2,0,0]=4 3258 B12R1.125 O=[N+]([O-])COc1ccccc1I 34a_100000739446_100000761209 [0,1,0,0,0,1|2,0,0]=4 3259 B12R1.125 [13CH3]C(=O)C#Cc1ccccc1F 1458a_100011892747_200025704644 [0,1,0,0,0,1|1,0,0]=3 3260 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Br 1458a_100000719032_200025704644 [0,1,0,0,0,1|1,0,0]=3 3261 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Cl 1458a_100000720304_200025704644 [0,1,0,0,0,1|1,0,0]=3 3262 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1F 1458a_100016256065_200025704644 [0,1,0,0,0,1|1,0,0]=3 3263 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1O 1458a_100016263591_200025704644 [0,1,0,0,0,1|1,0,0]=3 3264 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [0,1,0,0,0,1|1,0,0]=3 3265 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [0,1,0,0,0,1|1,0,0]=3 3266 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [0,1,0,0,0,1|1,0,0]=3 3267 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [0,1,0,0,0,1|1,0,0]=3 3268 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [0,1,0,0,0,1|1,0,0]=3 3269 B12R1.125 [13CH3]C(=O)CCn1ccccc1=O 1458a_100000738505_200025704644 [0,1,0,0,0,1|2,0,0]=4 3270 B12R1.125 [13CH3]C(=O)COc1ccccc1Br 1458a_100000216496_200025704644 [0,1,0,0,0,1|0,0,0]=2 3271 B12R1.125 [13CH3]C(=O)COc1ccccc1Cl 1458a_100000185159_200025704644 [0,1,0,0,0,1|0,0,0]=2 3272 B12R1.125 [13CH3]C(=O)COc1ccccc1F 1458a_100000182486_200025704644 [0,1,0,0,0,1|0,0,0]=2 3273 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [0,1,0,0,0,1|0,0,0]=2 3274 B12R1.125 [13CH3]C(=O)CSc1ccccc1F 1458a_100000179528_200025704644 [0,1,0,0,0,1|0,1,0]=3 3275 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [0,1,0,0,0,1|0,1,0]=3 3276 B12R1.226 C=C(C)CNc1cccc(c1)Br 34a_100000210019_100000748629 [0,1,0,0,0,1|2,0,0]=4 3277 B12R1.226 C=C(C)CNc1cccc(c1)C 2230a_100000188690_100000748629 [0,1,0,0,0,1|2,0,0]=4 3278 B12R1.226 C=C(C)CNc1cccc(c1)C 34a_100000188690_100000748629 [0,1,0,0,0,1|2,0,0]=4 3279 B12R1.226 C=C(C)CNc1cccc(c1)Cl 34a_100000185859_100000748629 [0,1,0,0,0,1|2,0,0]=4 3280 B12R1.226 C=C(C)CNc1cccc(c1)F 34a_100000210047_100000748629 [0,1,0,0,0,1|2,0,0]=4 3281 B12R1.226 C=C(C)CNc1cccc(c1)I 34a_100000211102_100000748629 [0,1,0,0,0,1|2,0,0]=4 3282 B12R1.226 C=C(C)CNc1cccc(c1)O 34a_100000210217_100000748629 [0,1,0,0,0,1|2,0,0]=4 3283 B12R1.226 C=C(C)COc1cc[nH]c(=O)c1 34a_100000032262_100000748629 [0,1,0,0,0,1|2,0,0]=4 3284 B12R1.226 C=C(C)COc1ccc[n+](c1)[O-] 34a_100000039713_100000748629 [0,1,0,0,0,1|2,0,0]=4 3285 B12R1.226 C=C(C)COc1ccc[n+](c1)[O-] 7a_100000039713_100000748629 [0,1,0,0,0,1|2,0,0]=4 3286 B12R1.226 C=C(C)COc1cccc(=O)[nH]1 34a_100000033347_100000748629 [0,1,0,0,0,1|2,0,0]=4 3287 B12R1.226 C=C(C)COc1cccc(c1)Br 34a_100000210342_100000748629 [0,1,0,0,0,1|1,0,0]=3 3288 B12R1.226 C=C(C)COc1cccc(c1)Br 7a_100000210342_100000748629 [0,1,0,0,0,1|1,0,0]=3 3289 B12R1.226 C=C(C)COc1cccc(c1)C 34a_100000210337_100000748629 [0,1,0,0,0,1|1,0,0]=3 3290 B12R1.226 C=C(C)COc1cccc(c1)C 7a_100000210337_100000748629 [0,1,0,0,0,1|1,0,0]=3 3291 B12R1.226 C=C(C)COc1cccc(c1)Cl 34a_100000210295_100000748629 [0,1,0,0,0,1|1,0,0]=3 3292 B12R1.226 C=C(C)COc1cccc(c1)Cl 7a_100000210295_100000748629 [0,1,0,0,0,1|1,0,0]=3 3293 B12R1.226 C=C(C)COc1cccc(c1)F 34a_100000210426_100000748629 [0,1,0,0,0,1|1,0,0]=3 3294 B12R1.226 C=C(C)COc1cccc(c1)F 7a_100000210426_100000748629 [0,1,0,0,0,1|1,0,0]=3 3295 B12R1.226 C=C(C)COc1cccc(c1)I 34a_100000211634_100000748629 [0,1,0,0,0,1|1,0,0]=3 3296 B12R1.226 C=C(C)COc1cccc(c1)I 7a_100000211634_100000748629 [0,1,0,0,0,1|1,0,0]=3 3297 B12R1.226 C=C(C)COc1cccc(c1)N 34a_100000210217_100000748629 [0,1,0,0,0,1|1,0,0]=3 3298 B12R1.226 C=C(C)COc1cccc(n1)F 34a_100011432558_100000748629 [0,1,0,0,0,1|2,0,0]=4 3299 B12R1.226 C=C(C)COc1ccnc(c1)C 34a_100000688365_100000748629 [0,1,0,0,0,1|2,0,0]=4 3300 B12R1.226 C=C(C)COc1ccnc(c1)Cl 34a_100000762945_100000748629 [0,1,0,0,0,1|2,0,0]=4 3301 B12R1.226 C=C(C)COc1ccnc(c1)F 34a_100000732698_100000748629 [0,1,0,0,0,1|2,0,0]=4 3302 B12R1.226 C=C(C)COc1ccnc(c1)N 34a_100011834064_100000748629 [0,1,0,0,0,1|2,0,0]=4 3303 B12R1.226 C=C(C)COc1cncc(c1)Br 34a_100000754920_100000748629 [0,1,0,0,0,1|2,0,0]=4 3304 B12R1.226 C=C(C)COc1cncc(c1)Br 7a_100000754920_100000748629 [0,1,0,0,0,1|2,0,0]=4 3305 B12R1.226 C=C(C)COc1cncc(c1)C 34a_100011830280_100000748629 [0,1,0,0,0,1|2,0,0]=4 3306 B12R1.226 C=C(C)COc1cncc(c1)C 7a_100011830280_100000748629 [0,1,0,0,0,1|2,0,0]=4 3307 B12R1.226 C=C(C)COc1cncc(c1)Cl 7a_100000032511_100000748629 [0,1,0,0,0,1|2,0,0]=4 3308 B12R1.226 C=C(C)COc1cncc(c1)F 34a_100011830296_100000748629 [0,1,0,0,0,1|2,0,0]=4 3309 B12R1.226 C=C(C)COc1cncc(c1)F 7a_100011830296_100000748629 [0,1,0,0,0,1|2,0,0]=4 3310 B12R1.226 C=C(C)COc1cncc(c1)N 34a_100011997051_100000748629 [0,1,0,0,0,1|2,0,0]=4 3311 B12R1.226 C=C(C)CSc1cccc(c1)Br 62a_100000691529_100000211660 [0,1,0,0,0,1|1,1,0]=4 3312 B12R1.226 C=C(C)CSc1cccc(c1)Br 62a_100000748629_100000691529 [0,1,0,0,0,1|1,1,0]=4 3313 B12R1.226 C=C(C)CSc1cccc(c1)C 62a_100000748629_100011215228 [0,1,0,0,0,1|1,1,0]=4 3314 B12R1.226 C=C(C)CSc1cccc(c1)C 62a_100011215228_100000211660 [0,1,0,0,0,1|1,1,0]=4 3315 B12R1.226 C=C(C)CSc1cccc(c1)Cl 62a_100000699651_100000211660 [0,1,0,0,0,1|1,1,0]=4 3316 B12R1.226 C=C(C)CSc1cccc(c1)Cl 62a_100000748629_100000699651 [0,1,0,0,0,1|1,1,0]=4 3317 B12R1.226 C=C(C)CSc1cccc(c1)F 62a_100000685547_100000211660 [0,1,0,0,0,1|1,1,0]=4 3318 B12R1.226 C=C(C)CSc1cccc(c1)F 62a_100000748629_100000685547 [0,1,0,0,0,1|1,1,0]=4 3319 B12R1.226 C=C(C)CSc1cccc(c1)N 62a_100000210019_100000211660 [0,1,0,0,0,1|1,1,0]=4 3320 B12R1.226 C=C(C)CSc1cccc(c1)N 62a_100000748629_100000210019 [0,1,0,0,0,1|1,1,0]=4 3321 B12R1.226 C=C(C)CSc1cccc(c1)O 62a_100000748629_100000211634 [0,1,0,0,0,1|1,1,0]=4 3322 B12R1.226 C=C(C)CSc1cccc(c1)[S] 62a_100000748629_114929384022 [0,1,0,0,0,1|1,1,0]=4 3323 B12R1.226 C=C(C)CSc1cccc(c1)[S] 62a_114929384022_100000211660 [0,1,0,0,0,1|1,1,0]=4 3324 B12R1.226 C=C(F)COc1cccc(c1)Br 34a_100000210342_100009893438 [0,1,0,0,0,1|1,0,1]=4 3325 B12R1.226 C=C(F)COc1cccc(c1)Br 7a_100000210342_100000042424 [0,1,0,0,0,1|1,0,1]=4 3326 B12R1.226 C=C(F)COc1cccc(c1)C 34a_100000210337_100009893438 [0,1,0,0,0,1|1,0,1]=4 3327 B12R1.226 C=C(F)COc1cccc(c1)C 7a_100000210337_100000042424 [0,1,0,0,0,1|1,0,1]=4 3328 B12R1.226 C=C(F)COc1cccc(c1)Cl 34a_100000210295_100009893438 [0,1,0,0,0,1|1,0,1]=4 3329 B12R1.226 C=C(F)COc1cccc(c1)Cl 7a_100000210295_100000042424 [0,1,0,0,0,1|1,0,1]=4 3330 B12R1.226 C=C(F)COc1cccc(c1)F 34a_100000210426_100009893438 [0,1,0,0,0,1|1,0,1]=4 3331 B12R1.226 C=C(F)COc1cccc(c1)F 7a_100000210426_100000042424 [0,1,0,0,0,1|1,0,1]=4 3332 B12R1.226 C=C(F)COc1cccc(c1)I 34a_100000211634_100009893438 [0,1,0,0,0,1|1,0,1]=4 3333 B12R1.226 C=C(F)COc1cccc(c1)I 7a_100000211634_100000042424 [0,1,0,0,0,1|1,0,1]=4 3334 B12R1.226 C=C(F)COc1cccc(c1)N 34a_100000210217_100009893438 [0,1,0,0,0,1|1,0,1]=4 3335 B12R1.226 CC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266566 [0,1,0,0,0,1|1,0,0]=3 3336 B12R1.226 CC(=O)C#Cc1cccc(c1)Br 1458a_100012100324_200000210301 [0,1,0,0,0,1|1,0,0]=3 3337 B12R1.226 CC(=O)C#Cc1cccc(c1)C 1458a_100011892726_200000210301 [0,1,0,0,0,1|1,0,0]=3 3338 B12R1.226 CC(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_200000210301 [0,1,0,0,0,1|1,0,0]=3 3339 B12R1.226 CC(=O)C#Cc1cccc(c1)F 1458a_100011892744_200000210301 [0,1,0,0,0,1|1,0,0]=3 3340 B12R1.226 CC(=O)C#Cc1cccc(c1)O 1458a_200009909484_200000210301 [0,1,0,0,0,1|1,0,0]=3 3341 B12R1.226 CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200000210301 [0,1,0,0,0,1|1,0,0]=3 3342 B12R1.226 CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_200000210301 [0,1,0,0,0,1|1,0,0]=3 3343 B12R1.226 CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200000210301 [0,1,0,0,0,1|1,0,0]=3 3344 B12R1.226 CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_200000210301 [0,1,0,0,0,1|1,0,0]=3 3345 B12R1.226 CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_200000210301 [0,1,0,0,0,1|1,0,0]=3 3346 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [0,1,0,0,0,1|1,0,0]=3 3347 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [0,1,0,0,0,1|1,0,0]=3 3348 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [0,1,0,0,0,1|1,0,0]=3 3349 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [0,1,0,0,0,1|1,0,0]=3 3350 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [0,1,0,0,0,1|1,0,0]=3 3351 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [0,1,0,0,0,1|1,0,0]=3 3352 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [0,1,0,0,0,1|1,0,0]=3 3353 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [0,1,0,0,0,1|1,0,0]=3 3354 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [0,1,0,0,0,1|1,0,0]=3 3355 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [0,1,0,0,0,1|1,0,0]=3 3356 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [0,1,0,0,0,1|1,0,0]=3 3357 B12R1.226 CC(=O)COc1cccc(c1)Br 1458a_100000182359_200000210301 [0,1,0,0,0,1|0,0,0]=2 3358 B12R1.226 CC(=O)COc1cccc(c1)C 1458a_100000183606_200000210301 [0,1,0,0,0,1|0,0,0]=2 3359 B12R1.226 CC(=O)COc1cccc(c1)Cl 1458a_100000184978_200000210301 [0,1,0,0,0,1|0,0,0]=2 3360 B12R1.226 CC(=O)COc1cccc(c1)F 1458a_100000182781_200000210301 [0,1,0,0,0,1|0,0,0]=2 3361 B12R1.226 CC(=O)CSc1cccc(c1)Br 1458a_100000760868_200000210301 [0,1,0,0,0,1|0,1,0]=3 3362 B12R1.226 CC(=O)NCc1cc(ccn1)Br 11a_100009818019_100015343762 [0,1,0,0,0,1|2,0,0]=4 3363 B12R1.226 CC(=O)NCc1cc(ccn1)Br 1626a_100009818019_100015343762 [0,1,0,0,0,1|2,0,0]=4 3364 B12R1.226 CC(=O)NCc1cc(ccn1)Br 240690a_100009818019_100015343762 [0,1,0,0,0,1|2,0,0]=4 3365 B12R1.226 CC(=O)NCc1cc(ccn1)Br 527a_100009818019_100103153847 [0,1,0,0,0,1|2,0,0]=4 3366 B12R1.226 CC(=O)NCc1cc(ccn1)C 11a_100011934573_100015343762 [0,1,0,0,0,1|2,0,0]=4 3367 B12R1.226 CC(=O)NCc1cc(ccn1)C 1626a_100011934573_100015343762 [0,1,0,0,0,1|2,0,0]=4 3368 B12R1.226 CC(=O)NCc1cc(ccn1)C 240690a_100011934573_100015343762 [0,1,0,0,0,1|2,0,0]=4 3369 B12R1.226 CC(=O)NCc1cc(ccn1)C 527a_100011934573_100103153847 [0,1,0,0,0,1|2,0,0]=4 3370 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 11a_100000085674_100015343762 [0,1,0,0,0,1|2,0,0]=4 3371 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 1626a_100000085674_100015343762 [0,1,0,0,0,1|2,0,0]=4 3372 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 240690a_100000085674_100015343762 [0,1,0,0,0,1|2,0,0]=4 3373 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 527a_100000085674_100103153847 [0,1,0,0,0,1|2,0,0]=4 3374 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 11a_100000696482_100015343762 [0,1,0,0,0,1|2,0,0]=4 3375 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 1626a_100000696482_100015343762 [0,1,0,0,0,1|2,0,0]=4 3376 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 240690a_100000696482_100015343762 [0,1,0,0,0,1|2,0,0]=4 3377 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 527a_100000696482_100103153847 [0,1,0,0,0,1|2,0,0]=4 3378 B12R1.226 CC(=O)NCc1cccc(c1)Br 11a_100000174977_100015343762 [0,1,0,0,0,1|1,0,0]=3 3379 B12R1.226 CC(=O)NCc1cccc(c1)Br 1626a_100000174977_100015343762 [0,1,0,0,0,1|1,0,0]=3 3380 B12R1.226 CC(=O)NCc1cccc(c1)Br 240690a_100000174977_100015343762 [0,1,0,0,0,1|1,0,0]=3 3381 B12R1.226 CC(=O)NCc1cccc(c1)Br 527a_100000174977_100103153847 [0,1,0,0,0,1|1,0,0]=3 3382 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [0,1,0,0,0,1|1,0,0]=3 3383 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [0,1,0,0,0,1|1,0,0]=3 3384 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [0,1,0,0,0,1|1,0,0]=3 3385 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [0,1,0,0,0,1|1,0,0]=3 3386 B12R1.226 CC(=O)NCc1cccc(c1)Cl 11a_100000174878_100015343762 [0,1,0,0,0,1|1,0,0]=3 3387 B12R1.226 CC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100015343762 [0,1,0,0,0,1|1,0,0]=3 3388 B12R1.226 CC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100015343762 [0,1,0,0,0,1|1,0,0]=3 3389 B12R1.226 CC(=O)NCc1cccc(c1)Cl 527a_100000174878_100103153847 [0,1,0,0,0,1|1,0,0]=3 3390 B12R1.226 CC(=O)NCc1cccc(c1)F 11a_100000174948_100015343762 [0,1,0,0,0,1|1,0,0]=3 3391 B12R1.226 CC(=O)NCc1cccc(c1)F 1626a_100000174948_100015343762 [0,1,0,0,0,1|1,0,0]=3 3392 B12R1.226 CC(=O)NCc1cccc(c1)F 240690a_100000174948_100015343762 [0,1,0,0,0,1|1,0,0]=3 3393 B12R1.226 CC(=O)NCc1cccc(c1)F 527a_100000174948_100103153847 [0,1,0,0,0,1|1,0,0]=3 3394 B12R1.226 CC(=O)NCc1cccc(c1)I 11a_100000106179_100015343762 [0,1,0,0,0,1|1,0,0]=3 3395 B12R1.226 CC(=O)NCc1cccc(c1)I 1626a_100000106179_100015343762 [0,1,0,0,0,1|1,0,0]=3 3396 B12R1.226 CC(=O)NCc1cccc(c1)I 240690a_100000106179_100015343762 [0,1,0,0,0,1|1,0,0]=3 3397 B12R1.226 CC(=O)NCc1cccc(c1)I 527a_100000106179_100103153847 [0,1,0,0,0,1|1,0,0]=3 3398 B12R1.226 CC(=O)NCc1cccc(c1)O 240690a_100000743036_100015343762 [0,1,0,0,0,1|1,0,0]=3 3399 B12R1.226 CC(=O)NCc1cccc(c1)O 271570a_203496583355_100000766983 [0,1,0,0,0,1|1,0,0]=3 3400 B12R1.226 CC(=O)NCc1cccc(c1)O 527a_100000743036_100103153847 [0,1,0,0,0,1|1,0,0]=3 3401 B12R1.226 CC(=O)NCc1cccc(n1)Br 11a_100016987751_100015343762 [0,1,0,0,0,1|2,0,0]=4 3402 B12R1.226 CC(=O)NCc1cccc(n1)Br 1626a_100016987751_100015343762 [0,1,0,0,0,1|2,0,0]=4 3403 B12R1.226 CC(=O)NCc1cccc(n1)Br 240690a_100016987751_100015343762 [0,1,0,0,0,1|2,0,0]=4 3404 B12R1.226 CC(=O)NCc1cccc(n1)Br 527a_100016987751_100103153847 [0,1,0,0,0,1|2,0,0]=4 3405 B12R1.226 CC(=O)NCc1cccc(n1)C 11a_100000701342_100015343762 [0,1,0,0,0,1|2,0,0]=4 3406 B12R1.226 CC(=O)NCc1cccc(n1)C 1626a_100000701342_100015343762 [0,1,0,0,0,1|2,0,0]=4 3407 B12R1.226 CC(=O)NCc1cccc(n1)C 240690a_100000701342_100015343762 [0,1,0,0,0,1|2,0,0]=4 3408 B12R1.226 CC(=O)NCc1cccc(n1)C 527a_100000701342_100103153847 [0,1,0,0,0,1|2,0,0]=4 3409 B12R1.226 CC(=O)NCc1cccc(n1)Cl 11a_100016990191_100015343762 [0,1,0,0,0,1|2,0,0]=4 3410 B12R1.226 CC(=O)NCc1cccc(n1)Cl 1626a_100016990191_100015343762 [0,1,0,0,0,1|2,0,0]=4 3411 B12R1.226 CC(=O)NCc1cccc(n1)Cl 240690a_100016990191_100015343762 [0,1,0,0,0,1|2,0,0]=4 3412 B12R1.226 CC(=O)NCc1cccc(n1)Cl 527a_100016990191_100103153847 [0,1,0,0,0,1|2,0,0]=4 3413 B12R1.226 CC(=O)NCc1cccc(n1)F 11a_100015188798_100015343762 [0,1,0,0,0,1|2,0,0]=4 3414 B12R1.226 CC(=O)NCc1cccc(n1)F 1626a_100015188798_100015343762 [0,1,0,0,0,1|2,0,0]=4 3415 B12R1.226 CC(=O)NCc1cccc(n1)F 240690a_100015188798_100015343762 [0,1,0,0,0,1|2,0,0]=4 3416 B12R1.226 CC(=O)NCc1cccc(n1)F 527a_100015188798_100103153847 [0,1,0,0,0,1|2,0,0]=4 3417 B12R1.226 CC(=O)NCc1ccnc(c1)Br 11a_100025757509_100015343762 [0,1,0,0,0,1|2,0,0]=4 3418 B12R1.226 CC(=O)NCc1ccnc(c1)Br 240690a_100025757509_100015343762 [0,1,0,0,0,1|2,0,0]=4 3419 B12R1.226 CC(=O)NCc1ccnc(c1)Br 527a_100025757509_100103153847 [0,1,0,0,0,1|2,0,0]=4 3420 B12R1.226 CC(=O)NCc1ccnc(c1)C 11a_100011934566_100015343762 [0,1,0,0,0,1|2,0,0]=4 3421 B12R1.226 CC(=O)NCc1ccnc(c1)C 1626a_100011934566_100015343762 [0,1,0,0,0,1|2,0,0]=4 3422 B12R1.226 CC(=O)NCc1ccnc(c1)C 240690a_100011934566_100015343762 [0,1,0,0,0,1|2,0,0]=4 3423 B12R1.226 CC(=O)NCc1ccnc(c1)C 527a_100011934566_100103153847 [0,1,0,0,0,1|2,0,0]=4 3424 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 11a_100015205668_100015343762 [0,1,0,0,0,1|2,0,0]=4 3425 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 1626a_100015205668_100015343762 [0,1,0,0,0,1|2,0,0]=4 3426 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 240690a_100015205668_100015343762 [0,1,0,0,0,1|2,0,0]=4 3427 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 527a_100015205668_100103153847 [0,1,0,0,0,1|2,0,0]=4 3428 B12R1.226 CC(=O)NCc1ccnc(c1)F 11a_100015188774_100015343762 [0,1,0,0,0,1|2,0,0]=4 3429 B12R1.226 CC(=O)NCc1ccnc(c1)F 1626a_100015188774_100015343762 [0,1,0,0,0,1|2,0,0]=4 3430 B12R1.226 CC(=O)NCc1ccnc(c1)F 240690a_100015188774_100015343762 [0,1,0,0,0,1|2,0,0]=4 3431 B12R1.226 CC(=O)NCc1ccnc(c1)F 527a_100015188774_100103153847 [0,1,0,0,0,1|2,0,0]=4 3432 B12R1.226 CC(=O)NCc1ccnc(c1)O 11a_100000748557_100015343762 [0,1,0,0,0,1|2,0,0]=4 3433 B12R1.226 CC(=O)NCc1ccnc(c1)O 240690a_100000748557_100015343762 [0,1,0,0,0,1|2,0,0]=4 3434 B12R1.226 CC(=O)NCc1ccnc(c1)O 527a_100000748557_100103153847 [0,1,0,0,0,1|2,0,0]=4 3435 B12R1.226 CC(=O)NCc1cncc(c1)Br 11a_100011249555_100015343762 [0,1,0,0,0,1|2,0,0]=4 3436 B12R1.226 CC(=O)NCc1cncc(c1)Br 240690a_100011249555_100015343762 [0,1,0,0,0,1|2,0,0]=4 3437 B12R1.226 CC(=O)NCc1cncc(c1)Br 527a_100011249555_100103153847 [0,1,0,0,0,1|2,0,0]=4 3438 B12R1.226 CC(=O)NCc1cncc(c1)C 11a_100000692839_100015343762 [0,1,0,0,0,1|2,0,0]=4 3439 B12R1.226 CC(=O)NCc1cncc(c1)C 1626a_100000692839_100015343762 [0,1,0,0,0,1|2,0,0]=4 3440 B12R1.226 CC(=O)NCc1cncc(c1)C 240690a_100000692839_100015343762 [0,1,0,0,0,1|2,0,0]=4 3441 B12R1.226 CC(=O)NCc1cncc(c1)C 527a_100000692839_100103153847 [0,1,0,0,0,1|2,0,0]=4 3442 B12R1.226 CC(=O)NCc1cncc(c1)Cl 11a_200020614424_100015343762 [0,1,0,0,0,1|2,0,0]=4 3443 B12R1.226 CC(=O)NCc1cncc(c1)Cl 1626a_200020614424_100015343762 [0,1,0,0,0,1|2,0,0]=4 3444 B12R1.226 CC(=O)NCc1cncc(c1)Cl 240690a_200020614424_100015343762 [0,1,0,0,0,1|2,0,0]=4 3445 B12R1.226 CC(=O)NCc1cncc(c1)Cl 527a_200020614424_100103153847 [0,1,0,0,0,1|2,0,0]=4 3446 B12R1.226 CC(=O)NCc1cncc(c1)F 11a_100011962886_100015343762 [0,1,0,0,0,1|2,0,0]=4 3447 B12R1.226 CC(=O)NCc1cncc(c1)F 1626a_100011962886_100015343762 [0,1,0,0,0,1|2,0,0]=4 3448 B12R1.226 CC(=O)NCc1cncc(c1)F 240690a_100011962886_100015343762 [0,1,0,0,0,1|2,0,0]=4 3449 B12R1.226 CC(=O)NCc1cncc(c1)F 527a_100011962886_100103153847 [0,1,0,0,0,1|2,0,0]=4 3450 B12R1.226 CC(=O)NNc1cc(ccn1)Br 22a_100000764631_100000070787 [0,1,0,0,0,1|2,0,0]=4 3451 B12R1.226 CC(=O)NNc1cc(ccn1)C 22a_100000746014_100000070787 [0,1,0,0,0,1|2,0,0]=4 3452 B12R1.226 CC(=O)NNc1cc(ccn1)Cl 22a_100102524961_100000070787 [0,1,0,0,0,1|2,0,0]=4 3453 B12R1.226 CC(=O)NNc1cc(ccn1)I 22a_100010221011_100000070787 [0,1,0,0,0,1|2,0,0]=4 3454 B12R1.226 CC(=O)NNc1cc[nH]c(=O)c1 22a_100000120847_100000070787 [0,1,0,0,0,1|2,0,0]=4 3455 B12R1.226 CC(=O)NNc1cccc(c1)Br 22a_100000217339_100000070787 [0,1,0,0,0,1|1,0,0]=3 3456 B12R1.226 CC(=O)NNc1cccc(c1)C 22a_100000681630_100000070787 [0,1,0,0,0,1|1,0,0]=3 3457 B12R1.226 CC(=O)NNc1cccc(c1)Cl 22a_100000184277_100000070787 [0,1,0,0,0,1|1,0,0]=3 3458 B12R1.226 CC(=O)NNc1cccc(c1)F 22a_100000745080_100000070787 [0,1,0,0,0,1|1,0,0]=3 3459 B12R1.226 CC(=O)NNc1cccc(c1)I 22a_100020605690_100000070787 [0,1,0,0,0,1|1,0,0]=3 3460 B12R1.226 CC(=O)NNc1cccc(n1)Br 22a_100009817029_100000070787 [0,1,0,0,0,1|2,0,0]=4 3461 B12R1.226 CC(=O)NNc1cccc(n1)C 22a_100011363444_100000070787 [0,1,0,0,0,1|2,0,0]=4 3462 B12R1.226 CC(=O)NNc1cccc(n1)Cl 22a_100102524919_100000070787 [0,1,0,0,0,1|2,0,0]=4 3463 B12R1.226 CC(=O)NNc1cccc(n1)F 22a_100000075452_100000070787 [0,1,0,0,0,1|2,0,0]=4 3464 B12R1.226 CC(=O)NNc1cccc(n1)O 271570a_203496583355_200000079166 [0,1,0,0,0,1|2,0,0]=4 3465 B12R1.226 CC(=O)NNc1cncc(c1)Br 22a_100000727789_100000070787 [0,1,0,0,0,1|2,0,0]=4 3466 B12R1.226 CC(=O)NNc1cncc(c1)F 22a_200011955905_100000070787 [0,1,0,0,0,1|2,0,0]=4 3467 B12R1.226 CC(C)COc1cccc(c1)Br 34a_100000210342_100000210624 [0,1,0,0,0,1|1,0,1]=4 3468 B12R1.226 CC(C)COc1cccc(c1)Br 7a_100000210342_100000210760 [0,1,0,0,0,1|1,0,1]=4 3469 B12R1.226 CC(C)COc1cccc(c1)Cl 34a_100000210295_100000210624 [0,1,0,0,0,1|1,0,1]=4 3470 B12R1.226 CC(C)COc1cccc(c1)Cl 7a_100000210295_100000210760 [0,1,0,0,0,1|1,0,1]=4 3471 B12R1.226 CC(C)COc1cccc(c1)F 34a_100000210426_100000210624 [0,1,0,0,0,1|1,0,1]=4 3472 B12R1.226 CC(C)COc1cccc(c1)F 7a_100000210426_100000210760 [0,1,0,0,0,1|1,0,1]=4 3473 B12R1.226 CC(C)COc1cccc(c1)I 34a_100000211634_100000210624 [0,1,0,0,0,1|1,0,1]=4 3474 B12R1.226 CC(C)COc1cccc(c1)I 7a_100000211634_100000210760 [0,1,0,0,0,1|1,0,1]=4 3475 B12R1.226 CC(C)COc1cccc(c1)N 34a_100000210217_100000210624 [0,1,0,0,0,1|1,0,1]=4 3476 B12R1.226 CC(C)COc1cccc(c1)O 271570a_203496583355_200000170005 [0,1,0,0,0,1|1,0,1]=4 3477 B12R1.226 CC(C)OCc1cccc(c1)Br 34a_100000212225_100000698116 [0,1,0,0,0,1|1,0,1]=4 3478 B12R1.226 CC(C)OCc1cccc(c1)Br 34a_100000687537_100000210206 [0,1,0,0,0,1|1,0,1]=4 3479 B12R1.226 CC(C)OCc1cccc(c1)Br 7a_100000687537_100000210206 [0,1,0,0,0,1|1,0,1]=4 3480 B12R1.226 CC(C)OCc1cccc(c1)Cl 34a_100000212225_100000187163 [0,1,0,0,0,1|1,0,1]=4 3481 B12R1.226 CC(C)OCc1cccc(c1)Cl 34a_100000241301_100000210206 [0,1,0,0,0,1|1,0,1]=4 3482 B12R1.226 CC(C)OCc1cccc(c1)Cl 7a_100000241301_100000210206 [0,1,0,0,0,1|1,0,1]=4 3483 B12R1.226 CC(C)OCc1cccc(c1)F 34a_100000210976_100000210206 [0,1,0,0,0,1|1,0,1]=4 3484 B12R1.226 CC(C)OCc1cccc(c1)F 34a_100000212225_100000187166 [0,1,0,0,0,1|1,0,1]=4 3485 B12R1.226 CC(C)OCc1cccc(c1)F 7a_100000210976_100000210206 [0,1,0,0,0,1|1,0,1]=4 3486 B12R1.226 CC(C)OCc1cccc(c1)I 34a_100000212225_100011218688 [0,1,0,0,0,1|1,0,1]=4 3487 B12R1.226 CC(C)OCc1cccc(c1)I 34a_100011215336_100000210206 [0,1,0,0,0,1|1,0,1]=4 3488 B12R1.226 CC(C)OCc1cccc(c1)I 7a_100011215336_100000210206 [0,1,0,0,0,1|1,0,1]=4 3489 B12R1.226 CC(C)OCc1cccc(c1)N 34a_100000211919_100000210206 [0,1,0,0,0,1|1,0,1]=4 3490 B12R1.226 CC(C)OCc1cccc(c1)O 34a_100000212225_100011660834 [0,1,0,0,0,1|1,0,1]=4 3491 B12R1.226 CC(O)COc1cccc(c1)Br 34a_100000210342_100011218427 [0,1,0,0,0,1|0,0,2]=4 3492 B12R1.226 CC(O)COc1cccc(c1)Br 7a_100000210342_100011218427 [0,1,0,0,0,1|0,0,2]=4 3493 B12R1.226 CC(O)COc1cccc(c1)Cl 34a_100000210295_100011218427 [0,1,0,0,0,1|0,0,2]=4 3494 B12R1.226 CC(O)COc1cccc(c1)Cl 7a_100000210295_100011218427 [0,1,0,0,0,1|0,0,2]=4 3495 B12R1.226 CC(O)COc1cccc(c1)F 34a_100000210426_100011218427 [0,1,0,0,0,1|0,0,2]=4 3496 B12R1.226 CC(O)COc1cccc(c1)F 7a_100000210426_100011218427 [0,1,0,0,0,1|0,0,2]=4 3497 B12R1.226 CC(O)COc1cccc(c1)I 34a_100000211634_100011218427 [0,1,0,0,0,1|0,0,2]=4 3498 B12R1.226 CC(O)COc1cccc(c1)I 7a_100000211634_100011218427 [0,1,0,0,0,1|0,0,2]=4 3499 B12R1.226 CC(O)COc1cccc(c1)N 34a_100000210217_100011218427 [0,1,0,0,0,1|0,0,2]=4 3500 B12R1.226 C[C@@H](O)COc1cccc(c1)Br 34a_100000210342_100009817552 [0,1,0,0,0,1|0,0,2]=4 3501 B12R1.226 C[C@@H](O)COc1cccc(c1)Br 7a_100000210342_100009817552 [0,1,0,0,0,1|0,0,2]=4 3502 B12R1.226 C[C@@H](O)COc1cccc(c1)Cl 34a_100000210295_100009817552 [0,1,0,0,0,1|0,0,2]=4 3503 B12R1.226 C[C@@H](O)COc1cccc(c1)Cl 7a_100000210295_100009817552 [0,1,0,0,0,1|0,0,2]=4 3504 B12R1.226 C[C@@H](O)COc1cccc(c1)F 34a_100000210426_100009817552 [0,1,0,0,0,1|0,0,2]=4 3505 B12R1.226 C[C@@H](O)COc1cccc(c1)F 7a_100000210426_100009817552 [0,1,0,0,0,1|0,0,2]=4 3506 B12R1.226 C[C@@H](O)COc1cccc(c1)I 34a_100000211634_100009817552 [0,1,0,0,0,1|0,0,2]=4 3507 B12R1.226 C[C@@H](O)COc1cccc(c1)I 7a_100000211634_100009817552 [0,1,0,0,0,1|0,0,2]=4 3508 B12R1.226 C[C@@H](O)COc1cccc(c1)N 34a_100000210217_100009817552 [0,1,0,0,0,1|0,0,2]=4 3509 B12R1.226 Cc1cc(ccn1)OCC(=O)N 34a_100000688365_100000187820 [0,1,0,0,0,1|2,0,0]=4 3510 B12R1.226 Cc1cc(ccn1)OCC(=O)[O-] 34a_100000688365_100020667443 [0,1,0,0,0,1|2,0,0]=4 3511 B12R1.226 Cc1cccc(c1)C#CC(=O)[13CH3] 1458a_100011892726_200025704644 [0,1,0,0,0,1|1,0,0]=3 3512 B12R1.226 Cc1cccc(c1)C=CC(=O)[13CH3] 1458a_100000690095_200025704644 [0,1,0,0,0,1|1,0,0]=3 3513 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [0,1,0,0,0,1|1,0,0]=3 3514 B12R1.226 Cc1cccc(c1)COC(C)C 34a_100000212225_100000211840 [0,1,0,0,0,1|1,0,1]=4 3515 B12R1.226 Cc1cccc(c1)COC(C)C 34a_100011217746_100000210206 [0,1,0,0,0,1|1,0,1]=4 3516 B12R1.226 Cc1cccc(c1)COC(C)C 7a_100011217746_100000210206 [0,1,0,0,0,1|1,0,1]=4 3517 B12R1.226 Cc1cccc(c1)NCC(=O)N 2230a_100000188690_100000747473 [0,1,0,0,0,1|2,0,0]=4 3518 B12R1.226 Cc1cccc(c1)NCC(=O)N 34a_100000188690_100000187820 [0,1,0,0,0,1|2,0,0]=4 3519 B12R1.226 Cc1cccc(c1)NCC(=O)[O-] 34a_100000188690_100020667443 [0,1,0,0,0,1|2,0,0]=4 3520 B12R1.226 Cc1cccc(c1)OCC(=O)N 34a_100000210337_100000187820 [0,1,0,0,0,1|1,0,0]=3 3521 B12R1.226 Cc1cccc(c1)OCC(=O)N 7a_100000210337_100000187820 [0,1,0,0,0,1|1,0,0]=3 3522 B12R1.226 Cc1cccc(c1)OCC(=O)[13CH3] 1458a_100000183606_200025704644 [0,1,0,0,0,1|0,0,0]=2 3523 B12R1.226 Cc1cccc(c1)OCC(=O)[O-] 34a_100000210337_100020667443 [0,1,0,0,0,1|1,0,0]=3 3524 B12R1.226 Cc1cccc(c1)OCC(C)C 34a_100000210337_100000210624 [0,1,0,0,0,1|1,0,1]=4 3525 B12R1.226 Cc1cccc(c1)OCC(C)C 7a_100000210337_100000210760 [0,1,0,0,0,1|1,0,1]=4 3526 B12R1.226 Cc1cccc(c1)OCC(C)O 34a_100000210337_100011218427 [0,1,0,0,0,1|0,0,2]=4 3527 B12R1.226 Cc1cccc(c1)OCC(C)O 7a_100000210337_100011218427 [0,1,0,0,0,1|0,0,2]=4 3528 B12R1.226 Cc1cccc(c1)OC[C@@H](C)O 34a_100000210337_100009817552 [0,1,0,0,0,1|0,0,2]=4 3529 B12R1.226 Cc1cccc(c1)OC[C@@H](C)O 7a_100000210337_100009817552 [0,1,0,0,0,1|0,0,2]=4 3530 B12R1.226 Cc1cccc(c1)OC[N+](=O)[O-] 34a_100000210337_100000761209 [0,1,0,0,0,1|2,0,0]=4 3531 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100000747473_100011215228 [0,1,0,0,0,1|1,1,0]=4 3532 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100011215228_100000747473 [0,1,0,0,0,1|1,1,0]=4 3533 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100011215228_100020667443 [0,1,0,0,0,1|1,1,0]=4 3534 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011215228 [0,1,0,0,0,1|1,1,0]=4 3535 B12R1.226 Cc1cncc(c1)OCC(=O)N 34a_100011830280_100000187820 [0,1,0,0,0,1|2,0,0]=4 3536 B12R1.226 Cc1cncc(c1)OCC(=O)N 7a_100011830280_100000187820 [0,1,0,0,0,1|2,0,0]=4 3537 B12R1.226 Cc1cncc(c1)OCC(=O)[O-] 34a_100011830280_100020667443 [0,1,0,0,0,1|2,0,0]=4 3538 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [0,1,0,0,0,1|2,0,0]=4 3539 B12R1.226 NC(=O)CNc1cccc(c1)Br 34a_100000210019_100000187820 [0,1,0,0,0,1|2,0,0]=4 3540 B12R1.226 NC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000187820 [0,1,0,0,0,1|2,0,0]=4 3541 B12R1.226 NC(=O)CNc1cccc(c1)F 34a_100000210047_100000187820 [0,1,0,0,0,1|2,0,0]=4 3542 B12R1.226 NC(=O)CNc1cccc(c1)I 34a_100000211102_100000187820 [0,1,0,0,0,1|2,0,0]=4 3543 B12R1.226 NC(=O)CNc1cccc(c1)O 34a_100000210217_100000187820 [0,1,0,0,0,1|2,0,0]=4 3544 B12R1.226 NC(=O)COc1cc[nH]c(=O)c1 34a_100000032262_100000187820 [0,1,0,0,0,1|2,0,0]=4 3545 B12R1.226 NC(=O)COc1ccc[n+](c1)[O-] 34a_100000039713_100000187820 [0,1,0,0,0,1|2,0,0]=4 3546 B12R1.226 NC(=O)COc1ccc[n+](c1)[O-] 7a_100000039713_100000187820 [0,1,0,0,0,1|2,0,0]=4 3547 B12R1.226 NC(=O)COc1cccc(=O)[nH]1 34a_100000033347_100000187820 [0,1,0,0,0,1|2,0,0]=4 3548 B12R1.226 NC(=O)COc1cccc(c1)Br 34a_100000210342_100000187820 [0,1,0,0,0,1|1,0,0]=3 3549 B12R1.226 NC(=O)COc1cccc(c1)Br 7a_100000210342_100000187820 [0,1,0,0,0,1|1,0,0]=3 3550 B12R1.226 NC(=O)COc1cccc(c1)Cl 34a_100000210295_100000187820 [0,1,0,0,0,1|1,0,0]=3 3551 B12R1.226 NC(=O)COc1cccc(c1)Cl 7a_100000210295_100000187820 [0,1,0,0,0,1|1,0,0]=3 3552 B12R1.226 NC(=O)COc1cccc(c1)F 34a_100000210426_100000187820 [0,1,0,0,0,1|1,0,0]=3 3553 B12R1.226 NC(=O)COc1cccc(c1)F 7a_100000210426_100000187820 [0,1,0,0,0,1|1,0,0]=3 3554 B12R1.226 NC(=O)COc1cccc(c1)I 34a_100000211634_100000187820 [0,1,0,0,0,1|1,0,0]=3 3555 B12R1.226 NC(=O)COc1cccc(c1)I 7a_100000211634_100000187820 [0,1,0,0,0,1|1,0,0]=3 3556 B12R1.226 NC(=O)COc1cccc(c1)N 34a_100000210217_100000187820 [0,1,0,0,0,1|1,0,0]=3 3557 B12R1.226 NC(=O)COc1cccc(c1)O 271570a_203496583355_200000150604 [0,1,0,0,0,1|1,0,0]=3 3558 B12R1.226 NC(=O)COc1cccc(n1)F 34a_100011432558_100000187820 [0,1,0,0,0,1|2,0,0]=4 3559 B12R1.226 NC(=O)COc1ccnc(c1)Cl 34a_100000762945_100000187820 [0,1,0,0,0,1|2,0,0]=4 3560 B12R1.226 NC(=O)COc1ccnc(c1)F 34a_100000732698_100000187820 [0,1,0,0,0,1|2,0,0]=4 3561 B12R1.226 NC(=O)COc1ccnc(c1)N 34a_100011834064_100000187820 [0,1,0,0,0,1|2,0,0]=4 3562 B12R1.226 NC(=O)COc1cncc(c1)Br 34a_100000754920_100000187820 [0,1,0,0,0,1|2,0,0]=4 3563 B12R1.226 NC(=O)COc1cncc(c1)Br 7a_100000754920_100000187820 [0,1,0,0,0,1|2,0,0]=4 3564 B12R1.226 NC(=O)COc1cncc(c1)Cl 7a_100000032511_100000187820 [0,1,0,0,0,1|2,0,0]=4 3565 B12R1.226 NC(=O)COc1cncc(c1)F 34a_100011830296_100000187820 [0,1,0,0,0,1|2,0,0]=4 3566 B12R1.226 NC(=O)COc1cncc(c1)F 7a_100011830296_100000187820 [0,1,0,0,0,1|2,0,0]=4 3567 B12R1.226 NC(=O)COc1cncc(c1)N 34a_100011997051_100000187820 [0,1,0,0,0,1|2,0,0]=4 3568 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747473 [0,1,0,0,0,1|1,1,0]=4 3569 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000747473_100000691529 [0,1,0,0,0,1|1,1,0]=4 3570 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747473 [0,1,0,0,0,1|1,1,0]=4 3571 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000747473_100000699651 [0,1,0,0,0,1|1,1,0]=4 3572 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000685547_100000747473 [0,1,0,0,0,1|1,1,0]=4 3573 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000747473_100000685547 [0,1,0,0,0,1|1,1,0]=4 3574 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000210019_100000747473 [0,1,0,0,0,1|1,1,0]=4 3575 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000747473_100000210019 [0,1,0,0,0,1|1,1,0]=4 3576 B12R1.226 NC(=O)CSc1cccc(c1)O 62a_100000747473_100000211634 [0,1,0,0,0,1|1,1,0]=4 3577 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_100000747473_114929384022 [0,1,0,0,0,1|1,1,0]=4 3578 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747473 [0,1,0,0,0,1|1,1,0]=4 3579 B12R1.226 Nc1cc(ccn1)OCC(=O)[O-] 34a_100011834064_100020667443 [0,1,0,0,0,1|2,0,0]=4 3580 B12R1.226 Nc1cccc(c1)OCC(=O)[O-] 34a_100000210217_100020667443 [0,1,0,0,0,1|1,0,0]=3 3581 B12R1.226 Nc1cccc(c1)OC[N+](=O)[O-] 34a_100000210217_100000761209 [0,1,0,0,0,1|2,0,0]=4 3582 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100000210019_100020667443 [0,1,0,0,0,1|1,1,0]=4 3583 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000210019 [0,1,0,0,0,1|1,1,0]=4 3584 B12R1.226 Nc1cncc(c1)OCC(=O)[O-] 34a_100011997051_100020667443 [0,1,0,0,0,1|2,0,0]=4 3585 B12R1.226 O=C([O-])CNc1cccc(c1)Br 34a_100000210019_100020667443 [0,1,0,0,0,1|2,0,0]=4 3586 B12R1.226 O=C([O-])CNc1cccc(c1)Cl 34a_100000185859_100020667443 [0,1,0,0,0,1|2,0,0]=4 3587 B12R1.226 O=C([O-])CNc1cccc(c1)F 34a_100000210047_100020667443 [0,1,0,0,0,1|2,0,0]=4 3588 B12R1.226 O=C([O-])CNc1cccc(c1)I 34a_100000211102_100020667443 [0,1,0,0,0,1|2,0,0]=4 3589 B12R1.226 O=C([O-])CNc1cccc(c1)O 34a_100000210217_100020667443 [0,1,0,0,0,1|2,0,0]=4 3590 B12R1.226 O=C([O-])COc1cc[nH]c(=O)c1 34a_100000032262_100020667443 [0,1,0,0,0,1|2,0,0]=4 3591 B12R1.226 O=C([O-])COc1ccc[n+](c1)[O-] 34a_100000039713_100020667443 [0,1,0,0,0,1|2,0,0]=4 3592 B12R1.226 O=C([O-])COc1cccc(=O)[nH]1 34a_100000033347_100020667443 [0,1,0,0,0,1|2,0,0]=4 3593 B12R1.226 O=C([O-])COc1cccc(c1)Br 34a_100000210342_100020667443 [0,1,0,0,0,1|1,0,0]=3 3594 B12R1.226 O=C([O-])COc1cccc(c1)Cl 34a_100000210295_100020667443 [0,1,0,0,0,1|1,0,0]=3 3595 B12R1.226 O=C([O-])COc1cccc(c1)F 34a_100000210426_100020667443 [0,1,0,0,0,1|1,0,0]=3 3596 B12R1.226 O=C([O-])COc1cccc(c1)I 34a_100000211634_100020667443 [0,1,0,0,0,1|1,0,0]=3 3597 B12R1.226 O=C([O-])COc1cccc(n1)F 34a_100011432558_100020667443 [0,1,0,0,0,1|2,0,0]=4 3598 B12R1.226 O=C([O-])COc1ccnc(c1)Cl 34a_100000762945_100020667443 [0,1,0,0,0,1|2,0,0]=4 3599 B12R1.226 O=C([O-])COc1ccnc(c1)F 34a_100000732698_100020667443 [0,1,0,0,0,1|2,0,0]=4 3600 B12R1.226 O=C([O-])COc1cncc(c1)Br 34a_100000754920_100020667443 [0,1,0,0,0,1|2,0,0]=4 3601 B12R1.226 O=C([O-])COc1cncc(c1)F 34a_100011830296_100020667443 [0,1,0,0,0,1|2,0,0]=4 3602 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100000691529_100020667443 [0,1,0,0,0,1|1,1,0]=4 3603 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100020667443_100000691529 [0,1,0,0,0,1|1,1,0]=4 3604 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100000699651_100020667443 [0,1,0,0,0,1|1,1,0]=4 3605 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100020667443_100000699651 [0,1,0,0,0,1|1,1,0]=4 3606 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100000685547_100020667443 [0,1,0,0,0,1|1,1,0]=4 3607 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100020667443_100000685547 [0,1,0,0,0,1|1,1,0]=4 3608 B12R1.226 O=C([O-])CSc1cccc(c1)O 62a_100020667443_100000211634 [0,1,0,0,0,1|1,1,0]=4 3609 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_100020667443_114929384022 [0,1,0,0,0,1|1,1,0]=4 3610 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_114929384022_100020667443 [0,1,0,0,0,1|1,1,0]=4 3611 B12R1.226 O=[N+]([O-])COc1cccc(c1)Br 34a_100000210342_100000761209 [0,1,0,0,0,1|2,0,0]=4 3612 B12R1.226 O=[N+]([O-])COc1cccc(c1)Cl 34a_100000210295_100000761209 [0,1,0,0,0,1|2,0,0]=4 3613 B12R1.226 O=[N+]([O-])COc1cccc(c1)F 34a_100000210426_100000761209 [0,1,0,0,0,1|2,0,0]=4 3614 B12R1.226 O=[N+]([O-])COc1cccc(c1)I 34a_100000211634_100000761209 [0,1,0,0,0,1|2,0,0]=4 3615 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)Br 1458a_100012100324_200025704644 [0,1,0,0,0,1|1,0,0]=3 3616 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_200025704644 [0,1,0,0,0,1|1,0,0]=3 3617 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)F 1458a_100011892744_200025704644 [0,1,0,0,0,1|1,0,0]=3 3618 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)O 1458a_200009909484_200025704644 [0,1,0,0,0,1|1,0,0]=3 3619 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200025704644 [0,1,0,0,0,1|1,0,0]=3 3620 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200025704644 [0,1,0,0,0,1|1,0,0]=3 3621 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)F 1458a_100000718793_200025704644 [0,1,0,0,0,1|1,0,0]=3 3622 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)I 1458a_100020647043_200025704644 [0,1,0,0,0,1|1,0,0]=3 3623 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [0,1,0,0,0,1|1,0,0]=3 3624 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [0,1,0,0,0,1|1,0,0]=3 3625 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [0,1,0,0,0,1|1,0,0]=3 3626 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [0,1,0,0,0,1|1,0,0]=3 3627 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [0,1,0,0,0,1|1,0,0]=3 3628 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Br 1458a_100000182359_200025704644 [0,1,0,0,0,1|0,0,0]=2 3629 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Cl 1458a_100000184978_200025704644 [0,1,0,0,0,1|0,0,0]=2 3630 B12R1.226 [13CH3]C(=O)COc1cccc(c1)F 1458a_100000182781_200025704644 [0,1,0,0,0,1|0,0,0]=2 3631 B12R1.226 [13CH3]C(=O)CSc1cccc(c1)Br 1458a_100000760868_200025704644 [0,1,0,0,0,1|0,1,0]=3 3632 B12R1.891 CC(C)(C)COc1ccccc1 34a_100000210340_100011219605 [0,1,0,0,0,1|1,0,1]=4 3633 B12R1.891 CC(C)(C)OCc1ccccc1 34a_100000210790_100000210625 [0,1,0,0,0,1|1,0,1]=4 3634 B12R1.891 CC(C)(C)OCc1ccccc1 34a_100015890283_100015291786 [0,1,0,0,0,1|1,0,1]=4 3635 B12R1.891 CC(C)(C)OCc1ccccc1 7a_100015890283_100000211182 [0,1,0,0,0,1|1,0,1]=4 3636 B12R1.891 CC(C)(F)COc1ccccc1 34a_100000210340_100011997219 [0,1,0,0,0,1|1,0,1]=4 3637 B12R1.891 CC(C)(O)COc1ccccc1 34a_100000210340_100000764493 [0,1,0,0,0,1|0,0,2]=4 3638 B12R1.891 CC(C)(O)COc1ccccc1 7a_100000210340_100000764493 [0,1,0,0,0,1|0,0,2]=4 3639 B12R1.891 CS(=O)(=O)NCc1ccccc1 40a_100015324214_100000738038 [0,1,0,0,0,1|2,0,0]=4 3640 B12R1.891 CS(=O)(=O)NNc1ccccc1 40a_100015195140_100000738038 [0,1,0,0,0,1|2,0,0]=4 3641 B12R1.891 C[Si](C)(C)COc1ccccc1 7a_100000210340_100000233785 [0,1,0,0,0,1|1,1,0]=4 3642 B12R1.891 O=S(=O)([O-])COc1ccccc1 34a_100000210340_100009817235 [0,1,0,0,0,1|2,0,0]=4 3643 B12R1.210 CC(C)Oc1cccccc1=O 34a_100000036025_100000210206 [0,1,0,0,0,1|1,0,1]=4 3644 B12R1.210 CC(C)Oc1cccccc1=O 7a_100000036025_100000210206 [0,1,0,0,0,1|1,0,1]=4 3645 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000140223 [0,2,0,0,0,0|1,0,0]=3 3646 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_200009884166_200000210301 [0,2,0,0,0,0|1,0,0]=3 3647 B12R1.4 C#Cc1ccc(cc1)CC(=O)[13CH3] 1458a_200009884166_200025704644 [0,2,0,0,0,0|1,0,0]=3 3648 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 11a_100011215031_100015343762 [0,2,0,0,0,0|1,0,0]=3 3649 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 1626a_100011215031_100015343762 [0,2,0,0,0,0|1,0,0]=3 3650 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 22a_100011215031_100000070787 [0,2,0,0,0,0|1,0,0]=3 3651 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 527a_100011215031_100103153847 [0,2,0,0,0,0|1,0,0]=3 3652 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000034074 [0,2,0,0,0,0|1,0,0]=3 3653 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 271570a_100011290941_100000691760 [0,2,0,0,0,0|1,0,0]=3 3654 B12R1.4 C=Cc1ccc(cc1)CC(=O)N 271570a_100011290941_100000162331 [0,2,0,0,0,0|2,0,0]=4 3655 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 11a_100011218248_100015343762 [0,2,0,0,0,0|1,0,0]=3 3656 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 1626a_100011218248_100015343762 [0,2,0,0,0,0|1,0,0]=3 3657 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 22a_100011218248_100000070787 [0,2,0,0,0,0|1,0,0]=3 3658 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 271570a_100011290941_100000155215 [0,2,0,0,0,0|1,0,0]=3 3659 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 527a_100011218248_100103153847 [0,2,0,0,0,0|1,0,0]=3 3660 B12R1.4 C=Cc1ccc(cc1)NC(=O)N 271570a_100011290941_100000198584 [0,2,0,0,0,0|2,0,0]=4 3661 B12R1.4 C=Cc1ccc(cc1)OC(=O)C 271570a_100011290941_100000002173 [0,2,0,0,0,0|0,0,0]=2 3662 B12R1.4 C=Cc1ccc(cc1)OC(=S)C 271570a_100011290941_200009816735 [0,2,0,0,0,0|0,1,0]=3 3663 B12R1.4 C=Cc1ccc(cc1)OC(C)C 271570a_100011290941_100000169947 [0,2,0,0,0,0|1,0,1]=4 3664 B12R1.4 C=Cc1ccc(cc1)OC(C)C 34a_100000189437_100000210206 [0,2,0,0,0,0|1,0,1]=4 3665 B12R1.4 C=Cc1ccc(cc1)OC(C)C 7a_100000189437_100000210206 [0,2,0,0,0,0|1,0,1]=4 3666 B12R1.4 C=Cc1ccc(cc1)SC(=O)C 271570a_100011290941_200009995050 [0,2,0,0,0,0|0,1,0]=3 3667 B12R1.4 C=Cc1ccc(cn1)NC(=O)C 271570a_100011290941_100011934715 [0,2,0,0,0,0|2,0,0]=4 3668 B12R1.4 C=Cc1ccc(nc1)NC(=O)C 271570a_100011290941_100000193312 [0,2,0,0,0,0|2,0,0]=4 3669 B12R1.4 CC(=Cc1ccc(cc1)C#N)C 271570a_100102525489_100000179745 [0,2,0,0,0,0|2,0,0]=4 3670 B12R1.4 CC(=Cc1ccc(cc1)C=O)C 271570a_100102525489_100000186029 [0,2,0,0,0,0|2,0,0]=4 3671 B12R1.4 CC(=Cc1ccc(cc1)CF)C 271570a_100102525489_100010268989 [0,2,0,0,0,0|2,0,0]=4 3672 B12R1.4 CC(=Cc1ccc(cc1)CN)C 271570a_100102525489_100016989417 [0,2,0,0,0,0|2,0,0]=4 3673 B12R1.4 CC(=Cc1ccc(cc1)CO)C 271570a_100102525489_100000690907 [0,2,0,0,0,0|2,0,0]=4 3674 B12R1.4 CC(=Cc1ccc(cc1)NN)C 271570a_100102525489_100016988836 [0,2,0,0,0,0|2,0,0]=4 3675 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000070787_100000184898 [0,2,0,0,0,0|1,0,0]=3 3676 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200000210301 [0,2,0,0,0,0|1,0,0]=3 3677 B12R1.4 CC(=O)Cc1ccc(cc1)C=O 1458a_100000070787_100000075337 [0,2,0,0,0,0|1,0,0]=3 3678 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100000070787_100000067286 [0,2,0,0,0,0|1,0,0]=3 3679 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100011356463_200000210301 [0,2,0,0,0,0|1,0,0]=3 3680 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 34a_100011218180_200025704644 [0,2,0,0,0,0|1,0,0]=3 3681 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 7a_100011218180_200025704644 [0,2,0,0,0,0|1,0,0]=3 3682 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000691760_200025704644 [0,2,0,0,0,0|1,0,0]=3 3683 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000691760 [0,2,0,0,0,0|1,0,0]=3 3684 B12R1.4 CC(=O)Cc1ccc(cn1)C#N 1458a_100000070787_100000693164 [0,2,0,0,0,0|2,0,0]=4 3685 B12R1.4 CC(=O)Cc1ccc(nc1)C#N 1458a_100000070787_100009816919 [0,2,0,0,0,0|2,0,0]=4 3686 B12R1.4 CC(=O)Nc1ccc(cc1)C#N 11a_100000185469_100015343762 [0,2,0,0,0,0|1,0,0]=3 3687 B12R1.4 CC(=O)Nc1ccc(cc1)C#N 1626a_100000185469_100015343762 [0,2,0,0,0,0|1,0,0]=3 3688 B12R1.4 CC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000070787 [0,2,0,0,0,0|1,0,0]=3 3689 B12R1.4 CC(=O)Nc1ccc(cc1)N[13CH3] 34a_100000184111_200025704644 [0,2,0,0,0,0|1,0,0]=3 3690 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100000184395_200025704644 [0,2,0,0,0,0|1,0,0]=3 3691 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 7a_100000184395_200025704644 [0,2,0,0,0,0|1,0,0]=3 3692 B12R1.4 CC(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000155215 [0,2,0,0,0,0|1,0,0]=3 3693 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 34a_200000094647_200025704644 [0,2,0,0,0,0|2,0,0]=4 3694 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 7a_200000094647_200025704644 [0,2,0,0,0,0|2,0,0]=4 3695 B12R1.4 CC(=O)Nc1ccc(cn1)S[13CH3] 62a_200025704644_100000193312 [0,2,0,0,0,0|2,0,0]=4 3696 B12R1.4 CC(=O)Nc1ccc(nc1)S[13CH3] 62a_200025704644_100011934715 [0,2,0,0,0,0|2,0,0]=4 3697 B12R1.4 CC(=O)Oc1ccc(cc1)S[13CH3] 62a_200025704644_100000002173 [0,2,0,0,0,0|0,0,0]=2 3698 B12R1.4 CC(=O)Sc1ccc(cc1)S[13CH3] 62a_200009995050_200025704644 [0,2,0,0,0,0|0,1,0]=3 3699 B12R1.4 CC(=S)Oc1ccc(cc1)S[13CH3] 62a_200025704644_200009816735 [0,2,0,0,0,0|0,1,0]=3 3700 B12R1.4 CC(C)Oc1ccc(cc1)C#N 34a_100000210344_100000210206 [0,2,0,0,0,0|1,0,1]=4 3701 B12R1.4 CC(C)Oc1ccc(cc1)C#N 7a_100000210344_100000210206 [0,2,0,0,0,0|1,0,1]=4 3702 B12R1.4 CC(C)Oc1ccc(cc1)CN 34a_100000185549_100000210206 [0,2,0,0,0,0|1,0,1]=4 3703 B12R1.4 CC(C)Oc1ccc(cc1)CO 34a_100000211755_100000210206 [0,2,0,0,0,0|1,0,1]=4 3704 B12R1.4 CC(C)Oc1ccc(cc1)N[13CH3] 2230a_100011194259_200025704644 [0,2,0,0,0,0|1,0,1]=4 3705 B12R1.4 CC(C)Oc1ccc(cc1)N[13CH3] 34a_100011194259_200025704644 [0,2,0,0,0,0|1,0,1]=4 3706 B12R1.4 CC(C)Oc1ccc(cc1)O[13CH3] 34a_100000757185_200025704644 [0,2,0,0,0,0|1,0,1]=4 3707 B12R1.4 CC(C)Oc1ccc(cc1)O[13CH3] 7a_100000757185_200025704644 [0,2,0,0,0,0|1,0,1]=4 3708 B12R1.4 CC(C)Oc1ccc(cc1)S[13CH3] 62a_100000169947_200025704644 [0,2,0,0,0,0|1,0,1]=4 3709 B12R1.4 CC(C)Oc1ccc(cc1)S[13CH3] 62a_200025704644_100000169947 [0,2,0,0,0,0|1,0,1]=4 3710 B12R1.4 CCc1ccc(cc1)C=C(C)C 271570a_100102525489_100011215824 [0,2,0,0,0,0|2,0,0]=4 3711 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_100000070787_100000747183 [0,2,0,0,0,0|1,0,0]=3 3712 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_200000759805_200000210301 [0,2,0,0,0,0|1,0,0]=3 3713 B12R1.4 CCc1ccc(cc1)CC(=O)[13CH3] 1458a_200000759805_200025704644 [0,2,0,0,0,0|1,0,0]=3 3714 B12R1.4 CCc1ccc(cc1)NC(=O)C 11a_100000211069_100015343762 [0,2,0,0,0,0|1,0,0]=3 3715 B12R1.4 CCc1ccc(cc1)NC(=O)C 1626a_100000211069_100015343762 [0,2,0,0,0,0|1,0,0]=3 3716 B12R1.4 CCc1ccc(cc1)NC(=O)C 22a_100000211069_100000070787 [0,2,0,0,0,0|1,0,0]=3 3717 B12R1.4 CCc1ccc(cc1)NC(=O)C 527a_100000211069_100103153847 [0,2,0,0,0,0|1,0,0]=3 3718 B12R1.4 CCc1ccc(cc1)OC(C)C 34a_100000211359_100000210206 [0,2,0,0,0,0|1,0,1]=4 3719 B12R1.4 CCc1ccc(cc1)OC(C)C 7a_100000211359_100000210206 [0,2,0,0,0,0|1,0,1]=4 3720 B12R1.4 CNc1ccc(cc1)C=C(C)C 271570a_100102525489_100000219623 [0,2,0,0,0,0|2,0,0]=4 3721 B12R1.4 CNc1ccc(cc1)CC(=O)N 2230a_100000738315_200000210301 [0,2,0,0,0,0|2,0,0]=4 3722 B12R1.4 CNc1ccc(cc1)CC(=O)N 34a_100000738315_200000210301 [0,2,0,0,0,0|2,0,0]=4 3723 B12R1.4 CNc1ccc(cc1)NC(=O)C 34a_100000184111_200000210301 [0,2,0,0,0,0|1,0,0]=3 3724 B12R1.4 CNc1ccc(cc1)OC(C)C 2230a_100011194259_200000210301 [0,2,0,0,0,0|1,0,1]=4 3725 B12R1.4 CNc1ccc(cc1)OC(C)C 34a_100000182112_100000210206 [0,2,0,0,0,0|1,0,1]=4 3726 B12R1.4 CNc1ccc(cc1)OC(C)C 34a_100011194259_200000210301 [0,2,0,0,0,0|1,0,1]=4 3727 B12R1.4 COc1ccc(cc1)C=C(C)C 271570a_100102525489_100000171711 [0,2,0,0,0,0|2,0,0]=4 3728 B12R1.4 COc1ccc(cc1)CC(=O)C 1458a_100000210706_200000210301 [0,2,0,0,0,0|1,0,0]=3 3729 B12R1.4 COc1ccc(cc1)CC(=O)C 34a_100011218180_200000210301 [0,2,0,0,0,0|1,0,0]=3 3730 B12R1.4 COc1ccc(cc1)CC(=O)C 7a_100011218180_200000210301 [0,2,0,0,0,0|1,0,0]=3 3731 B12R1.4 COc1ccc(cc1)CC(=O)N 34a_100000020825_200000210301 [0,2,0,0,0,0|2,0,0]=4 3732 B12R1.4 COc1ccc(cc1)CC(=O)[13CH3] 1458a_100000210706_200025704644 [0,2,0,0,0,0|1,0,0]=3 3733 B12R1.4 COc1ccc(cc1)NC(=O)C 11a_100000184247_100015343762 [0,2,0,0,0,0|1,0,0]=3 3734 B12R1.4 COc1ccc(cc1)NC(=O)C 1626a_100000184247_100015343762 [0,2,0,0,0,0|1,0,0]=3 3735 B12R1.4 COc1ccc(cc1)NC(=O)C 22a_100000184247_100000070787 [0,2,0,0,0,0|1,0,0]=3 3736 B12R1.4 COc1ccc(cc1)NC(=O)C 34a_100000184395_200000210301 [0,2,0,0,0,0|1,0,0]=3 3737 B12R1.4 COc1ccc(cc1)NC(=O)C 527a_100000184247_100103153847 [0,2,0,0,0,0|1,0,0]=3 3738 B12R1.4 COc1ccc(cc1)NC(=O)C 7a_100000184395_200000210301 [0,2,0,0,0,0|1,0,0]=3 3739 B12R1.4 COc1ccc(cc1)OC(C)C 34a_100000210503_100000210206 [0,2,0,0,0,0|1,0,1]=4 3740 B12R1.4 COc1ccc(cc1)OC(C)C 34a_100000757185_200000210301 [0,2,0,0,0,0|1,0,1]=4 3741 B12R1.4 COc1ccc(cc1)OC(C)C 7a_100000757185_200000210301 [0,2,0,0,0,0|1,0,1]=4 3742 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100000070787_100020631284 [0,2,0,0,0,0|2,0,0]=4 3743 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100012001117_200000210301 [0,2,0,0,0,0|2,0,0]=4 3744 B12R1.4 COc1ccc(cn1)CC(=O)[13CH3] 1458a_100012001117_200025704644 [0,2,0,0,0,0|2,0,0]=4 3745 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000070787_200000757186 [0,2,0,0,0,0|2,0,0]=4 3746 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000722272_200000210301 [0,2,0,0,0,0|2,0,0]=4 3747 B12R1.4 COc1ccc(nc1)CC(=O)[13CH3] 1458a_100000722272_200025704644 [0,2,0,0,0,0|2,0,0]=4 3748 B12R1.4 COc1ccc(nc1)NC(=O)C 34a_200000094647_200000210301 [0,2,0,0,0,0|2,0,0]=4 3749 B12R1.4 COc1ccc(nc1)NC(=O)C 7a_200000094647_200000210301 [0,2,0,0,0,0|2,0,0]=4 3750 B12R1.4 CSc1ccc(cc1)C=C(C)C 271570a_100102525489_100011263217 [0,2,0,0,0,0|2,0,0]=4 3751 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000070787_100000181263 [0,2,0,0,0,0|1,0,0]=3 3752 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000756958_200000210301 [0,2,0,0,0,0|1,0,0]=3 3753 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_100000691760_200000210301 [0,2,0,0,0,0|1,0,0]=3 3754 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_200000210301_100000691760 [0,2,0,0,0,0|1,0,0]=3 3755 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_100000162331_200000210301 [0,2,0,0,0,0|2,0,0]=4 3756 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_200000210301_100000162331 [0,2,0,0,0,0|2,0,0]=4 3757 B12R1.4 CSc1ccc(cc1)CC(=O)[13CH3] 1458a_100000756958_200025704644 [0,2,0,0,0,0|1,0,0]=3 3758 B12R1.4 CSc1ccc(cc1)NC(=O)C 11a_100000212337_100015343762 [0,2,0,0,0,0|1,0,0]=3 3759 B12R1.4 CSc1ccc(cc1)NC(=O)C 22a_100000212337_100000070787 [0,2,0,0,0,0|1,0,0]=3 3760 B12R1.4 CSc1ccc(cc1)NC(=O)C 527a_100000212337_100103153847 [0,2,0,0,0,0|1,0,0]=3 3761 B12R1.4 CSc1ccc(cc1)NC(=O)C 62a_200000210301_100000155215 [0,2,0,0,0,0|1,0,0]=3 3762 B12R1.4 CSc1ccc(cc1)NC(=O)N 62a_200000210301_100000198584 [0,2,0,0,0,0|2,0,0]=4 3763 B12R1.4 CSc1ccc(cc1)OC(=O)C 62a_200000210301_100000002173 [0,2,0,0,0,0|0,0,0]=2 3764 B12R1.4 CSc1ccc(cc1)OC(=S)C 62a_200000210301_200009816735 [0,2,0,0,0,0|0,1,0]=3 3765 B12R1.4 CSc1ccc(cc1)OC(C)C 34a_100000211864_100000210206 [0,2,0,0,0,0|1,0,1]=4 3766 B12R1.4 CSc1ccc(cc1)OC(C)C 62a_100000169947_200000210301 [0,2,0,0,0,0|1,0,1]=4 3767 B12R1.4 CSc1ccc(cc1)OC(C)C 62a_200000210301_100000169947 [0,2,0,0,0,0|1,0,1]=4 3768 B12R1.4 CSc1ccc(cc1)SC(=O)C 62a_200009995050_200000210301 [0,2,0,0,0,0|0,1,0]=3 3769 B12R1.4 CSc1ccc(cn1)NC(=O)C 62a_200000210301_100011934715 [0,2,0,0,0,0|2,0,0]=4 3770 B12R1.4 CSc1ccc(nc1)NC(=O)C 62a_200000210301_100000193312 [0,2,0,0,0,0|2,0,0]=4 3771 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200025704644 [0,2,0,0,0,0|1,0,0]=3 3772 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)CO 1458a_100011356463_200025704644 [0,2,0,0,0,0|1,0,0]=3 3773 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 2230a_100000738315_200025704644 [0,2,0,0,0,0|2,0,0]=4 3774 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 34a_100000738315_200025704644 [0,2,0,0,0,0|2,0,0]=4 3775 B12R1.4 [13CH3]Oc1ccc(cc1)CC(=O)N 34a_100000020825_200025704644 [0,2,0,0,0,0|2,0,0]=4 3776 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_100000162331_200025704644 [0,2,0,0,0,0|2,0,0]=4 3777 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_200025704644_100000162331 [0,2,0,0,0,0|2,0,0]=4 3778 B12R1.4 [13CH3]Sc1ccc(cc1)NC(=O)N 62a_200025704644_100000198584 [0,2,0,0,0,0|2,0,0]=4 3779 B12R1.19 CC(=Cc1ccc(c(c1)Br)Br)C 271570a_100102525489_100012356285 [0,2,0,0,0,0|2,0,0]=4 3780 B12R1.19 CC(=Cc1ccc(c(c1)Br)C)C 271570a_100102525489_100011847877 [0,2,0,0,0,0|2,0,0]=4 3781 B12R1.19 CC(=Cc1ccc(c(c1)Br)Cl)C 271570a_100102525489_100012353702 [0,2,0,0,0,0|2,0,0]=4 3782 B12R1.19 CC(=Cc1ccc(c(c1)Br)F)C 271570a_100102525489_100012047266 [0,2,0,0,0,0|2,0,0]=4 3783 B12R1.19 CC(=Cc1ccc(c(c1)Br)N)C 271570a_100102525489_100000750455 [0,2,0,0,0,0|2,0,0]=4 3784 B12R1.19 CC(=Cc1ccc(c(c1)Br)O)C 271570a_100102525489_100012361655 [0,2,0,0,0,0|2,0,0]=4 3785 B12R1.19 CC(=Cc1ccc(c(c1)C)Br)C 271570a_100102525489_100009813585 [0,2,0,0,0,0|2,0,0]=4 3786 B12R1.19 CC(=Cc1ccc(c(c1)C)C)C 271570a_100102525489_100011215607 [0,2,0,0,0,0|2,0,0]=4 3787 B12R1.19 CC(=Cc1ccc(c(c1)C)Cl)C 271570a_100102525489_100000049509 [0,2,0,0,0,0|2,0,0]=4 3788 B12R1.19 CC(=Cc1ccc(c(c1)C)F)C 271570a_100102525489_100011218330 [0,2,0,0,0,0|2,0,0]=4 3789 B12R1.19 CC(=Cc1ccc(c(c1)C)N)C 271570a_100102525489_100000211769 [0,2,0,0,0,0|2,0,0]=4 3790 B12R1.19 CC(=Cc1ccc(c(c1)C)O)C 271570a_100102525489_100000186361 [0,2,0,0,0,0|2,0,0]=4 3791 B12R1.19 CC(=Cc1ccc(c(c1)Cl)Br)C 271570a_100102525489_100012047281 [0,2,0,0,0,0|2,0,0]=4 3792 B12R1.19 CC(=Cc1ccc(c(c1)Cl)C)C 271570a_100102525489_100011216363 [0,2,0,0,0,0|2,0,0]=4 3793 B12R1.19 CC(=Cc1ccc(c(c1)Cl)Cl)C 271570a_100102525489_100011214914 [0,2,0,0,0,0|2,0,0]=4 3794 B12R1.19 CC(=Cc1ccc(c(c1)Cl)F)C 271570a_100102525489_100011215976 [0,2,0,0,0,0|2,0,0]=4 3795 B12R1.19 CC(=Cc1ccc(c(c1)Cl)N)C 271570a_100102525489_100011218065 [0,2,0,0,0,0|2,0,0]=4 3796 B12R1.19 CC(=Cc1ccc(c(c1)Cl)O)C 271570a_100102525489_100012360047 [0,2,0,0,0,0|2,0,0]=4 3797 B12R1.19 CC(=Cc1ccc(c(c1)F)Br)C 271570a_100102525489_100000685389 [0,2,0,0,0,0|2,0,0]=4 3798 B12R1.19 CC(=Cc1ccc(c(c1)F)C)C 271570a_100102525489_100000720648 [0,2,0,0,0,0|2,0,0]=4 3799 B12R1.19 CC(=Cc1ccc(c(c1)F)Cl)C 271570a_100102525489_100011216805 [0,2,0,0,0,0|2,0,0]=4 3800 B12R1.19 CC(=Cc1ccc(c(c1)F)F)C 271570a_100102525489_100000750028 [0,2,0,0,0,0|2,0,0]=4 3801 B12R1.19 CC(=Cc1ccc(c(c1)F)N)C 271570a_100102525489_100011215594 [0,2,0,0,0,0|2,0,0]=4 3802 B12R1.19 CC(=Cc1ccc(c(c1)F)O)C 271570a_100102525489_100000185481 [0,2,0,0,0,0|2,0,0]=4 3803 B12R1.19 CC(=Cc1ccc(c(c1)N)Br)C 271570a_100102525489_100000750456 [0,2,0,0,0,0|2,0,0]=4 3804 B12R1.19 CC(=Cc1ccc(c(c1)N)C)C 271570a_100102525489_100000761890 [0,2,0,0,0,0|2,0,0]=4 3805 B12R1.19 CC(=Cc1ccc(c(c1)N)Cl)C 271570a_100102525489_200000761891 [0,2,0,0,0,0|2,0,0]=4 3806 B12R1.19 CC(=Cc1ccc(c(c1)N)F)C 271570a_100102525489_100000740924 [0,2,0,0,0,0|2,0,0]=4 3807 B12R1.19 CC(=Cc1ccc(c(c1)N)N)C 271570a_100102525489_100000741789 [0,2,0,0,0,0|2,0,0]=4 3808 B12R1.19 CC(=Cc1ccc(c(c1)N)O)C 271570a_100102525489_100000752626 [0,2,0,0,0,0|2,0,0]=4 3809 B12R1.19 CC(=Cc1ccc(c(c1)O)Br)C 271570a_100102525489_100012356990 [0,2,0,0,0,0|2,0,0]=4 3810 B12R1.19 CC(=Cc1ccc(c(c1)O)C)C 271570a_100102525489_100000766334 [0,2,0,0,0,0|2,0,0]=4 3811 B12R1.19 CC(=Cc1ccc(c(c1)O)Cl)C 271570a_100102525489_100011356854 [0,2,0,0,0,0|2,0,0]=4 3812 B12R1.19 CC(=Cc1ccc(c(c1)O)F)C 271570a_100102525489_100000686035 [0,2,0,0,0,0|2,0,0]=4 3813 B12R1.19 CC(=Cc1ccc(c(c1)O)N)C 271570a_100102525489_100000739049 [0,2,0,0,0,0|2,0,0]=4 3814 B12R1.19 CC(=Cc1ccc(c(c1)O)O)C 271570a_100102525489_100009813601 [0,2,0,0,0,0|2,0,0]=4 3815 B12R1.19 CC(=O)Cc1cc(=O)c(co1)O 1458a_100000070787_100000010605 [0,2,0,0,0,0|2,0,0]=4 3816 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Br 1458a_100000070787_100012353900 [0,2,0,0,0,0|1,0,0]=3 3817 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000070787_100012232412 [0,2,0,0,0,0|1,0,0]=3 3818 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000709925_200000210301 [0,2,0,0,0,0|1,0,0]=3 3819 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000070787_100012353894 [0,2,0,0,0,0|1,0,0]=3 3820 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200000210301 [0,2,0,0,0,0|1,0,0]=3 3821 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000070787_100011206884 [0,2,0,0,0,0|1,0,0]=3 3822 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200000210301 [0,2,0,0,0,0|1,0,0]=3 3823 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200000210301 [0,2,0,0,0,0|1,0,0]=3 3824 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100000070787_100000727479 [0,2,0,0,0,0|1,0,0]=3 3825 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100012340274_200000210301 [0,2,0,0,0,0|1,0,0]=3 3826 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000070787_100000742320 [0,2,0,0,0,0|1,0,0]=3 3827 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000184070_200000210301 [0,2,0,0,0,0|1,0,0]=3 3828 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000070787_100012184735 [0,2,0,0,0,0|1,0,0]=3 3829 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100000070787_100011216667 [0,2,0,0,0,0|1,0,0]=3 3830 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100011667458_200000210301 [0,2,0,0,0,0|1,0,0]=3 3831 B12R1.19 CC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_200000210301 [0,2,0,0,0,0|1,0,0]=3 3832 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000070787_100012353895 [0,2,0,0,0,0|1,0,0]=3 3833 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200000210301 [0,2,0,0,0,0|1,0,0]=3 3834 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)C 1458a_100000070787_100011823929 [0,2,0,0,0,0|1,0,0]=3 3835 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000070787_100000184707 [0,2,0,0,0,0|1,0,0]=3 3836 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200000210301 [0,2,0,0,0,0|1,0,0]=3 3837 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100000070787_100000717365 [0,2,0,0,0,0|1,0,0]=3 3838 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200000210301 [0,2,0,0,0,0|1,0,0]=3 3839 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)I 1458a_100000070787_100012349665 [0,2,0,0,0,0|1,0,0]=3 3840 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200000210301 [0,2,0,0,0,0|1,0,0]=3 3841 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000070787_100000767054 [0,2,0,0,0,0|1,0,0]=3 3842 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200000210301 [0,2,0,0,0,0|1,0,0]=3 3843 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100000070787_100011217369 [0,2,0,0,0,0|1,0,0]=3 3844 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100011217375_200000210301 [0,2,0,0,0,0|1,0,0]=3 3845 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000070787_100000716492 [0,2,0,0,0,0|1,0,0]=3 3846 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200000210301 [0,2,0,0,0,0|1,0,0]=3 3847 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000070787_100000757363 [0,2,0,0,0,0|1,0,0]=3 3848 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200000210301 [0,2,0,0,0,0|1,0,0]=3 3849 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100000070787_100010149604 [0,2,0,0,0,0|1,0,0]=3 3850 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200000210301 [0,2,0,0,0,0|1,0,0]=3 3851 B12R1.19 CC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200000210301 [0,2,0,0,0,0|1,0,0]=3 3852 B12R1.19 CC(=O)Cc1ccc(c(c1)I)Br 1458a_100000070787_100010146616 [0,2,0,0,0,0|1,0,0]=3 3853 B12R1.19 CC(=O)Cc1ccc(c(c1)I)C 1458a_100000070787_100010206137 [0,2,0,0,0,0|1,0,0]=3 3854 B12R1.19 CC(=O)Cc1ccc(c(c1)I)F 1458a_100000070787_100010188208 [0,2,0,0,0,0|1,0,0]=3 3855 B12R1.19 CC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_200000210301 [0,2,0,0,0,0|1,0,0]=3 3856 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200000210301 [0,2,0,0,0,0|1,0,0]=3 3857 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010141077 [0,2,0,0,0,0|1,0,0]=3 3858 B12R1.19 CC(=O)Cc1cnc(c(c1)Br)F 1458a_100000070787_200010066439 [0,2,0,0,0,0|2,0,0]=4 3859 B12R1.19 CC(=O)Cc1cnc(c(c1)Cl)Cl 1458a_100000070787_100009843750 [0,2,0,0,0,0|2,0,0]=4 3860 B12R1.19 CC(=O)Cc1cnc(c(c1)I)Cl 1458a_100000070787_100011072623 [0,2,0,0,0,0|2,0,0]=4 3861 B12R1.19 CC(=O)Nc1cc(c(cn1)O)C 271570a_203496583355_100011934553 [0,2,0,0,0,0|2,0,0]=4 3862 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 11a_100011306057_100015343762 [0,2,0,0,0,0|1,0,0]=3 3863 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 1626a_100011306057_100015343762 [0,2,0,0,0,0|1,0,0]=3 3864 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 22a_100011306057_100000070787 [0,2,0,0,0,0|1,0,0]=3 3865 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 527a_100011306057_100103153847 [0,2,0,0,0,0|1,0,0]=3 3866 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 11a_100000736455_100015343762 [0,2,0,0,0,0|1,0,0]=3 3867 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 1626a_100000736455_100015343762 [0,2,0,0,0,0|1,0,0]=3 3868 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 22a_100000736455_100000070787 [0,2,0,0,0,0|1,0,0]=3 3869 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 527a_100000736455_100103153847 [0,2,0,0,0,0|1,0,0]=3 3870 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 11a_100000686031_100015343762 [0,2,0,0,0,0|1,0,0]=3 3871 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 1626a_100000686031_100015343762 [0,2,0,0,0,0|1,0,0]=3 3872 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 22a_100000686031_100000070787 [0,2,0,0,0,0|1,0,0]=3 3873 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 527a_100000686031_100103153847 [0,2,0,0,0,0|1,0,0]=3 3874 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 11a_100000760356_100015343762 [0,2,0,0,0,0|1,0,0]=3 3875 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 1626a_100000760356_100015343762 [0,2,0,0,0,0|1,0,0]=3 3876 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 22a_100000760356_100000070787 [0,2,0,0,0,0|1,0,0]=3 3877 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 527a_100000760356_100103153847 [0,2,0,0,0,0|1,0,0]=3 3878 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 11a_100000750458_100015343762 [0,2,0,0,0,0|1,0,0]=3 3879 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 1626a_100000750458_100015343762 [0,2,0,0,0,0|1,0,0]=3 3880 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 22a_100000750458_100000070787 [0,2,0,0,0,0|1,0,0]=3 3881 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 527a_100000750458_100103153847 [0,2,0,0,0,0|1,0,0]=3 3882 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000070787 [0,2,0,0,0,0|1,0,0]=3 3883 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 527a_100011534360_100103153847 [0,2,0,0,0,0|1,0,0]=3 3884 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 11a_100000210723_100015343762 [0,2,0,0,0,0|1,0,0]=3 3885 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 1626a_100000210723_100015343762 [0,2,0,0,0,0|1,0,0]=3 3886 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 22a_100000210723_100000070787 [0,2,0,0,0,0|1,0,0]=3 3887 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 527a_100000210723_100103153847 [0,2,0,0,0,0|1,0,0]=3 3888 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 11a_100000724040_100015343762 [0,2,0,0,0,0|1,0,0]=3 3889 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 1626a_100000724040_100015343762 [0,2,0,0,0,0|1,0,0]=3 3890 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 22a_100000724040_100000070787 [0,2,0,0,0,0|1,0,0]=3 3891 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 527a_100000724040_100103153847 [0,2,0,0,0,0|1,0,0]=3 3892 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 11a_100000187808_100015343762 [0,2,0,0,0,0|1,0,0]=3 3893 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 1626a_100000187808_100015343762 [0,2,0,0,0,0|1,0,0]=3 3894 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 22a_100000187808_100000070787 [0,2,0,0,0,0|1,0,0]=3 3895 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 527a_100000187808_100103153847 [0,2,0,0,0,0|1,0,0]=3 3896 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 11a_100000750164_100015343762 [0,2,0,0,0,0|1,0,0]=3 3897 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 1626a_100000750164_100015343762 [0,2,0,0,0,0|1,0,0]=3 3898 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 22a_100000750164_100000070787 [0,2,0,0,0,0|1,0,0]=3 3899 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 527a_100000750164_100103153847 [0,2,0,0,0,0|1,0,0]=3 3900 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 11a_100000198070_100015343762 [0,2,0,0,0,0|1,0,0]=3 3901 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 1626a_100000198070_100015343762 [0,2,0,0,0,0|1,0,0]=3 3902 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 22a_100000198070_100000070787 [0,2,0,0,0,0|1,0,0]=3 3903 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 527a_100000198070_100103153847 [0,2,0,0,0,0|1,0,0]=3 3904 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100015343762 [0,2,0,0,0,0|1,0,0]=3 3905 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000070787 [0,2,0,0,0,0|1,0,0]=3 3906 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 271570a_203496583355_100000155607 [0,2,0,0,0,0|1,0,0]=3 3907 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100103153847 [0,2,0,0,0,0|1,0,0]=3 3908 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 11a_100000687081_100015343762 [0,2,0,0,0,0|1,0,0]=3 3909 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 1626a_100000687081_100015343762 [0,2,0,0,0,0|1,0,0]=3 3910 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 22a_100000687081_100000070787 [0,2,0,0,0,0|1,0,0]=3 3911 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 527a_100000687081_100103153847 [0,2,0,0,0,0|1,0,0]=3 3912 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 11a_100000188892_100015343762 [0,2,0,0,0,0|1,0,0]=3 3913 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 1626a_100000188892_100015343762 [0,2,0,0,0,0|1,0,0]=3 3914 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 22a_100000188892_100000070787 [0,2,0,0,0,0|1,0,0]=3 3915 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 527a_100000188892_100103153847 [0,2,0,0,0,0|1,0,0]=3 3916 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 11a_100000184108_100015343762 [0,2,0,0,0,0|1,0,0]=3 3917 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 1626a_100000184108_100015343762 [0,2,0,0,0,0|1,0,0]=3 3918 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 22a_100000184108_100000070787 [0,2,0,0,0,0|1,0,0]=3 3919 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 527a_100000184108_100103153847 [0,2,0,0,0,0|1,0,0]=3 3920 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 11a_100000211060_100015343762 [0,2,0,0,0,0|1,0,0]=3 3921 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 1626a_100000211060_100015343762 [0,2,0,0,0,0|1,0,0]=3 3922 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 22a_100000211060_100000070787 [0,2,0,0,0,0|1,0,0]=3 3923 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 527a_100000211060_100103153847 [0,2,0,0,0,0|1,0,0]=3 3924 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 11a_100000761885_100015343762 [0,2,0,0,0,0|1,0,0]=3 3925 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 1626a_100000761885_100015343762 [0,2,0,0,0,0|1,0,0]=3 3926 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 22a_100000761885_100000070787 [0,2,0,0,0,0|1,0,0]=3 3927 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000070787 [0,2,0,0,0,0|1,0,0]=3 3928 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 11a_100000759894_100015343762 [0,2,0,0,0,0|1,0,0]=3 3929 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 1626a_100000759894_100015343762 [0,2,0,0,0,0|1,0,0]=3 3930 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 22a_100000759894_100000070787 [0,2,0,0,0,0|1,0,0]=3 3931 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 527a_100000759894_100103153847 [0,2,0,0,0,0|1,0,0]=3 3932 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 11a_100000210958_100015343762 [0,2,0,0,0,0|1,0,0]=3 3933 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 1626a_100000210958_100015343762 [0,2,0,0,0,0|1,0,0]=3 3934 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 22a_100000210958_100000070787 [0,2,0,0,0,0|1,0,0]=3 3935 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 527a_100000210958_100103153847 [0,2,0,0,0,0|1,0,0]=3 3936 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 11a_100000739366_100015343762 [0,2,0,0,0,0|1,0,0]=3 3937 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 1626a_100000739366_100015343762 [0,2,0,0,0,0|1,0,0]=3 3938 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 22a_100000739366_100000070787 [0,2,0,0,0,0|1,0,0]=3 3939 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 11a_100000210724_100015343762 [0,2,0,0,0,0|1,0,0]=3 3940 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 1626a_100000210724_100015343762 [0,2,0,0,0,0|1,0,0]=3 3941 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 22a_100000210724_100000070787 [0,2,0,0,0,0|1,0,0]=3 3942 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 11a_100011356925_100015343762 [0,2,0,0,0,0|1,0,0]=3 3943 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 1626a_100011356925_100015343762 [0,2,0,0,0,0|1,0,0]=3 3944 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 22a_100011356925_100000070787 [0,2,0,0,0,0|1,0,0]=3 3945 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000070787 [0,2,0,0,0,0|1,0,0]=3 3946 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 271570a_203496583355_100011219590 [0,2,0,0,0,0|1,0,0]=3 3947 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 527a_100011220035_100103153847 [0,2,0,0,0,0|1,0,0]=3 3948 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 11a_100000750459_100015343762 [0,2,0,0,0,0|1,0,0]=3 3949 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 1626a_100000750459_100015343762 [0,2,0,0,0,0|1,0,0]=3 3950 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 22a_100000750459_100000070787 [0,2,0,0,0,0|1,0,0]=3 3951 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 527a_100000750459_100103153847 [0,2,0,0,0,0|1,0,0]=3 3952 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 11a_100000184131_100015343762 [0,2,0,0,0,0|1,0,0]=3 3953 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 1626a_100000184131_100015343762 [0,2,0,0,0,0|1,0,0]=3 3954 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 22a_100000184131_100000070787 [0,2,0,0,0,0|1,0,0]=3 3955 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 527a_100000184131_100103153847 [0,2,0,0,0,0|1,0,0]=3 3956 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 11a_100012360549_100015343762 [0,2,0,0,0,0|1,0,0]=3 3957 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 1626a_100012360549_100015343762 [0,2,0,0,0,0|1,0,0]=3 3958 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 22a_100012360549_100000070787 [0,2,0,0,0,0|1,0,0]=3 3959 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 527a_100012360549_100103153847 [0,2,0,0,0,0|1,0,0]=3 3960 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 11a_114828291077_100015343762 [0,2,0,0,0,0|1,0,0]=3 3961 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 1626a_114828291077_100015343762 [0,2,0,0,0,0|1,0,0]=3 3962 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 22a_114828291077_100000070787 [0,2,0,0,0,0|1,0,0]=3 3963 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 527a_114828291077_100103153847 [0,2,0,0,0,0|1,0,0]=3 3964 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 11a_100000759471_100015343762 [0,2,0,0,0,0|1,0,0]=3 3965 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 22a_100000759471_100000070787 [0,2,0,0,0,0|1,0,0]=3 3966 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 271570a_203496583355_100011221169 [0,2,0,0,0,0|1,0,0]=3 3967 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 527a_100000759471_100103153847 [0,2,0,0,0,0|1,0,0]=3 3968 B12R1.19 CC(=O)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000070787 [0,2,0,0,0,0|1,0,0]=3 3969 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 22a_100012017398_100000070787 [0,2,0,0,0,0|1,0,0]=3 3970 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 271570a_203496583355_100012348134 [0,2,0,0,0,0|1,0,0]=3 3971 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 527a_100012017398_100103153847 [0,2,0,0,0,0|1,0,0]=3 3972 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000070787 [0,2,0,0,0,0|1,0,0]=3 3973 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100103153847 [0,2,0,0,0,0|1,0,0]=3 3974 B12R1.19 CC(=O)Nc1ccc(c(n1)C)O 271570a_203496583355_100000187074 [0,2,0,0,0,0|2,0,0]=4 3975 B12R1.19 CC(=O)Nc1ccc(c(n1)F)O 271570a_203496583355_100000050017 [0,2,0,0,0,0|2,0,0]=4 3976 B12R1.19 CC(=O)Oc1ccc(c(c1)O)C 271570a_203496583355_200025702335 [0,2,0,0,0,0|0,0,0]=2 3977 B12R1.19 CC(C)Oc1ccc(c(c1)Br)Cl 34a_100011933957_100000210206 [0,2,0,0,0,0|1,0,1]=4 3978 B12R1.19 CC(C)Oc1ccc(c(c1)Br)Cl 7a_100011933957_100000210206 [0,2,0,0,0,0|1,0,1]=4 3979 B12R1.19 CC(C)Oc1ccc(c(c1)Br)F 34a_100000693481_100000210206 [0,2,0,0,0,0|1,0,1]=4 3980 B12R1.19 CC(C)Oc1ccc(c(c1)Br)F 7a_100000693481_100000210206 [0,2,0,0,0,0|1,0,1]=4 3981 B12R1.19 CC(C)Oc1ccc(c(c1)Br)I 34a_100000701344_100000210206 [0,2,0,0,0,0|1,0,1]=4 3982 B12R1.19 CC(C)Oc1ccc(c(c1)Br)I 7a_100000701344_100000210206 [0,2,0,0,0,0|1,0,1]=4 3983 B12R1.19 CC(C)Oc1ccc(c(c1)Br)N 34a_100012001276_100000210206 [0,2,0,0,0,0|1,0,1]=4 3984 B12R1.19 CC(C)Oc1ccc(c(c1)Br)N 7a_100012001276_100000210206 [0,2,0,0,0,0|1,0,1]=4 3985 B12R1.19 CC(C)Oc1ccc(c(c1)Cl)Br 34a_100011215161_100000210206 [0,2,0,0,0,0|1,0,1]=4 3986 B12R1.19 CC(C)Oc1ccc(c(c1)Cl)Br 7a_100011215161_100000210206 [0,2,0,0,0,0|1,0,1]=4 3987 B12R1.19 CC(C)Oc1ccc(c(c1)Cl)Cl 34a_100000211054_100000210206 [0,2,0,0,0,0|1,0,1]=4 3988 B12R1.19 CC(C)Oc1ccc(c(c1)Cl)Cl 7a_100000211054_100000210206 [0,2,0,0,0,0|1,0,1]=4 3989 B12R1.19 CC(C)Oc1ccc(c(c1)Cl)F 34a_100000211030_100000210206 [0,2,0,0,0,0|1,0,1]=4 3990 B12R1.19 CC(C)Oc1ccc(c(c1)Cl)F 7a_100000211030_100000210206 [0,2,0,0,0,0|1,0,1]=4 3991 B12R1.19 CC(C)Oc1ccc(c(c1)Cl)I 34a_100000047559_100000210206 [0,2,0,0,0,0|1,0,1]=4 3992 B12R1.19 CC(C)Oc1ccc(c(c1)Cl)I 7a_100000047559_100000210206 [0,2,0,0,0,0|1,0,1]=4 3993 B12R1.19 CC(C)Oc1ccc(c(c1)Cl)N 34a_100011215599_100000210206 [0,2,0,0,0,0|1,0,1]=4 3994 B12R1.19 CC(C)Oc1ccc(c(c1)Cl)N 7a_100011215599_100000210206 [0,2,0,0,0,0|1,0,1]=4 3995 B12R1.19 CC(C)Oc1ccc(c(c1)F)Br 34a_100000755031_100000210206 [0,2,0,0,0,0|1,0,1]=4 3996 B12R1.19 CC(C)Oc1ccc(c(c1)F)Br 7a_100000755031_100000210206 [0,2,0,0,0,0|1,0,1]=4 3997 B12R1.19 CC(C)Oc1ccc(c(c1)F)Cl 34a_100000691581_100000210206 [0,2,0,0,0,0|1,0,1]=4 3998 B12R1.19 CC(C)Oc1ccc(c(c1)F)Cl 7a_100000691581_100000210206 [0,2,0,0,0,0|1,0,1]=4 3999 B12R1.19 CC(C)Oc1ccc(c(c1)F)F 34a_100000181275_100000210206 [0,2,0,0,0,0|1,0,1]=4 4000 B12R1.19 CC(C)Oc1ccc(c(c1)F)F 7a_100000181275_100000210206 [0,2,0,0,0,0|1,0,1]=4 4001 B12R1.19 CC(C)Oc1ccc(c(c1)F)I 34a_100009990212_100000210206 [0,2,0,0,0,0|1,0,1]=4 4002 B12R1.19 CC(C)Oc1ccc(c(c1)F)I 7a_100009990212_100000210206 [0,2,0,0,0,0|1,0,1]=4 4003 B12R1.19 CC(C)Oc1ccc(c(c1)F)N 34a_100000759473_100000210206 [0,2,0,0,0,0|1,0,1]=4 4004 B12R1.19 CC(C)Oc1ccc(c(c1)F)N 7a_100000759473_100000210206 [0,2,0,0,0,0|1,0,1]=4 4005 B12R1.19 CC(C)Oc1ccc(c(c1)F)O 271570a_203496583355_200012236954 [0,2,0,0,0,0|1,0,1]=4 4006 B12R1.19 CC(C)Oc1ccc(c(c1)I)Br 34a_100012339312_100000210206 [0,2,0,0,0,0|1,0,1]=4 4007 B12R1.19 CC(C)Oc1ccc(c(c1)I)Br 7a_100012339312_100000210206 [0,2,0,0,0,0|1,0,1]=4 4008 B12R1.19 CC(C)Oc1ccc(c(c1)I)Cl 34a_100000049588_100000210206 [0,2,0,0,0,0|1,0,1]=4 4009 B12R1.19 CC(C)Oc1ccc(c(c1)I)Cl 7a_100000049588_100000210206 [0,2,0,0,0,0|1,0,1]=4 4010 B12R1.19 CC(C)Oc1ccc(c(c1)I)N 34a_100010084370_100000210206 [0,2,0,0,0,0|1,0,1]=4 4011 B12R1.19 CC(C)Oc1ccc(c(c1)I)N 7a_100010084370_100000210206 [0,2,0,0,0,0|1,0,1]=4 4012 B12R1.19 CC(C)Oc1ccc(c(c1)N)Br 34a_100011999798_100000210206 [0,2,0,0,0,0|1,0,1]=4 4013 B12R1.19 CC(C)Oc1ccc(c(c1)N)Br 7a_100011999798_100000210206 [0,2,0,0,0,0|1,0,1]=4 4014 B12R1.19 CC(C)Oc1ccc(c(c1)N)Cl 34a_100011934297_100000210206 [0,2,0,0,0,0|1,0,1]=4 4015 B12R1.19 CC(C)Oc1ccc(c(c1)N)F 34a_100012017239_100000210206 [0,2,0,0,0,0|1,0,1]=4 4016 B12R1.19 CC(C)Oc1ccc(c(c1)N)F 7a_100012017239_100000210206 [0,2,0,0,0,0|1,0,1]=4 4017 B12R1.19 CC(C)Oc1ccc(c(c1)N)N 34a_100025771000_100000210206 [0,2,0,0,0,0|1,0,1]=4 4018 B12R1.19 Cc1cc(ccc1Br)CC(=O)[13CH3] 1458a_100012340274_200025704644 [0,2,0,0,0,0|1,0,0]=3 4019 B12R1.19 Cc1cc(ccc1Br)OC(C)C 34a_100000690111_100000210206 [0,2,0,0,0,0|1,0,1]=4 4020 B12R1.19 Cc1cc(ccc1Br)OC(C)C 7a_100000690111_100000210206 [0,2,0,0,0,0|1,0,1]=4 4021 B12R1.19 Cc1cc(ccc1Cl)OC(C)C 34a_100000211092_100000210206 [0,2,0,0,0,0|1,0,1]=4 4022 B12R1.19 Cc1cc(ccc1Cl)OC(C)C 7a_100000211092_100000210206 [0,2,0,0,0,0|1,0,1]=4 4023 B12R1.19 Cc1cc(ccc1F)CC(=O)[13CH3] 1458a_100011667458_200025704644 [0,2,0,0,0,0|1,0,0]=3 4024 B12R1.19 Cc1cc(ccc1F)OC(C)C 34a_100000751312_100000210206 [0,2,0,0,0,0|1,0,1]=4 4025 B12R1.19 Cc1cc(ccc1F)OC(C)C 7a_100000751312_100000210206 [0,2,0,0,0,0|1,0,1]=4 4026 B12R1.19 Cc1cc(ccc1I)OC(C)C 34a_100000729255_100000210206 [0,2,0,0,0,0|1,0,1]=4 4027 B12R1.19 Cc1cc(ccc1I)OC(C)C 7a_100000729255_100000210206 [0,2,0,0,0,0|1,0,1]=4 4028 B12R1.19 Cc1cc(ccc1N)OC(C)C 34a_100000756630_100000210206 [0,2,0,0,0,0|1,0,1]=4 4029 B12R1.19 Cc1cc(ccc1N)OC(C)C 7a_100000756630_100000210206 [0,2,0,0,0,0|1,0,1]=4 4030 B12R1.19 Cc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000083968_200025704644 [0,2,0,0,0,0|1,0,0]=3 4031 B12R1.19 Cc1cc(ccc1O)NC(=O)N 271570a_203496583355_100000238934 [0,2,0,0,0,0|2,0,0]=4 4032 B12R1.19 Cc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100000709925_200025704644 [0,2,0,0,0,0|1,0,0]=3 4033 B12R1.19 Cc1ccc(cc1Br)OC(C)C 34a_100011380479_100000210206 [0,2,0,0,0,0|1,0,1]=4 4034 B12R1.19 Cc1ccc(cc1Br)OC(C)C 7a_100011380479_100000210206 [0,2,0,0,0,0|1,0,1]=4 4035 B12R1.19 Cc1ccc(cc1C)CC(=O)[13CH3] 1458a_100000184070_200025704644 [0,2,0,0,0,0|1,0,0]=3 4036 B12R1.19 Cc1ccc(cc1C)OC(C)C 34a_100000210932_100000210206 [0,2,0,0,0,0|1,0,1]=4 4037 B12R1.19 Cc1ccc(cc1C)OC(C)C 7a_100000210932_100000210206 [0,2,0,0,0,0|1,0,1]=4 4038 B12R1.19 Cc1ccc(cc1Cl)OC(C)C 34a_100011265682_100000210206 [0,2,0,0,0,0|1,0,1]=4 4039 B12R1.19 Cc1ccc(cc1Cl)OC(C)C 7a_100011265682_100000210206 [0,2,0,0,0,0|1,0,1]=4 4040 B12R1.19 Cc1ccc(cc1F)CC(=O)[13CH3] 1458a_100011217375_200025704644 [0,2,0,0,0,0|1,0,0]=3 4041 B12R1.19 Cc1ccc(cc1F)OC(C)C 34a_100000722560_100000210206 [0,2,0,0,0,0|1,0,1]=4 4042 B12R1.19 Cc1ccc(cc1F)OC(C)C 7a_100000722560_100000210206 [0,2,0,0,0,0|1,0,1]=4 4043 B12R1.19 Cc1ccc(cc1N)OC(C)C 34a_100011216113_100000210206 [0,2,0,0,0,0|1,0,1]=4 4044 B12R1.19 Cc1ccc(cc1N)OC(C)C 7a_100011216113_100000210206 [0,2,0,0,0,0|1,0,1]=4 4045 B12R1.19 Cc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000082272_200025704644 [0,2,0,0,0,0|1,0,0]=3 4046 B12R1.19 Cc1ccc(cc1O)OC(C)C 271570a_203496583355_200010081138 [0,2,0,0,0,0|1,0,1]=4 4047 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200025704644 [0,2,0,0,0,0|1,0,0]=3 4048 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200025704644 [0,2,0,0,0,0|1,0,0]=3 4049 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200025704644 [0,2,0,0,0,0|1,0,0]=3 4050 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200025704644 [0,2,0,0,0,0|1,0,0]=3 4051 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200025704644 [0,2,0,0,0,0|1,0,0]=3 4052 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200025704644 [0,2,0,0,0,0|1,0,0]=3 4053 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200025704644 [0,2,0,0,0,0|1,0,0]=3 4054 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200025704644 [0,2,0,0,0,0|1,0,0]=3 4055 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200025704644 [0,2,0,0,0,0|1,0,0]=3 4056 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200025704644 [0,2,0,0,0,0|1,0,0]=3 4057 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200025704644 [0,2,0,0,0,0|1,0,0]=3 4058 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200025704644 [0,2,0,0,0,0|1,0,0]=3 4059 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200025704644 [0,2,0,0,0,0|1,0,0]=3 4060 B12R1.20 CC(=C(C)c1ccc(cc1)Br)C 271570a_200000049429_100000752885 [0,2,0,0,0,0|2,0,0]=4 4061 B12R1.20 CC(=C(C)c1ccc(cc1)C)C 271570a_200000049429_100000186775 [0,2,0,0,0,0|2,0,0]=4 4062 B12R1.20 CC(=C(C)c1ccc(cc1)Cl)C 271570a_200000049429_100000755918 [0,2,0,0,0,0|2,0,0]=4 4063 B12R1.20 CC(=C(C)c1ccc(cc1)F)C 271570a_200000049429_100000211213 [0,2,0,0,0,0|2,0,0]=4 4064 B12R1.20 CC(=C(C)c1ccc(cc1)N)C 271570a_200000049429_100000185761 [0,2,0,0,0,0|2,0,0]=4 4065 B12R1.20 CC(=C(C)c1ccc(cc1)O)C 271570a_200000049429_100000185759 [0,2,0,0,0,0|2,0,0]=4 4066 B12R1.20 CC(=O)C(C)c1ccc(cc1)Br 1458a_100000070787_100000755118 [0,2,0,0,0,0|1,0,0]=3 4067 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000070787_100011261388 [0,2,0,0,0,0|1,0,0]=3 4068 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_200000210301 [0,2,0,0,0,0|1,0,0]=3 4069 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000070787_100000684792 [0,2,0,0,0,0|1,0,0]=3 4070 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_200000210301 [0,2,0,0,0,0|1,0,0]=3 4071 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100000070787_100000743420 [0,2,0,0,0,0|1,0,0]=3 4072 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_200000210301 [0,2,0,0,0,0|1,0,0]=3 4073 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [0,2,0,0,0,0|1,0,0]=3 4074 B12R1.20 CC(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200000210301 [0,2,0,0,0,0|1,0,0]=3 4075 B12R1.20 CC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200000210301 [0,2,0,0,0,0|1,0,0]=3 4076 B12R1.20 CC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200000210301 [0,2,0,0,0,0|1,0,0]=3 4077 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [0,2,0,0,0,0|1,0,0]=3 4078 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 11a_100000219623_100015343762 [0,2,0,0,0,0|1,0,0]=3 4079 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 1626a_100000219623_100015343762 [0,2,0,0,0,0|1,0,0]=3 4080 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 22a_100000219623_100000070787 [0,2,0,0,0,0|1,0,0]=3 4081 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 11a_100000219977_100015343762 [0,2,0,0,0,0|1,0,0]=3 4082 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 1626a_100000219977_100015343762 [0,2,0,0,0,0|1,0,0]=3 4083 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 22a_100000219977_100000070787 [0,2,0,0,0,0|1,0,0]=3 4084 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 11a_100020629279_100015343762 [0,2,0,0,0,0|1,0,0]=3 4085 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 1626a_100020629279_100015343762 [0,2,0,0,0,0|1,0,0]=3 4086 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 22a_100020629279_100000070787 [0,2,0,0,0,0|1,0,0]=3 4087 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 11a_100000219829_100015343762 [0,2,0,0,0,0|1,0,0]=3 4088 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 1626a_100000219829_100015343762 [0,2,0,0,0,0|1,0,0]=3 4089 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 22a_100000219829_100000070787 [0,2,0,0,0,0|1,0,0]=3 4090 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 11a_100000743151_100015343762 [0,2,0,0,0,0|1,0,0]=3 4091 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 1626a_100000743151_100015343762 [0,2,0,0,0,0|1,0,0]=3 4092 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 22a_100000743151_100000070787 [0,2,0,0,0,0|1,0,0]=3 4093 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000070787 [0,2,0,0,0,0|1,0,0]=3 4094 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 271570a_203496583355_200009816415 [0,2,0,0,0,0|1,0,0]=3 4095 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 527a_100000182112_100103153847 [0,2,0,0,0,0|1,0,0]=3 4096 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_200000210301 [0,2,0,0,0,0|1,0,0]=3 4097 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200000210301 [0,2,0,0,0,0|1,0,0]=3 4098 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100011216001_200025704644 [0,2,0,0,0,0|1,0,0]=3 4099 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)F 1458a_100011435297_200025704644 [0,2,0,0,0,0|1,0,0]=3 4100 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [0,2,0,0,0,0|1,0,0]=3 4101 B12R1.20 Cc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000751627_200025704644 [0,2,0,0,0,0|1,0,0]=3 4102 B12R1.20 Cc1ccc(cc1)[C@@H](O)C(=O)[13CH3] 1458a_100009815954_200025704644 [0,2,0,0,0,0|1,0,0]=3 4103 B12R1.20 NC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_200009822167 [0,2,0,0,0,0|2,0,0]=4 4104 B12R1.20 [13CH3]C(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200025704644 [0,2,0,0,0,0|1,0,0]=3 4105 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200025704644 [0,2,0,0,0,0|1,0,0]=3 4106 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200025704644 [0,2,0,0,0,0|1,0,0]=3 4107 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [0,2,0,0,0,0|1,0,0]=3 4108 B12R1.20 [13CH3]C(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200025704644 [0,2,0,0,0,0|1,0,0]=3 4109 B12R1.49 C#CC(=O)Cc1ccc(cc1)Br 1458a_100000211873_100000189115 [0,2,0,0,0,0|1,0,1]=4 4110 B12R1.49 C#CC(=O)Cc1ccc(cc1)C 1458a_100000211873_100000210814 [0,2,0,0,0,0|1,0,1]=4 4111 B12R1.49 C#CC(=O)Cc1ccc(cc1)Cl 1458a_100000211873_100000694040 [0,2,0,0,0,0|1,0,1]=4 4112 B12R1.49 C#CC(=O)Cc1ccc(cc1)F 1458a_100000211873_100000198546 [0,2,0,0,0,0|1,0,1]=4 4113 B12R1.49 C#CC(=O)Cc1ccc(cc1)I 1458a_100000211873_100000189116 [0,2,0,0,0,0|1,0,1]=4 4114 B12R1.49 C#CC(C)Oc1ccc(cc1)Br 34a_100000185759_200000035995 [0,2,0,0,0,0|1,0,1]=4 4115 B12R1.49 C#CC(C)Oc1ccc(cc1)C 34a_100000210336_200000035995 [0,2,0,0,0,0|1,0,1]=4 4116 B12R1.49 C#CC(C)Oc1ccc(cc1)Cl 34a_100000210216_200000035995 [0,2,0,0,0,0|1,0,1]=4 4117 B12R1.49 C#CC(C)Oc1ccc(cc1)F 34a_100000210339_200000035995 [0,2,0,0,0,0|1,0,1]=4 4118 B12R1.49 C#CC(C)Oc1ccc(cc1)I 34a_100000212066_200000035995 [0,2,0,0,0,0|1,0,1]=4 4119 B12R1.49 C#CC(C)Oc1ccc(cc1)N 34a_100000185829_200000035995 [0,2,0,0,0,0|1,0,1]=4 4120 B12R1.49 C=CC(=O)Cc1ccc(cc1)Br 1458a_100000185746_100000189115 [0,2,0,0,0,0|1,0,1]=4 4121 B12R1.49 C=CC(=O)Cc1ccc(cc1)C 1458a_100000185746_100000210814 [0,2,0,0,0,0|1,0,1]=4 4122 B12R1.49 C=CC(=O)Cc1ccc(cc1)Cl 1458a_100000185746_100000694040 [0,2,0,0,0,0|1,0,1]=4 4123 B12R1.49 C=CC(=O)Cc1ccc(cc1)F 1458a_100000185746_100000198546 [0,2,0,0,0,0|1,0,1]=4 4124 B12R1.49 C=CC(=O)Cc1ccc(cc1)I 1458a_100000185746_100000189116 [0,2,0,0,0,0|1,0,1]=4 4125 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185746 [0,2,0,0,0,0|1,0,1]=4 4126 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185746 [0,2,0,0,0,0|1,0,1]=4 4127 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185746 [0,2,0,0,0,0|1,0,1]=4 4128 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000185746 [0,2,0,0,0,0|1,0,1]=4 4129 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185746 [0,2,0,0,0,0|1,0,1]=4 4130 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185746 [0,2,0,0,0,0|1,0,1]=4 4131 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185746 [0,2,0,0,0,0|1,0,1]=4 4132 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000185746 [0,2,0,0,0,0|1,0,1]=4 4133 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185746 [0,2,0,0,0,0|1,0,1]=4 4134 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000185746 [0,2,0,0,0,0|1,0,1]=4 4135 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185746 [0,2,0,0,0,0|1,0,1]=4 4136 B12R1.49 CC(=Cc1ccc(cc1)Br)C#N 6a_100000186029_200000212204 [0,2,0,0,0,0|2,0,0]=4 4137 B12R1.49 CC(=Cc1ccc(cc1)F)C#N 6a_100000210084_200000212204 [0,2,0,0,0,0|2,0,0]=4 4138 B12R1.49 CC(=Cc1ccc(cc1)I)C#N 6a_100000188517_200000212204 [0,2,0,0,0,0|2,0,0]=4 4139 B12R1.49 CC(C#N)Oc1ccc(cc1)Br 7a_100000185759_100000703298 [0,2,0,0,0,0|1,0,1]=4 4140 B12R1.49 CC(C#N)Oc1ccc(cc1)Cl 7a_100000210216_100000703298 [0,2,0,0,0,0|1,0,1]=4 4141 B12R1.49 CC(C#N)Oc1ccc(cc1)I 7a_100000212066_100000703298 [0,2,0,0,0,0|1,0,1]=4 4142 B12R1.49 CC(CO)Oc1ccc(cc1)Br 34a_100000185759_100012180447 [0,2,0,0,0,0|0,0,2]=4 4143 B12R1.49 CC(CO)Oc1ccc(cc1)Br 7a_100000185759_100012180447 [0,2,0,0,0,0|0,0,2]=4 4144 B12R1.49 CC(CO)Oc1ccc(cc1)Cl 34a_100000210216_100012180447 [0,2,0,0,0,0|0,0,2]=4 4145 B12R1.49 CC(CO)Oc1ccc(cc1)Cl 7a_100000210216_100012180447 [0,2,0,0,0,0|0,0,2]=4 4146 B12R1.49 CC(CO)Oc1ccc(cc1)F 34a_100000210339_100012180447 [0,2,0,0,0,0|0,0,2]=4 4147 B12R1.49 CC(CO)Oc1ccc(cc1)I 34a_100000212066_100012180447 [0,2,0,0,0,0|0,0,2]=4 4148 B12R1.49 CC(CO)Oc1ccc(cc1)I 7a_100000212066_100012180447 [0,2,0,0,0,0|0,0,2]=4 4149 B12R1.49 CC(CO)Oc1ccc(cc1)N 34a_100000185829_100012180447 [0,2,0,0,0,0|0,0,2]=4 4150 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210202 [0,2,0,0,0,0|1,0,0]=3 4151 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000210414_100000189115 [0,2,0,0,0,0|1,0,0]=3 4152 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000210414_100000210814 [0,2,0,0,0,0|1,0,0]=3 4153 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210202 [0,2,0,0,0,0|1,0,0]=3 4154 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210414_100000694040 [0,2,0,0,0,0|1,0,0]=3 4155 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210202 [0,2,0,0,0,0|1,0,0]=3 4156 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210414_100000198546 [0,2,0,0,0,0|1,0,0]=3 4157 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210202 [0,2,0,0,0,0|1,0,0]=3 4158 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000210414_100000189116 [0,2,0,0,0,0|1,0,0]=3 4159 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210202 [0,2,0,0,0,0|1,0,0]=3 4160 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210202 [0,2,0,0,0,0|1,0,0]=3 4161 B12R1.49 CCC(=O)Cc1ccc(cn1)Br 1458a_100000210414_100000702658 [0,2,0,0,0,0|2,0,0]=4 4162 B12R1.49 CCC(=O)Cc1ccc(cn1)Br 1458a_100020629044_100000210202 [0,2,0,0,0,0|2,0,0]=4 4163 B12R1.49 CCC(=O)Cc1ccc(cn1)C 1458a_100000210414_100000691093 [0,2,0,0,0,0|2,0,0]=4 4164 B12R1.49 CCC(=O)Cc1ccc(cn1)C 1458a_100025705728_100000210202 [0,2,0,0,0,0|2,0,0]=4 4165 B12R1.49 CCC(=O)Cc1ccc(cn1)Cl 1458a_100000210414_100012066911 [0,2,0,0,0,0|2,0,0]=4 4166 B12R1.49 CCC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_100000210202 [0,2,0,0,0,0|2,0,0]=4 4167 B12R1.49 CCC(=O)Cc1ccc(cn1)F 1458a_100000210414_100000703193 [0,2,0,0,0,0|2,0,0]=4 4168 B12R1.49 CCC(=O)Cc1ccc(nc1)Br 1458a_100000210414_100009831999 [0,2,0,0,0,0|2,0,0]=4 4169 B12R1.49 CCC(=O)Cc1ccc(nc1)Br 1458a_100010067268_100000210202 [0,2,0,0,0,0|2,0,0]=4 4170 B12R1.49 CCC(=O)Cc1ccc(nc1)C 1458a_100000210414_100016987292 [0,2,0,0,0,0|2,0,0]=4 4171 B12R1.49 CCC(=O)Cc1ccc(nc1)C 1458a_100000740413_100000210202 [0,2,0,0,0,0|2,0,0]=4 4172 B12R1.49 CCC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_100000210202 [0,2,0,0,0,0|2,0,0]=4 4173 B12R1.49 CCC(=O)Cc1ccc(nc1)Cl 1458a_100000210414_100000735431 [0,2,0,0,0,0|2,0,0]=4 4174 B12R1.49 CCC(=O)Cc1ccc(nc1)F 1458a_100000210414_100009820150 [0,2,0,0,0,0|2,0,0]=4 4175 B12R1.49 CCC(=O)Cn1ccc(=O)cc1 1458a_200000238563_100000210202 [0,2,0,0,0,0|2,0,0]=4 4176 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210414 [0,2,0,0,0,0|1,0,0]=3 4177 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210414 [0,2,0,0,0,0|1,0,0]=3 4178 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210414 [0,2,0,0,0,0|1,0,0]=3 4179 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000210414 [0,2,0,0,0,0|1,0,0]=3 4180 B12R1.49 CCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210414 [0,2,0,0,0,0|1,0,0]=3 4181 B12R1.49 CCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210414 [0,2,0,0,0,0|1,0,0]=3 4182 B12R1.49 CCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210414 [0,2,0,0,0,0|1,0,0]=3 4183 B12R1.49 CCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000210414 [0,2,0,0,0,0|1,0,0]=3 4184 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210414 [0,2,0,0,0,0|1,0,0]=3 4185 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210414 [0,2,0,0,0,0|1,0,0]=3 4186 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210414 [0,2,0,0,0,0|1,0,0]=3 4187 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000210414 [0,2,0,0,0,0|1,0,0]=3 4188 B12R1.49 CCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210414 [0,2,0,0,0,0|1,0,0]=3 4189 B12R1.49 CCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210414 [0,2,0,0,0,0|1,0,0]=3 4190 B12R1.49 CCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210414 [0,2,0,0,0,0|1,0,0]=3 4191 B12R1.49 CCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000210414 [0,2,0,0,0,0|1,0,0]=3 4192 B12R1.49 CCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210414 [0,2,0,0,0,0|1,0,0]=3 4193 B12R1.49 CCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210414 [0,2,0,0,0,0|1,0,0]=3 4194 B12R1.49 CCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210414 [0,2,0,0,0,0|1,0,0]=3 4195 B12R1.49 CCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000210414 [0,2,0,0,0,0|1,0,0]=3 4196 B12R1.49 CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210414 [0,2,0,0,0,0|1,0,0]=3 4197 B12R1.49 CCC(=O)Oc1ccc(cc1)O 271570a_203496583355_200009811598 [0,2,0,0,0,0|0,0,0]=2 4198 B12R1.49 CCC(C)Oc1ccc(cc1)Br 34a_100000185759_100011215416 [0,2,0,0,0,0|1,0,1]=4 4199 B12R1.49 CCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000758301 [0,2,0,0,0,0|1,0,1]=4 4200 B12R1.49 CCC(C)Oc1ccc(cc1)C 34a_100000210336_100011215416 [0,2,0,0,0,0|1,0,1]=4 4201 B12R1.49 CCC(C)Oc1ccc(cc1)C 7a_100000210336_100000758301 [0,2,0,0,0,0|1,0,1]=4 4202 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100011215416 [0,2,0,0,0,0|1,0,1]=4 4203 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000758301 [0,2,0,0,0,0|1,0,1]=4 4204 B12R1.49 CCC(C)Oc1ccc(cc1)F 34a_100000210339_100011215416 [0,2,0,0,0,0|1,0,1]=4 4205 B12R1.49 CCC(C)Oc1ccc(cc1)I 34a_100000212066_100011215416 [0,2,0,0,0,0|1,0,1]=4 4206 B12R1.49 CCC(C)Oc1ccc(cc1)I 7a_100000212066_100000758301 [0,2,0,0,0,0|1,0,1]=4 4207 B12R1.49 CCC(C)Oc1ccc(cc1)N 34a_100000185829_100011215416 [0,2,0,0,0,0|1,0,1]=4 4208 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 11a_106832991635_100000198978 [0,2,0,0,0,0|1,0,0]=3 4209 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 240690a_100102657272_100000198978 [0,2,0,0,0,0|1,0,0]=3 4210 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 527a_100102657272_100000198978 [0,2,0,0,0,0|1,0,0]=3 4211 B12R1.49 CNC(=O)Cc1ccc(cc1)C 11a_106832991635_100000212244 [0,2,0,0,0,0|1,0,0]=3 4212 B12R1.49 CNC(=O)Cc1ccc(cc1)C 240690a_100102657272_100000212244 [0,2,0,0,0,0|1,0,0]=3 4213 B12R1.49 CNC(=O)Cc1ccc(cc1)C 527a_100102657272_100000212244 [0,2,0,0,0,0|1,0,0]=3 4214 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 11a_106832991635_100000211027 [0,2,0,0,0,0|1,0,0]=3 4215 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 240690a_100102657272_100000211027 [0,2,0,0,0,0|1,0,0]=3 4216 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 527a_100102657272_100000211027 [0,2,0,0,0,0|1,0,0]=3 4217 B12R1.49 CNC(=O)Cc1ccc(cc1)F 11a_106832991635_100000210951 [0,2,0,0,0,0|1,0,0]=3 4218 B12R1.49 CNC(=O)Cc1ccc(cc1)F 1626a_100102657272_100000210951 [0,2,0,0,0,0|1,0,0]=3 4219 B12R1.49 CNC(=O)Cc1ccc(cc1)F 240690a_100102657272_100000210951 [0,2,0,0,0,0|1,0,0]=3 4220 B12R1.49 CNC(=O)Cc1ccc(cc1)F 527a_100102657272_100000210951 [0,2,0,0,0,0|1,0,0]=3 4221 B12R1.49 CNC(=O)Cc1ccc(cc1)I 11a_106832991635_100000688869 [0,2,0,0,0,0|1,0,0]=3 4222 B12R1.49 CNC(=O)Cc1ccc(cc1)I 1626a_100102657272_100000688869 [0,2,0,0,0,0|1,0,0]=3 4223 B12R1.49 CNC(=O)Cc1ccc(cc1)I 240690a_100102657272_100000688869 [0,2,0,0,0,0|1,0,0]=3 4224 B12R1.49 CNC(=O)Cc1ccc(cc1)I 527a_100102657272_100000688869 [0,2,0,0,0,0|1,0,0]=3 4225 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1626a_100102657272_100000198540 [0,2,0,0,0,0|1,0,0]=3 4226 B12R1.49 CNC(=O)Cc1ccc(cc1)O 240690a_100102657272_100000198540 [0,2,0,0,0,0|1,0,0]=3 4227 B12R1.49 CNC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000155101 [0,2,0,0,0,0|1,0,0]=3 4228 B12R1.49 CNC(=O)Cc1ccc(cc1)O 527a_100102657272_100000198540 [0,2,0,0,0,0|1,0,0]=3 4229 B12R1.49 CNC(=O)Cc1ccc(cn1)Br 11a_106832991635_100020629044 [0,2,0,0,0,0|2,0,0]=4 4230 B12R1.49 CNC(=O)Cc1ccc(cn1)Br 240690a_100102657272_100020629044 [0,2,0,0,0,0|2,0,0]=4 4231 B12R1.49 CNC(=O)Cc1ccc(cn1)C 11a_106832991635_100025705728 [0,2,0,0,0,0|2,0,0]=4 4232 B12R1.49 CNC(=O)Cc1ccc(cn1)C 1626a_100102657272_100025705728 [0,2,0,0,0,0|2,0,0]=4 4233 B12R1.49 CNC(=O)Cc1ccc(cn1)C 240690a_100102657272_100025705728 [0,2,0,0,0,0|2,0,0]=4 4234 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 11a_106832991635_100000728320 [0,2,0,0,0,0|2,0,0]=4 4235 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 1626a_100102657272_100000728320 [0,2,0,0,0,0|2,0,0]=4 4236 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 240690a_100102657272_100000728320 [0,2,0,0,0,0|2,0,0]=4 4237 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 527a_100102657272_100000728320 [0,2,0,0,0,0|2,0,0]=4 4238 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 11a_106832991635_100010067268 [0,2,0,0,0,0|2,0,0]=4 4239 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 240690a_100102657272_100010067268 [0,2,0,0,0,0|2,0,0]=4 4240 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 527a_100102657272_100010067268 [0,2,0,0,0,0|2,0,0]=4 4241 B12R1.49 CNC(=O)Cc1ccc(nc1)C 11a_106832991635_100000740413 [0,2,0,0,0,0|2,0,0]=4 4242 B12R1.49 CNC(=O)Cc1ccc(nc1)C 1626a_100102657272_100000740413 [0,2,0,0,0,0|2,0,0]=4 4243 B12R1.49 CNC(=O)Cc1ccc(nc1)C 240690a_100102657272_100000740413 [0,2,0,0,0,0|2,0,0]=4 4244 B12R1.49 CNC(=O)Cc1ccc(nc1)C 527a_100102657272_100000740413 [0,2,0,0,0,0|2,0,0]=4 4245 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 11a_106832991635_100000061944 [0,2,0,0,0,0|2,0,0]=4 4246 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 1626a_100102657272_100000061944 [0,2,0,0,0,0|2,0,0]=4 4247 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 240690a_100102657272_100000061944 [0,2,0,0,0,0|2,0,0]=4 4248 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 527a_100102657272_100000061944 [0,2,0,0,0,0|2,0,0]=4 4249 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 11a_106832991635_200000238563 [0,2,0,0,0,0|2,0,0]=4 4250 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 1626a_100102657272_200000238563 [0,2,0,0,0,0|2,0,0]=4 4251 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 240690a_100102657272_200000238563 [0,2,0,0,0,0|2,0,0]=4 4252 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 527a_100102657272_200000238563 [0,2,0,0,0,0|2,0,0]=4 4253 B12R1.49 CNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100102657272 [0,2,0,0,0,0|1,0,0]=3 4254 B12R1.49 CNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100102657272 [0,2,0,0,0,0|1,0,0]=3 4255 B12R1.49 CNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100102657272 [0,2,0,0,0,0|1,0,0]=3 4256 B12R1.49 CNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100102657272 [0,2,0,0,0,0|1,0,0]=3 4257 B12R1.49 CNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100102657272 [0,2,0,0,0,0|1,0,0]=3 4258 B12R1.49 CNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100102657272 [0,2,0,0,0,0|1,0,0]=3 4259 B12R1.49 COC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000149743 [0,2,0,0,0,0|1,0,0]=3 4260 B12R1.49 COC(=O)Cc1ccc(cn1)O 271570a_203496583355_100012362609 [0,2,0,0,0,0|2,0,0]=4 4261 B12R1.49 COC(=O)Cc1ccc(nc1)O 271570a_203496583355_100000071674 [0,2,0,0,0,0|2,0,0]=4 4262 B12R1.49 COC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000181880 [0,2,0,0,0,0|1,0,0]=3 4263 B12R1.49 COC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000188976 [0,2,0,0,0,0|2,0,0]=4 4264 B12R1.49 Cc1ccc(cc1)CC(=O)CF 1458a_100000212244_100015361967 [0,2,0,0,0,0|1,0,0]=3 4265 B12R1.49 Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000210814 [0,2,0,0,0,0|1,0,0]=3 4266 B12R1.49 Cc1ccc(cc1)NC(=O)CO 22a_100000124888_100000210174 [0,2,0,0,0,0|1,0,0]=3 4267 B12R1.49 Cc1ccc(cc1)NC(=O)CO 527a_100000124888_100000210174 [0,2,0,0,0,0|1,0,0]=3 4268 B12R1.49 Cc1ccc(cc1)OC(C)C#N 7a_100000210336_100000703298 [0,2,0,0,0,0|1,0,1]=4 4269 B12R1.49 Cc1ccc(cc1)OC(C)CO 34a_100000210336_100012180447 [0,2,0,0,0,0|0,0,2]=4 4270 B12R1.49 Cc1ccc(cc1)OC(C)CO 7a_100000210336_100012180447 [0,2,0,0,0,0|0,0,2]=4 4271 B12R1.49 Cc1ccc(cn1)CC(=O)CF 1458a_100000740413_100015361967 [0,2,0,0,0,0|2,0,0]=4 4272 B12R1.49 Cc1ccc(cn1)CC(=O)CO 1458a_100000210174_100016987292 [0,2,0,0,0,0|2,0,0]=4 4273 B12R1.49 Cc1ccc(nc1)CC(=O)CF 1458a_100025705728_100015361967 [0,2,0,0,0,0|2,0,0]=4 4274 B12R1.49 Cc1ccc(nc1)CC(=O)CO 1458a_100000210174_100000691093 [0,2,0,0,0,0|2,0,0]=4 4275 B12R1.49 O=C(CF)Cc1ccc(cc1)Br 1458a_100000198978_100015361967 [0,2,0,0,0,0|1,0,0]=3 4276 B12R1.49 O=C(CF)Cc1ccc(cc1)Cl 1458a_100000211027_100015361967 [0,2,0,0,0,0|1,0,0]=3 4277 B12R1.49 O=C(CF)Cc1ccc(cc1)F 1458a_100000210951_100015361967 [0,2,0,0,0,0|1,0,0]=3 4278 B12R1.49 O=C(CF)Cc1ccc(cc1)I 1458a_100000688869_100015361967 [0,2,0,0,0,0|1,0,0]=3 4279 B12R1.49 O=C(CF)Cc1ccc(cc1)O 1458a_100000198540_100015361967 [0,2,0,0,0,0|1,0,0]=3 4280 B12R1.49 O=C(CF)Cc1ccc(cn1)Br 1458a_100020629044_100015361967 [0,2,0,0,0,0|2,0,0]=4 4281 B12R1.49 O=C(CF)Cc1ccc(cn1)Cl 1458a_100000728320_100015361967 [0,2,0,0,0,0|2,0,0]=4 4282 B12R1.49 O=C(CF)Cc1ccc(nc1)Br 1458a_100010067268_100015361967 [0,2,0,0,0,0|2,0,0]=4 4283 B12R1.49 O=C(CF)Cc1ccc(nc1)Cl 1458a_100000061944_100015361967 [0,2,0,0,0,0|2,0,0]=4 4284 B12R1.49 O=C(CF)Cn1ccc(=O)cc1 1458a_200000238563_100015361967 [0,2,0,0,0,0|2,0,0]=4 4285 B12R1.49 O=C(CO)Cc1ccc(cc1)Br 1458a_100000210174_100000189115 [0,2,0,0,0,0|1,0,0]=3 4286 B12R1.49 O=C(CO)Cc1ccc(cc1)Cl 1458a_100000210174_100000694040 [0,2,0,0,0,0|1,0,0]=3 4287 B12R1.49 O=C(CO)Cc1ccc(cc1)F 1458a_100000210174_100000198546 [0,2,0,0,0,0|1,0,0]=3 4288 B12R1.49 O=C(CO)Cc1ccc(cc1)I 1458a_100000210174_100000189116 [0,2,0,0,0,0|1,0,0]=3 4289 B12R1.49 O=C(CO)Cc1ccc(cn1)Br 1458a_100000210174_100000702658 [0,2,0,0,0,0|2,0,0]=4 4290 B12R1.49 O=C(CO)Cc1ccc(cn1)Cl 1458a_100000210174_100012066911 [0,2,0,0,0,0|2,0,0]=4 4291 B12R1.49 O=C(CO)Cc1ccc(cn1)F 1458a_100000210174_100000703193 [0,2,0,0,0,0|2,0,0]=4 4292 B12R1.49 O=C(CO)Cc1ccc(nc1)Br 1458a_100000210174_100009831999 [0,2,0,0,0,0|2,0,0]=4 4293 B12R1.49 O=C(CO)Cc1ccc(nc1)Cl 1458a_100000210174_100000735431 [0,2,0,0,0,0|2,0,0]=4 4294 B12R1.49 O=C(CO)Cc1ccc(nc1)F 1458a_100000210174_100009820150 [0,2,0,0,0,0|2,0,0]=4 4295 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 22a_100000210018_100000210174 [0,2,0,0,0,0|1,0,0]=3 4296 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 527a_100000210018_100000210174 [0,2,0,0,0,0|1,0,0]=3 4297 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 22a_100000210052_100000210174 [0,2,0,0,0,0|1,0,0]=3 4298 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 527a_100000210052_100000210174 [0,2,0,0,0,0|1,0,0]=3 4299 B12R1.49 O=C(CO)Nc1ccc(cc1)F 22a_100000185862_100000210174 [0,2,0,0,0,0|1,0,0]=3 4300 B12R1.49 O=C(CO)Nc1ccc(cc1)F 527a_100000185862_100000210174 [0,2,0,0,0,0|1,0,0]=3 4301 B12R1.49 O=C(CO)Nc1ccc(cc1)I 22a_100000185761_100000210174 [0,2,0,0,0,0|1,0,0]=3 4302 B12R1.49 O=C(CO)Nc1ccc(cc1)I 527a_100000185761_100000210174 [0,2,0,0,0,0|1,0,0]=3 4303 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [0,2,0,0,0,0|1,0,0]=3 4304 B12R1.106 CC(C)(C)Oc1ccc(cc1)Br 34a_100000185759_100000210625 [0,2,0,0,0,0|1,0,1]=4 4305 B12R1.106 CC(C)(C)Oc1ccc(cc1)Cl 34a_100000210216_100000210625 [0,2,0,0,0,0|1,0,1]=4 4306 B12R1.106 CC(C)(C)Oc1ccc(cc1)F 34a_100000210339_100000210625 [0,2,0,0,0,0|1,0,1]=4 4307 B12R1.106 CC(C)(C)Oc1ccc(cc1)I 34a_100000212066_100000210625 [0,2,0,0,0,0|1,0,1]=4 4308 B12R1.106 CC(C)(C)Oc1ccc(cc1)N 34a_100000185829_100000210625 [0,2,0,0,0,0|1,0,1]=4 4309 B12R1.106 CC(C)(C)Oc1ccc(cc1)O 271570a_203496583355_100000701926 [0,2,0,0,0,0|1,0,1]=4 4310 B12R1.106 CS(=O)(=O)Cc1ccc(cc1)O 271570a_203496583355_100009814647 [0,2,0,0,0,0|2,0,0]=4 4311 B12R1.106 CS(=O)(=O)Nc1ccc(cc1)Cl 40a_100000210052_100000738038 [0,2,0,0,0,0|2,0,0]=4 4312 B12R1.106 CS(=O)(=O)Nc1ccc(cc1)F 40a_100000185862_100000738038 [0,2,0,0,0,0|2,0,0]=4 4313 B12R1.106 CS(=O)(=O)Nc1ccc(cc1)I 40a_100000185761_100000738038 [0,2,0,0,0,0|2,0,0]=4 4314 B12R1.106 CS(=O)(=O)Nc1ccc(cc1)O 271570a_203496583355_200000165602 [0,2,0,0,0,0|2,0,0]=4 4315 B12R1.106 C[Si](C)(C)Oc1ccc(cc1)O 271570a_203496583355_100009813852 [0,2,0,0,0,0|1,1,0]=4 4316 B12R1.106 Cc1ccc(cc1)NS(=O)(=O)C 40a_100000124888_100000738038 [0,2,0,0,0,0|2,0,0]=4 4317 B12R1.106 Cc1ccc(cc1)OC(C)(C)C 34a_100000210336_100000210625 [0,2,0,0,0,0|1,0,1]=4 4318 B12R1.233 CC(=Cc1ccc(cc1Br)Br)C 271570a_100102525489_100011484698 [0,2,0,0,0,0|2,0,0]=4 4319 B12R1.233 CC(=Cc1ccc(cc1Br)C)C 271570a_100102525489_100009813563 [0,2,0,0,0,0|2,0,0]=4 4320 B12R1.233 CC(=Cc1ccc(cc1Br)Cl)C 271570a_100102525489_100011219703 [0,2,0,0,0,0|2,0,0]=4 4321 B12R1.233 CC(=Cc1ccc(cc1Br)F)C 271570a_100102525489_100011217111 [0,2,0,0,0,0|2,0,0]=4 4322 B12R1.233 CC(=Cc1ccc(cc1Br)N)C 271570a_100102525489_100000750458 [0,2,0,0,0,0|2,0,0]=4 4323 B12R1.233 CC(=Cc1ccc(cc1Br)O)C 271570a_100102525489_100000701344 [0,2,0,0,0,0|2,0,0]=4 4324 B12R1.233 CC(=Cc1ccc(cc1C)Br)C 271570a_100102525489_100000701812 [0,2,0,0,0,0|2,0,0]=4 4325 B12R1.233 CC(=Cc1ccc(cc1C)C)C 271570a_100102525489_100011217332 [0,2,0,0,0,0|2,0,0]=4 4326 B12R1.233 CC(=Cc1ccc(cc1C)Cl)C 271570a_100102525489_100011219607 [0,2,0,0,0,0|2,0,0]=4 4327 B12R1.233 CC(=Cc1ccc(cc1C)F)C 271570a_100102525489_100011205405 [0,2,0,0,0,0|2,0,0]=4 4328 B12R1.233 CC(=Cc1ccc(cc1C)N)C 271570a_100102525489_100000210723 [0,2,0,0,0,0|2,0,0]=4 4329 B12R1.233 CC(=Cc1ccc(cc1C)O)C 271570a_100102525489_100000729255 [0,2,0,0,0,0|2,0,0]=4 4330 B12R1.233 CC(=Cc1ccc(cc1Cl)Br)C 271570a_100102525489_100011216062 [0,2,0,0,0,0|2,0,0]=4 4331 B12R1.233 CC(=Cc1ccc(cc1Cl)C)C 271570a_100102525489_100011263221 [0,2,0,0,0,0|2,0,0]=4 4332 B12R1.233 CC(=Cc1ccc(cc1Cl)Cl)C 271570a_100102525489_100000699841 [0,2,0,0,0,0|2,0,0]=4 4333 B12R1.233 CC(=Cc1ccc(cc1Cl)F)C 271570a_100102525489_100000733362 [0,2,0,0,0,0|2,0,0]=4 4334 B12R1.233 CC(=Cc1ccc(cc1Cl)N)C 271570a_100102525489_100000761885 [0,2,0,0,0,0|2,0,0]=4 4335 B12R1.233 CC(=Cc1ccc(cc1Cl)O)C 271570a_100102525489_100000047559 [0,2,0,0,0,0|2,0,0]=4 4336 B12R1.233 CC(=Cc1ccc(cc1F)Br)C 271570a_100102525489_100009814013 [0,2,0,0,0,0|2,0,0]=4 4337 B12R1.233 CC(=Cc1ccc(cc1F)C)C 271570a_100102525489_100011216119 [0,2,0,0,0,0|2,0,0]=4 4338 B12R1.233 CC(=Cc1ccc(cc1F)Cl)C 271570a_100102525489_100011216042 [0,2,0,0,0,0|2,0,0]=4 4339 B12R1.233 CC(=Cc1ccc(cc1F)F)C 271570a_100102525489_100000750030 [0,2,0,0,0,0|2,0,0]=4 4340 B12R1.233 CC(=Cc1ccc(cc1F)N)C 271570a_100102525489_100011356925 [0,2,0,0,0,0|2,0,0]=4 4341 B12R1.233 CC(=Cc1ccc(cc1F)O)C 271570a_100102525489_100000755031 [0,2,0,0,0,0|2,0,0]=4 4342 B12R1.233 CC(=Cc1ccc(cc1N)Br)C 271570a_100102525489_100000743836 [0,2,0,0,0,0|2,0,0]=4 4343 B12R1.233 CC(=Cc1ccc(cc1N)C)C 271570a_100102525489_100011216686 [0,2,0,0,0,0|2,0,0]=4 4344 B12R1.233 CC(=Cc1ccc(cc1N)Cl)C 271570a_100102525489_100000761886 [0,2,0,0,0,0|2,0,0]=4 4345 B12R1.233 CC(=Cc1ccc(cc1N)F)C 271570a_100102525489_100011218093 [0,2,0,0,0,0|2,0,0]=4 4346 B12R1.233 CC(=Cc1ccc(cc1N)N)C 271570a_100102525489_200012175722 [0,2,0,0,0,0|2,0,0]=4 4347 B12R1.233 CC(=Cc1ccc(cc1N)O)C 271570a_100102525489_100011999798 [0,2,0,0,0,0|2,0,0]=4 4348 B12R1.233 CC(=Cc1ccc(cc1O)Br)C 271570a_100102525489_100012344904 [0,2,0,0,0,0|2,0,0]=4 4349 B12R1.233 CC(=Cc1ccc(cc1O)C)C 271570a_100102525489_100012002257 [0,2,0,0,0,0|2,0,0]=4 4350 B12R1.233 CC(=Cc1ccc(cc1O)Cl)C 271570a_100102525489_100000050036 [0,2,0,0,0,0|2,0,0]=4 4351 B12R1.233 CC(=Cc1ccc(cc1O)F)C 271570a_100102525489_100000690578 [0,2,0,0,0,0|2,0,0]=4 4352 B12R1.233 CC(=Cc1ccc(cc1O)O)C 271570a_100102525489_100009813921 [0,2,0,0,0,0|2,0,0]=4 4353 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100000070787_200012351560 [0,2,0,0,0,0|1,0,0]=3 4354 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200000210301 [0,2,0,0,0,0|1,0,0]=3 4355 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000070787_100000755608 [0,2,0,0,0,0|1,0,0]=3 4356 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200000210301 [0,2,0,0,0,0|1,0,0]=3 4357 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000070787_100000243222 [0,2,0,0,0,0|1,0,0]=3 4358 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200000210301 [0,2,0,0,0,0|1,0,0]=3 4359 B12R1.233 CC(=O)Cc1ccc(cc1Br)I 1458a_100000070787_100010146610 [0,2,0,0,0,0|1,0,0]=3 4360 B12R1.233 CC(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200000210301 [0,2,0,0,0,0|1,0,0]=3 4361 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000070787_100000708836 [0,2,0,0,0,0|1,0,0]=3 4362 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000697930_200000210301 [0,2,0,0,0,0|1,0,0]=3 4363 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100000070787_100011219618 [0,2,0,0,0,0|1,0,0]=3 4364 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100011236500_200000210301 [0,2,0,0,0,0|1,0,0]=3 4365 B12R1.233 CC(=O)Cc1ccc(cc1C)Cl 1458a_100000070787_100012361307 [0,2,0,0,0,0|1,0,0]=3 4366 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100000070787_100000700533 [0,2,0,0,0,0|1,0,0]=3 4367 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100011667441_200000210301 [0,2,0,0,0,0|1,0,0]=3 4368 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100000070787_100011740631 [0,2,0,0,0,0|1,0,0]=3 4369 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200000210301 [0,2,0,0,0,0|1,0,0]=3 4370 B12R1.233 CC(=O)Cc1ccc(cc1Cl)C 1458a_100000070787_100012349684 [0,2,0,0,0,0|1,0,0]=3 4371 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000070787_100000188473 [0,2,0,0,0,0|1,0,0]=3 4372 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200000210301 [0,2,0,0,0,0|1,0,0]=3 4373 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000070787_100011216360 [0,2,0,0,0,0|1,0,0]=3 4374 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200000210301 [0,2,0,0,0,0|1,0,0]=3 4375 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100000070787_100000211606 [0,2,0,0,0,0|1,0,0]=3 4376 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200000210301 [0,2,0,0,0,0|1,0,0]=3 4377 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000042674_200000210301 [0,2,0,0,0,0|1,0,0]=3 4378 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000070787_100012002367 [0,2,0,0,0,0|1,0,0]=3 4379 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100000070787_100000709361 [0,2,0,0,0,0|1,0,0]=3 4380 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200000210301 [0,2,0,0,0,0|1,0,0]=3 4381 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000070787_100000748237 [0,2,0,0,0,0|1,0,0]=3 4382 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000684719_200000210301 [0,2,0,0,0,0|1,0,0]=3 4383 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100000070787_100010244991 [0,2,0,0,0,0|1,0,0]=3 4384 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100010149628_200000210301 [0,2,0,0,0,0|1,0,0]=3 4385 B12R1.233 CC(=O)Cc1ccc(cc1F)O 1458a_100000090534_200000210301 [0,2,0,0,0,0|1,0,0]=3 4386 B12R1.233 CC(=O)Cc1ccc(cc1I)Br 1458a_100000070787_100010146615 [0,2,0,0,0,0|1,0,0]=3 4387 B12R1.233 CC(=O)Cc1ccc(cc1I)Cl 1458a_100000070787_100010254388 [0,2,0,0,0,0|1,0,0]=3 4388 B12R1.233 CC(=O)Cc1ccc(cc1I)F 1458a_100000070787_100012354799 [0,2,0,0,0,0|1,0,0]=3 4389 B12R1.233 CC(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200000210301 [0,2,0,0,0,0|1,0,0]=3 4390 B12R1.233 CC(=O)Cc1ccc(nc1Br)C 1458a_100000070787_200010064658 [0,2,0,0,0,0|2,0,0]=4 4391 B12R1.233 CC(=O)Cc1ccc(nc1Cl)Cl 1458a_100000070787_100000722033 [0,2,0,0,0,0|2,0,0]=4 4392 B12R1.233 CC(=O)Cc1ccc(nc1Cl)Cl 1458a_200010067290_200000210301 [0,2,0,0,0,0|2,0,0]=4 4393 B12R1.233 CC(=O)Cc1cnc(cc1C)F 1458a_100000070787_100010382440 [0,2,0,0,0,0|2,0,0]=4 4394 B12R1.233 CC(=O)Cc1cnc(cc1Cl)Cl 1458a_100000070787_100011997056 [0,2,0,0,0,0|2,0,0]=4 4395 B12R1.233 CC(=O)Cc1ncc(cc1Br)Cl 1458a_200012351915_200000210301 [0,2,0,0,0,0|2,0,0]=4 4396 B12R1.233 CC(=O)Cc1ncc(cc1C)C 1458a_100000070787_100016990036 [0,2,0,0,0,0|2,0,0]=4 4397 B12R1.233 CC(=O)Cc1ncc(cc1F)Br 1458a_100012351917_200000210301 [0,2,0,0,0,0|2,0,0]=4 4398 B12R1.233 CC(=O)Cc1ncc(cc1F)Cl 1458a_100000070787_200009879301 [0,2,0,0,0,0|2,0,0]=4 4399 B12R1.233 CC(=O)Cn1ccc(cc1=O)C 1458a_100000721392_200000210301 [0,2,0,0,0,0|2,0,0]=4 4400 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br 11a_100000211012_100015343762 [0,2,0,0,0,0|1,0,0]=3 4401 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br 1626a_100000211012_100015343762 [0,2,0,0,0,0|1,0,0]=3 4402 B12R1.233 CC(=O)Nc1ccc(cc1Br)C 11a_100000210942_100015343762 [0,2,0,0,0,0|1,0,0]=3 4403 B12R1.233 CC(=O)Nc1ccc(cc1Br)C 1626a_100000210942_100015343762 [0,2,0,0,0,0|1,0,0]=3 4404 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl 11a_100000752454_100015343762 [0,2,0,0,0,0|1,0,0]=3 4405 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl 1626a_100000752454_100015343762 [0,2,0,0,0,0|1,0,0]=3 4406 B12R1.233 CC(=O)Nc1ccc(cc1Br)F 11a_100000738039_100015343762 [0,2,0,0,0,0|1,0,0]=3 4407 B12R1.233 CC(=O)Nc1ccc(cc1Br)F 1626a_100000738039_100015343762 [0,2,0,0,0,0|1,0,0]=3 4408 B12R1.233 CC(=O)Nc1ccc(cc1Br)I 11a_100000750455_100015343762 [0,2,0,0,0,0|1,0,0]=3 4409 B12R1.233 CC(=O)Nc1ccc(cc1Br)I 1626a_100000750455_100015343762 [0,2,0,0,0,0|1,0,0]=3 4410 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 22a_100012001276_100000070787 [0,2,0,0,0,0|1,0,0]=3 4411 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 527a_100012001276_100103153847 [0,2,0,0,0,0|1,0,0]=3 4412 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 11a_100000211769_100015343762 [0,2,0,0,0,0|1,0,0]=3 4413 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 1626a_100000211769_100015343762 [0,2,0,0,0,0|1,0,0]=3 4414 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 22a_100000211769_100000070787 [0,2,0,0,0,0|1,0,0]=3 4415 B12R1.233 CC(=O)Nc1ccc(cc1C)C 11a_100000736561_100015343762 [0,2,0,0,0,0|1,0,0]=3 4416 B12R1.233 CC(=O)Nc1ccc(cc1C)C 1626a_100000736561_100015343762 [0,2,0,0,0,0|1,0,0]=3 4417 B12R1.233 CC(=O)Nc1ccc(cc1C)C 22a_100000736561_100000070787 [0,2,0,0,0,0|1,0,0]=3 4418 B12R1.233 CC(=O)Nc1ccc(cc1C)C 527a_100000736561_100103153847 [0,2,0,0,0,0|1,0,0]=3 4419 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 11a_100000210418_100015343762 [0,2,0,0,0,0|1,0,0]=3 4420 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 1626a_100000210418_100015343762 [0,2,0,0,0,0|1,0,0]=3 4421 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 22a_100000210418_100000070787 [0,2,0,0,0,0|1,0,0]=3 4422 B12R1.233 CC(=O)Nc1ccc(cc1C)F 11a_100000211637_100015343762 [0,2,0,0,0,0|1,0,0]=3 4423 B12R1.233 CC(=O)Nc1ccc(cc1C)F 1626a_100000211637_100015343762 [0,2,0,0,0,0|1,0,0]=3 4424 B12R1.233 CC(=O)Nc1ccc(cc1C)F 22a_100000211637_100000070787 [0,2,0,0,0,0|1,0,0]=3 4425 B12R1.233 CC(=O)Nc1ccc(cc1C)F 527a_100000211637_100103153847 [0,2,0,0,0,0|1,0,0]=3 4426 B12R1.233 CC(=O)Nc1ccc(cc1C)I 11a_100000184554_100015343762 [0,2,0,0,0,0|1,0,0]=3 4427 B12R1.233 CC(=O)Nc1ccc(cc1C)I 1626a_100000184554_100015343762 [0,2,0,0,0,0|1,0,0]=3 4428 B12R1.233 CC(=O)Nc1ccc(cc1C)I 22a_100000184554_100000070787 [0,2,0,0,0,0|1,0,0]=3 4429 B12R1.233 CC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000070787 [0,2,0,0,0,0|1,0,0]=3 4430 B12R1.233 CC(=O)Nc1ccc(cc1C)O 271570a_203496583355_100000152120 [0,2,0,0,0,0|1,0,0]=3 4431 B12R1.233 CC(=O)Nc1ccc(cc1C)O 527a_100000756630_100103153847 [0,2,0,0,0,0|1,0,0]=3 4432 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br 11a_100000211467_100015343762 [0,2,0,0,0,0|1,0,0]=3 4433 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br 1626a_100000211467_100015343762 [0,2,0,0,0,0|1,0,0]=3 4434 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 11a_100000210522_100015343762 [0,2,0,0,0,0|1,0,0]=3 4435 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 1626a_100000210522_100015343762 [0,2,0,0,0,0|1,0,0]=3 4436 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 22a_100000210522_100000070787 [0,2,0,0,0,0|1,0,0]=3 4437 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 11a_100000185861_100015343762 [0,2,0,0,0,0|1,0,0]=3 4438 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 1626a_100000185861_100015343762 [0,2,0,0,0,0|1,0,0]=3 4439 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 22a_100000185861_100000070787 [0,2,0,0,0,0|1,0,0]=3 4440 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 11a_100000212003_100015343762 [0,2,0,0,0,0|1,0,0]=3 4441 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 1626a_100000212003_100015343762 [0,2,0,0,0,0|1,0,0]=3 4442 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 22a_100000212003_100000070787 [0,2,0,0,0,0|1,0,0]=3 4443 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 11a_100011218065_100015343762 [0,2,0,0,0,0|1,0,0]=3 4444 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 1626a_100011218065_100015343762 [0,2,0,0,0,0|1,0,0]=3 4445 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 22a_100011218065_100000070787 [0,2,0,0,0,0|1,0,0]=3 4446 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100000070787 [0,2,0,0,0,0|1,0,0]=3 4447 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 271570a_203496583355_100011273303 [0,2,0,0,0,0|1,0,0]=3 4448 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 527a_100011215599_100103153847 [0,2,0,0,0,0|1,0,0]=3 4449 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 11a_100000210722_100015343762 [0,2,0,0,0,0|1,0,0]=3 4450 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 1626a_100000210722_100015343762 [0,2,0,0,0,0|1,0,0]=3 4451 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 22a_100000210722_100000070787 [0,2,0,0,0,0|1,0,0]=3 4452 B12R1.233 CC(=O)Nc1ccc(cc1F)C 11a_100000211023_100015343762 [0,2,0,0,0,0|1,0,0]=3 4453 B12R1.233 CC(=O)Nc1ccc(cc1F)C 1626a_100000211023_100015343762 [0,2,0,0,0,0|1,0,0]=3 4454 B12R1.233 CC(=O)Nc1ccc(cc1F)C 22a_100000211023_100000070787 [0,2,0,0,0,0|1,0,0]=3 4455 B12R1.233 CC(=O)Nc1ccc(cc1F)C 527a_100000211023_100103153847 [0,2,0,0,0,0|1,0,0]=3 4456 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 11a_100000211020_100015343762 [0,2,0,0,0,0|1,0,0]=3 4457 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 1626a_100000211020_100015343762 [0,2,0,0,0,0|1,0,0]=3 4458 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 22a_100000211020_100000070787 [0,2,0,0,0,0|1,0,0]=3 4459 B12R1.233 CC(=O)Nc1ccc(cc1F)F 11a_100000210720_100015343762 [0,2,0,0,0,0|1,0,0]=3 4460 B12R1.233 CC(=O)Nc1ccc(cc1F)F 1626a_100000210720_100015343762 [0,2,0,0,0,0|1,0,0]=3 4461 B12R1.233 CC(=O)Nc1ccc(cc1F)F 22a_100000210720_100000070787 [0,2,0,0,0,0|1,0,0]=3 4462 B12R1.233 CC(=O)Nc1ccc(cc1F)I 11a_100011215594_100015343762 [0,2,0,0,0,0|1,0,0]=3 4463 B12R1.233 CC(=O)Nc1ccc(cc1F)I 1626a_100011215594_100015343762 [0,2,0,0,0,0|1,0,0]=3 4464 B12R1.233 CC(=O)Nc1ccc(cc1F)I 22a_100011215594_100000070787 [0,2,0,0,0,0|1,0,0]=3 4465 B12R1.233 CC(=O)Nc1ccc(cc1F)O 22a_100000759473_100000070787 [0,2,0,0,0,0|1,0,0]=3 4466 B12R1.233 CC(=O)Nc1ccc(cc1F)O 271570a_203496583355_100000155584 [0,2,0,0,0,0|1,0,0]=3 4467 B12R1.233 CC(=O)Nc1ccc(cc1F)O 527a_100000759473_100103153847 [0,2,0,0,0,0|1,0,0]=3 4468 B12R1.233 CC(=O)Nc1ccc(cc1I)Br 11a_100000187925_100015343762 [0,2,0,0,0,0|1,0,0]=3 4469 B12R1.233 CC(=O)Nc1ccc(cc1I)Br 1626a_100000187925_100015343762 [0,2,0,0,0,0|1,0,0]=3 4470 B12R1.233 CC(=O)Nc1ccc(cc1I)C 11a_100011356834_100015343762 [0,2,0,0,0,0|1,0,0]=3 4471 B12R1.233 CC(=O)Nc1ccc(cc1I)C 1626a_100011356834_100015343762 [0,2,0,0,0,0|1,0,0]=3 4472 B12R1.233 CC(=O)Nc1ccc(cc1I)Cl 11a_100000761889_100015343762 [0,2,0,0,0,0|1,0,0]=3 4473 B12R1.233 CC(=O)Nc1ccc(cc1I)Cl 1626a_100000761889_100015343762 [0,2,0,0,0,0|1,0,0]=3 4474 B12R1.233 CC(=O)Nc1ccc(cc1I)F 11a_100000760547_100015343762 [0,2,0,0,0,0|1,0,0]=3 4475 B12R1.233 CC(=O)Nc1ccc(cc1I)F 1626a_100000760547_100015343762 [0,2,0,0,0,0|1,0,0]=3 4476 B12R1.233 CC(=O)Nc1ccc(cc1I)F 22a_100000760547_100000070787 [0,2,0,0,0,0|1,0,0]=3 4477 B12R1.233 CC(=O)Nc1ccc(cc1I)I 11a_100010002754_100015343762 [0,2,0,0,0,0|1,0,0]=3 4478 B12R1.233 CC(=O)Nc1ccc(cc1I)I 1626a_100010002754_100015343762 [0,2,0,0,0,0|1,0,0]=3 4479 B12R1.233 CC(=O)Nc1ccc(cc1I)O 22a_100010084370_100000070787 [0,2,0,0,0,0|1,0,0]=3 4480 B12R1.233 CC(=O)Nc1ccc(cc1I)O 527a_100010084370_100103153847 [0,2,0,0,0,0|1,0,0]=3 4481 B12R1.233 CC(=O)Nc1ccc(cc1N)O 271570a_203496583355_100000749274 [0,2,0,0,0,0|1,0,0]=3 4482 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 22a_100000739049_100000070787 [0,2,0,0,0,0|1,0,0]=3 4483 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 271570a_203496583355_100009813020 [0,2,0,0,0,0|1,0,0]=3 4484 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 527a_100000739049_100103153847 [0,2,0,0,0,0|1,0,0]=3 4485 B12R1.233 CC(=O)Nc1ccc(cc1O)C 22a_100000211527_100000070787 [0,2,0,0,0,0|1,0,0]=3 4486 B12R1.233 CC(=O)Nc1ccc(cc1O)C 271570a_203496583355_100000152032 [0,2,0,0,0,0|1,0,0]=3 4487 B12R1.233 CC(=O)Nc1ccc(cc1O)C 527a_100000211527_100103153847 [0,2,0,0,0,0|1,0,0]=3 4488 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100000070787 [0,2,0,0,0,0|1,0,0]=3 4489 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 527a_100000185728_100103153847 [0,2,0,0,0,0|1,0,0]=3 4490 B12R1.233 CC(=O)Nc1ccc(cc1O)F 22a_100000753323_100000070787 [0,2,0,0,0,0|1,0,0]=3 4491 B12R1.233 CC(=O)Nc1ccc(cc1O)F 271570a_203496583355_100011215554 [0,2,0,0,0,0|1,0,0]=3 4492 B12R1.233 CC(=O)Nc1ccc(cc1O)F 527a_100000753323_100103153847 [0,2,0,0,0,0|1,0,0]=3 4493 B12R1.233 CC(=O)Nc1ccc(cc1O)I 22a_100000057187_100000070787 [0,2,0,0,0,0|1,0,0]=3 4494 B12R1.233 CC(=O)Nc1ccc(cc1O)I 527a_100000057187_100103153847 [0,2,0,0,0,0|1,0,0]=3 4495 B12R1.233 CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000070787 [0,2,0,0,0,0|1,0,0]=3 4496 B12R1.233 CC(=O)Nc1ccc(cc1O)O 527a_100000106777_100103153847 [0,2,0,0,0,0|1,0,0]=3 4497 B12R1.233 CC(=O)Nc1ncc(cc1C)O 271570a_203496583355_200011934169 [0,2,0,0,0,0|2,0,0]=4 4498 B12R1.233 CC(=O)Nc1ncc(cc1O)C 271570a_203496583355_200009816786 [0,2,0,0,0,0|2,0,0]=4 4499 B12R1.233 CC(=O)Oc1ccc(cc1F)O 271570a_203496583355_100009811628 [0,2,0,0,0,0|0,0,0]=2 4500 B12R1.233 CC(C)Oc1ccc(cc1Br)Br 34a_100000188717_100000210206 [0,2,0,0,0,0|1,0,1]=4 4501 B12R1.233 CC(C)Oc1ccc(cc1Br)Br 7a_100000188717_100000210206 [0,2,0,0,0,0|1,0,1]=4 4502 B12R1.233 CC(C)Oc1ccc(cc1Br)Cl 34a_100000211998_100000210206 [0,2,0,0,0,0|1,0,1]=4 4503 B12R1.233 CC(C)Oc1ccc(cc1Br)Cl 7a_100000211998_100000210206 [0,2,0,0,0,0|1,0,1]=4 4504 B12R1.233 CC(C)Oc1ccc(cc1Br)F 34a_100000211999_100000210206 [0,2,0,0,0,0|1,0,1]=4 4505 B12R1.233 CC(C)Oc1ccc(cc1Br)F 7a_100000211999_100000210206 [0,2,0,0,0,0|1,0,1]=4 4506 B12R1.233 CC(C)Oc1ccc(cc1Br)I 34a_100012361655_100000210206 [0,2,0,0,0,0|1,0,1]=4 4507 B12R1.233 CC(C)Oc1ccc(cc1Br)I 7a_100012361655_100000210206 [0,2,0,0,0,0|1,0,1]=4 4508 B12R1.233 CC(C)Oc1ccc(cc1Br)N 34a_100011534360_100000210206 [0,2,0,0,0,0|1,0,1]=4 4509 B12R1.233 CC(C)Oc1ccc(cc1Br)N 7a_100011534360_100000210206 [0,2,0,0,0,0|1,0,1]=4 4510 B12R1.233 CC(C)Oc1ccc(cc1Cl)Br 34a_100000186472_100000210206 [0,2,0,0,0,0|1,0,1]=4 4511 B12R1.233 CC(C)Oc1ccc(cc1Cl)Br 7a_100000186472_100000210206 [0,2,0,0,0,0|1,0,1]=4 4512 B12R1.233 CC(C)Oc1ccc(cc1Cl)Cl 34a_100015191787_100000210206 [0,2,0,0,0,0|1,0,1]=4 4513 B12R1.233 CC(C)Oc1ccc(cc1Cl)Cl 7a_100015191787_100000210206 [0,2,0,0,0,0|1,0,1]=4 4514 B12R1.233 CC(C)Oc1ccc(cc1Cl)F 34a_100000212004_100000210206 [0,2,0,0,0,0|1,0,1]=4 4515 B12R1.233 CC(C)Oc1ccc(cc1Cl)F 7a_100000212004_100000210206 [0,2,0,0,0,0|1,0,1]=4 4516 B12R1.233 CC(C)Oc1ccc(cc1Cl)I 34a_100012360047_100000210206 [0,2,0,0,0,0|1,0,1]=4 4517 B12R1.233 CC(C)Oc1ccc(cc1Cl)I 7a_100012360047_100000210206 [0,2,0,0,0,0|1,0,1]=4 4518 B12R1.233 CC(C)Oc1ccc(cc1Cl)N 34a_100000744943_100000210206 [0,2,0,0,0,0|1,0,1]=4 4519 B12R1.233 CC(C)Oc1ccc(cc1Cl)N 7a_100000744943_100000210206 [0,2,0,0,0,0|1,0,1]=4 4520 B12R1.233 CC(C)Oc1ccc(cc1F)Br 34a_100000185481_100000210206 [0,2,0,0,0,0|1,0,1]=4 4521 B12R1.233 CC(C)Oc1ccc(cc1F)Br 7a_100000185481_100000210206 [0,2,0,0,0,0|1,0,1]=4 4522 B12R1.233 CC(C)Oc1ccc(cc1F)Cl 34a_100000230166_100000210206 [0,2,0,0,0,0|1,0,1]=4 4523 B12R1.233 CC(C)Oc1ccc(cc1F)Cl 7a_100000230166_100000210206 [0,2,0,0,0,0|1,0,1]=4 4524 B12R1.233 CC(C)Oc1ccc(cc1F)F 34a_100000230127_100000210206 [0,2,0,0,0,0|1,0,1]=4 4525 B12R1.233 CC(C)Oc1ccc(cc1F)F 7a_100000230127_100000210206 [0,2,0,0,0,0|1,0,1]=4 4526 B12R1.233 CC(C)Oc1ccc(cc1F)I 34a_100011356965_100000210206 [0,2,0,0,0,0|1,0,1]=4 4527 B12R1.233 CC(C)Oc1ccc(cc1F)I 7a_100011356965_100000210206 [0,2,0,0,0,0|1,0,1]=4 4528 B12R1.233 CC(C)Oc1ccc(cc1F)N 34a_100011220035_100000210206 [0,2,0,0,0,0|1,0,1]=4 4529 B12R1.233 CC(C)Oc1ccc(cc1F)N 7a_100011220035_100000210206 [0,2,0,0,0,0|1,0,1]=4 4530 B12R1.233 CC(C)Oc1ccc(cc1F)O 271570a_203496583355_100009811877 [0,2,0,0,0,0|1,0,1]=4 4531 B12R1.233 CC(C)Oc1ccc(cc1I)Br 34a_100012355227_100000210206 [0,2,0,0,0,0|1,0,1]=4 4532 B12R1.233 CC(C)Oc1ccc(cc1I)Br 7a_100012355227_100000210206 [0,2,0,0,0,0|1,0,1]=4 4533 B12R1.233 CC(C)Oc1ccc(cc1I)Cl 34a_100011356953_100000210206 [0,2,0,0,0,0|1,0,1]=4 4534 B12R1.233 CC(C)Oc1ccc(cc1I)Cl 7a_100011356953_100000210206 [0,2,0,0,0,0|1,0,1]=4 4535 B12R1.233 CC(C)Oc1ccc(cc1I)F 34a_100012355409_100000210206 [0,2,0,0,0,0|1,0,1]=4 4536 B12R1.233 CC(C)Oc1ccc(cc1I)F 7a_100012355409_100000210206 [0,2,0,0,0,0|1,0,1]=4 4537 B12R1.233 CC(C)Oc1ccc(cc1I)I 7a_100010001573_100000210206 [0,2,0,0,0,0|1,0,1]=4 4538 B12R1.233 CC(C)Oc1ccc(cc1N)Br 34a_100000752626_100000210206 [0,2,0,0,0,0|1,0,1]=4 4539 B12R1.233 CC(C)Oc1ccc(cc1N)Br 7a_100000752626_100000210206 [0,2,0,0,0,0|1,0,1]=4 4540 B12R1.233 CC(C)Oc1ccc(cc1N)Cl 34a_100000210500_100000210206 [0,2,0,0,0,0|1,0,1]=4 4541 B12R1.233 CC(C)Oc1ccc(cc1N)Cl 7a_100000210500_100000210206 [0,2,0,0,0,0|1,0,1]=4 4542 B12R1.233 CC(C)Oc1ccc(cc1N)F 34a_100000759472_100000210206 [0,2,0,0,0,0|1,0,1]=4 4543 B12R1.233 CC(C)Oc1ccc(cc1N)F 7a_100000759472_100000210206 [0,2,0,0,0,0|1,0,1]=4 4544 B12R1.233 CC(C)Oc1ccc(cc1N)I 34a_100000753495_100000210206 [0,2,0,0,0,0|1,0,1]=4 4545 B12R1.233 CC(C)Oc1ccc(cc1N)I 7a_100000753495_100000210206 [0,2,0,0,0,0|1,0,1]=4 4546 B12R1.233 CC(C)Oc1ccc(cc1N)N 34a_100000725306_100000210206 [0,2,0,0,0,0|1,0,1]=4 4547 B12R1.233 CC(C)Oc1ccc(cc1N)O 271570a_203496583355_100000690130 [0,2,0,0,0,0|1,0,1]=4 4548 B12R1.233 CC(C)Oc1ccc(cc1O)F 271570a_203496583355_100000171696 [0,2,0,0,0,0|1,0,1]=4 4549 B12R1.233 CC(C)Oc1ccc(cc1O)N 271570a_203496583355_200000706018 [0,2,0,0,0,0|1,0,1]=4 4550 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])Br 1458a_100000697930_200025704644 [0,2,0,0,0,0|1,0,0]=3 4551 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])F 1458a_100011667441_200025704644 [0,2,0,0,0,0|1,0,0]=3 4552 B12R1.233 Cc1cc(ccc1OC(C)C)Br 34a_100000186361_100000210206 [0,2,0,0,0,0|1,0,1]=4 4553 B12R1.233 Cc1cc(ccc1OC(C)C)Br 7a_100000186361_100000210206 [0,2,0,0,0,0|1,0,1]=4 4554 B12R1.233 Cc1cc(ccc1OC(C)C)Cl 34a_100000211091_100000210206 [0,2,0,0,0,0|1,0,1]=4 4555 B12R1.233 Cc1cc(ccc1OC(C)C)Cl 7a_100000211091_100000210206 [0,2,0,0,0,0|1,0,1]=4 4556 B12R1.233 Cc1cc(ccc1OC(C)C)F 34a_100000764316_100000210206 [0,2,0,0,0,0|1,0,1]=4 4557 B12R1.233 Cc1cc(ccc1OC(C)C)F 7a_100000764316_100000210206 [0,2,0,0,0,0|1,0,1]=4 4558 B12R1.233 Cc1cc(ccc1OC(C)C)I 34a_100011218673_100000210206 [0,2,0,0,0,0|1,0,1]=4 4559 B12R1.233 Cc1cc(ccc1OC(C)C)I 7a_100011218673_100000210206 [0,2,0,0,0,0|1,0,1]=4 4560 B12R1.233 Cc1cc(ccc1OC(C)C)N 34a_100011218179_100000210206 [0,2,0,0,0,0|1,0,1]=4 4561 B12R1.233 Cc1cc(ccc1OC(C)C)N 7a_100011218179_100000210206 [0,2,0,0,0,0|1,0,1]=4 4562 B12R1.233 Cc1cc(ccc1OC(C)C)O 271570a_203496583355_200011825982 [0,2,0,0,0,0|1,0,1]=4 4563 B12R1.233 Cc1ccc(c(c1)Br)OC(C)C 34a_100000210800_100000210206 [0,2,0,0,0,0|1,0,1]=4 4564 B12R1.233 Cc1ccc(c(c1)Br)OC(C)C 7a_100000210800_100000210206 [0,2,0,0,0,0|1,0,1]=4 4565 B12R1.233 Cc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011236500_200025704644 [0,2,0,0,0,0|1,0,0]=3 4566 B12R1.233 Cc1ccc(c(c1)C)OC(C)C 34a_100000211776_100000210206 [0,2,0,0,0,0|1,0,1]=4 4567 B12R1.233 Cc1ccc(c(c1)C)OC(C)C 7a_100000211776_100000210206 [0,2,0,0,0,0|1,0,1]=4 4568 B12R1.233 Cc1ccc(c(c1)Cl)OC(C)C 34a_100000749699_100000210206 [0,2,0,0,0,0|1,0,1]=4 4569 B12R1.233 Cc1ccc(c(c1)Cl)OC(C)C 7a_100000749699_100000210206 [0,2,0,0,0,0|1,0,1]=4 4570 B12R1.233 Cc1ccc(c(c1)F)CC(=O)[13CH3] 1458a_100000042674_200025704644 [0,2,0,0,0,0|1,0,0]=3 4571 B12R1.233 Cc1ccc(c(c1)F)OC(C)C 34a_100011216688_100000210206 [0,2,0,0,0,0|1,0,1]=4 4572 B12R1.233 Cc1ccc(c(c1)F)OC(C)C 7a_100011216688_100000210206 [0,2,0,0,0,0|1,0,1]=4 4573 B12R1.233 Cc1ccc(c(c1)I)OC(C)C 34a_100000765521_100000210206 [0,2,0,0,0,0|1,0,1]=4 4574 B12R1.233 Cc1ccc(c(c1)I)OC(C)C 7a_100000765521_100000210206 [0,2,0,0,0,0|1,0,1]=4 4575 B12R1.233 Cc1ccc(c(c1)N)OC(C)C 34a_100011215204_100000210206 [0,2,0,0,0,0|1,0,1]=4 4576 B12R1.233 Cc1ccc(c(c1)N)OC(C)C 7a_100011215204_100000210206 [0,2,0,0,0,0|1,0,1]=4 4577 B12R1.233 Cc1ccn(c(=O)c1)CC(=O)[13CH3] 1458a_100000721392_200025704644 [0,2,0,0,0,0|2,0,0]=4 4578 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200025704644 [0,2,0,0,0,0|1,0,0]=3 4579 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200025704644 [0,2,0,0,0,0|1,0,0]=3 4580 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200025704644 [0,2,0,0,0,0|1,0,0]=3 4581 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200025704644 [0,2,0,0,0,0|1,0,0]=3 4582 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200025704644 [0,2,0,0,0,0|1,0,0]=3 4583 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200025704644 [0,2,0,0,0,0|1,0,0]=3 4584 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200025704644 [0,2,0,0,0,0|1,0,0]=3 4585 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200025704644 [0,2,0,0,0,0|1,0,0]=3 4586 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200025704644 [0,2,0,0,0,0|1,0,0]=3 4587 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)F 1458a_100000684719_200025704644 [0,2,0,0,0,0|1,0,0]=3 4588 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)I 1458a_100010149628_200025704644 [0,2,0,0,0,0|1,0,0]=3 4589 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)O 1458a_100000090534_200025704644 [0,2,0,0,0,0|1,0,0]=3 4590 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200025704644 [0,2,0,0,0,0|1,0,0]=3 4591 B12R1.233 [13CH3]C(=O)Cc1ccc(nc1Cl)Cl 1458a_200010067290_200025704644 [0,2,0,0,0,0|2,0,0]=4 4592 B12R1.233 [13CH3]C(=O)Cc1ncc(cc1Br)Cl 1458a_200012351915_200025704644 [0,2,0,0,0,0|2,0,0]=4 4593 B12R1.233 [13CH3]C(=O)Cc1ncc(cc1F)Br 1458a_100012351917_200025704644 [0,2,0,0,0,0|2,0,0]=4 4594 B12R1.34 C#CC(=O)C(C)c1ccccc1 1458a_100000211873_100000230085 [0,2,0,0,0,0|1,0,1]=4 4595 B12R1.34 C=C(C(=O)CC)c1ccccc1 1458a_100000065200_100000210202 [0,2,0,0,0,0|1,0,0]=3 4596 B12R1.34 C=C(C(=O)CF)c1ccccc1 1458a_100000065200_100015361967 [0,2,0,0,0,0|1,0,0]=3 4597 B12R1.34 C=C(C(=O)NC)c1ccccc1 1626a_100102657272_100000065200 [0,2,0,0,0,0|1,0,0]=3 4598 B12R1.34 C=CC(=O)C(C)c1ccccc1 1458a_100000185746_100000230085 [0,2,0,0,0,0|1,0,1]=4 4599 B12R1.34 C=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000185746 [0,2,0,0,0,0|1,0,1]=4 4600 B12R1.34 C=CC(=O)N(C)c1ccccc1 22a_100000210012_100000185746 [0,2,0,0,0,0|1,0,1]=4 4601 B12R1.34 CC(C(=O)CF)c1ccccn1 1458a_100000722050_100015361967 [0,2,0,0,0,0|2,0,0]=4 4602 B12R1.34 CC(C(=O)CO)c1ccccc1 1458a_100000210174_100000230085 [0,2,0,0,0,0|1,0,0]=3 4603 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [0,2,0,0,0,0|1,0,0]=3 4604 B12R1.34 CCC(=O)C(C)c1ccccn1 1458a_100000722050_100000210202 [0,2,0,0,0,0|2,0,0]=4 4605 B12R1.34 CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210202 [0,2,0,0,0,0|1,0,0]=3 4606 B12R1.34 CCC(=O)N(C)c1ccccc1 11a_100000210012_100000210414 [0,2,0,0,0,0|1,0,0]=3 4607 B12R1.34 CCC(=O)N(C)c1ccccc1 1626a_100000210012_100000210414 [0,2,0,0,0,0|1,0,0]=3 4608 B12R1.34 CCC(=O)N(C)c1ccccc1 22a_100000210012_100000210414 [0,2,0,0,0,0|1,0,0]=3 4609 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [0,2,0,0,0,0|1,0,0]=3 4610 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [0,2,0,0,0,0|1,0,0]=3 4611 B12R1.34 CN(C(=O)CO)c1ccccc1 22a_100000210012_100000210174 [0,2,0,0,0,0|1,0,0]=3 4612 B12R1.34 CNC(=O)C(C)c1ccccn1 11a_106832991635_100000722050 [0,2,0,0,0,0|2,0,0]=4 4613 B12R1.34 CNC(=O)C(C)c1ccccn1 1626a_100102657272_100000722050 [0,2,0,0,0,0|2,0,0]=4 4614 B12R1.34 CNC(=O)C(C)c1ccccn1 240690a_100102657272_100000722050 [0,2,0,0,0,0|2,0,0]=4 4615 B12R1.34 CNC(=O)C(C)c1ccccn1 527a_100102657272_100000722050 [0,2,0,0,0,0|2,0,0]=4 4616 B12R1.34 CNC(=O)C(F)c1ccccc1 11a_106832991635_100000698975 [0,2,0,0,0,0|1,0,0]=3 4617 B12R1.34 CNC(=O)C(F)c1ccccc1 1626a_100102657272_100000698975 [0,2,0,0,0,0|1,0,0]=3 4618 B12R1.34 CNC(=O)C(F)c1ccccc1 240690a_100102657272_100000698975 [0,2,0,0,0,0|1,0,0]=3 4619 B12R1.34 CNC(=O)C(F)c1ccccc1 527a_100102657272_100000698975 [0,2,0,0,0,0|1,0,0]=3 4620 B12R1.34 CNC(=O)N(C)c1ccccc1 512a_106832991638_100000210012 [0,2,0,0,0,0|1,0,0]=3 4621 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [0,2,0,0,0,0|1,0,0]=3 4622 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [0,2,0,0,0,0|1,0,0]=3 4623 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [0,2,0,0,0,0|1,0,0]=3 4624 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [0,2,0,0,0,0|1,0,0]=3 4625 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [0,2,0,0,0,0|1,0,0]=3 4626 B12R1.34 C[C@H](C(=O)CF)c1ccccc1 1458a_100000751047_100015361967 [0,2,0,0,0,0|1,0,0]=3 4627 B12R1.34 O=C(CF)C(F)c1ccccc1 1458a_100000698975_100015361967 [0,2,0,0,0,0|1,0,0]=3 4628 B12R1.34 O=C(CF)[C@H](O)c1ccccc1 1458a_100000684486_100015361967 [0,2,0,0,0,0|1,0,0]=3 4629 B12R1.124 CC(=C(C)c1ccccc1Br)C 271570a_200000049429_100000695589 [0,2,0,0,0,0|2,0,0]=4 4630 B12R1.124 CC(=C(C)c1ccccc1C)C 271570a_200000049429_100000210755 [0,2,0,0,0,0|2,0,0]=4 4631 B12R1.124 CC(=C(C)c1ccccc1Cl)C 271570a_200000049429_100000764095 [0,2,0,0,0,0|2,0,0]=4 4632 B12R1.124 CC(=C(C)c1ccccc1F)C 271570a_200000049429_100011215700 [0,2,0,0,0,0|2,0,0]=4 4633 B12R1.124 CC(=C(C)c1ccccc1N)C 271570a_200000049429_100000210017 [0,2,0,0,0,0|2,0,0]=4 4634 B12R1.124 CC(=C(C)c1ccccc1O)C 271570a_200000049429_100000739446 [0,2,0,0,0,0|2,0,0]=4 4635 B12R1.124 CC(=O)C(C)c1ccccc1Br 1458a_100012359601_200000210301 [0,2,0,0,0,0|1,0,0]=3 4636 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100000070787_100000181259 [0,2,0,0,0,0|1,0,0]=3 4637 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100011667492_200000210301 [0,2,0,0,0,0|1,0,0]=3 4638 B12R1.124 CC(=O)C(C)c1ccccc1F 1458a_100000070787_200000741388 [0,2,0,0,0,0|1,0,0]=3 4639 B12R1.124 CC(=O)C(O)c1ccccc1Br 1458a_200011356456_200000210301 [0,2,0,0,0,0|1,0,0]=3 4640 B12R1.124 CC(=O)C(O)c1ccccc1Cl 1458a_100011217820_200000210301 [0,2,0,0,0,0|1,0,0]=3 4641 B12R1.124 CC(=O)C(O)c1ccccc1F 1458a_100011219519_200000210301 [0,2,0,0,0,0|1,0,0]=3 4642 B12R1.124 CC(=O)N(C)c1ccccc1Br 11a_100020606079_100015343762 [0,2,0,0,0,0|1,0,0]=3 4643 B12R1.124 CC(=O)N(C)c1ccccc1Br 1626a_100020606079_100015343762 [0,2,0,0,0,0|1,0,0]=3 4644 B12R1.124 CC(=O)N(C)c1ccccc1C 11a_100000219699_100015343762 [0,2,0,0,0,0|1,0,0]=3 4645 B12R1.124 CC(=O)N(C)c1ccccc1C 1626a_100000219699_100015343762 [0,2,0,0,0,0|1,0,0]=3 4646 B12R1.124 CC(=O)N(C)c1ccccc1C 22a_100000219699_100000070787 [0,2,0,0,0,0|1,0,0]=3 4647 B12R1.124 CC(=O)N(C)c1ccccc1Cl 11a_100000219374_100015343762 [0,2,0,0,0,0|1,0,0]=3 4648 B12R1.124 CC(=O)N(C)c1ccccc1Cl 1626a_100000219374_100015343762 [0,2,0,0,0,0|1,0,0]=3 4649 B12R1.124 CC(=O)N(C)c1ccccc1F 11a_100000220357_100015343762 [0,2,0,0,0,0|1,0,0]=3 4650 B12R1.124 CC(=O)N(C)c1ccccc1F 1626a_100000220357_100015343762 [0,2,0,0,0,0|1,0,0]=3 4651 B12R1.124 CC(=O)N(C)c1ccccc1F 22a_100000220357_100000070787 [0,2,0,0,0,0|1,0,0]=3 4652 B12R1.124 CC(=O)N(C)c1ccccc1O 22a_100000033821_100000070787 [0,2,0,0,0,0|1,0,0]=3 4653 B12R1.124 CC(=O)N(C)c1ccccc1O 527a_100000033821_100103153847 [0,2,0,0,0,0|1,0,0]=3 4654 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Br 1458a_100012359601_200025704644 [0,2,0,0,0,0|1,0,0]=3 4655 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Cl 1458a_100011667492_200025704644 [0,2,0,0,0,0|1,0,0]=3 4656 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Br 1458a_200011356456_200025704644 [0,2,0,0,0,0|1,0,0]=3 4657 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Cl 1458a_100011217820_200025704644 [0,2,0,0,0,0|1,0,0]=3 4658 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1F 1458a_100011219519_200025704644 [0,2,0,0,0,0|1,0,0]=3 4659 B12R1.225 CC(=C(C)c1cccc(c1)Br)C 271570a_200000049429_100000691529 [0,2,0,0,0,0|2,0,0]=4 4660 B12R1.225 CC(=C(C)c1cccc(c1)C)C 271570a_200000049429_100011215228 [0,2,0,0,0,0|2,0,0]=4 4661 B12R1.225 CC(=C(C)c1cccc(c1)Cl)C 271570a_200000049429_100000699651 [0,2,0,0,0,0|2,0,0]=4 4662 B12R1.225 CC(=C(C)c1cccc(c1)F)C 271570a_200000049429_100000685547 [0,2,0,0,0,0|2,0,0]=4 4663 B12R1.225 CC(=C(C)c1cccc(c1)N)C 271570a_200000049429_100000210019 [0,2,0,0,0,0|2,0,0]=4 4664 B12R1.225 CC(=C(C)c1cccc(c1)O)C 271570a_200000049429_100000211634 [0,2,0,0,0,0|2,0,0]=4 4665 B12R1.225 CC(=C(C)c1cccc(c1)[S])C 271570a_200000049429_114929384022 [0,2,0,0,0,0|2,0,0]=4 4666 B12R1.225 CC(=O)C(C)c1cccc(c1)Br 1458a_100000722698_200000210301 [0,2,0,0,0,0|1,0,0]=3 4667 B12R1.225 CC(=O)C(C)c1cccc(c1)Cl 1458a_100000762818_200000210301 [0,2,0,0,0,0|1,0,0]=3 4668 B12R1.225 CC(=O)C(C)c1cccc(c1)F 1458a_100000762896_200000210301 [0,2,0,0,0,0|1,0,0]=3 4669 B12R1.225 CC(=O)C(O)c1cccc(c1)C 1458a_100011434945_200000210301 [0,2,0,0,0,0|1,0,0]=3 4670 B12R1.225 CC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200000210301 [0,2,0,0,0,0|1,0,0]=3 4671 B12R1.225 CC(=O)C(O)c1cccc(c1)F 1458a_100011434943_200000210301 [0,2,0,0,0,0|1,0,0]=3 4672 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 11a_100000219648_100015343762 [0,2,0,0,0,0|1,0,0]=3 4673 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 1626a_100000219648_100015343762 [0,2,0,0,0,0|1,0,0]=3 4674 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 22a_100000219648_100000070787 [0,2,0,0,0,0|1,0,0]=3 4675 B12R1.225 CC(=O)N(C)c1cccc(c1)Br 527a_100000219648_100103153847 [0,2,0,0,0,0|1,0,0]=3 4676 B12R1.225 CC(=O)N(C)c1cccc(c1)C 11a_100000219674_100015343762 [0,2,0,0,0,0|1,0,0]=3 4677 B12R1.225 CC(=O)N(C)c1cccc(c1)C 1626a_100000219674_100015343762 [0,2,0,0,0,0|1,0,0]=3 4678 B12R1.225 CC(=O)N(C)c1cccc(c1)C 22a_100000219674_100000070787 [0,2,0,0,0,0|1,0,0]=3 4679 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 11a_100000220044_100015343762 [0,2,0,0,0,0|1,0,0]=3 4680 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 1626a_100000220044_100015343762 [0,2,0,0,0,0|1,0,0]=3 4681 B12R1.225 CC(=O)N(C)c1cccc(c1)Cl 22a_100000220044_100000070787 [0,2,0,0,0,0|1,0,0]=3 4682 B12R1.225 CC(=O)N(C)c1cccc(c1)F 11a_100020633736_100015343762 [0,2,0,0,0,0|1,0,0]=3 4683 B12R1.225 CC(=O)N(C)c1cccc(c1)F 1626a_100020633736_100015343762 [0,2,0,0,0,0|1,0,0]=3 4684 B12R1.225 CC(=O)N(C)c1cccc(c1)F 22a_100020633736_100000070787 [0,2,0,0,0,0|1,0,0]=3 4685 B12R1.225 CC(=O)N(C)c1cccc(c1)I 11a_100000221217_100015343762 [0,2,0,0,0,0|1,0,0]=3 4686 B12R1.225 CC(=O)N(C)c1cccc(c1)I 1626a_100000221217_100015343762 [0,2,0,0,0,0|1,0,0]=3 4687 B12R1.225 CC(=O)N(C)c1cccc(c1)I 22a_100000221217_100000070787 [0,2,0,0,0,0|1,0,0]=3 4688 B12R1.225 CC(=O)N(C)c1cccc(c1)O 527a_100000756613_100103153847 [0,2,0,0,0,0|1,0,0]=3 4689 B12R1.225 CC(=O)[C@H](C)c1cccc(c1)C 1458a_200009911544_200000210301 [0,2,0,0,0,0|1,0,0]=3 4690 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Br 1458a_100000722698_200025704644 [0,2,0,0,0,0|1,0,0]=3 4691 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Cl 1458a_100000762818_200025704644 [0,2,0,0,0,0|1,0,0]=3 4692 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)F 1458a_100000762896_200025704644 [0,2,0,0,0,0|1,0,0]=3 4693 B12R1.225 Cc1cccc(c1)C(O)C(=O)[13CH3] 1458a_100011434945_200025704644 [0,2,0,0,0,0|1,0,0]=3 4694 B12R1.225 Cc1cccc(c1)[C@@H](C)C(=O)[13CH3] 1458a_200009911544_200025704644 [0,2,0,0,0,0|1,0,0]=3 4695 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200025704644 [0,2,0,0,0,0|1,0,0]=3 4696 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)F 1458a_100011434943_200025704644 [0,2,0,0,0,0|1,0,0]=3 4697 B12R1.253 CC(=O)C(C)(C)c1ccccc1 1458a_100000070787_100000034625 [0,2,0,0,0,0|1,0,0]=3 4698 B12R1.253 CC(=O)C(C)(C)c1ccccc1 1458a_100000211857_200000210301 [0,2,0,0,0,0|1,0,0]=3 4699 B12R1.253 CC(=O)C(F)(F)c1ccccc1 1458a_100000070787_100000036403 [0,2,0,0,0,0|1,0,0]=3 4700 B12R1.253 CC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_200000210301 [0,2,0,0,0,0|1,0,0]=3 4701 B12R1.253 CC(C)(C(=O)[13CH3])c1ccccc1 1458a_100000211857_200025704644 [0,2,0,0,0,0|1,0,0]=3 4702 B12R1.253 C[C@](O)(C(=O)[13CH3])c1ccccc1 1458a_100000753667_200025704644 [0,2,0,0,0,0|1,0,0]=3 4703 B12R1.478 C=C(C)C(OC)c1ccccc1 34a_200011216824_200000210301 [0,2,0,0,0,0|2,0,0]=4 4704 B12R1.478 C=C(C)C(OC)c1ccccc1 7a_200011216824_200000210301 [0,2,0,0,0,0|2,0,0]=4 4705 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 34a_200011216824_200025704644 [0,2,0,0,0,0|2,0,0]=4 4706 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 7a_200011216824_200025704644 [0,2,0,0,0,0|2,0,0]=4 4707 B12R1.478 CC(=O)C(CO)c1ccccc1 1458a_100011218805_200000210301 [0,2,0,0,0,0|1,0,0]=3 4708 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_100009888967_200025704644 [0,2,0,0,0,0|1,0,0]=3 4709 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100009888967 [0,2,0,0,0,0|1,0,0]=3 4710 B12R1.478 CCC(C(=O)C)c1ccccc1 1458a_100000211302_200000210301 [0,2,0,0,0,0|1,0,0]=3 4711 B12R1.478 CCC(C(=O)[13CH3])c1ccccc1 1458a_100000211302_200025704644 [0,2,0,0,0,0|1,0,0]=3 4712 B12R1.478 CCN(C(=O)C)c1ccccc1 11a_100000210013_100015343762 [0,2,0,0,0,0|1,0,0]=3 4713 B12R1.478 CCN(C(=O)C)c1ccccc1 1626a_100000210013_100015343762 [0,2,0,0,0,0|1,0,0]=3 4714 B12R1.478 CCN(C(=O)C)c1ccccc1 22a_100000210013_100000070787 [0,2,0,0,0,0|1,0,0]=3 4715 B12R1.478 CNC(C(=O)C)c1ccccc1 2230a_106832991635_100009888967 [0,2,0,0,0,0|1,0,0]=3 4716 B12R1.478 CNC(C(=O)C)c1ccccc1 7a_106832991635_100009888967 [0,2,0,0,0,0|1,0,0]=3 4717 B12R1.478 CNC(C(=O)N)c1ccccc1 2230a_106832991635_100000188848 [0,2,0,0,0,0|2,0,0]=4 4718 B12R1.478 CNC(C(=O)N)c1ccccc1 7a_106832991635_100000188848 [0,2,0,0,0,0|2,0,0]=4 4719 B12R1.478 CNC(C(=O)O)c1ccccc1 269956a_100000230147_200000210301 [0,2,0,0,0,0|2,0,0]=4 4720 B12R1.478 CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200000210301 [0,2,0,0,0,0|2,0,0]=4 4721 B12R1.478 COC(C(=O)N)c1ccccc1 34a_100011200849_200000210301 [0,2,0,0,0,0|2,0,0]=4 4722 B12R1.478 COC(C(=O)N)c1ccccc1 7a_100011200849_200000210301 [0,2,0,0,0,0|2,0,0]=4 4723 B12R1.478 CO[C@@H](C(=O)C)c1ccccc1 1458a_100000698336_200000210301 [0,2,0,0,0,0|1,0,0]=3 4724 B12R1.478 CO[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100000698336_200025704644 [0,2,0,0,0,0|1,0,0]=3 4725 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_100009888967_200000210301 [0,2,0,0,0,0|1,0,0]=3 4726 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_200000210301_100009888967 [0,2,0,0,0,0|1,0,0]=3 4727 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_100000188848_200000210301 [0,2,0,0,0,0|2,0,0]=4 4728 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_200000210301_100000188848 [0,2,0,0,0,0|2,0,0]=4 4729 B12R1.478 [13CH3]C(=O)C(CO)c1ccccc1 1458a_100011218805_200025704644 [0,2,0,0,0,0|1,0,0]=3 4730 B12R1.478 [13CH3]NC(C(=O)O)c1ccccc1 269956a_100000230147_200025704644 [0,2,0,0,0,0|2,0,0]=4 4731 B12R1.478 [13CH3]N[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200025704644 [0,2,0,0,0,0|2,0,0]=4 4732 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 34a_100011200849_200025704644 [0,2,0,0,0,0|2,0,0]=4 4733 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 7a_100011200849_200025704644 [0,2,0,0,0,0|2,0,0]=4 4734 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_100000188848_200025704644 [0,2,0,0,0,0|2,0,0]=4 4735 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_200025704644_100000188848 [0,2,0,0,0,0|2,0,0]=4 4736 B12R1.32 C#CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000184674 [0,2,0,0,0,0|2,0,0]=4 4737 B12R1.32 C#CCC(=O)Cc1ccccc1 1458a_100011220946_100015291786 [0,2,0,0,0,0|1,0,0]=3 4738 B12R1.32 C#CCC(=O)Cc1ccccn1 1458a_100000233486_100000184674 [0,2,0,0,0,0|2,0,0]=4 4739 B12R1.32 C#CCC(=O)Cc1ccccn1 1458a_100011220946_100000721315 [0,2,0,0,0,0|2,0,0]=4 4740 B12R1.32 C#CCC(=O)Cc1cccnc1 1458a_100000737805_100000184674 [0,2,0,0,0,0|2,0,0]=4 4741 B12R1.32 C#CCC(=O)Cc1cccnc1 1458a_100011220946_100000733263 [0,2,0,0,0,0|2,0,0]=4 4742 B12R1.32 C#CCC(=O)Cc1ccncc1 1458a_100011220946_100000705612 [0,2,0,0,0,0|2,0,0]=4 4743 B12R1.32 C#CCC(=O)Nc1ccccc1 1626a_100000106764_100011220946 [0,2,0,0,0,0|1,0,0]=3 4744 B12R1.32 C#CCC(=O)Nc1ccccc1 527a_100000106764_100011220946 [0,2,0,0,0,0|1,0,0]=3 4745 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 34a_200025717232_200025704644 [0,2,0,0,0,0|1,0,1]=4 4746 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 7a_200025717232_200025704644 [0,2,0,0,0,0|1,0,1]=4 4747 B12R1.32 C=CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210623 [0,2,0,0,0,0|2,0,0]=4 4748 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [0,2,0,0,0,0|1,0,0]=3 4749 B12R1.32 C=CCC(=O)Cc1ccccn1 1458a_100000210193_100000721315 [0,2,0,0,0,0|2,0,0]=4 4750 B12R1.32 C=CCC(=O)Cc1ccccn1 1458a_100000233486_100000210623 [0,2,0,0,0,0|2,0,0]=4 4751 B12R1.32 C=CCC(=O)Cc1cccnc1 1458a_100000210193_100000733263 [0,2,0,0,0,0|2,0,0]=4 4752 B12R1.32 C=CCC(=O)Cc1cccnc1 1458a_100000737805_100000210623 [0,2,0,0,0,0|2,0,0]=4 4753 B12R1.32 C=CCC(=O)Cc1ccncc1 1458a_100000210193_100000705612 [0,2,0,0,0,0|2,0,0]=4 4754 B12R1.32 C=CCC(=O)Nc1ccccc1 11a_100000106764_100000210193 [0,2,0,0,0,0|1,0,0]=3 4755 B12R1.32 C=CCC(=O)Nc1ccccc1 1626a_100000106764_100000210193 [0,2,0,0,0,0|1,0,0]=3 4756 B12R1.32 C=CCC(=O)Nc1ccccc1 22a_100000106764_100000210193 [0,2,0,0,0,0|1,0,0]=3 4757 B12R1.32 C=CCC(=O)Nc1ccccc1 527a_100000106764_100000210193 [0,2,0,0,0,0|1,0,0]=3 4758 B12R1.32 CC#CC(=O)Cc1ccccc1 1458a_100000763181_100015291786 [0,2,0,0,0,0|1,0,0]=3 4759 B12R1.32 CC#CC(=O)Cc1ccccn1 1458a_100000763181_100000721315 [0,2,0,0,0,0|2,0,0]=4 4760 B12R1.32 CC#CC(=O)Cc1cccnc1 1458a_100000763181_100000733263 [0,2,0,0,0,0|2,0,0]=4 4761 B12R1.32 CC#CC(=O)Cc1ccncc1 1458a_100000763181_100000705612 [0,2,0,0,0,0|2,0,0]=4 4762 B12R1.32 CC#CC(=O)Nc1ccccc1 22a_100000106764_100000763181 [0,2,0,0,0,0|1,0,0]=3 4763 B12R1.32 CC(CC#N)Oc1ccccc1 7a_100000210340_100009813641 [0,2,0,0,0,0|1,0,1]=4 4764 B12R1.32 CC(CCO)Oc1ccccc1 34a_100000210340_100009893172 [0,2,0,0,0,0|0,0,2]=4 4765 B12R1.32 CC(CCO)Oc1ccccc1 7a_100000210340_100009893172 [0,2,0,0,0,0|0,0,2]=4 4766 B12R1.32 CC(CN[13CH3])Oc1ccccc1 2230a_100000755676_200025704644 [0,2,0,0,0,0|1,0,1]=4 4767 B12R1.32 CC(CN[13CH3])Oc1ccccc1 34a_100000755676_200025704644 [0,2,0,0,0,0|1,0,1]=4 4768 B12R1.32 CC(CO[13CH3])Oc1ccccc1 34a_200000036796_200025704644 [0,2,0,0,0,0|0,0,2]=4 4769 B12R1.32 CC(CO[13CH3])Oc1ccccc1 7a_200000036796_200025704644 [0,2,0,0,0,0|0,0,2]=4 4770 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [0,2,0,0,0,0|1,0,0]=3 4771 B12R1.32 CC=CC(=O)Cc1ccccn1 1458a_100000210699_100000721315 [0,2,0,0,0,0|2,0,0]=4 4772 B12R1.32 CC=CC(=O)Cc1cccnc1 1458a_100000210699_100000733263 [0,2,0,0,0,0|2,0,0]=4 4773 B12R1.32 CC=CC(=O)Cc1ccncc1 1458a_100000210699_100000705612 [0,2,0,0,0,0|2,0,0]=4 4774 B12R1.32 CC=CC(=O)Nc1ccccc1 11a_100000106764_100000210699 [0,2,0,0,0,0|1,0,0]=3 4775 B12R1.32 CC=CC(=O)Nc1ccccc1 1626a_100000106764_100000210699 [0,2,0,0,0,0|1,0,0]=3 4776 B12R1.32 CC=CC(=O)Nc1ccccc1 22a_100000106764_100000210699 [0,2,0,0,0,0|1,0,0]=3 4777 B12R1.32 CCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210303 [0,2,0,0,0,0|2,0,0]=4 4778 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [0,2,0,0,0,0|1,0,0]=3 4779 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000211992_100000721315 [0,2,0,0,0,0|2,0,0]=4 4780 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000233486_100000210303 [0,2,0,0,0,0|2,0,0]=4 4781 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000211992_100000733263 [0,2,0,0,0,0|2,0,0]=4 4782 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000737805_100000210303 [0,2,0,0,0,0|2,0,0]=4 4783 B12R1.32 CCCC(=O)Cc1ccncc1 1458a_100000211992_100000705612 [0,2,0,0,0,0|2,0,0]=4 4784 B12R1.32 CCCC(=O)Nc1ccccc1 11a_100000106764_100000211992 [0,2,0,0,0,0|1,0,0]=3 4785 B12R1.32 CCCC(=O)Nc1ccccc1 1626a_100000106764_100000211992 [0,2,0,0,0,0|1,0,0]=3 4786 B12R1.32 CCCC(=O)Nc1ccccc1 22a_100000106764_100000211992 [0,2,0,0,0,0|1,0,0]=3 4787 B12R1.32 CCCC(=O)Nc1ccccc1 527a_100000106764_100000211992 [0,2,0,0,0,0|1,0,0]=3 4788 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [0,2,0,0,0,0|1,0,1]=4 4789 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [0,2,0,0,0,0|1,0,1]=4 4790 B12R1.32 CCNC(=O)C[n+]1ccccc1 11a_100015525214_200000086051 [0,2,0,0,0,0|2,0,0]=4 4791 B12R1.32 CCNC(=O)C[n+]1ccccc1 240690a_100015525214_200000086051 [0,2,0,0,0,0|2,0,0]=4 4792 B12R1.32 CCNC(=O)C[n+]1ccccc1 527a_100015525214_200000086051 [0,2,0,0,0,0|2,0,0]=4 4793 B12R1.32 CCNC(=O)Cc1ccccn1 11a_100015525214_100000233486 [0,2,0,0,0,0|2,0,0]=4 4794 B12R1.32 CCNC(=O)Cc1cccnc1 11a_100015525214_100000737805 [0,2,0,0,0,0|2,0,0]=4 4795 B12R1.32 CCNC(=O)Cc1cccnc1 240690a_100015525214_100000737805 [0,2,0,0,0,0|2,0,0]=4 4796 B12R1.32 CCNC(=O)Cc1cccnc1 527a_100015525214_100000737805 [0,2,0,0,0,0|2,0,0]=4 4797 B12R1.32 CCNC(=O)Cc1ccncc1 11a_100015525214_100011201483 [0,2,0,0,0,0|2,0,0]=4 4798 B12R1.32 CCNC(=O)Cc1ccncc1 240690a_100015525214_100011201483 [0,2,0,0,0,0|2,0,0]=4 4799 B12R1.32 CCNC(=O)Nc1ccccc1 2430a_100000106764_100015525214 [0,2,0,0,0,0|1,0,0]=3 4800 B12R1.32 CN(CC=O)Cc1ccccc1 2230a_100000186898_200015260668 [0,2,0,0,0,0|2,0,0]=4 4801 B12R1.32 CN(CC=O)Cc1ccccc1 269982a_100000186898_200015260668 [0,2,0,0,0,0|2,0,0]=4 4802 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [0,2,0,0,0,0|1,0,0]=3 4803 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [0,2,0,0,0,0|1,0,0]=3 4804 B12R1.32 CNCC(=O)Nc1ccccc1 2230a_106832991635_100000182850 [0,2,0,0,0,0|1,0,0]=3 4805 B12R1.32 CNCC(=O)Nc1ccccc1 34a_100102657272_100000182850 [0,2,0,0,0,0|1,0,0]=3 4806 B12R1.32 CNCC(=O)Nc1ccccc1 7a_106832991635_100000182850 [0,2,0,0,0,0|1,0,0]=3 4807 B12R1.32 CNCC(=O)Nc1ccccn1 2230a_106832991635_100020662008 [0,2,0,0,0,0|2,0,0]=4 4808 B12R1.32 CNCC(=O)Nc1ccccn1 7a_106832991635_100020662008 [0,2,0,0,0,0|2,0,0]=4 4809 B12R1.32 CNCC(=O)Nc1ccncc1 2230a_106832991635_100000754145 [0,2,0,0,0,0|2,0,0]=4 4810 B12R1.32 CNCC(=O)Nc1ccncc1 7a_106832991635_100000754145 [0,2,0,0,0,0|2,0,0]=4 4811 B12R1.32 CNCC(=O)Oc1ccccc1 2230a_106832991635_100009813826 [0,2,0,0,0,0|0,0,0]=2 4812 B12R1.32 CNCC(=O)Oc1ccccc1 34a_100102657272_100009813826 [0,2,0,0,0,0|0,0,0]=2 4813 B12R1.32 CNCC(=O)Oc1ccccc1 7a_106832991635_100009813826 [0,2,0,0,0,0|0,0,0]=2 4814 B12R1.32 CNCC(C)Oc1ccccc1 2230a_100000755676_200000210301 [0,2,0,0,0,0|1,0,1]=4 4815 B12R1.32 CNCC(C)Oc1ccccc1 34a_100000755676_200000210301 [0,2,0,0,0,0|1,0,1]=4 4816 B12R1.32 CNNC(=O)C[n+]1ccccc1 22a_100016993582_200000086051 [0,2,0,0,0,0|2,0,0]=4 4817 B12R1.32 CNNC(=O)Cc1ccccn1 22a_100016993582_100000233486 [0,2,0,0,0,0|2,0,0]=4 4818 B12R1.32 CNNC(=O)Cc1cccnc1 22a_100016993582_100000737805 [0,2,0,0,0,0|2,0,0]=4 4819 B12R1.32 CNNC(=O)Cc1ccncc1 22a_100016993582_100011201483 [0,2,0,0,0,0|2,0,0]=4 4820 B12R1.32 COC/C(=C/c1ccccc1)/C 34a_200025717232_200000210301 [0,2,0,0,0,0|1,0,1]=4 4821 B12R1.32 COC/C(=C/c1ccccc1)/C 7a_200025717232_200000210301 [0,2,0,0,0,0|1,0,1]=4 4822 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [0,2,0,0,0,0|1,0,0]=3 4823 B12R1.32 COCC(=O)Cc1ccccn1 1458a_100000210968_100000721315 [0,2,0,0,0,0|2,0,0]=4 4824 B12R1.32 COCC(=O)Cc1cccnc1 1458a_100000210968_100000733263 [0,2,0,0,0,0|2,0,0]=4 4825 B12R1.32 COCC(=O)Cc1ccncc1 1458a_100000210968_100000705612 [0,2,0,0,0,0|2,0,0]=4 4826 B12R1.32 COCC(=O)Nc1ccccc1 11a_100000106764_100000210968 [0,2,0,0,0,0|1,0,0]=3 4827 B12R1.32 COCC(=O)Nc1ccccc1 1626a_100000106764_100000210968 [0,2,0,0,0,0|1,0,0]=3 4828 B12R1.32 COCC(=O)Nc1ccccc1 22a_100000106764_100000210968 [0,2,0,0,0,0|1,0,0]=3 4829 B12R1.32 COCC(=O)Nc1ccccc1 34a_100000246334_200000210301 [0,2,0,0,0,0|1,0,0]=3 4830 B12R1.32 COCC(=O)Nc1ccccc1 34a_100138415774_100000182850 [0,2,0,0,0,0|1,0,0]=3 4831 B12R1.32 COCC(=O)Nc1ccccc1 527a_100000106764_100000210968 [0,2,0,0,0,0|1,0,0]=3 4832 B12R1.32 COCC(=O)Oc1ccccc1 34a_100138415774_100009813826 [0,2,0,0,0,0|0,0,0]=2 4833 B12R1.32 COCC(C)Oc1ccccc1 34a_100000210340_100000765312 [0,2,0,0,0,0|0,0,2]=4 4834 B12R1.32 COCC(C)Oc1ccccc1 34a_200000036796_200000210301 [0,2,0,0,0,0|0,0,2]=4 4835 B12R1.32 COCC(C)Oc1ccccc1 7a_100000210340_100000765312 [0,2,0,0,0,0|0,0,2]=4 4836 B12R1.32 COCC(C)Oc1ccccc1 7a_200000036796_200000210301 [0,2,0,0,0,0|0,0,2]=4 4837 B12R1.32 CSCC(=O)Cc1ccccc1 1458a_100000184570_100015291786 [0,2,0,0,0,0|1,0,0]=3 4838 B12R1.32 CSCC(=O)Cc1ccccc1 62a_100000233483_200000210301 [0,2,0,0,0,0|1,0,0]=3 4839 B12R1.32 CSCC(=O)Cc1ccccc1 62a_200000210301_100000233483 [0,2,0,0,0,0|1,0,0]=3 4840 B12R1.32 CSCC(=O)Cc1ccccn1 1458a_100000184570_100000721315 [0,2,0,0,0,0|2,0,0]=4 4841 B12R1.32 CSCC(=O)Cc1cccnc1 1458a_100000184570_100000733263 [0,2,0,0,0,0|2,0,0]=4 4842 B12R1.32 CSCC(=O)Cc1ccncc1 1458a_100000184570_100000705612 [0,2,0,0,0,0|2,0,0]=4 4843 B12R1.32 CSCC(=O)Nc1ccccc1 11a_100000106764_100000184570 [0,2,0,0,0,0|1,0,0]=3 4844 B12R1.32 CSCC(=O)Nc1ccccc1 1626a_100000106764_100000184570 [0,2,0,0,0,0|1,0,0]=3 4845 B12R1.32 CSCC(=O)Nc1ccccc1 22a_100000106764_100000184570 [0,2,0,0,0,0|1,0,0]=3 4846 B12R1.32 CSCC(=O)Nc1ccccc1 527a_100000106764_100000184570 [0,2,0,0,0,0|1,0,0]=3 4847 B12R1.32 CSCC(=O)Nc1ccccc1 62a_100012148978_200000210301 [0,2,0,0,0,0|1,0,0]=3 4848 B12R1.32 CSCC(=O)Nc1ccccc1 62a_200000210301_100000182850 [0,2,0,0,0,0|1,0,0]=3 4849 B12R1.32 CSCC(=O)Nc1ccccn1 62a_100020662008_200000210301 [0,2,0,0,0,0|2,0,0]=4 4850 B12R1.32 CSCC(=O)Nc1ccccn1 62a_200000210301_100020662008 [0,2,0,0,0,0|2,0,0]=4 4851 B12R1.32 CSCC(=O)Nc1ccncc1 62a_200000210301_100000754145 [0,2,0,0,0,0|2,0,0]=4 4852 B12R1.32 CSCC(=O)Oc1ccccc1 62a_100009813826_200000210301 [0,2,0,0,0,0|0,0,0]=2 4853 B12R1.32 CSCC(=O)Oc1ccccc1 62a_200000210301_100009813826 [0,2,0,0,0,0|0,0,0]=2 4854 B12R1.32 N#CCC(=O)C[n+]1ccccc1 1458a_200000086051_100011214920 [0,2,0,0,0,0|2,0,0]=4 4855 B12R1.32 N#CCC(=O)Cc1ccccc1 1458a_100051588842_100015291786 [0,2,0,0,0,0|1,0,0]=3 4856 B12R1.32 N#CCC(=O)Cc1ccccn1 1458a_100000233486_100011214920 [0,2,0,0,0,0|2,0,0]=4 4857 B12R1.32 N#CCC(=O)Cc1ccccn1 1458a_100051588842_100000721315 [0,2,0,0,0,0|2,0,0]=4 4858 B12R1.32 N#CCC(=O)Cc1cccnc1 1458a_100000737805_100011214920 [0,2,0,0,0,0|2,0,0]=4 4859 B12R1.32 N#CCC(=O)Cc1cccnc1 1458a_100051588842_100000733263 [0,2,0,0,0,0|2,0,0]=4 4860 B12R1.32 N#CCC(=O)Cc1ccncc1 1458a_100051588842_100000705612 [0,2,0,0,0,0|2,0,0]=4 4861 B12R1.32 N#CCC(=O)Nc1ccccc1 1626a_100000106764_100051588842 [0,2,0,0,0,0|1,0,0]=3 4862 B12R1.32 N#CCC(=O)Nc1ccccc1 22a_100000106764_100051588842 [0,2,0,0,0,0|1,0,0]=3 4863 B12R1.32 O=C(C=CBr)Cc1ccccc1 1458a_100016273825_100015291786 [0,2,0,0,0,0|1,0,1]=4 4864 B12R1.32 O=C(C=CBr)Nc1ccccc1 1626a_100000106764_100016273825 [0,2,0,0,0,0|1,0,1]=4 4865 B12R1.32 O=C(C=CCl)Cc1ccccc1 1458a_200016279998_100015291786 [0,2,0,0,0,0|1,0,1]=4 4866 B12R1.32 O=C(C=CCl)Nc1ccccc1 11a_100000106764_200016279998 [0,2,0,0,0,0|1,0,1]=4 4867 B12R1.32 O=C(C=CCl)Nc1ccccc1 1626a_100000106764_200016279998 [0,2,0,0,0,0|1,0,1]=4 4868 B12R1.32 O=C(C=CI)Cc1ccccc1 1458a_100016256311_100015291786 [0,2,0,0,0,0|1,0,1]=4 4869 B12R1.32 O=C(C=CI)Nc1ccccc1 1626a_100000106764_100016256311 [0,2,0,0,0,0|1,0,1]=4 4870 B12R1.32 O=C(CCF)C[n+]1ccccc1 1458a_200000086051_100011217306 [0,2,0,0,0,0|2,0,0]=4 4871 B12R1.32 O=C(CCF)Cc1ccccn1 1458a_100000233486_100011217306 [0,2,0,0,0,0|2,0,0]=4 4872 B12R1.32 O=C(CCF)Cc1cccnc1 1458a_100000737805_100011217306 [0,2,0,0,0,0|2,0,0]=4 4873 B12R1.32 O=C(CCO)C[n+]1ccccc1 1458a_200000086051_100000211926 [0,2,0,0,0,0|2,0,0]=4 4874 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [0,2,0,0,0,0|1,0,0]=3 4875 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100000233486_100000211926 [0,2,0,0,0,0|2,0,0]=4 4876 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100011216618_100000721315 [0,2,0,0,0,0|2,0,0]=4 4877 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100000737805_100000211926 [0,2,0,0,0,0|2,0,0]=4 4878 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100011216618_100000733263 [0,2,0,0,0,0|2,0,0]=4 4879 B12R1.32 O=C(CCO)Cc1ccncc1 1458a_100011216618_100000705612 [0,2,0,0,0,0|2,0,0]=4 4880 B12R1.32 O=C(CCO)Nc1ccccc1 22a_100000106764_100011216618 [0,2,0,0,0,0|1,0,0]=3 4881 B12R1.32 [13CH3]OCC(=O)Nc1ccccc1 34a_100000246334_200025704644 [0,2,0,0,0,0|1,0,0]=3 4882 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_100000233483_200025704644 [0,2,0,0,0,0|1,0,0]=3 4883 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_200025704644_100000233483 [0,2,0,0,0,0|1,0,0]=3 4884 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_100012148978_200025704644 [0,2,0,0,0,0|1,0,0]=3 4885 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_200025704644_100000182850 [0,2,0,0,0,0|1,0,0]=3 4886 B12R1.32 [13CH3]SCC(=O)Nc1ccccn1 62a_100020662008_200025704644 [0,2,0,0,0,0|2,0,0]=4 4887 B12R1.32 [13CH3]SCC(=O)Nc1ccccn1 62a_200025704644_100020662008 [0,2,0,0,0,0|2,0,0]=4 4888 B12R1.32 [13CH3]SCC(=O)Nc1ccncc1 62a_200025704644_100000754145 [0,2,0,0,0,0|2,0,0]=4 4889 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_100009813826_200025704644 [0,2,0,0,0,0|0,0,0]=2 4890 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_200025704644_100009813826 [0,2,0,0,0,0|0,0,0]=2 4891 B12R1.50 C#CC(=O)Cc1cccc(c1)Br 1458a_100000211873_100000211773 [0,2,0,0,0,0|1,0,1]=4 4892 B12R1.50 C#CC(=O)Cc1cccc(c1)C 1458a_100000211873_100000211840 [0,2,0,0,0,0|1,0,1]=4 4893 B12R1.50 C#CC(=O)Cc1cccc(c1)Cl 1458a_100000211873_100000181238 [0,2,0,0,0,0|1,0,1]=4 4894 B12R1.50 C#CC(=O)Cc1cccc(c1)F 1458a_100000211873_100000230114 [0,2,0,0,0,0|1,0,1]=4 4895 B12R1.50 C#CC(=O)Cc1cccc(c1)I 1458a_100000211873_100011218688 [0,2,0,0,0,0|1,0,1]=4 4896 B12R1.50 C#CC(=O)Cc1cccc(c1)O 1458a_100000211873_100011660834 [0,2,0,0,0,0|1,0,1]=4 4897 B12R1.50 C#CC(C)Oc1cccc(c1)Br 34a_100000210342_200000035995 [0,2,0,0,0,0|1,0,1]=4 4898 B12R1.50 C#CC(C)Oc1cccc(c1)C 34a_100000210337_200000035995 [0,2,0,0,0,0|1,0,1]=4 4899 B12R1.50 C#CC(C)Oc1cccc(c1)Cl 34a_100000210295_200000035995 [0,2,0,0,0,0|1,0,1]=4 4900 B12R1.50 C#CC(C)Oc1cccc(c1)F 34a_100000210426_200000035995 [0,2,0,0,0,0|1,0,1]=4 4901 B12R1.50 C#CC(C)Oc1cccc(c1)I 34a_100000211634_200000035995 [0,2,0,0,0,0|1,0,1]=4 4902 B12R1.50 C#CC(C)Oc1cccc(c1)N 34a_100000210217_200000035995 [0,2,0,0,0,0|1,0,1]=4 4903 B12R1.50 C=CC(=O)Cc1cccc(c1)Br 1458a_100000185746_100000211773 [0,2,0,0,0,0|1,0,1]=4 4904 B12R1.50 C=CC(=O)Cc1cccc(c1)C 1458a_100000185746_100000211840 [0,2,0,0,0,0|1,0,1]=4 4905 B12R1.50 C=CC(=O)Cc1cccc(c1)Cl 1458a_100000185746_100000181238 [0,2,0,0,0,0|1,0,1]=4 4906 B12R1.50 C=CC(=O)Cc1cccc(c1)F 1458a_100000185746_100000230114 [0,2,0,0,0,0|1,0,1]=4 4907 B12R1.50 C=CC(=O)Cc1cccc(c1)I 1458a_100000185746_100011218688 [0,2,0,0,0,0|1,0,1]=4 4908 B12R1.50 C=CC(=O)Cc1cccc(c1)O 1458a_100000185746_100011660834 [0,2,0,0,0,0|1,0,1]=4 4909 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000185746 [0,2,0,0,0,0|1,0,1]=4 4910 B12R1.50 C=CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000185746 [0,2,0,0,0,0|1,0,1]=4 4911 B12R1.50 C=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000185746 [0,2,0,0,0,0|1,0,1]=4 4912 B12R1.50 C=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000185746 [0,2,0,0,0,0|1,0,1]=4 4913 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000185746 [0,2,0,0,0,0|1,0,1]=4 4914 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000185746 [0,2,0,0,0,0|1,0,1]=4 4915 B12R1.50 C=CC(=O)Nc1cccc(c1)F 1626a_100000210047_100000185746 [0,2,0,0,0,0|1,0,1]=4 4916 B12R1.50 C=CC(=O)Nc1cccc(c1)F 22a_100000210047_100000185746 [0,2,0,0,0,0|1,0,1]=4 4917 B12R1.50 C=CC(=O)Nc1cccc(c1)I 1626a_100000211102_100000185746 [0,2,0,0,0,0|1,0,1]=4 4918 B12R1.50 C=CC(=O)Nc1cccc(c1)I 22a_100000211102_100000185746 [0,2,0,0,0,0|1,0,1]=4 4919 B12R1.50 C=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000185746 [0,2,0,0,0,0|1,0,1]=4 4920 B12R1.50 C=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000185746 [0,2,0,0,0,0|1,0,1]=4 4921 B12R1.50 CC(=Cc1cccc(c1)Br)C#N 6a_100000210085_200000212204 [0,2,0,0,0,0|2,0,0]=4 4922 B12R1.50 CC(=Cc1cccc(c1)F)C#N 6a_100000210812_200000212204 [0,2,0,0,0,0|2,0,0]=4 4923 B12R1.50 CC(=Cc1cccc(c1)I)C#N 6a_100000014684_200000212204 [0,2,0,0,0,0|2,0,0]=4 4924 B12R1.50 CC(C#N)Oc1cccc(c1)Br 7a_100000210342_100000703298 [0,2,0,0,0,0|1,0,1]=4 4925 B12R1.50 CC(C#N)Oc1cccc(c1)Cl 7a_100000210295_100000703298 [0,2,0,0,0,0|1,0,1]=4 4926 B12R1.50 CC(C#N)Oc1cccc(c1)F 7a_100000210426_100000703298 [0,2,0,0,0,0|1,0,1]=4 4927 B12R1.50 CC(C#N)Oc1cccc(c1)I 7a_100000211634_100000703298 [0,2,0,0,0,0|1,0,1]=4 4928 B12R1.50 CC(CO)Oc1cccc(c1)Br 34a_100000210342_100012180447 [0,2,0,0,0,0|0,0,2]=4 4929 B12R1.50 CC(CO)Oc1cccc(c1)Br 7a_100000210342_100012180447 [0,2,0,0,0,0|0,0,2]=4 4930 B12R1.50 CC(CO)Oc1cccc(c1)Cl 34a_100000210295_100012180447 [0,2,0,0,0,0|0,0,2]=4 4931 B12R1.50 CC(CO)Oc1cccc(c1)Cl 7a_100000210295_100012180447 [0,2,0,0,0,0|0,0,2]=4 4932 B12R1.50 CC(CO)Oc1cccc(c1)F 34a_100000210426_100012180447 [0,2,0,0,0,0|0,0,2]=4 4933 B12R1.50 CC(CO)Oc1cccc(c1)F 7a_100000210426_100012180447 [0,2,0,0,0,0|0,0,2]=4 4934 B12R1.50 CC(CO)Oc1cccc(c1)I 34a_100000211634_100012180447 [0,2,0,0,0,0|0,0,2]=4 4935 B12R1.50 CC(CO)Oc1cccc(c1)I 7a_100000211634_100012180447 [0,2,0,0,0,0|0,0,2]=4 4936 B12R1.50 CC(CO)Oc1cccc(c1)N 34a_100000210217_100012180447 [0,2,0,0,0,0|0,0,2]=4 4937 B12R1.50 CCC(=O)Cc1cc(ccn1)Br 1458a_100000210414_100010173614 [0,2,0,0,0,0|2,0,0]=4 4938 B12R1.50 CCC(=O)Cc1cc(ccn1)C 1458a_100000210414_100000718516 [0,2,0,0,0,0|2,0,0]=4 4939 B12R1.50 CCC(=O)Cc1cc(ccn1)Cl 1458a_100000210414_100016988179 [0,2,0,0,0,0|2,0,0]=4 4940 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000210414_100000211773 [0,2,0,0,0,0|1,0,0]=3 4941 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210202 [0,2,0,0,0,0|1,0,0]=3 4942 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100000210414_100000211840 [0,2,0,0,0,0|1,0,0]=3 4943 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210202 [0,2,0,0,0,0|1,0,0]=3 4944 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000210414_100000181238 [0,2,0,0,0,0|1,0,0]=3 4945 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210202 [0,2,0,0,0,0|1,0,0]=3 4946 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000210414_100000230114 [0,2,0,0,0,0|1,0,0]=3 4947 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210202 [0,2,0,0,0,0|1,0,0]=3 4948 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000210414_100011218688 [0,2,0,0,0,0|1,0,0]=3 4949 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210202 [0,2,0,0,0,0|1,0,0]=3 4950 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000210414_100011660834 [0,2,0,0,0,0|1,0,0]=3 4951 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210202 [0,2,0,0,0,0|1,0,0]=3 4952 B12R1.50 CCC(=O)Cc1cccc(n1)Br 1458a_100000210414_100009889011 [0,2,0,0,0,0|2,0,0]=4 4953 B12R1.50 CCC(=O)Cc1cccc(n1)Br 1458a_100010201708_100000210202 [0,2,0,0,0,0|2,0,0]=4 4954 B12R1.50 CCC(=O)Cc1cccc(n1)C 1458a_100000210414_100000757606 [0,2,0,0,0,0|2,0,0]=4 4955 B12R1.50 CCC(=O)Cc1cccc(n1)C 1458a_100012001110_100000210202 [0,2,0,0,0,0|2,0,0]=4 4956 B12R1.50 CCC(=O)Cc1cccc(n1)Cl 1458a_100000090259_100000210202 [0,2,0,0,0,0|2,0,0]=4 4957 B12R1.50 CCC(=O)Cc1cccc(n1)Cl 1458a_100000210414_100000086093 [0,2,0,0,0,0|2,0,0]=4 4958 B12R1.50 CCC(=O)Cc1cccc(n1)F 1458a_100000096803_100000210202 [0,2,0,0,0,0|2,0,0]=4 4959 B12R1.50 CCC(=O)Cc1cccc(n1)F 1458a_100000210414_100009819644 [0,2,0,0,0,0|2,0,0]=4 4960 B12R1.50 CCC(=O)Cc1ccnc(c1)Br 1458a_100000210414_100010243470 [0,2,0,0,0,0|2,0,0]=4 4961 B12R1.50 CCC(=O)Cc1ccnc(c1)Br 1458a_100010126891_100000210202 [0,2,0,0,0,0|2,0,0]=4 4962 B12R1.50 CCC(=O)Cc1ccnc(c1)C 1458a_100000210414_200020672517 [0,2,0,0,0,0|2,0,0]=4 4963 B12R1.50 CCC(=O)Cc1ccnc(c1)Cl 1458a_100000210414_100000764220 [0,2,0,0,0,0|2,0,0]=4 4964 B12R1.50 CCC(=O)Cc1cncc(c1)Br 1458a_100000210414_100011740620 [0,2,0,0,0,0|2,0,0]=4 4965 B12R1.50 CCC(=O)Cc1cncc(c1)Br 1458a_100000239331_100000210202 [0,2,0,0,0,0|2,0,0]=4 4966 B12R1.50 CCC(=O)Cc1cncc(c1)C 1458a_100000210414_100000716715 [0,2,0,0,0,0|2,0,0]=4 4967 B12R1.50 CCC(=O)Cc1cncc(c1)Cl 1458a_100000210414_100016992070 [0,2,0,0,0,0|2,0,0]=4 4968 B12R1.50 CCC(=O)Cc1cncc(c1)F 1458a_100000210414_100000725299 [0,2,0,0,0,0|2,0,0]=4 4969 B12R1.50 CCC(=O)Cc1cncc(c1)F 1458a_100011667516_100000210202 [0,2,0,0,0,0|2,0,0]=4 4970 B12R1.50 CCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000210414 [0,2,0,0,0,0|1,0,0]=3 4971 B12R1.50 CCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000210414 [0,2,0,0,0,0|1,0,0]=3 4972 B12R1.50 CCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000210414 [0,2,0,0,0,0|1,0,0]=3 4973 B12R1.50 CCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000210414 [0,2,0,0,0,0|1,0,0]=3 4974 B12R1.50 CCC(=O)Nc1cccc(c1)C 11a_100000188690_100000210414 [0,2,0,0,0,0|1,0,0]=3 4975 B12R1.50 CCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210414 [0,2,0,0,0,0|1,0,0]=3 4976 B12R1.50 CCC(=O)Nc1cccc(c1)C 22a_100000188690_100000210414 [0,2,0,0,0,0|1,0,0]=3 4977 B12R1.50 CCC(=O)Nc1cccc(c1)C 527a_100000188690_100000210414 [0,2,0,0,0,0|1,0,0]=3 4978 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000210414 [0,2,0,0,0,0|1,0,0]=3 4979 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000210414 [0,2,0,0,0,0|1,0,0]=3 4980 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000210414 [0,2,0,0,0,0|1,0,0]=3 4981 B12R1.50 CCC(=O)Nc1cccc(c1)F 11a_100000210047_100000210414 [0,2,0,0,0,0|1,0,0]=3 4982 B12R1.50 CCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000210414 [0,2,0,0,0,0|1,0,0]=3 4983 B12R1.50 CCC(=O)Nc1cccc(c1)F 22a_100000210047_100000210414 [0,2,0,0,0,0|1,0,0]=3 4984 B12R1.50 CCC(=O)Nc1cccc(c1)F 527a_100000210047_100000210414 [0,2,0,0,0,0|1,0,0]=3 4985 B12R1.50 CCC(=O)Nc1cccc(c1)I 11a_100000211102_100000210414 [0,2,0,0,0,0|1,0,0]=3 4986 B12R1.50 CCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000210414 [0,2,0,0,0,0|1,0,0]=3 4987 B12R1.50 CCC(=O)Nc1cccc(c1)I 22a_100000211102_100000210414 [0,2,0,0,0,0|1,0,0]=3 4988 B12R1.50 CCC(=O)Nc1cccc(c1)I 527a_100000211102_100000210414 [0,2,0,0,0,0|1,0,0]=3 4989 B12R1.50 CCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210414 [0,2,0,0,0,0|1,0,0]=3 4990 B12R1.50 CCC(=O)Nc1cccc(c1)O 22a_100000210217_100000210414 [0,2,0,0,0,0|1,0,0]=3 4991 B12R1.50 CCC(=O)Nc1cccc(c1)O 527a_100000210217_100000210414 [0,2,0,0,0,0|1,0,0]=3 4992 B12R1.50 CCC(C)Oc1cccc(c1)Br 34a_100000210342_100011215416 [0,2,0,0,0,0|1,0,1]=4 4993 B12R1.50 CCC(C)Oc1cccc(c1)Br 7a_100000210342_100000758301 [0,2,0,0,0,0|1,0,1]=4 4994 B12R1.50 CCC(C)Oc1cccc(c1)C 34a_100000210337_100011215416 [0,2,0,0,0,0|1,0,1]=4 4995 B12R1.50 CCC(C)Oc1cccc(c1)C 7a_100000210337_100000758301 [0,2,0,0,0,0|1,0,1]=4 4996 B12R1.50 CCC(C)Oc1cccc(c1)Cl 34a_100000210295_100011215416 [0,2,0,0,0,0|1,0,1]=4 4997 B12R1.50 CCC(C)Oc1cccc(c1)Cl 7a_100000210295_100000758301 [0,2,0,0,0,0|1,0,1]=4 4998 B12R1.50 CCC(C)Oc1cccc(c1)F 34a_100000210426_100011215416 [0,2,0,0,0,0|1,0,1]=4 4999 B12R1.50 CCC(C)Oc1cccc(c1)F 7a_100000210426_100000758301 [0,2,0,0,0,0|1,0,1]=4 5000 B12R1.50 CCC(C)Oc1cccc(c1)I 34a_100000211634_100011215416 [0,2,0,0,0,0|1,0,1]=4 5001 B12R1.50 CCC(C)Oc1cccc(c1)I 7a_100000211634_100000758301 [0,2,0,0,0,0|1,0,1]=4 5002 B12R1.50 CCC(C)Oc1cccc(c1)N 34a_100000210217_100011215416 [0,2,0,0,0,0|1,0,1]=4 5003 B12R1.50 CCC(C)Oc1cccc(c1)O 271570a_203496583355_200011236628 [0,2,0,0,0,0|1,0,1]=4 5004 B12R1.50 CNC(=O)Cc1cccc(c1)Br 11a_106832991635_100000747190 [0,2,0,0,0,0|1,0,0]=3 5005 B12R1.50 CNC(=O)Cc1cccc(c1)Br 240690a_100102657272_100000747190 [0,2,0,0,0,0|1,0,0]=3 5006 B12R1.50 CNC(=O)Cc1cccc(c1)Br 527a_100102657272_100000747190 [0,2,0,0,0,0|1,0,0]=3 5007 B12R1.50 CNC(=O)Cc1cccc(c1)C 11a_106832991635_100011206899 [0,2,0,0,0,0|1,0,0]=3 5008 B12R1.50 CNC(=O)Cc1cccc(c1)C 1626a_100102657272_100011206899 [0,2,0,0,0,0|1,0,0]=3 5009 B12R1.50 CNC(=O)Cc1cccc(c1)C 240690a_100102657272_100011206899 [0,2,0,0,0,0|1,0,0]=3 5010 B12R1.50 CNC(=O)Cc1cccc(c1)C 527a_100102657272_100011206899 [0,2,0,0,0,0|1,0,0]=3 5011 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 11a_106832991635_100000749307 [0,2,0,0,0,0|1,0,0]=3 5012 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 1626a_100102657272_100000749307 [0,2,0,0,0,0|1,0,0]=3 5013 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 240690a_100102657272_100000749307 [0,2,0,0,0,0|1,0,0]=3 5014 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 527a_100102657272_100000749307 [0,2,0,0,0,0|1,0,0]=3 5015 B12R1.50 CNC(=O)Cc1cccc(c1)F 11a_106832991635_100000211661 [0,2,0,0,0,0|1,0,0]=3 5016 B12R1.50 CNC(=O)Cc1cccc(c1)F 1626a_100102657272_100000211661 [0,2,0,0,0,0|1,0,0]=3 5017 B12R1.50 CNC(=O)Cc1cccc(c1)F 240690a_100102657272_100000211661 [0,2,0,0,0,0|1,0,0]=3 5018 B12R1.50 CNC(=O)Cc1cccc(c1)F 527a_100102657272_100000211661 [0,2,0,0,0,0|1,0,0]=3 5019 B12R1.50 CNC(=O)Cc1cccc(c1)I 11a_106832991635_100000238430 [0,2,0,0,0,0|1,0,0]=3 5020 B12R1.50 CNC(=O)Cc1cccc(c1)I 1626a_100102657272_100000238430 [0,2,0,0,0,0|1,0,0]=3 5021 B12R1.50 CNC(=O)Cc1cccc(c1)I 240690a_100102657272_100000238430 [0,2,0,0,0,0|1,0,0]=3 5022 B12R1.50 CNC(=O)Cc1cccc(c1)I 527a_100102657272_100000238430 [0,2,0,0,0,0|1,0,0]=3 5023 B12R1.50 CNC(=O)Cc1cccc(c1)O 240690a_100102657272_100000745134 [0,2,0,0,0,0|1,0,0]=3 5024 B12R1.50 CNC(=O)Cc1cccc(c1)O 527a_100102657272_100000745134 [0,2,0,0,0,0|1,0,0]=3 5025 B12R1.50 CNC(=O)Cc1cccc(n1)Br 11a_106832991635_100010201708 [0,2,0,0,0,0|2,0,0]=4 5026 B12R1.50 CNC(=O)Cc1cccc(n1)Br 240690a_100102657272_100010201708 [0,2,0,0,0,0|2,0,0]=4 5027 B12R1.50 CNC(=O)Cc1cccc(n1)Br 527a_100102657272_100010201708 [0,2,0,0,0,0|2,0,0]=4 5028 B12R1.50 CNC(=O)Cc1cccc(n1)C 11a_106832991635_100012001110 [0,2,0,0,0,0|2,0,0]=4 5029 B12R1.50 CNC(=O)Cc1cccc(n1)C 1626a_100102657272_100012001110 [0,2,0,0,0,0|2,0,0]=4 5030 B12R1.50 CNC(=O)Cc1cccc(n1)C 240690a_100102657272_100012001110 [0,2,0,0,0,0|2,0,0]=4 5031 B12R1.50 CNC(=O)Cc1cccc(n1)C 527a_100102657272_100012001110 [0,2,0,0,0,0|2,0,0]=4 5032 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 11a_106832991635_100000090259 [0,2,0,0,0,0|2,0,0]=4 5033 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 1626a_100102657272_100000090259 [0,2,0,0,0,0|2,0,0]=4 5034 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 240690a_100102657272_100000090259 [0,2,0,0,0,0|2,0,0]=4 5035 B12R1.50 CNC(=O)Cc1cccc(n1)F 11a_106832991635_100000096803 [0,2,0,0,0,0|2,0,0]=4 5036 B12R1.50 CNC(=O)Cc1cccc(n1)F 1626a_100102657272_100000096803 [0,2,0,0,0,0|2,0,0]=4 5037 B12R1.50 CNC(=O)Cc1cccc(n1)F 240690a_100102657272_100000096803 [0,2,0,0,0,0|2,0,0]=4 5038 B12R1.50 CNC(=O)Cc1ccnc(c1)Br 11a_106832991635_100010126891 [0,2,0,0,0,0|2,0,0]=4 5039 B12R1.50 CNC(=O)Cc1ccnc(c1)Br 240690a_100102657272_100010126891 [0,2,0,0,0,0|2,0,0]=4 5040 B12R1.50 CNC(=O)Cc1ccnc(c1)Br 527a_100102657272_100010126891 [0,2,0,0,0,0|2,0,0]=4 5041 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 11a_106832991635_100000085289 [0,2,0,0,0,0|2,0,0]=4 5042 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 1626a_100102657272_100000085289 [0,2,0,0,0,0|2,0,0]=4 5043 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 240690a_100102657272_100000085289 [0,2,0,0,0,0|2,0,0]=4 5044 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 527a_100102657272_100000085289 [0,2,0,0,0,0|2,0,0]=4 5045 B12R1.50 CNC(=O)Cc1cncc(c1)Br 11a_106832991635_100000239331 [0,2,0,0,0,0|2,0,0]=4 5046 B12R1.50 CNC(=O)Cc1cncc(c1)Br 240690a_100102657272_100000239331 [0,2,0,0,0,0|2,0,0]=4 5047 B12R1.50 CNC(=O)Cc1cncc(c1)Br 527a_100102657272_100000239331 [0,2,0,0,0,0|2,0,0]=4 5048 B12R1.50 CNC(=O)Cc1cncc(c1)F 11a_106832991635_100011667516 [0,2,0,0,0,0|2,0,0]=4 5049 B12R1.50 CNC(=O)Cc1cncc(c1)F 240690a_100102657272_100011667516 [0,2,0,0,0,0|2,0,0]=4 5050 B12R1.50 CNC(=O)Cc1cncc(c1)F 527a_100102657272_100011667516 [0,2,0,0,0,0|2,0,0]=4 5051 B12R1.50 CNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100102657272 [0,2,0,0,0,0|1,0,0]=3 5052 B12R1.50 CNC(=O)Nc1cccc(c1)Br 512a_100000210019_100102657272 [0,2,0,0,0,0|1,0,0]=3 5053 B12R1.50 CNC(=O)Nc1cccc(c1)C 2430a_100000188690_100102657272 [0,2,0,0,0,0|1,0,0]=3 5054 B12R1.50 CNC(=O)Nc1cccc(c1)C 512a_100000188690_100102657272 [0,2,0,0,0,0|1,0,0]=3 5055 B12R1.50 CNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100102657272 [0,2,0,0,0,0|1,0,0]=3 5056 B12R1.50 CNC(=O)Nc1cccc(c1)F 2430a_100000210047_100102657272 [0,2,0,0,0,0|1,0,0]=3 5057 B12R1.50 CNC(=O)Nc1cccc(c1)F 512a_100000210047_100102657272 [0,2,0,0,0,0|1,0,0]=3 5058 B12R1.50 CNC(=O)Nc1cccc(c1)I 2430a_100000211102_100102657272 [0,2,0,0,0,0|1,0,0]=3 5059 B12R1.50 CNC(=O)Nc1cccc(c1)I 512a_100000211102_100102657272 [0,2,0,0,0,0|1,0,0]=3 5060 B12R1.50 CNC(=O)Nc1cccc(c1)O 2430a_100000210217_100102657272 [0,2,0,0,0,0|1,0,0]=3 5061 B12R1.50 CNC(=O)Nc1cccc(c1)O 512a_100000210217_100102657272 [0,2,0,0,0,0|1,0,0]=3 5062 B12R1.50 COC(=O)Cc1cc(ccn1)O 271570a_203496583355_100010275543 [0,2,0,0,0,0|2,0,0]=4 5063 B12R1.50 COC(=O)Cc1cccc(c1)O 271570a_203496583355_100000699549 [0,2,0,0,0,0|1,0,0]=3 5064 B12R1.50 COC(=O)Cc1cccc(n1)O 271570a_203496583355_100000094215 [0,2,0,0,0,0|2,0,0]=4 5065 B12R1.50 COC(=O)Cc1ccnc(c1)O 271570a_203496583355_100010135589 [0,2,0,0,0,0|2,0,0]=4 5066 B12R1.50 Cc1cc(ccn1)CC(=O)CO 1458a_100000210174_200020672517 [0,2,0,0,0,0|2,0,0]=4 5067 B12R1.50 Cc1cccc(c1)CC(=O)CF 1458a_100011206899_100015361967 [0,2,0,0,0,0|1,0,0]=3 5068 B12R1.50 Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100000211840 [0,2,0,0,0,0|1,0,0]=3 5069 B12R1.50 Cc1cccc(c1)NC(=O)CO 22a_100000188690_100000210174 [0,2,0,0,0,0|1,0,0]=3 5070 B12R1.50 Cc1cccc(c1)NC(=O)CO 527a_100000188690_100000210174 [0,2,0,0,0,0|1,0,0]=3 5071 B12R1.50 Cc1cccc(c1)OC(C)C#N 7a_100000210337_100000703298 [0,2,0,0,0,0|1,0,1]=4 5072 B12R1.50 Cc1cccc(c1)OC(C)CO 34a_100000210337_100012180447 [0,2,0,0,0,0|0,0,2]=4 5073 B12R1.50 Cc1cccc(c1)OC(C)CO 7a_100000210337_100012180447 [0,2,0,0,0,0|0,0,2]=4 5074 B12R1.50 Cc1cccc(n1)CC(=O)CF 1458a_100012001110_100015361967 [0,2,0,0,0,0|2,0,0]=4 5075 B12R1.50 Cc1cccc(n1)CC(=O)CO 1458a_100000210174_100000757606 [0,2,0,0,0,0|2,0,0]=4 5076 B12R1.50 Cc1ccnc(c1)CC(=O)CO 1458a_100000210174_100000718516 [0,2,0,0,0,0|2,0,0]=4 5077 B12R1.50 Cc1cncc(c1)CC(=O)CO 1458a_100000210174_100000716715 [0,2,0,0,0,0|2,0,0]=4 5078 B12R1.50 O=C(CF)Cc1cccc(c1)Br 1458a_100000747190_100015361967 [0,2,0,0,0,0|1,0,0]=3 5079 B12R1.50 O=C(CF)Cc1cccc(c1)Cl 1458a_100000749307_100015361967 [0,2,0,0,0,0|1,0,0]=3 5080 B12R1.50 O=C(CF)Cc1cccc(c1)F 1458a_100000211661_100015361967 [0,2,0,0,0,0|1,0,0]=3 5081 B12R1.50 O=C(CF)Cc1cccc(c1)I 1458a_100000238430_100015361967 [0,2,0,0,0,0|1,0,0]=3 5082 B12R1.50 O=C(CF)Cc1cccc(c1)O 1458a_100000745134_100015361967 [0,2,0,0,0,0|1,0,0]=3 5083 B12R1.50 O=C(CF)Cc1cccc(n1)Br 1458a_100010201708_100015361967 [0,2,0,0,0,0|2,0,0]=4 5084 B12R1.50 O=C(CF)Cc1cccc(n1)Cl 1458a_100000090259_100015361967 [0,2,0,0,0,0|2,0,0]=4 5085 B12R1.50 O=C(CF)Cc1cccc(n1)F 1458a_100000096803_100015361967 [0,2,0,0,0,0|2,0,0]=4 5086 B12R1.50 O=C(CF)Cc1ccnc(c1)Br 1458a_100010126891_100015361967 [0,2,0,0,0,0|2,0,0]=4 5087 B12R1.50 O=C(CF)Cc1cncc(c1)Br 1458a_100000239331_100015361967 [0,2,0,0,0,0|2,0,0]=4 5088 B12R1.50 O=C(CF)Cc1cncc(c1)F 1458a_100011667516_100015361967 [0,2,0,0,0,0|2,0,0]=4 5089 B12R1.50 O=C(CO)Cc1cc(ccn1)Br 1458a_100000210174_100010173614 [0,2,0,0,0,0|2,0,0]=4 5090 B12R1.50 O=C(CO)Cc1cc(ccn1)Cl 1458a_100000210174_100016988179 [0,2,0,0,0,0|2,0,0]=4 5091 B12R1.50 O=C(CO)Cc1cccc(c1)Br 1458a_100000210174_100000211773 [0,2,0,0,0,0|1,0,0]=3 5092 B12R1.50 O=C(CO)Cc1cccc(c1)Cl 1458a_100000210174_100000181238 [0,2,0,0,0,0|1,0,0]=3 5093 B12R1.50 O=C(CO)Cc1cccc(c1)F 1458a_100000210174_100000230114 [0,2,0,0,0,0|1,0,0]=3 5094 B12R1.50 O=C(CO)Cc1cccc(c1)I 1458a_100000210174_100011218688 [0,2,0,0,0,0|1,0,0]=3 5095 B12R1.50 O=C(CO)Cc1cccc(c1)O 1458a_100000210174_100011660834 [0,2,0,0,0,0|1,0,0]=3 5096 B12R1.50 O=C(CO)Cc1cccc(n1)Br 1458a_100000210174_100009889011 [0,2,0,0,0,0|2,0,0]=4 5097 B12R1.50 O=C(CO)Cc1cccc(n1)Cl 1458a_100000210174_100000086093 [0,2,0,0,0,0|2,0,0]=4 5098 B12R1.50 O=C(CO)Cc1cccc(n1)F 1458a_100000210174_100009819644 [0,2,0,0,0,0|2,0,0]=4 5099 B12R1.50 O=C(CO)Cc1ccnc(c1)Br 1458a_100000210174_100010243470 [0,2,0,0,0,0|2,0,0]=4 5100 B12R1.50 O=C(CO)Cc1ccnc(c1)Cl 1458a_100000210174_100000764220 [0,2,0,0,0,0|2,0,0]=4 5101 B12R1.50 O=C(CO)Cc1cncc(c1)Br 1458a_100000210174_100011740620 [0,2,0,0,0,0|2,0,0]=4 5102 B12R1.50 O=C(CO)Cc1cncc(c1)Cl 1458a_100000210174_100016992070 [0,2,0,0,0,0|2,0,0]=4 5103 B12R1.50 O=C(CO)Cc1cncc(c1)F 1458a_100000210174_100000725299 [0,2,0,0,0,0|2,0,0]=4 5104 B12R1.50 O=C(CO)Nc1cccc(c1)Br 22a_100000210019_100000210174 [0,2,0,0,0,0|1,0,0]=3 5105 B12R1.50 O=C(CO)Nc1cccc(c1)Br 527a_100000210019_100000210174 [0,2,0,0,0,0|1,0,0]=3 5106 B12R1.50 O=C(CO)Nc1cccc(c1)Cl 22a_100000185859_100000210174 [0,2,0,0,0,0|1,0,0]=3 5107 B12R1.50 O=C(CO)Nc1cccc(c1)F 22a_100000210047_100000210174 [0,2,0,0,0,0|1,0,0]=3 5108 B12R1.50 O=C(CO)Nc1cccc(c1)F 527a_100000210047_100000210174 [0,2,0,0,0,0|1,0,0]=3 5109 B12R1.50 O=C(CO)Nc1cccc(c1)I 22a_100000211102_100000210174 [0,2,0,0,0,0|1,0,0]=3 5110 B12R1.50 O=C(CO)Nc1cccc(c1)I 527a_100000211102_100000210174 [0,2,0,0,0,0|1,0,0]=3 5111 B12R1.50 O=C(CO)Nc1cccc(c1)O 22a_100000210217_100000210174 [0,2,0,0,0,0|1,0,0]=3 5112 B12R1.50 O=C(CO)Nc1cccc(c1)O 527a_100000210217_100000210174 [0,2,0,0,0,0|1,0,0]=3 5113 B12R1.118 CCC(CC)Oc1ccccc1 7a_100000210340_100000210505 [0,2,0,0,0,0|1,0,1]=4 5114 B12R1.118 O=CC(C=O)Oc1ccccc1 34a_100000210340_100000736813 [0,2,0,0,0,0|0,0,2]=4 5115 B12R1.194 C#CC(C)(C)Oc1ccccc1 34a_100000210340_100000038118 [0,2,0,0,0,0|1,0,1]=4 5116 B12R1.194 CC(C)(C#N)Oc1ccccc1 34a_100000210340_100011162410 [0,2,0,0,0,0|1,0,1]=4 5117 B12R1.194 CC(C)(C#N)Oc1ccccc1 7a_100000210340_100011162410 [0,2,0,0,0,0|1,0,1]=4 5118 B12R1.194 CCC(C)(C)Oc1ccccc1 7a_100000210340_100000210677 [0,2,0,0,0,0|1,0,1]=4 5119 B12R1.194 CCS(=O)(=O)Nc1ccccc1 232682a_100000106764_100000211323 [0,2,0,0,0,0|2,0,0]=4 5120 B12R1.194 CNC(F)(F)Oc1ccccc1 7a_106832991635_200000057402 [0,2,0,0,0,0|1,0,1]=4 5121 B12R1.194 CNS(=O)(=O)Cc1ccccc1 270084a_100102657272_100000211737 [0,2,0,0,0,0|2,0,0]=4 5122 B12R1.194 CNS(=O)(=O)Cc1ccccc1 274078a_100102657272_100000211737 [0,2,0,0,0,0|2,0,0]=4 5123 B12R1.194 CNS(=O)(=O)Cc1ccccc1 40a_100102657272_100000235865 [0,2,0,0,0,0|2,0,0]=4 5124 B12R1.194 CSC(F)(F)Oc1ccccc1 62a_200000057402_200000210301 [0,2,0,0,0,0|1,0,1]=4 5125 B12R1.194 CSC(F)(F)Oc1ccccc1 62a_200000210301_200000057402 [0,2,0,0,0,0|1,0,1]=4 5126 B12R1.194 [13CH3]SC(F)(F)Oc1ccccc1 62a_200000057402_200025704644 [0,2,0,0,0,0|1,0,1]=4 5127 B12R1.194 [13CH3]SC(F)(F)Oc1ccccc1 62a_200025704644_200000057402 [0,2,0,0,0,0|1,0,1]=4 5128 B12R1.371 C#CC(=O)Cc1ccccc1Br 1458a_100000211873_100000184730 [0,2,0,0,0,0|1,0,1]=4 5129 B12R1.371 C#CC(=O)Cc1ccccc1C 1458a_100000211873_100000211839 [0,2,0,0,0,0|1,0,1]=4 5130 B12R1.371 C#CC(=O)Cc1ccccc1Cl 1458a_100000211873_100000187162 [0,2,0,0,0,0|1,0,1]=4 5131 B12R1.371 C#CC(=O)Cc1ccccc1F 1458a_100000211873_100000187165 [0,2,0,0,0,0|1,0,1]=4 5132 B12R1.371 C#CC(=O)Cc1ccccc1I 1458a_100000211873_100011216222 [0,2,0,0,0,0|1,0,1]=4 5133 B12R1.371 C#CC(C)Oc1ccccc1Br 34a_100000181306_200000035995 [0,2,0,0,0,0|1,0,1]=4 5134 B12R1.371 C#CC(C)Oc1ccccc1C 34a_100000210338_200000035995 [0,2,0,0,0,0|1,0,1]=4 5135 B12R1.371 C#CC(C)Oc1ccccc1Cl 34a_100000210172_200000035995 [0,2,0,0,0,0|1,0,1]=4 5136 B12R1.371 C#CC(C)Oc1ccccc1F 34a_100000210171_200000035995 [0,2,0,0,0,0|1,0,1]=4 5137 B12R1.371 C#CC(C)Oc1ccccc1I 34a_100000739446_200000035995 [0,2,0,0,0,0|1,0,1]=4 5138 B12R1.371 C#CC(C)Oc1ccccc1N 34a_100000185747_200000035995 [0,2,0,0,0,0|1,0,1]=4 5139 B12R1.371 C=CC(=O)Cc1ccccc1Br 1458a_100000185746_100000184730 [0,2,0,0,0,0|1,0,1]=4 5140 B12R1.371 C=CC(=O)Cc1ccccc1C 1458a_100000185746_100000211839 [0,2,0,0,0,0|1,0,1]=4 5141 B12R1.371 C=CC(=O)Cc1ccccc1Cl 1458a_100000185746_100000187162 [0,2,0,0,0,0|1,0,1]=4 5142 B12R1.371 C=CC(=O)Cc1ccccc1F 1458a_100000185746_100000187165 [0,2,0,0,0,0|1,0,1]=4 5143 B12R1.371 C=CC(=O)Cc1ccccc1I 1458a_100000185746_100011216222 [0,2,0,0,0,0|1,0,1]=4 5144 B12R1.371 C=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000185746 [0,2,0,0,0,0|1,0,1]=4 5145 B12R1.371 C=CC(=O)Nc1ccccc1C 1626a_100015192222_100000185746 [0,2,0,0,0,0|1,0,1]=4 5146 B12R1.371 C=CC(=O)Nc1ccccc1C 22a_100015192222_100000185746 [0,2,0,0,0,0|1,0,1]=4 5147 B12R1.371 C=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000185746 [0,2,0,0,0,0|1,0,1]=4 5148 B12R1.371 C=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000185746 [0,2,0,0,0,0|1,0,1]=4 5149 B12R1.371 C=CC(=O)Nc1ccccc1F 1626a_100000210422_100000185746 [0,2,0,0,0,0|1,0,1]=4 5150 B12R1.371 C=CC(=O)Nc1ccccc1F 22a_100000210422_100000185746 [0,2,0,0,0,0|1,0,1]=4 5151 B12R1.371 C=CC(=O)Nc1ccccc1I 1626a_100000210053_100000185746 [0,2,0,0,0,0|1,0,1]=4 5152 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [0,2,0,0,0,0|1,0,1]=4 5153 B12R1.371 CC(C#N)Oc1ccccc1Br 7a_100000181306_100000703298 [0,2,0,0,0,0|1,0,1]=4 5154 B12R1.371 CC(C#N)Oc1ccccc1Cl 7a_100000210172_100000703298 [0,2,0,0,0,0|1,0,1]=4 5155 B12R1.371 CC(C#N)Oc1ccccc1F 7a_100000210171_100000703298 [0,2,0,0,0,0|1,0,1]=4 5156 B12R1.371 CC(C#N)Oc1ccccc1I 7a_100000739446_100000703298 [0,2,0,0,0,0|1,0,1]=4 5157 B12R1.371 CC(C#N)Oc1ccccc1N 7a_100000185747_100000703298 [0,2,0,0,0,0|1,0,1]=4 5158 B12R1.371 CC(CO)Oc1ccccc1Br 34a_100000181306_100012180447 [0,2,0,0,0,0|0,0,2]=4 5159 B12R1.371 CC(CO)Oc1ccccc1Br 7a_100000181306_100012180447 [0,2,0,0,0,0|0,0,2]=4 5160 B12R1.371 CC(CO)Oc1ccccc1Cl 34a_100000210172_100012180447 [0,2,0,0,0,0|0,0,2]=4 5161 B12R1.371 CC(CO)Oc1ccccc1Cl 7a_100000210172_100012180447 [0,2,0,0,0,0|0,0,2]=4 5162 B12R1.371 CC(CO)Oc1ccccc1F 34a_100000210171_100012180447 [0,2,0,0,0,0|0,0,2]=4 5163 B12R1.371 CC(CO)Oc1ccccc1F 7a_100000210171_100012180447 [0,2,0,0,0,0|0,0,2]=4 5164 B12R1.371 CC(CO)Oc1ccccc1I 34a_100000739446_100012180447 [0,2,0,0,0,0|0,0,2]=4 5165 B12R1.371 CC(CO)Oc1ccccc1I 7a_100000739446_100012180447 [0,2,0,0,0,0|0,0,2]=4 5166 B12R1.371 CC(CO)Oc1ccccc1N 34a_100000185747_100012180447 [0,2,0,0,0,0|0,0,2]=4 5167 B12R1.371 CC(CO)Oc1ccccc1N 7a_100000185747_100012180447 [0,2,0,0,0,0|0,0,2]=4 5168 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000210414_100000184730 [0,2,0,0,0,0|1,0,0]=3 5169 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210202 [0,2,0,0,0,0|1,0,0]=3 5170 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000210414_100000211839 [0,2,0,0,0,0|1,0,0]=3 5171 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000212180_100000210202 [0,2,0,0,0,0|1,0,0]=3 5172 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210202 [0,2,0,0,0,0|1,0,0]=3 5173 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000210414_100000187162 [0,2,0,0,0,0|1,0,0]=3 5174 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000210414_100000187165 [0,2,0,0,0,0|1,0,0]=3 5175 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000212012_100000210202 [0,2,0,0,0,0|1,0,0]=3 5176 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000036491_100000210202 [0,2,0,0,0,0|1,0,0]=3 5177 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000210414_100011216222 [0,2,0,0,0,0|1,0,0]=3 5178 B12R1.371 CCC(=O)Cc1ccccc1O 1458a_100000743006_100000210202 [0,2,0,0,0,0|1,0,0]=3 5179 B12R1.371 CCC(=O)Cc1cccnc1Br 1458a_100000210414_100010140945 [0,2,0,0,0,0|2,0,0]=4 5180 B12R1.371 CCC(=O)Cc1cccnc1C 1458a_100000210414_100000732876 [0,2,0,0,0,0|2,0,0]=4 5181 B12R1.371 CCC(=O)Cc1cccnc1Cl 1458a_100000093521_100000210202 [0,2,0,0,0,0|2,0,0]=4 5182 B12R1.371 CCC(=O)Cc1cccnc1Cl 1458a_100000210414_100000045678 [0,2,0,0,0,0|2,0,0]=4 5183 B12R1.371 CCC(=O)Cc1cccnc1F 1458a_100000210414_100000099810 [0,2,0,0,0,0|2,0,0]=4 5184 B12R1.371 CCC(=O)Cc1ccncc1C 1458a_100000210414_100020672808 [0,2,0,0,0,0|2,0,0]=4 5185 B12R1.371 CCC(=O)Cc1ccncc1Cl 1458a_100000210414_100000763264 [0,2,0,0,0,0|2,0,0]=4 5186 B12R1.371 CCC(=O)Cc1cnccc1C 1458a_100000210414_100000690890 [0,2,0,0,0,0|2,0,0]=4 5187 B12R1.371 CCC(=O)Cc1ncccc1Br 1458a_100000210414_100025702911 [0,2,0,0,0,0|2,0,0]=4 5188 B12R1.371 CCC(=O)Cc1ncccc1Br 1458a_200012357574_100000210202 [0,2,0,0,0,0|2,0,0]=4 5189 B12R1.371 CCC(=O)Cc1ncccc1C 1458a_100000210414_100000696600 [0,2,0,0,0,0|2,0,0]=4 5190 B12R1.371 CCC(=O)Cc1ncccc1C 1458a_200000722269_100000210202 [0,2,0,0,0,0|2,0,0]=4 5191 B12R1.371 CCC(=O)Cc1ncccc1Cl 1458a_100000210414_100000099807 [0,2,0,0,0,0|2,0,0]=4 5192 B12R1.371 CCC(=O)Cc1ncccc1Cl 1458a_100011998755_100000210202 [0,2,0,0,0,0|2,0,0]=4 5193 B12R1.371 CCC(=O)Cc1ncccc1F 1458a_100000210414_100000104219 [0,2,0,0,0,0|2,0,0]=4 5194 B12R1.371 CCC(=O)Cc1ncccc1O 1458a_100000210414_200020655725 [0,2,0,0,0,0|2,0,0]=4 5195 B12R1.371 CCC(=O)Cn1ccccc1=O 1458a_100000189665_100000210202 [0,2,0,0,0,0|2,0,0]=4 5196 B12R1.371 CCC(=O)Nc1ccccc1Br 11a_100000210017_100000210414 [0,2,0,0,0,0|1,0,0]=3 5197 B12R1.371 CCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210414 [0,2,0,0,0,0|1,0,0]=3 5198 B12R1.371 CCC(=O)Nc1ccccc1C 11a_100015192222_100000210414 [0,2,0,0,0,0|1,0,0]=3 5199 B12R1.371 CCC(=O)Nc1ccccc1C 1626a_100015192222_100000210414 [0,2,0,0,0,0|1,0,0]=3 5200 B12R1.371 CCC(=O)Nc1ccccc1C 22a_100015192222_100000210414 [0,2,0,0,0,0|1,0,0]=3 5201 B12R1.371 CCC(=O)Nc1ccccc1C 527a_100015192222_100000210414 [0,2,0,0,0,0|1,0,0]=3 5202 B12R1.371 CCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210414 [0,2,0,0,0,0|1,0,0]=3 5203 B12R1.371 CCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210414 [0,2,0,0,0,0|1,0,0]=3 5204 B12R1.371 CCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210414 [0,2,0,0,0,0|1,0,0]=3 5205 B12R1.371 CCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210414 [0,2,0,0,0,0|1,0,0]=3 5206 B12R1.371 CCC(=O)Nc1ccccc1F 11a_100000210422_100000210414 [0,2,0,0,0,0|1,0,0]=3 5207 B12R1.371 CCC(=O)Nc1ccccc1F 1626a_100000210422_100000210414 [0,2,0,0,0,0|1,0,0]=3 5208 B12R1.371 CCC(=O)Nc1ccccc1F 22a_100000210422_100000210414 [0,2,0,0,0,0|1,0,0]=3 5209 B12R1.371 CCC(=O)Nc1ccccc1F 527a_100000210422_100000210414 [0,2,0,0,0,0|1,0,0]=3 5210 B12R1.371 CCC(=O)Nc1ccccc1I 11a_100000210053_100000210414 [0,2,0,0,0,0|1,0,0]=3 5211 B12R1.371 CCC(=O)Nc1ccccc1I 1626a_100000210053_100000210414 [0,2,0,0,0,0|1,0,0]=3 5212 B12R1.371 CCC(=O)Nc1ccccc1O 22a_100000185747_100000210414 [0,2,0,0,0,0|1,0,0]=3 5213 B12R1.371 CCC(=O)Nc1ccccc1O 271570a_203496583355_100000153536 [0,2,0,0,0,0|1,0,0]=3 5214 B12R1.371 CCC(=O)Nc1ccccc1O 527a_100000185747_100000210414 [0,2,0,0,0,0|1,0,0]=3 5215 B12R1.371 CCC(C)Oc1ccccc1Br 34a_100000181306_100011215416 [0,2,0,0,0,0|1,0,1]=4 5216 B12R1.371 CCC(C)Oc1ccccc1Br 7a_100000181306_100000758301 [0,2,0,0,0,0|1,0,1]=4 5217 B12R1.371 CCC(C)Oc1ccccc1C 34a_100000210338_100011215416 [0,2,0,0,0,0|1,0,1]=4 5218 B12R1.371 CCC(C)Oc1ccccc1C 7a_100000210338_100000758301 [0,2,0,0,0,0|1,0,1]=4 5219 B12R1.371 CCC(C)Oc1ccccc1Cl 34a_100000210172_100011215416 [0,2,0,0,0,0|1,0,1]=4 5220 B12R1.371 CCC(C)Oc1ccccc1Cl 7a_100000210172_100000758301 [0,2,0,0,0,0|1,0,1]=4 5221 B12R1.371 CCC(C)Oc1ccccc1F 34a_100000210171_100011215416 [0,2,0,0,0,0|1,0,1]=4 5222 B12R1.371 CCC(C)Oc1ccccc1F 7a_100000210171_100000758301 [0,2,0,0,0,0|1,0,1]=4 5223 B12R1.371 CCC(C)Oc1ccccc1I 34a_100000739446_100011215416 [0,2,0,0,0,0|1,0,1]=4 5224 B12R1.371 CCC(C)Oc1ccccc1I 7a_100000739446_100000758301 [0,2,0,0,0,0|1,0,1]=4 5225 B12R1.371 CCC(C)Oc1ccccc1N 34a_100000185747_100011215416 [0,2,0,0,0,0|1,0,1]=4 5226 B12R1.371 CCC(C)Oc1ccccc1N 7a_100000185747_100000758301 [0,2,0,0,0,0|1,0,1]=4 5227 B12R1.371 CNC(=O)Cc1ccccc1Br 11a_106832991635_100000751119 [0,2,0,0,0,0|1,0,0]=3 5228 B12R1.371 CNC(=O)Cc1ccccc1Br 240690a_100102657272_100000751119 [0,2,0,0,0,0|1,0,0]=3 5229 B12R1.371 CNC(=O)Cc1ccccc1Br 527a_100102657272_100000751119 [0,2,0,0,0,0|1,0,0]=3 5230 B12R1.371 CNC(=O)Cc1ccccc1C 11a_106832991635_100000212180 [0,2,0,0,0,0|1,0,0]=3 5231 B12R1.371 CNC(=O)Cc1ccccc1C 1626a_100102657272_100000212180 [0,2,0,0,0,0|1,0,0]=3 5232 B12R1.371 CNC(=O)Cc1ccccc1C 240690a_100102657272_100000212180 [0,2,0,0,0,0|1,0,0]=3 5233 B12R1.371 CNC(=O)Cc1ccccc1C 527a_100102657272_100000212180 [0,2,0,0,0,0|1,0,0]=3 5234 B12R1.371 CNC(=O)Cc1ccccc1Cl 11a_106832991635_100000183793 [0,2,0,0,0,0|1,0,0]=3 5235 B12R1.371 CNC(=O)Cc1ccccc1Cl 1626a_100102657272_100000183793 [0,2,0,0,0,0|1,0,0]=3 5236 B12R1.371 CNC(=O)Cc1ccccc1Cl 240690a_100102657272_100000183793 [0,2,0,0,0,0|1,0,0]=3 5237 B12R1.371 CNC(=O)Cc1ccccc1Cl 527a_100102657272_100000183793 [0,2,0,0,0,0|1,0,0]=3 5238 B12R1.371 CNC(=O)Cc1ccccc1F 11a_106832991635_100000212012 [0,2,0,0,0,0|1,0,0]=3 5239 B12R1.371 CNC(=O)Cc1ccccc1F 1626a_100102657272_100000212012 [0,2,0,0,0,0|1,0,0]=3 5240 B12R1.371 CNC(=O)Cc1ccccc1F 240690a_100102657272_100000212012 [0,2,0,0,0,0|1,0,0]=3 5241 B12R1.371 CNC(=O)Cc1ccccc1F 527a_100102657272_100000212012 [0,2,0,0,0,0|1,0,0]=3 5242 B12R1.371 CNC(=O)Cc1ccccc1I 11a_106832991635_100000036491 [0,2,0,0,0,0|1,0,0]=3 5243 B12R1.371 CNC(=O)Cc1ccccc1I 1626a_100102657272_100000036491 [0,2,0,0,0,0|1,0,0]=3 5244 B12R1.371 CNC(=O)Cc1ccccc1I 240690a_100102657272_100000036491 [0,2,0,0,0,0|1,0,0]=3 5245 B12R1.371 CNC(=O)Cc1ccccc1I 527a_100102657272_100000036491 [0,2,0,0,0,0|1,0,0]=3 5246 B12R1.371 CNC(=O)Cc1ccccc1O 240690a_100102657272_100000743006 [0,2,0,0,0,0|1,0,0]=3 5247 B12R1.371 CNC(=O)Cc1ccccc1O 271570a_203496583355_200009816160 [0,2,0,0,0,0|1,0,0]=3 5248 B12R1.371 CNC(=O)Cc1ccccc1O 527a_100102657272_100000743006 [0,2,0,0,0,0|1,0,0]=3 5249 B12R1.371 CNC(=O)Cc1cccnc1Cl 11a_106832991635_100000093521 [0,2,0,0,0,0|2,0,0]=4 5250 B12R1.371 CNC(=O)Cc1cccnc1Cl 1626a_100102657272_100000093521 [0,2,0,0,0,0|2,0,0]=4 5251 B12R1.371 CNC(=O)Cc1cccnc1Cl 240690a_100102657272_100000093521 [0,2,0,0,0,0|2,0,0]=4 5252 B12R1.371 CNC(=O)Cc1cccnc1Cl 527a_100102657272_100000093521 [0,2,0,0,0,0|2,0,0]=4 5253 B12R1.371 CNC(=O)Cc1ncccc1Br 11a_106832991635_200012357574 [0,2,0,0,0,0|2,0,0]=4 5254 B12R1.371 CNC(=O)Cc1ncccc1Br 240690a_100102657272_200012357574 [0,2,0,0,0,0|2,0,0]=4 5255 B12R1.371 CNC(=O)Cc1ncccc1C 11a_106832991635_200000722269 [0,2,0,0,0,0|2,0,0]=4 5256 B12R1.371 CNC(=O)Cc1ncccc1C 1626a_100102657272_200000722269 [0,2,0,0,0,0|2,0,0]=4 5257 B12R1.371 CNC(=O)Cc1ncccc1C 240690a_100102657272_200000722269 [0,2,0,0,0,0|2,0,0]=4 5258 B12R1.371 CNC(=O)Cc1ncccc1Cl 11a_106832991635_100011998755 [0,2,0,0,0,0|2,0,0]=4 5259 B12R1.371 CNC(=O)Cc1ncccc1Cl 240690a_100102657272_100011998755 [0,2,0,0,0,0|2,0,0]=4 5260 B12R1.371 CNC(=O)Cc1ncccc1Cl 527a_100102657272_100011998755 [0,2,0,0,0,0|2,0,0]=4 5261 B12R1.371 CNC(=O)Cn1ccccc1=O 1626a_100102657272_100000189665 [0,2,0,0,0,0|2,0,0]=4 5262 B12R1.371 CNC(=O)Cn1ccccc1=O 240690a_100102657272_100000189665 [0,2,0,0,0,0|2,0,0]=4 5263 B12R1.371 CNC(=O)Cn1ccccc1=O 527a_100102657272_100000189665 [0,2,0,0,0,0|2,0,0]=4 5264 B12R1.371 CNC(=O)Nc1ccccc1Br 2430a_100000210017_100102657272 [0,2,0,0,0,0|1,0,0]=3 5265 B12R1.371 CNC(=O)Nc1ccccc1C 2430a_100015192222_100102657272 [0,2,0,0,0,0|1,0,0]=3 5266 B12R1.371 CNC(=O)Nc1ccccc1Cl 2430a_100000185783_100102657272 [0,2,0,0,0,0|1,0,0]=3 5267 B12R1.371 CNC(=O)Nc1ccccc1F 2430a_100000210422_100102657272 [0,2,0,0,0,0|1,0,0]=3 5268 B12R1.371 CNC(=O)Nc1ccccc1I 2430a_100000210053_100102657272 [0,2,0,0,0,0|1,0,0]=3 5269 B12R1.371 CNC(=O)Nc1ccccc1O 2430a_100000185747_100102657272 [0,2,0,0,0,0|1,0,0]=3 5270 B12R1.371 COC(=O)Cc1ccccc1O 271570a_203496583355_100000699816 [0,2,0,0,0,0|1,0,0]=3 5271 B12R1.371 COC(=O)Cc1cccnc1O 271570a_203496583355_100010293180 [0,2,0,0,0,0|2,0,0]=4 5272 B12R1.371 COC(=O)Cc1ncccc1O 271570a_203496583355_100012347948 [0,2,0,0,0,0|2,0,0]=4 5273 B12R1.371 COC(=O)Nc1ccccc1O 271570a_203496583355_100000216184 [0,2,0,0,0,0|1,0,0]=3 5274 B12R1.371 Cc1ccccc1CC(=O)CF 1458a_100000212180_100015361967 [0,2,0,0,0,0|1,0,0]=3 5275 B12R1.371 Cc1ccccc1CC(=O)CO 1458a_100000210174_100000211839 [0,2,0,0,0,0|1,0,0]=3 5276 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [0,2,0,0,0,0|1,0,0]=3 5277 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [0,2,0,0,0,0|1,0,0]=3 5278 B12R1.371 Cc1ccccc1OC(C)C#N 7a_100000210338_100000703298 [0,2,0,0,0,0|1,0,1]=4 5279 B12R1.371 Cc1ccccc1OC(C)CO 34a_100000210338_100012180447 [0,2,0,0,0,0|0,0,2]=4 5280 B12R1.371 Cc1ccccc1OC(C)CO 7a_100000210338_100012180447 [0,2,0,0,0,0|0,0,2]=4 5281 B12R1.371 Cc1cccnc1CC(=O)CF 1458a_200000722269_100015361967 [0,2,0,0,0,0|2,0,0]=4 5282 B12R1.371 Cc1cccnc1CC(=O)CO 1458a_100000210174_100000696600 [0,2,0,0,0,0|2,0,0]=4 5283 B12R1.371 Cc1ccncc1CC(=O)CO 1458a_100000210174_100000690890 [0,2,0,0,0,0|2,0,0]=4 5284 B12R1.371 Cc1cnccc1CC(=O)CO 1458a_100000210174_100020672808 [0,2,0,0,0,0|2,0,0]=4 5285 B12R1.371 Cc1ncccc1CC(=O)CO 1458a_100000210174_100000732876 [0,2,0,0,0,0|2,0,0]=4 5286 B12R1.371 NNC(=O)Cc1ccccc1O 271570a_203496583355_200010210069 [0,2,0,0,0,0|2,0,0]=4 5287 B12R1.371 O=C(CF)Cc1ccccc1Br 1458a_100000751119_100015361967 [0,2,0,0,0,0|1,0,0]=3 5288 B12R1.371 O=C(CF)Cc1ccccc1Cl 1458a_100000183793_100015361967 [0,2,0,0,0,0|1,0,0]=3 5289 B12R1.371 O=C(CF)Cc1ccccc1F 1458a_100000212012_100015361967 [0,2,0,0,0,0|1,0,0]=3 5290 B12R1.371 O=C(CF)Cc1ccccc1I 1458a_100000036491_100015361967 [0,2,0,0,0,0|1,0,0]=3 5291 B12R1.371 O=C(CF)Cc1ccccc1O 1458a_100000743006_100015361967 [0,2,0,0,0,0|1,0,0]=3 5292 B12R1.371 O=C(CF)Cc1cccnc1Cl 1458a_100000093521_100015361967 [0,2,0,0,0,0|2,0,0]=4 5293 B12R1.371 O=C(CF)Cc1ncccc1Br 1458a_200012357574_100015361967 [0,2,0,0,0,0|2,0,0]=4 5294 B12R1.371 O=C(CF)Cc1ncccc1Cl 1458a_100011998755_100015361967 [0,2,0,0,0,0|2,0,0]=4 5295 B12R1.371 O=C(CF)Cn1ccccc1=O 1458a_100000189665_100015361967 [0,2,0,0,0,0|2,0,0]=4 5296 B12R1.371 O=C(CO)Cc1ccccc1Br 1458a_100000210174_100000184730 [0,2,0,0,0,0|1,0,0]=3 5297 B12R1.371 O=C(CO)Cc1ccccc1Cl 1458a_100000210174_100000187162 [0,2,0,0,0,0|1,0,0]=3 5298 B12R1.371 O=C(CO)Cc1ccccc1F 1458a_100000210174_100000187165 [0,2,0,0,0,0|1,0,0]=3 5299 B12R1.371 O=C(CO)Cc1ccccc1I 1458a_100000210174_100011216222 [0,2,0,0,0,0|1,0,0]=3 5300 B12R1.371 O=C(CO)Cc1cccnc1Br 1458a_100000210174_100010140945 [0,2,0,0,0,0|2,0,0]=4 5301 B12R1.371 O=C(CO)Cc1cccnc1Cl 1458a_100000210174_100000045678 [0,2,0,0,0,0|2,0,0]=4 5302 B12R1.371 O=C(CO)Cc1cccnc1F 1458a_100000210174_100000099810 [0,2,0,0,0,0|2,0,0]=4 5303 B12R1.371 O=C(CO)Cc1ccncc1Cl 1458a_100000210174_100000763264 [0,2,0,0,0,0|2,0,0]=4 5304 B12R1.371 O=C(CO)Cc1ncccc1Br 1458a_100000210174_100025702911 [0,2,0,0,0,0|2,0,0]=4 5305 B12R1.371 O=C(CO)Cc1ncccc1Cl 1458a_100000210174_100000099807 [0,2,0,0,0,0|2,0,0]=4 5306 B12R1.371 O=C(CO)Cc1ncccc1F 1458a_100000210174_100000104219 [0,2,0,0,0,0|2,0,0]=4 5307 B12R1.371 O=C(CO)Cc1ncccc1O 1458a_100000210174_200020655725 [0,2,0,0,0,0|2,0,0]=4 5308 B12R1.371 O=C(CO)Nc1ccccc1Cl 22a_100000185783_100000210174 [0,2,0,0,0,0|1,0,0]=3 5309 B12R1.371 O=C(CO)Nc1ccccc1Cl 527a_100000185783_100000210174 [0,2,0,0,0,0|1,0,0]=3 5310 B12R1.371 O=C(CO)Nc1ccccc1F 22a_100000210422_100000210174 [0,2,0,0,0,0|1,0,0]=3 5311 B12R1.371 O=C(CO)Nc1ccccc1F 527a_100000210422_100000210174 [0,2,0,0,0,0|1,0,0]=3 5312 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [0,2,0,0,0,0|1,0,0]=3 5313 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [0,2,0,0,0,0|1,0,0]=3 5314 B12R1.75 C#Cc1ccccc1NC(=O)C 11a_100011470550_100015343762 [0,2,0,0,0,0|1,0,0]=3 5315 B12R1.75 C#Cc1ccccc1NC(=O)C 1626a_100011470550_100015343762 [0,2,0,0,0,0|1,0,0]=3 5316 B12R1.75 C#Cc1ccccc1NC(=O)C 22a_100011470550_100000070787 [0,2,0,0,0,0|1,0,0]=3 5317 B12R1.75 C#Cc1ccccc1OC(C)C 34a_200011470546_100000210206 [0,2,0,0,0,0|1,0,1]=4 5318 B12R1.75 C#Cc1ccccc1OC(C)C 7a_200011470546_100000210206 [0,2,0,0,0,0|1,0,1]=4 5319 B12R1.75 C=Cc1ccccc1CC(=O)C 271570a_100011290941_100011350739 [0,2,0,0,0,0|1,0,0]=3 5320 B12R1.75 C=Cc1ccccc1CC(=O)N 271570a_100011290941_200009814924 [0,2,0,0,0,0|2,0,0]=4 5321 B12R1.75 C=Cc1ccccc1NC(=O)C 11a_100012022501_100015343762 [0,2,0,0,0,0|1,0,0]=3 5322 B12R1.75 C=Cc1ccccc1NC(=O)C 1626a_100012022501_100015343762 [0,2,0,0,0,0|1,0,0]=3 5323 B12R1.75 C=Cc1ccccc1NC(=O)C 22a_100012022501_100000070787 [0,2,0,0,0,0|1,0,0]=3 5324 B12R1.75 C=Cc1ccccc1NC(=O)C 271570a_100011290941_100000153524 [0,2,0,0,0,0|1,0,0]=3 5325 B12R1.75 C=Cc1ccccc1NC(=O)N 271570a_100011290941_100000742221 [0,2,0,0,0,0|2,0,0]=4 5326 B12R1.75 C=Cc1ccccc1OC(=O)C 271570a_100011290941_100000051690 [0,2,0,0,0,0|0,0,0]=2 5327 B12R1.75 C=Cc1ccccc1OC(C)C 271570a_100011290941_100000173919 [0,2,0,0,0,0|1,0,1]=4 5328 B12R1.75 C=Cc1cnccc1NC(=O)C 271570a_100011290941_100016132053 [0,2,0,0,0,0|2,0,0]=4 5329 B12R1.75 C=Cc1ncccc1OC(=O)C 271570a_100011290941_200009815371 [0,2,0,0,0,0|1,0,0]=3 5330 B12R1.75 CC(=Cc1ccccc1C#N)C 271570a_100102525489_100000188569 [0,2,0,0,0,0|2,0,0]=4 5331 B12R1.75 CC(=Cc1ccccc1C=O)C 271570a_100102525489_100000211189 [0,2,0,0,0,0|2,0,0]=4 5332 B12R1.75 CC(=Cc1ccccc1CN)C 271570a_100102525489_100000689332 [0,2,0,0,0,0|2,0,0]=4 5333 B12R1.75 CC(=Cc1ccccc1CO)C 271570a_100102525489_100000187465 [0,2,0,0,0,0|2,0,0]=4 5334 B12R1.75 CC(=Cc1ccccc1NN)C 271570a_100102525489_100000241748 [0,2,0,0,0,0|2,0,0]=4 5335 B12R1.75 CC(=O)Cc1ccccc1C#N 1458a_100000070787_100000181865 [0,2,0,0,0,0|1,0,0]=3 5336 B12R1.75 CC(=O)Cc1ccccc1C#N 1458a_100000238613_200000210301 [0,2,0,0,0,0|1,0,0]=3 5337 B12R1.75 CC(=O)Cc1ccccc1C=O 1458a_100000070787_200009853537 [0,2,0,0,0,0|1,0,0]=3 5338 B12R1.75 CC(=O)Cc1ccccc1CO 1458a_100000070787_100009816955 [0,2,0,0,0,0|1,0,0]=3 5339 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_100011350739_200025704644 [0,2,0,0,0,0|1,0,0]=3 5340 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_100011350739 [0,2,0,0,0,0|1,0,0]=3 5341 B12R1.75 CC(=O)Cc1cccnc1C#N 1458a_100000070787_100011768898 [0,2,0,0,0,0|2,0,0]=4 5342 B12R1.75 CC(=O)Cc1ncccc1C#N 1458a_100000070787_100000099805 [0,2,0,0,0,0|2,0,0]=4 5343 B12R1.75 CC(=O)Nc1ccccc1C#N 11a_100000211148_100015343762 [0,2,0,0,0,0|1,0,0]=3 5344 B12R1.75 CC(=O)Nc1ccccc1C#N 1626a_100000211148_100015343762 [0,2,0,0,0,0|1,0,0]=3 5345 B12R1.75 CC(=O)Nc1ccccc1CO 22a_100000212039_100000070787 [0,2,0,0,0,0|1,0,0]=3 5346 B12R1.75 CC(=O)Nc1ccccc1N[13CH3] 34a_100011193560_200025704644 [0,2,0,0,0,0|1,0,0]=3 5347 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 34a_100000185124_200025704644 [0,2,0,0,0,0|1,0,0]=3 5348 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 7a_100000185124_200025704644 [0,2,0,0,0,0|1,0,0]=3 5349 B12R1.75 CC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000153524 [0,2,0,0,0,0|1,0,0]=3 5350 B12R1.75 CC(=O)Nc1ccncc1S[13CH3] 62a_200025704644_100016132053 [0,2,0,0,0,0|2,0,0]=4 5351 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 34a_200000022013_200025704644 [0,2,0,0,0,0|2,0,0]=4 5352 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 7a_200000022013_200025704644 [0,2,0,0,0,0|2,0,0]=4 5353 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_100000051690_200025704644 [0,2,0,0,0,0|0,0,0]=2 5354 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_200025704644_100000051690 [0,2,0,0,0,0|0,0,0]=2 5355 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200009815371_200025704644 [0,2,0,0,0,0|1,0,0]=3 5356 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200025704644_200009815371 [0,2,0,0,0,0|1,0,0]=3 5357 B12R1.75 CC(C)Oc1ccccc1C#N 34a_100000211048_100000210206 [0,2,0,0,0,0|1,0,1]=4 5358 B12R1.75 CC(C)Oc1ccccc1C#N 7a_100000211048_100000210206 [0,2,0,0,0,0|1,0,1]=4 5359 B12R1.75 CC(C)Oc1ccccc1CN 34a_100000185550_100000210206 [0,2,0,0,0,0|1,0,1]=4 5360 B12R1.75 CC(C)Oc1ccccc1CO 34a_100011216872_100000210206 [0,2,0,0,0,0|1,0,1]=4 5361 B12R1.75 CC(C)Oc1ccccc1N[13CH3] 2230a_100000739276_200025704644 [0,2,0,0,0,0|1,0,1]=4 5362 B12R1.75 CC(C)Oc1ccccc1N[13CH3] 34a_100000739276_200025704644 [0,2,0,0,0,0|1,0,1]=4 5363 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 34a_100011218612_200025704644 [0,2,0,0,0,0|1,0,1]=4 5364 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 7a_100011218612_200025704644 [0,2,0,0,0,0|1,0,1]=4 5365 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_100000173919_200025704644 [0,2,0,0,0,0|1,0,1]=4 5366 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_200025704644_100000173919 [0,2,0,0,0,0|1,0,1]=4 5367 B12R1.75 CCc1ccccc1C=C(C)C 271570a_100102525489_100011215823 [0,2,0,0,0,0|2,0,0]=4 5368 B12R1.75 CCc1ccccc1NC(=O)C 11a_100000212081_100015343762 [0,2,0,0,0,0|1,0,0]=3 5369 B12R1.75 CCc1ccccc1NC(=O)C 1626a_100000212081_100015343762 [0,2,0,0,0,0|1,0,0]=3 5370 B12R1.75 CCc1ccccc1NC(=O)C 22a_100000212081_100000070787 [0,2,0,0,0,0|1,0,0]=3 5371 B12R1.75 CCc1ccccc1NC(=O)C 527a_100000212081_100103153847 [0,2,0,0,0,0|1,0,0]=3 5372 B12R1.75 CCc1ccccc1OC(C)C 34a_100000210936_100000210206 [0,2,0,0,0,0|1,0,1]=4 5373 B12R1.75 CCc1ccccc1OC(C)C 7a_100000210936_100000210206 [0,2,0,0,0,0|1,0,1]=4 5374 B12R1.75 CNc1ccccc1C=C(C)C 271570a_100102525489_100020606079 [0,2,0,0,0,0|2,0,0]=4 5375 B12R1.75 CNc1ccccc1NC(=O)C 34a_100011193560_200000210301 [0,2,0,0,0,0|1,0,0]=3 5376 B12R1.75 CNc1ccccc1OC(C)C 2230a_100000739276_200000210301 [0,2,0,0,0,0|1,0,1]=4 5377 B12R1.75 CNc1ccccc1OC(C)C 34a_100000033821_100000210206 [0,2,0,0,0,0|1,0,1]=4 5378 B12R1.75 CNc1ccccc1OC(C)C 34a_100000739276_200000210301 [0,2,0,0,0,0|1,0,1]=4 5379 B12R1.75 COc1ccccc1C=C(C)C 271570a_100102525489_100000174000 [0,2,0,0,0,0|2,0,0]=4 5380 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000070787_100000210004 [0,2,0,0,0,0|1,0,0]=3 5381 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000211604_200000210301 [0,2,0,0,0,0|1,0,0]=3 5382 B12R1.75 COc1ccccc1CC(=O)[13CH3] 1458a_100000211604_200025704644 [0,2,0,0,0,0|1,0,0]=3 5383 B12R1.75 COc1ccccc1NC(=O)C 11a_100000210025_100015343762 [0,2,0,0,0,0|1,0,0]=3 5384 B12R1.75 COc1ccccc1NC(=O)C 1626a_100000210025_100015343762 [0,2,0,0,0,0|1,0,0]=3 5385 B12R1.75 COc1ccccc1NC(=O)C 22a_100000210025_100000070787 [0,2,0,0,0,0|1,0,0]=3 5386 B12R1.75 COc1ccccc1NC(=O)C 34a_100000185124_200000210301 [0,2,0,0,0,0|1,0,0]=3 5387 B12R1.75 COc1ccccc1NC(=O)C 527a_100000210025_100103153847 [0,2,0,0,0,0|1,0,0]=3 5388 B12R1.75 COc1ccccc1NC(=O)C 7a_100000185124_200000210301 [0,2,0,0,0,0|1,0,0]=3 5389 B12R1.75 COc1ccccc1OC(C)C 34a_100000210385_100000210206 [0,2,0,0,0,0|1,0,1]=4 5390 B12R1.75 COc1ccccc1OC(C)C 34a_100011218612_200000210301 [0,2,0,0,0,0|1,0,1]=4 5391 B12R1.75 COc1ccccc1OC(C)C 7a_100011218612_200000210301 [0,2,0,0,0,0|1,0,1]=4 5392 B12R1.75 COc1cccnc1NC(=O)C 34a_200000022013_200000210301 [0,2,0,0,0,0|2,0,0]=4 5393 B12R1.75 COc1cccnc1NC(=O)C 7a_200000022013_200000210301 [0,2,0,0,0,0|2,0,0]=4 5394 B12R1.75 COc1cnccc1CC(=O)C 1458a_100000070787_100020635607 [0,2,0,0,0,0|2,0,0]=4 5395 B12R1.75 COc1ncccc1CC(=O)C 1458a_100000070787_100020631285 [0,2,0,0,0,0|2,0,0]=4 5396 B12R1.75 CSc1ccccc1C=C(C)C 271570a_100102525489_100011217816 [0,2,0,0,0,0|2,0,0]=4 5397 B12R1.75 CSc1ccccc1CC(=O)C 1458a_100000070787_100000699184 [0,2,0,0,0,0|1,0,0]=3 5398 B12R1.75 CSc1ccccc1CC(=O)C 62a_100011350739_200000210301 [0,2,0,0,0,0|1,0,0]=3 5399 B12R1.75 CSc1ccccc1CC(=O)C 62a_200000210301_100011350739 [0,2,0,0,0,0|1,0,0]=3 5400 B12R1.75 CSc1ccccc1CC(=O)N 62a_200000210301_200009814924 [0,2,0,0,0,0|2,0,0]=4 5401 B12R1.75 CSc1ccccc1CC(=O)N 62a_200009814924_200000210301 [0,2,0,0,0,0|2,0,0]=4 5402 B12R1.75 CSc1ccccc1NC(=O)C 11a_100000211160_100015343762 [0,2,0,0,0,0|1,0,0]=3 5403 B12R1.75 CSc1ccccc1NC(=O)C 22a_100000211160_100000070787 [0,2,0,0,0,0|1,0,0]=3 5404 B12R1.75 CSc1ccccc1NC(=O)C 62a_200000210301_100000153524 [0,2,0,0,0,0|1,0,0]=3 5405 B12R1.75 CSc1ccccc1NC(=O)N 62a_200000210301_100000742221 [0,2,0,0,0,0|2,0,0]=4 5406 B12R1.75 CSc1ccccc1OC(=O)C 62a_100000051690_200000210301 [0,2,0,0,0,0|0,0,0]=2 5407 B12R1.75 CSc1ccccc1OC(=O)C 62a_200000210301_100000051690 [0,2,0,0,0,0|0,0,0]=2 5408 B12R1.75 CSc1ccccc1OC(C)C 34a_100011216402_100000210206 [0,2,0,0,0,0|1,0,1]=4 5409 B12R1.75 CSc1ccccc1OC(C)C 62a_100000173919_200000210301 [0,2,0,0,0,0|1,0,1]=4 5410 B12R1.75 CSc1ccccc1OC(C)C 62a_200000210301_100000173919 [0,2,0,0,0,0|1,0,1]=4 5411 B12R1.75 CSc1cnccc1NC(=O)C 62a_200000210301_100016132053 [0,2,0,0,0,0|2,0,0]=4 5412 B12R1.75 CSc1ncccc1OC(=O)C 62a_200000210301_200009815371 [0,2,0,0,0,0|1,0,0]=3 5413 B12R1.75 CSc1ncccc1OC(=O)C 62a_200009815371_200000210301 [0,2,0,0,0,0|1,0,0]=3 5414 B12R1.75 [13CH3]C(=O)Cc1ccccc1C#N 1458a_100000238613_200025704644 [0,2,0,0,0,0|1,0,0]=3 5415 B12R1.75 [13CH3]Sc1ccccc1CC(=O)N 62a_200009814924_200025704644 [0,2,0,0,0,0|2,0,0]=4 5416 B12R1.75 [13CH3]Sc1ccccc1CC(=O)N 62a_200025704644_200009814924 [0,2,0,0,0,0|2,0,0]=4 5417 B12R1.75 [13CH3]Sc1ccccc1NC(=O)N 62a_200025704644_100000742221 [0,2,0,0,0,0|2,0,0]=4 5418 B12R1.127 CC(=Cc1cc(ccc1Br)Br)C 271570a_100102525489_100011483371 [0,2,0,0,0,0|2,0,0]=4 5419 B12R1.127 CC(=Cc1cc(ccc1Br)C)C 271570a_100102525489_100012353751 [0,2,0,0,0,0|2,0,0]=4 5420 B12R1.127 CC(=Cc1cc(ccc1Br)Cl)C 271570a_100102525489_100012339723 [0,2,0,0,0,0|2,0,0]=4 5421 B12R1.127 CC(=Cc1cc(ccc1Br)F)C 271570a_100102525489_100011217576 [0,2,0,0,0,0|2,0,0]=4 5422 B12R1.127 CC(=Cc1cc(ccc1Br)N)C 271570a_100102525489_100000750459 [0,2,0,0,0,0|2,0,0]=4 5423 B12R1.127 CC(=Cc1cc(ccc1Br)O)C 271570a_100102525489_100012339312 [0,2,0,0,0,0|2,0,0]=4 5424 B12R1.127 CC(=Cc1cc(ccc1C)Br)C 271570a_100102525489_100011344865 [0,2,0,0,0,0|2,0,0]=4 5425 B12R1.127 CC(=Cc1cc(ccc1C)C)C 271570a_100102525489_100000210833 [0,2,0,0,0,0|2,0,0]=4 5426 B12R1.127 CC(=Cc1cc(ccc1C)Cl)C 271570a_100102525489_100011263213 [0,2,0,0,0,0|2,0,0]=4 5427 B12R1.127 CC(=Cc1cc(ccc1C)F)C 271570a_100102525489_100011218078 [0,2,0,0,0,0|2,0,0]=4 5428 B12R1.127 CC(=Cc1cc(ccc1C)N)C 271570a_100102525489_100000736455 [0,2,0,0,0,0|2,0,0]=4 5429 B12R1.127 CC(=Cc1cc(ccc1C)O)C 271570a_100102525489_100011380479 [0,2,0,0,0,0|2,0,0]=4 5430 B12R1.127 CC(=Cc1cc(ccc1Cl)Br)C 271570a_100102525489_100011772130 [0,2,0,0,0,0|2,0,0]=4 5431 B12R1.127 CC(=Cc1cc(ccc1Cl)C)C 271570a_100102525489_100012356289 [0,2,0,0,0,0|2,0,0]=4 5432 B12R1.127 CC(=Cc1cc(ccc1Cl)Cl)C 271570a_100102525489_100000707729 [0,2,0,0,0,0|2,0,0]=4 5433 B12R1.127 CC(=Cc1cc(ccc1Cl)F)C 271570a_100102525489_100011217299 [0,2,0,0,0,0|2,0,0]=4 5434 B12R1.127 CC(=Cc1cc(ccc1Cl)N)C 271570a_100102525489_100012360549 [0,2,0,0,0,0|2,0,0]=4 5435 B12R1.127 CC(=Cc1cc(ccc1Cl)O)C 271570a_100102525489_100000049588 [0,2,0,0,0,0|2,0,0]=4 5436 B12R1.127 CC(=Cc1cc(ccc1F)Br)C 271570a_100102525489_100011217312 [0,2,0,0,0,0|2,0,0]=4 5437 B12R1.127 CC(=Cc1cc(ccc1F)C)C 271570a_100102525489_100000736223 [0,2,0,0,0,0|2,0,0]=4 5438 B12R1.127 CC(=Cc1cc(ccc1F)Cl)C 271570a_100102525489_100011218116 [0,2,0,0,0,0|2,0,0]=4 5439 B12R1.127 CC(=Cc1cc(ccc1F)F)C 271570a_100102525489_100000750033 [0,2,0,0,0,0|2,0,0]=4 5440 B12R1.127 CC(=Cc1cc(ccc1F)N)C 271570a_100102525489_100000760356 [0,2,0,0,0,0|2,0,0]=4 5441 B12R1.127 CC(=Cc1cc(ccc1F)O)C 271570a_100102525489_100000693481 [0,2,0,0,0,0|2,0,0]=4 5442 B12R1.127 CC(=Cc1cc(ccc1N)Br)C 271570a_100102525489_100000187925 [0,2,0,0,0,0|2,0,0]=4 5443 B12R1.127 CC(=Cc1cc(ccc1N)C)C 271570a_100102525489_100000210942 [0,2,0,0,0,0|2,0,0]=4 5444 B12R1.127 CC(=Cc1cc(ccc1N)Cl)C 271570a_100102525489_100000761889 [0,2,0,0,0,0|2,0,0]=4 5445 B12R1.127 CC(=Cc1cc(ccc1N)F)C 271570a_100102525489_100000760547 [0,2,0,0,0,0|2,0,0]=4 5446 B12R1.127 CC(=Cc1cc(ccc1N)N)C 271570a_100102525489_100011534242 [0,2,0,0,0,0|2,0,0]=4 5447 B12R1.127 CC(=Cc1cc(ccc1N)O)C 271570a_100102525489_100012001276 [0,2,0,0,0,0|2,0,0]=4 5448 B12R1.127 CC(=Cc1cc(ccc1O)Br)C 271570a_100102525489_100012355227 [0,2,0,0,0,0|2,0,0]=4 5449 B12R1.127 CC(=Cc1cc(ccc1O)C)C 271570a_100102525489_100000765521 [0,2,0,0,0,0|2,0,0]=4 5450 B12R1.127 CC(=Cc1cc(ccc1O)Cl)C 271570a_100102525489_100011356953 [0,2,0,0,0,0|2,0,0]=4 5451 B12R1.127 CC(=Cc1cc(ccc1O)F)C 271570a_100102525489_100000211999 [0,2,0,0,0,0|2,0,0]=4 5452 B12R1.127 CC(=Cc1cc(ccc1O)N)C 271570a_100102525489_100011534360 [0,2,0,0,0,0|2,0,0]=4 5453 B12R1.127 CC(=Cc1cc(ccc1O)O)C 271570a_100102525489_100009813629 [0,2,0,0,0,0|2,0,0]=4 5454 B12R1.127 CC(=O)Cc1cc(ccc1Br)Br 1458a_100000070787_100011982794 [0,2,0,0,0,0|1,0,0]=3 5455 B12R1.127 CC(=O)Cc1cc(ccc1Br)Br 1458a_100010004897_200000210301 [0,2,0,0,0,0|1,0,0]=3 5456 B12R1.127 CC(=O)Cc1cc(ccc1Br)C 1458a_100010004923_200000210301 [0,2,0,0,0,0|1,0,0]=3 5457 B12R1.127 CC(=O)Cc1cc(ccc1Br)Cl 1458a_100000070787_100000733903 [0,2,0,0,0,0|1,0,0]=3 5458 B12R1.127 CC(=O)Cc1cc(ccc1Br)Cl 1458a_100000690875_200000210301 [0,2,0,0,0,0|1,0,0]=3 5459 B12R1.127 CC(=O)Cc1cc(ccc1Br)F 1458a_100000070787_100000736370 [0,2,0,0,0,0|1,0,0]=3 5460 B12R1.127 CC(=O)Cc1cc(ccc1Br)F 1458a_100000690878_200000210301 [0,2,0,0,0,0|1,0,0]=3 5461 B12R1.127 CC(=O)Cc1cc(ccc1Br)I 1458a_100000070787_100012355412 [0,2,0,0,0,0|1,0,0]=3 5462 B12R1.127 CC(=O)Cc1cc(ccc1C)Br 1458a_100010244045_200000210301 [0,2,0,0,0,0|1,0,0]=3 5463 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000070787_100000184699 [0,2,0,0,0,0|1,0,0]=3 5464 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000749331_200000210301 [0,2,0,0,0,0|1,0,0]=3 5465 B12R1.127 CC(=O)Cc1cc(ccc1C)Cl 1458a_100000070787_100012186985 [0,2,0,0,0,0|1,0,0]=3 5466 B12R1.127 CC(=O)Cc1cc(ccc1C)F 1458a_100000070787_100000709795 [0,2,0,0,0,0|1,0,0]=3 5467 B12R1.127 CC(=O)Cc1cc(ccc1C)F 1458a_100011219217_200000210301 [0,2,0,0,0,0|1,0,0]=3 5468 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Br 1458a_100000070787_100000763347 [0,2,0,0,0,0|1,0,0]=3 5469 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Br 1458a_100011600618_200000210301 [0,2,0,0,0,0|1,0,0]=3 5470 B12R1.127 CC(=O)Cc1cc(ccc1Cl)C 1458a_100000070787_100009871730 [0,2,0,0,0,0|1,0,0]=3 5471 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000070787_100000754809 [0,2,0,0,0,0|1,0,0]=3 5472 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000748246_200000210301 [0,2,0,0,0,0|1,0,0]=3 5473 B12R1.127 CC(=O)Cc1cc(ccc1Cl)F 1458a_100000070787_100000709952 [0,2,0,0,0,0|1,0,0]=3 5474 B12R1.127 CC(=O)Cc1cc(ccc1Cl)F 1458a_100011830335_200000210301 [0,2,0,0,0,0|1,0,0]=3 5475 B12R1.127 CC(=O)Cc1cc(ccc1Cl)I 1458a_100000070787_100010188191 [0,2,0,0,0,0|1,0,0]=3 5476 B12R1.127 CC(=O)Cc1cc(ccc1F)Br 1458a_100000070787_100000736399 [0,2,0,0,0,0|1,0,0]=3 5477 B12R1.127 CC(=O)Cc1cc(ccc1F)Br 1458a_100000690877_200000210301 [0,2,0,0,0,0|1,0,0]=3 5478 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100000070787_100011260760 [0,2,0,0,0,0|1,0,0]=3 5479 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100011667363_200000210301 [0,2,0,0,0,0|1,0,0]=3 5480 B12R1.127 CC(=O)Cc1cc(ccc1F)Cl 1458a_100000070787_100000716957 [0,2,0,0,0,0|1,0,0]=3 5481 B12R1.127 CC(=O)Cc1cc(ccc1F)Cl 1458a_100011217548_200000210301 [0,2,0,0,0,0|1,0,0]=3 5482 B12R1.127 CC(=O)Cc1cc(ccc1F)F 1458a_100000070787_100000741279 [0,2,0,0,0,0|1,0,0]=3 5483 B12R1.127 CC(=O)Cc1cc(ccc1F)F 1458a_100000762760_200000210301 [0,2,0,0,0,0|1,0,0]=3 5484 B12R1.127 CC(=O)Cc1cc(ccc1F)I 1458a_100000070787_200010149601 [0,2,0,0,0,0|1,0,0]=3 5485 B12R1.127 CC(=O)Cc1cc(ccc1I)Br 1458a_100000070787_100012362523 [0,2,0,0,0,0|1,0,0]=3 5486 B12R1.127 CC(=O)Cc1cc(ccc1I)Cl 1458a_100000070787_100012348826 [0,2,0,0,0,0|1,0,0]=3 5487 B12R1.127 CC(=O)Cc1cc(ccc1I)F 1458a_100000070787_100010149606 [0,2,0,0,0,0|1,0,0]=3 5488 B12R1.127 CC(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200000210301 [0,2,0,0,0,0|1,0,0]=3 5489 B12R1.127 CC(=O)Cc1cc(ccc1O)F 1458a_100000070787_100010161318 [0,2,0,0,0,0|1,0,0]=3 5490 B12R1.127 CC(=O)Cc1cc(ccc1O)O 1458a_100000038496_200000210301 [0,2,0,0,0,0|1,0,0]=3 5491 B12R1.127 CC(=O)Cc1cc(ccc1O)O 271570a_203496583355_200010006938 [0,2,0,0,0,0|1,0,0]=3 5492 B12R1.127 CC(=O)Cc1cc(cnc1Br)Br 1458a_100000070787_100010253922 [0,2,0,0,0,0|2,0,0]=4 5493 B12R1.127 CC(=O)Cc1cc(cnc1Cl)Br 1458a_100000070787_100009816982 [0,2,0,0,0,0|2,0,0]=4 5494 B12R1.127 CC(=O)Cc1nc(ccc1Cl)C 1458a_100000070787_200009852033 [0,2,0,0,0,0|2,0,0]=4 5495 B12R1.127 CC(=O)Cc1nc(ccc1Cl)Cl 1458a_100000070787_100000059412 [0,2,0,0,0,0|2,0,0]=4 5496 B12R1.127 CC(=O)Cc1nc(ccc1F)Br 1458a_100000070787_100010065826 [0,2,0,0,0,0|2,0,0]=4 5497 B12R1.127 CC(=O)Cc1nc(ccc1F)Cl 1458a_100000070787_100009881012 [0,2,0,0,0,0|2,0,0]=4 5498 B12R1.127 CC(=O)Cc1nc(ccc1O)C 1458a_100000070787_100020630696 [0,2,0,0,0,0|2,0,0]=4 5499 B12R1.127 CC(=O)Cn1cc(ccc1=O)Br 1458a_200000738489_200000210301 [0,2,0,0,0,0|2,0,0]=4 5500 B12R1.127 CC(=O)Cn1cc(ccc1=O)C 1458a_100009850670_200000210301 [0,2,0,0,0,0|2,0,0]=4 5501 B12R1.127 CC(=O)Nc1cc(ccc1Br)Br 11a_100000737762_100015343762 [0,2,0,0,0,0|1,0,0]=3 5502 B12R1.127 CC(=O)Nc1cc(ccc1Br)Br 1626a_100000737762_100015343762 [0,2,0,0,0,0|1,0,0]=3 5503 B12R1.127 CC(=O)Nc1cc(ccc1Br)C 11a_100000745044_100015343762 [0,2,0,0,0,0|1,0,0]=3 5504 B12R1.127 CC(=O)Nc1cc(ccc1Br)C 1626a_100000745044_100015343762 [0,2,0,0,0,0|1,0,0]=3 5505 B12R1.127 CC(=O)Nc1cc(ccc1Br)Cl 11a_100000687073_100015343762 [0,2,0,0,0,0|1,0,0]=3 5506 B12R1.127 CC(=O)Nc1cc(ccc1Br)Cl 1626a_100000687073_100015343762 [0,2,0,0,0,0|1,0,0]=3 5507 B12R1.127 CC(=O)Nc1cc(ccc1Br)F 11a_100000687223_100015343762 [0,2,0,0,0,0|1,0,0]=3 5508 B12R1.127 CC(=O)Nc1cc(ccc1Br)F 1626a_100000687223_100015343762 [0,2,0,0,0,0|1,0,0]=3 5509 B12R1.127 CC(=O)Nc1cc(ccc1Br)I 11a_100000750456_100015343762 [0,2,0,0,0,0|1,0,0]=3 5510 B12R1.127 CC(=O)Nc1cc(ccc1Br)I 1626a_100000750456_100015343762 [0,2,0,0,0,0|1,0,0]=3 5511 B12R1.127 CC(=O)Nc1cc(ccc1Br)O 22a_100011999798_100000070787 [0,2,0,0,0,0|1,0,0]=3 5512 B12R1.127 CC(=O)Nc1cc(ccc1Br)O 527a_100011999798_100103153847 [0,2,0,0,0,0|1,0,0]=3 5513 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 11a_100000741167_100015343762 [0,2,0,0,0,0|1,0,0]=3 5514 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 1626a_100000741167_100015343762 [0,2,0,0,0,0|1,0,0]=3 5515 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 22a_100000741167_100000070787 [0,2,0,0,0,0|1,0,0]=3 5516 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 527a_100000741167_100103153847 [0,2,0,0,0,0|1,0,0]=3 5517 B12R1.127 CC(=O)Nc1cc(ccc1C)C 11a_100000185781_100015343762 [0,2,0,0,0,0|1,0,0]=3 5518 B12R1.127 CC(=O)Nc1cc(ccc1C)C 1626a_100000185781_100015343762 [0,2,0,0,0,0|1,0,0]=3 5519 B12R1.127 CC(=O)Nc1cc(ccc1C)C 22a_100000185781_100000070787 [0,2,0,0,0,0|1,0,0]=3 5520 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 11a_100000211374_100015343762 [0,2,0,0,0,0|1,0,0]=3 5521 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 1626a_100000211374_100015343762 [0,2,0,0,0,0|1,0,0]=3 5522 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 22a_100000211374_100000070787 [0,2,0,0,0,0|1,0,0]=3 5523 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 527a_100000211374_100103153847 [0,2,0,0,0,0|1,0,0]=3 5524 B12R1.127 CC(=O)Nc1cc(ccc1C)F 11a_100000211107_100015343762 [0,2,0,0,0,0|1,0,0]=3 5525 B12R1.127 CC(=O)Nc1cc(ccc1C)F 1626a_100000211107_100015343762 [0,2,0,0,0,0|1,0,0]=3 5526 B12R1.127 CC(=O)Nc1cc(ccc1C)F 22a_100000211107_100000070787 [0,2,0,0,0,0|1,0,0]=3 5527 B12R1.127 CC(=O)Nc1cc(ccc1C)I 11a_100000761890_100015343762 [0,2,0,0,0,0|1,0,0]=3 5528 B12R1.127 CC(=O)Nc1cc(ccc1C)I 1626a_100000761890_100015343762 [0,2,0,0,0,0|1,0,0]=3 5529 B12R1.127 CC(=O)Nc1cc(ccc1C)I 22a_100000761890_100000070787 [0,2,0,0,0,0|1,0,0]=3 5530 B12R1.127 CC(=O)Nc1cc(ccc1C)I 527a_100000761890_100103153847 [0,2,0,0,0,0|1,0,0]=3 5531 B12R1.127 CC(=O)Nc1cc(ccc1C)O 22a_100011216113_100000070787 [0,2,0,0,0,0|1,0,0]=3 5532 B12R1.127 CC(=O)Nc1cc(ccc1C)O 271570a_203496583355_100011344836 [0,2,0,0,0,0|1,0,0]=3 5533 B12R1.127 CC(=O)Nc1cc(ccc1C)O 527a_100011216113_100103153847 [0,2,0,0,0,0|1,0,0]=3 5534 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Br 11a_100000750497_100015343762 [0,2,0,0,0,0|1,0,0]=3 5535 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Br 1626a_100000750497_100015343762 [0,2,0,0,0,0|1,0,0]=3 5536 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 11a_100011215360_100015343762 [0,2,0,0,0,0|1,0,0]=3 5537 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 1626a_100011215360_100015343762 [0,2,0,0,0,0|1,0,0]=3 5538 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 22a_100011215360_100000070787 [0,2,0,0,0,0|1,0,0]=3 5539 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Cl 11a_100000184485_100015343762 [0,2,0,0,0,0|1,0,0]=3 5540 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Cl 1626a_100000184485_100015343762 [0,2,0,0,0,0|1,0,0]=3 5541 B12R1.127 CC(=O)Nc1cc(ccc1Cl)F 11a_100000751338_100015343762 [0,2,0,0,0,0|1,0,0]=3 5542 B12R1.127 CC(=O)Nc1cc(ccc1Cl)F 1626a_100000751338_100015343762 [0,2,0,0,0,0|1,0,0]=3 5543 B12R1.127 CC(=O)Nc1cc(ccc1Cl)I 11a_200000761891_100015343762 [0,2,0,0,0,0|1,0,0]=3 5544 B12R1.127 CC(=O)Nc1cc(ccc1Cl)I 1626a_200000761891_100015343762 [0,2,0,0,0,0|1,0,0]=3 5545 B12R1.127 CC(=O)Nc1cc(ccc1Cl)O 527a_100011934297_100103153847 [0,2,0,0,0,0|1,0,0]=3 5546 B12R1.127 CC(=O)Nc1cc(ccc1F)Br 11a_100000740924_100015343762 [0,2,0,0,0,0|1,0,0]=3 5547 B12R1.127 CC(=O)Nc1cc(ccc1F)Br 1626a_100000740924_100015343762 [0,2,0,0,0,0|1,0,0]=3 5548 B12R1.127 CC(=O)Nc1cc(ccc1F)Br 22a_100000740924_100000070787 [0,2,0,0,0,0|1,0,0]=3 5549 B12R1.127 CC(=O)Nc1cc(ccc1F)C 11a_100000211285_100015343762 [0,2,0,0,0,0|1,0,0]=3 5550 B12R1.127 CC(=O)Nc1cc(ccc1F)C 1626a_100000211285_100015343762 [0,2,0,0,0,0|1,0,0]=3 5551 B12R1.127 CC(=O)Nc1cc(ccc1F)C 22a_100000211285_100000070787 [0,2,0,0,0,0|1,0,0]=3 5552 B12R1.127 CC(=O)Nc1cc(ccc1F)C 527a_100000211285_100103153847 [0,2,0,0,0,0|1,0,0]=3 5553 B12R1.127 CC(=O)Nc1cc(ccc1F)Cl 11a_100000212115_100015343762 [0,2,0,0,0,0|1,0,0]=3 5554 B12R1.127 CC(=O)Nc1cc(ccc1F)Cl 1626a_100000212115_100015343762 [0,2,0,0,0,0|1,0,0]=3 5555 B12R1.127 CC(=O)Nc1cc(ccc1F)F 11a_100000210742_100015343762 [0,2,0,0,0,0|1,0,0]=3 5556 B12R1.127 CC(=O)Nc1cc(ccc1F)F 1626a_100000210742_100015343762 [0,2,0,0,0,0|1,0,0]=3 5557 B12R1.127 CC(=O)Nc1cc(ccc1F)F 22a_100000210742_100000070787 [0,2,0,0,0,0|1,0,0]=3 5558 B12R1.127 CC(=O)Nc1cc(ccc1F)I 11a_100011464823_100015343762 [0,2,0,0,0,0|1,0,0]=3 5559 B12R1.127 CC(=O)Nc1cc(ccc1F)I 1626a_100011464823_100015343762 [0,2,0,0,0,0|1,0,0]=3 5560 B12R1.127 CC(=O)Nc1cc(ccc1F)O 1626a_100012017239_100015343762 [0,2,0,0,0,0|1,0,0]=3 5561 B12R1.127 CC(=O)Nc1cc(ccc1F)O 22a_100012017239_100000070787 [0,2,0,0,0,0|1,0,0]=3 5562 B12R1.127 CC(=O)Nc1cc(ccc1F)O 271570a_203496583355_200011951791 [0,2,0,0,0,0|1,0,0]=3 5563 B12R1.127 CC(=O)Nc1cc(ccc1F)O 527a_100012017239_100103153847 [0,2,0,0,0,0|1,0,0]=3 5564 B12R1.127 CC(=O)Nc1cc(ccc1I)Br 11a_100000743836_100015343762 [0,2,0,0,0,0|1,0,0]=3 5565 B12R1.127 CC(=O)Nc1cc(ccc1I)Br 1626a_100000743836_100015343762 [0,2,0,0,0,0|1,0,0]=3 5566 B12R1.127 CC(=O)Nc1cc(ccc1I)C 11a_100011216686_100015343762 [0,2,0,0,0,0|1,0,0]=3 5567 B12R1.127 CC(=O)Nc1cc(ccc1I)C 1626a_100011216686_100015343762 [0,2,0,0,0,0|1,0,0]=3 5568 B12R1.127 CC(=O)Nc1cc(ccc1I)Cl 11a_100000761886_100015343762 [0,2,0,0,0,0|1,0,0]=3 5569 B12R1.127 CC(=O)Nc1cc(ccc1I)Cl 1626a_100000761886_100015343762 [0,2,0,0,0,0|1,0,0]=3 5570 B12R1.127 CC(=O)Nc1cc(ccc1I)Cl 22a_100000761886_100000070787 [0,2,0,0,0,0|1,0,0]=3 5571 B12R1.127 CC(=O)Nc1cc(ccc1I)F 11a_100011218093_100015343762 [0,2,0,0,0,0|1,0,0]=3 5572 B12R1.127 CC(=O)Nc1cc(ccc1I)F 1626a_100011218093_100015343762 [0,2,0,0,0,0|1,0,0]=3 5573 B12R1.127 CC(=O)Nc1cc(ccc1O)Br 22a_100000752626_100000070787 [0,2,0,0,0,0|1,0,0]=3 5574 B12R1.127 CC(=O)Nc1cc(ccc1O)Br 527a_100000752626_100103153847 [0,2,0,0,0,0|1,0,0]=3 5575 B12R1.127 CC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000070787 [0,2,0,0,0,0|1,0,0]=3 5576 B12R1.127 CC(=O)Nc1cc(ccc1O)C 271570a_203496583355_100000182586 [0,2,0,0,0,0|1,0,0]=3 5577 B12R1.127 CC(=O)Nc1cc(ccc1O)C 527a_100011215204_100103153847 [0,2,0,0,0,0|1,0,0]=3 5578 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100000070787 [0,2,0,0,0,0|1,0,0]=3 5579 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl 527a_100000210500_100103153847 [0,2,0,0,0,0|1,0,0]=3 5580 B12R1.127 CC(=O)Nc1cc(ccc1O)F 22a_100000759472_100000070787 [0,2,0,0,0,0|1,0,0]=3 5581 B12R1.127 CC(=O)Nc1cc(ccc1O)F 271570a_203496583355_100012558231 [0,2,0,0,0,0|1,0,0]=3 5582 B12R1.127 CC(=O)Nc1cc(ccc1O)F 527a_100000759472_100103153847 [0,2,0,0,0,0|1,0,0]=3 5583 B12R1.127 CC(=O)Nc1cc(ccc1O)I 22a_100000753495_100000070787 [0,2,0,0,0,0|1,0,0]=3 5584 B12R1.127 CC(=O)Nc1cc(ccc1O)I 527a_100000753495_100103153847 [0,2,0,0,0,0|1,0,0]=3 5585 B12R1.127 CC(=O)Nc1cc(cnc1C)O 271570a_203496583355_100010117071 [0,2,0,0,0,0|2,0,0]=4 5586 B12R1.127 CC(=O)Oc1cc(ccc1C)O 271570a_203496583355_100103282185 [0,2,0,0,0,0|0,0,0]=2 5587 B12R1.127 CC(=O)Oc1cc(ccc1O)F 271570a_203496583355_200015685721 [0,2,0,0,0,0|0,0,0]=2 5588 B12R1.127 CC(C)Oc1cc(ccc1Br)Br 34a_100011220040_100000210206 [0,2,0,0,0,0|1,0,1]=4 5589 B12R1.127 CC(C)Oc1cc(ccc1Br)Br 7a_100011220040_100000210206 [0,2,0,0,0,0|1,0,1]=4 5590 B12R1.127 CC(C)Oc1cc(ccc1Br)Cl 34a_100012339455_100000210206 [0,2,0,0,0,0|1,0,1]=4 5591 B12R1.127 CC(C)Oc1cc(ccc1Br)Cl 7a_100012339455_100000210206 [0,2,0,0,0,0|1,0,1]=4 5592 B12R1.127 CC(C)Oc1cc(ccc1Br)F 34a_100000690578_100000210206 [0,2,0,0,0,0|1,0,1]=4 5593 B12R1.127 CC(C)Oc1cc(ccc1Br)F 7a_100000690578_100000210206 [0,2,0,0,0,0|1,0,1]=4 5594 B12R1.127 CC(C)Oc1cc(ccc1Br)I 34a_100012356990_100000210206 [0,2,0,0,0,0|1,0,1]=4 5595 B12R1.127 CC(C)Oc1cc(ccc1Br)I 7a_100012356990_100000210206 [0,2,0,0,0,0|1,0,1]=4 5596 B12R1.127 CC(C)Oc1cc(ccc1Cl)Br 34a_100000738945_100000210206 [0,2,0,0,0,0|1,0,1]=4 5597 B12R1.127 CC(C)Oc1cc(ccc1Cl)Br 7a_100000738945_100000210206 [0,2,0,0,0,0|1,0,1]=4 5598 B12R1.127 CC(C)Oc1cc(ccc1Cl)Cl 34a_100000211422_100000210206 [0,2,0,0,0,0|1,0,1]=4 5599 B12R1.127 CC(C)Oc1cc(ccc1Cl)Cl 7a_100000211422_100000210206 [0,2,0,0,0,0|1,0,1]=4 5600 B12R1.127 CC(C)Oc1cc(ccc1Cl)F 34a_100000692107_100000210206 [0,2,0,0,0,0|1,0,1]=4 5601 B12R1.127 CC(C)Oc1cc(ccc1Cl)F 7a_100000692107_100000210206 [0,2,0,0,0,0|1,0,1]=4 5602 B12R1.127 CC(C)Oc1cc(ccc1Cl)I 34a_100011356854_100000210206 [0,2,0,0,0,0|1,0,1]=4 5603 B12R1.127 CC(C)Oc1cc(ccc1Cl)I 7a_100011356854_100000210206 [0,2,0,0,0,0|1,0,1]=4 5604 B12R1.127 CC(C)Oc1cc(ccc1Cl)N 34a_100011934209_100000210206 [0,2,0,0,0,0|1,0,1]=4 5605 B12R1.127 CC(C)Oc1cc(ccc1F)Br 34a_100000686035_100000210206 [0,2,0,0,0,0|1,0,1]=4 5606 B12R1.127 CC(C)Oc1cc(ccc1F)Br 7a_100000686035_100000210206 [0,2,0,0,0,0|1,0,1]=4 5607 B12R1.127 CC(C)Oc1cc(ccc1F)Cl 34a_100000757397_100000210206 [0,2,0,0,0,0|1,0,1]=4 5608 B12R1.127 CC(C)Oc1cc(ccc1F)Cl 7a_100000757397_100000210206 [0,2,0,0,0,0|1,0,1]=4 5609 B12R1.127 CC(C)Oc1cc(ccc1F)F 34a_100000752141_100000210206 [0,2,0,0,0,0|1,0,1]=4 5610 B12R1.127 CC(C)Oc1cc(ccc1F)F 7a_100000752141_100000210206 [0,2,0,0,0,0|1,0,1]=4 5611 B12R1.127 CC(C)Oc1cc(ccc1F)I 34a_100009958187_100000210206 [0,2,0,0,0,0|1,0,1]=4 5612 B12R1.127 CC(C)Oc1cc(ccc1F)I 7a_100009958187_100000210206 [0,2,0,0,0,0|1,0,1]=4 5613 B12R1.127 CC(C)Oc1cc(ccc1F)N 34a_100012017398_100000210206 [0,2,0,0,0,0|1,0,1]=4 5614 B12R1.127 CC(C)Oc1cc(ccc1F)N 7a_100012017398_100000210206 [0,2,0,0,0,0|1,0,1]=4 5615 B12R1.127 CC(C)Oc1cc(ccc1F)O 271570a_203496583355_200012350295 [0,2,0,0,0,0|1,0,1]=4 5616 B12R1.127 CC(C)Oc1cc(ccc1I)Br 34a_100012344904_100000210206 [0,2,0,0,0,0|1,0,1]=4 5617 B12R1.127 CC(C)Oc1cc(ccc1I)Br 7a_100012344904_100000210206 [0,2,0,0,0,0|1,0,1]=4 5618 B12R1.127 CC(C)Oc1cc(ccc1I)Cl 34a_100000050036_100000210206 [0,2,0,0,0,0|1,0,1]=4 5619 B12R1.127 CC(C)Oc1cc(ccc1I)Cl 7a_100000050036_100000210206 [0,2,0,0,0,0|1,0,1]=4 5620 B12R1.127 CC(C)Oc1cc(ccc1I)F 34a_100010084537_100000210206 [0,2,0,0,0,0|1,0,1]=4 5621 B12R1.127 CC(C)Oc1cc(ccc1I)F 7a_100010084537_100000210206 [0,2,0,0,0,0|1,0,1]=4 5622 B12R1.127 CC(C)Oc1cc(ccc1N)Br 34a_100000739049_100000210206 [0,2,0,0,0,0|1,0,1]=4 5623 B12R1.127 CC(C)Oc1cc(ccc1N)Br 7a_100000739049_100000210206 [0,2,0,0,0,0|1,0,1]=4 5624 B12R1.127 CC(C)Oc1cc(ccc1N)Cl 34a_100000185728_100000210206 [0,2,0,0,0,0|1,0,1]=4 5625 B12R1.127 CC(C)Oc1cc(ccc1N)Cl 7a_100000185728_100000210206 [0,2,0,0,0,0|1,0,1]=4 5626 B12R1.127 CC(C)Oc1cc(ccc1N)F 34a_100000753323_100000210206 [0,2,0,0,0,0|1,0,1]=4 5627 B12R1.127 CC(C)Oc1cc(ccc1N)F 7a_100000753323_100000210206 [0,2,0,0,0,0|1,0,1]=4 5628 B12R1.127 CC(C)Oc1cc(ccc1N)I 34a_100000057187_100000210206 [0,2,0,0,0,0|1,0,1]=4 5629 B12R1.127 CC(C)Oc1cc(ccc1N)I 7a_100000057187_100000210206 [0,2,0,0,0,0|1,0,1]=4 5630 B12R1.127 CC(C)Oc1cc(ccc1N)N 34a_100025717382_100000210206 [0,2,0,0,0,0|1,0,1]=4 5631 B12R1.127 CC(C)Oc1cc(ccc1O)F 271570a_203496583355_200012359391 [0,2,0,0,0,0|1,0,1]=4 5632 B12R1.127 Cc1ccc(=O)n(c1)CC(=O)[13CH3] 1458a_100009850670_200025704644 [0,2,0,0,0,0|2,0,0]=4 5633 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])Br 1458a_100010004923_200025704644 [0,2,0,0,0,0|1,0,0]=3 5634 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])C 1458a_100000749331_200025704644 [0,2,0,0,0,0|1,0,0]=3 5635 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])F 1458a_100011667363_200025704644 [0,2,0,0,0,0|1,0,0]=3 5636 B12R1.127 Cc1ccc(c(c1)OC(C)C)Br 34a_100012002257_100000210206 [0,2,0,0,0,0|1,0,1]=4 5637 B12R1.127 Cc1ccc(c(c1)OC(C)C)Br 7a_100012002257_100000210206 [0,2,0,0,0,0|1,0,1]=4 5638 B12R1.127 Cc1ccc(c(c1)OC(C)C)C 34a_100000210931_100000210206 [0,2,0,0,0,0|1,0,1]=4 5639 B12R1.127 Cc1ccc(c(c1)OC(C)C)C 7a_100000210931_100000210206 [0,2,0,0,0,0|1,0,1]=4 5640 B12R1.127 Cc1ccc(c(c1)OC(C)C)Cl 34a_100000211493_100000210206 [0,2,0,0,0,0|1,0,1]=4 5641 B12R1.127 Cc1ccc(c(c1)OC(C)C)Cl 7a_100000211493_100000210206 [0,2,0,0,0,0|1,0,1]=4 5642 B12R1.127 Cc1ccc(c(c1)OC(C)C)F 34a_100000759540_100000210206 [0,2,0,0,0,0|1,0,1]=4 5643 B12R1.127 Cc1ccc(c(c1)OC(C)C)F 7a_100000759540_100000210206 [0,2,0,0,0,0|1,0,1]=4 5644 B12R1.127 Cc1ccc(c(c1)OC(C)C)N 34a_100000211527_100000210206 [0,2,0,0,0,0|1,0,1]=4 5645 B12R1.127 Cc1ccc(c(c1)OC(C)C)N 7a_100000211527_100000210206 [0,2,0,0,0,0|1,0,1]=4 5646 B12R1.127 Cc1ccc(cc1CC(=O)[13CH3])Br 1458a_100010244045_200025704644 [0,2,0,0,0,0|1,0,0]=3 5647 B12R1.127 Cc1ccc(cc1CC(=O)[13CH3])F 1458a_100011219217_200025704644 [0,2,0,0,0,0|1,0,0]=3 5648 B12R1.127 Cc1ccc(cc1OC(C)C)Br 34a_100000685420_100000210206 [0,2,0,0,0,0|1,0,1]=4 5649 B12R1.127 Cc1ccc(cc1OC(C)C)Br 7a_100000685420_100000210206 [0,2,0,0,0,0|1,0,1]=4 5650 B12R1.127 Cc1ccc(cc1OC(C)C)Cl 34a_100000756515_100000210206 [0,2,0,0,0,0|1,0,1]=4 5651 B12R1.127 Cc1ccc(cc1OC(C)C)Cl 7a_100000756515_100000210206 [0,2,0,0,0,0|1,0,1]=4 5652 B12R1.127 Cc1ccc(cc1OC(C)C)F 34a_100000690566_100000210206 [0,2,0,0,0,0|1,0,1]=4 5653 B12R1.127 Cc1ccc(cc1OC(C)C)F 7a_100000690566_100000210206 [0,2,0,0,0,0|1,0,1]=4 5654 B12R1.127 Cc1ccc(cc1OC(C)C)I 7a_100000766334_100000210206 [0,2,0,0,0,0|1,0,1]=4 5655 B12R1.127 Cc1ccc(cc1OC(C)C)N 34a_100000759471_100000210206 [0,2,0,0,0,0|1,0,1]=4 5656 B12R1.127 Cc1ccc(cc1OC(C)C)N 7a_100000759471_100000210206 [0,2,0,0,0,0|1,0,1]=4 5657 B12R1.127 Cc1ccc(cc1OC(C)C)O 271570a_203496583355_200012359587 [0,2,0,0,0,0|1,0,1]=4 5658 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)Br 1458a_100010004897_200025704644 [0,2,0,0,0,0|1,0,0]=3 5659 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)Cl 1458a_100000690875_200025704644 [0,2,0,0,0,0|1,0,0]=3 5660 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)F 1458a_100000690878_200025704644 [0,2,0,0,0,0|1,0,0]=3 5661 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)Br 1458a_100011600618_200025704644 [0,2,0,0,0,0|1,0,0]=3 5662 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)Cl 1458a_100000748246_200025704644 [0,2,0,0,0,0|1,0,0]=3 5663 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)F 1458a_100011830335_200025704644 [0,2,0,0,0,0|1,0,0]=3 5664 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)Br 1458a_100000690877_200025704644 [0,2,0,0,0,0|1,0,0]=3 5665 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)Cl 1458a_100011217548_200025704644 [0,2,0,0,0,0|1,0,0]=3 5666 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)F 1458a_100000762760_200025704644 [0,2,0,0,0,0|1,0,0]=3 5667 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200025704644 [0,2,0,0,0,0|1,0,0]=3 5668 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)O 1458a_100000038496_200025704644 [0,2,0,0,0,0|1,0,0]=3 5669 B12R1.127 [13CH3]C(=O)Cn1cc(ccc1=O)Br 1458a_200000738489_200025704644 [0,2,0,0,0,0|2,0,0]=4 5670 B12R1.151 CC(C)(C)Oc1ccccc1Br 34a_100000181306_100000210625 [0,2,0,0,0,0|1,0,1]=4 5671 B12R1.151 CC(C)(C)Oc1ccccc1Cl 34a_100000210172_100000210625 [0,2,0,0,0,0|1,0,1]=4 5672 B12R1.151 CC(C)(C)Oc1ccccc1F 34a_100000210171_100000210625 [0,2,0,0,0,0|1,0,1]=4 5673 B12R1.151 CC(C)(C)Oc1ccccc1I 34a_100000739446_100000210625 [0,2,0,0,0,0|1,0,1]=4 5674 B12R1.151 CC(C)(C)Oc1ccccc1N 34a_100000185747_100000210625 [0,2,0,0,0,0|1,0,1]=4 5675 B12R1.151 CC(C)(C)Oc1ccccc1O 271570a_203496583355_100010078496 [0,2,0,0,0,0|1,0,1]=4 5676 B12R1.151 CS(=O)(=O)Cc1ccccc1O 271570a_203496583355_100009814642 [0,2,0,0,0,0|2,0,0]=4 5677 B12R1.151 CS(=O)(=O)Nc1ccccc1I 40a_100000210053_100000738038 [0,2,0,0,0,0|2,0,0]=4 5678 B12R1.151 CS(=O)(=O)Nc1ccccc1O 271570a_203496583355_100000165598 [0,2,0,0,0,0|2,0,0]=4 5679 B12R1.151 Cc1ccccc1OC(C)(C)C 34a_100000210338_100000210625 [0,2,0,0,0,0|1,0,1]=4 5680 B12R1.224 CC(=Cc1cccc(c1Br)O)C 271570a_100102525489_100010187914 [0,2,0,0,0,0|2,0,0]=4 5681 B12R1.224 CC(=Cc1cccc(c1C)Br)C 271570a_100102525489_100012353703 [0,2,0,0,0,0|2,0,0]=4 5682 B12R1.224 CC(=Cc1cccc(c1C)C)C 271570a_100102525489_100011214922 [0,2,0,0,0,0|2,0,0]=4 5683 B12R1.224 CC(=Cc1cccc(c1C)Cl)C 271570a_100102525489_100000726075 [0,2,0,0,0,0|2,0,0]=4 5684 B12R1.224 CC(=Cc1cccc(c1C)F)C 271570a_100102525489_100011216893 [0,2,0,0,0,0|2,0,0]=4 5685 B12R1.224 CC(=Cc1cccc(c1C)N)C 271570a_100102525489_100000761887 [0,2,0,0,0,0|2,0,0]=4 5686 B12R1.224 CC(=Cc1cccc(c1C)O)C 271570a_100102525489_100012002258 [0,2,0,0,0,0|2,0,0]=4 5687 B12R1.224 CC(=Cc1cccc(c1Cl)Br)C 271570a_100102525489_100010142854 [0,2,0,0,0,0|2,0,0]=4 5688 B12R1.224 CC(=Cc1cccc(c1Cl)C)C 271570a_100102525489_200012352035 [0,2,0,0,0,0|2,0,0]=4 5689 B12R1.224 CC(=Cc1cccc(c1Cl)Cl)C 271570a_100102525489_100011215384 [0,2,0,0,0,0|2,0,0]=4 5690 B12R1.224 CC(=Cc1cccc(c1Cl)F)C 271570a_100102525489_200010234923 [0,2,0,0,0,0|2,0,0]=4 5691 B12R1.224 CC(=Cc1cccc(c1Cl)O)C 271570a_100102525489_100000049636 [0,2,0,0,0,0|2,0,0]=4 5692 B12R1.224 CC(=Cc1cccc(c1F)Br)C 271570a_100102525489_100000702267 [0,2,0,0,0,0|2,0,0]=4 5693 B12R1.224 CC(=Cc1cccc(c1F)C)C 271570a_100102525489_100000717567 [0,2,0,0,0,0|2,0,0]=4 5694 B12R1.224 CC(=Cc1cccc(c1F)Cl)C 271570a_100102525489_100011217346 [0,2,0,0,0,0|2,0,0]=4 5695 B12R1.224 CC(=Cc1cccc(c1F)F)C 271570a_100102525489_100000694657 [0,2,0,0,0,0|2,0,0]=4 5696 B12R1.224 CC(=Cc1cccc(c1F)N)C 271570a_100102525489_100011935091 [0,2,0,0,0,0|2,0,0]=4 5697 B12R1.224 CC(=Cc1cccc(c1F)O)C 271570a_100102525489_100009817021 [0,2,0,0,0,0|2,0,0]=4 5698 B12R1.224 CC(=Cc1cccc(c1N)Br)C 271570a_100102525489_100010146558 [0,2,0,0,0,0|2,0,0]=4 5699 B12R1.224 CC(=Cc1cccc(c1N)C)C 271570a_100102525489_100011834072 [0,2,0,0,0,0|2,0,0]=4 5700 B12R1.224 CC(=Cc1cccc(c1N)Cl)C 271570a_100102525489_100010190421 [0,2,0,0,0,0|2,0,0]=4 5701 B12R1.224 CC(=Cc1cccc(c1N)F)C 271570a_100102525489_100000042321 [0,2,0,0,0,0|2,0,0]=4 5702 B12R1.224 CC(=Cc1cccc(c1N)N)C 271570a_100102525489_100015191791 [0,2,0,0,0,0|2,0,0]=4 5703 B12R1.224 CC(=Cc1cccc(c1N)O)C 271570a_100102525489_100011934926 [0,2,0,0,0,0|2,0,0]=4 5704 B12R1.224 CC(=Cc1cccc(c1O)Br)C 271570a_100102525489_100010084509 [0,2,0,0,0,0|2,0,0]=4 5705 B12R1.224 CC(=Cc1cccc(c1O)C)C 271570a_100102525489_100009817157 [0,2,0,0,0,0|2,0,0]=4 5706 B12R1.224 CC(=Cc1cccc(c1O)Cl)C 271570a_100102525489_100010202889 [0,2,0,0,0,0|2,0,0]=4 5707 B12R1.224 CC(=Cc1cccc(c1O)F)C 271570a_100102525489_100009813666 [0,2,0,0,0,0|2,0,0]=4 5708 B12R1.224 CC(=Cc1cccc(c1O)N)C 271570a_100102525489_100011934915 [0,2,0,0,0,0|2,0,0]=4 5709 B12R1.224 CC(=Cc1cccc(c1O)O)C 271570a_100102525489_100009815950 [0,2,0,0,0,0|2,0,0]=4 5710 B12R1.224 CC(=O)Cc1cccc(c1Br)C 1458a_100000070787_200012349612 [0,2,0,0,0,0|1,0,0]=3 5711 B12R1.224 CC(=O)Cc1cccc(c1Br)C 1458a_100010147021_200000210301 [0,2,0,0,0,0|1,0,0]=3 5712 B12R1.224 CC(=O)Cc1cccc(c1Br)Cl 1458a_100000070787_100010145525 [0,2,0,0,0,0|1,0,0]=3 5713 B12R1.224 CC(=O)Cc1cccc(c1Br)Cl 1458a_100010145769_200000210301 [0,2,0,0,0,0|1,0,0]=3 5714 B12R1.224 CC(=O)Cc1cccc(c1Br)F 1458a_100000070787_100012351116 [0,2,0,0,0,0|1,0,0]=3 5715 B12R1.224 CC(=O)Cc1cccc(c1Br)F 1458a_100012356664_200000210301 [0,2,0,0,0,0|1,0,0]=3 5716 B12R1.224 CC(=O)Cc1cccc(c1Br)I 1458a_100000070787_100010254545 [0,2,0,0,0,0|1,0,0]=3 5717 B12R1.224 CC(=O)Cc1cccc(c1C)Br 1458a_100000070787_100000694682 [0,2,0,0,0,0|1,0,0]=3 5718 B12R1.224 CC(=O)Cc1cccc(c1C)C 1458a_100000070787_100011515928 [0,2,0,0,0,0|1,0,0]=3 5719 B12R1.224 CC(=O)Cc1cccc(c1C)C 1458a_100011698479_200000210301 [0,2,0,0,0,0|1,0,0]=3 5720 B12R1.224 CC(=O)Cc1cccc(c1C)Cl 1458a_100000070787_100012186920 [0,2,0,0,0,0|1,0,0]=3 5721 B12R1.224 CC(=O)Cc1cccc(c1C)F 1458a_100000035905_200000210301 [0,2,0,0,0,0|1,0,0]=3 5722 B12R1.224 CC(=O)Cc1cccc(c1C)F 1458a_100000070787_100009813626 [0,2,0,0,0,0|1,0,0]=3 5723 B12R1.224 CC(=O)Cc1cccc(c1C)I 1458a_100000070787_100010150147 [0,2,0,0,0,0|1,0,0]=3 5724 B12R1.224 CC(=O)Cc1cccc(c1Cl)Br 1458a_100000070787_100012349491 [0,2,0,0,0,0|1,0,0]=3 5725 B12R1.224 CC(=O)Cc1cccc(c1Cl)Br 1458a_100010145770_200000210301 [0,2,0,0,0,0|1,0,0]=3 5726 B12R1.224 CC(=O)Cc1cccc(c1Cl)Cl 1458a_100000070787_100000720918 [0,2,0,0,0,0|1,0,0]=3 5727 B12R1.224 CC(=O)Cc1cccc(c1Cl)Cl 1458a_100000759314_200000210301 [0,2,0,0,0,0|1,0,0]=3 5728 B12R1.224 CC(=O)Cc1cccc(c1Cl)F 1458a_100000070787_100000696688 [0,2,0,0,0,0|1,0,0]=3 5729 B12R1.224 CC(=O)Cc1cccc(c1Cl)F 1458a_100012001123_200000210301 [0,2,0,0,0,0|1,0,0]=3 5730 B12R1.224 CC(=O)Cc1cccc(c1F)Br 1458a_100000070787_100012356507 [0,2,0,0,0,0|1,0,0]=3 5731 B12R1.224 CC(=O)Cc1cccc(c1F)Br 1458a_100011935088_200000210301 [0,2,0,0,0,0|1,0,0]=3 5732 B12R1.224 CC(=O)Cc1cccc(c1F)C 1458a_100000070787_100011216058 [0,2,0,0,0,0|1,0,0]=3 5733 B12R1.224 CC(=O)Cc1cccc(c1F)Cl 1458a_100000070787_100000716733 [0,2,0,0,0,0|1,0,0]=3 5734 B12R1.224 CC(=O)Cc1cccc(c1F)Cl 1458a_100000709823_200000210301 [0,2,0,0,0,0|1,0,0]=3 5735 B12R1.224 CC(=O)Cc1cccc(c1F)F 1458a_100000070787_100000217499 [0,2,0,0,0,0|1,0,0]=3 5736 B12R1.224 CC(=O)Cc1cccc(c1F)F 1458a_100000684727_200000210301 [0,2,0,0,0,0|1,0,0]=3 5737 B12R1.224 CC(=O)Cc1cccc(c1I)F 1458a_100000070787_100010149603 [0,2,0,0,0,0|1,0,0]=3 5738 B12R1.224 CC(=O)Cc1nccc(c1C)Cl 1458a_100000070787_100020614443 [0,2,0,0,0,0|2,0,0]=4 5739 B12R1.224 CC(=O)Cn1cccc(c1=O)C 1458a_100000697016_200000210301 [0,2,0,0,0,0|2,0,0]=4 5740 B12R1.224 CC(=O)Nc1cccc(c1Br)C 11a_100000684715_100015343762 [0,2,0,0,0,0|1,0,0]=3 5741 B12R1.224 CC(=O)Nc1cccc(c1Br)C 1626a_100000684715_100015343762 [0,2,0,0,0,0|1,0,0]=3 5742 B12R1.224 CC(=O)Nc1cccc(c1Br)C 22a_100000684715_100000070787 [0,2,0,0,0,0|1,0,0]=3 5743 B12R1.224 CC(=O)Nc1cccc(c1Br)Cl 11a_100000687072_100015343762 [0,2,0,0,0,0|1,0,0]=3 5744 B12R1.224 CC(=O)Nc1cccc(c1Br)Cl 1626a_100000687072_100015343762 [0,2,0,0,0,0|1,0,0]=3 5745 B12R1.224 CC(=O)Nc1cccc(c1Br)F 11a_100011934729_100015343762 [0,2,0,0,0,0|1,0,0]=3 5746 B12R1.224 CC(=O)Nc1cccc(c1Br)F 1626a_100011934729_100015343762 [0,2,0,0,0,0|1,0,0]=3 5747 B12R1.224 CC(=O)Nc1cccc(c1Br)O 22a_100012183704_100000070787 [0,2,0,0,0,0|1,0,0]=3 5748 B12R1.224 CC(=O)Nc1cccc(c1C)Br 11a_100000750434_100015343762 [0,2,0,0,0,0|1,0,0]=3 5749 B12R1.224 CC(=O)Nc1cccc(c1C)Br 1626a_100000750434_100015343762 [0,2,0,0,0,0|1,0,0]=3 5750 B12R1.224 CC(=O)Nc1cccc(c1C)Br 22a_100000750434_100000070787 [0,2,0,0,0,0|1,0,0]=3 5751 B12R1.224 CC(=O)Nc1cccc(c1C)Br 527a_100000750434_100103153847 [0,2,0,0,0,0|1,0,0]=3 5752 B12R1.224 CC(=O)Nc1cccc(c1C)C 11a_100000210026_100015343762 [0,2,0,0,0,0|1,0,0]=3 5753 B12R1.224 CC(=O)Nc1cccc(c1C)C 1626a_100000210026_100015343762 [0,2,0,0,0,0|1,0,0]=3 5754 B12R1.224 CC(=O)Nc1cccc(c1C)C 22a_100000210026_100000070787 [0,2,0,0,0,0|1,0,0]=3 5755 B12R1.224 CC(=O)Nc1cccc(c1C)C 527a_100000210026_100103153847 [0,2,0,0,0,0|1,0,0]=3 5756 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 11a_100000210441_100015343762 [0,2,0,0,0,0|1,0,0]=3 5757 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 1626a_100000210441_100015343762 [0,2,0,0,0,0|1,0,0]=3 5758 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 22a_100000210441_100000070787 [0,2,0,0,0,0|1,0,0]=3 5759 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 527a_100000210441_100103153847 [0,2,0,0,0,0|1,0,0]=3 5760 B12R1.224 CC(=O)Nc1cccc(c1C)F 11a_100000745574_100015343762 [0,2,0,0,0,0|1,0,0]=3 5761 B12R1.224 CC(=O)Nc1cccc(c1C)F 1626a_100000745574_100015343762 [0,2,0,0,0,0|1,0,0]=3 5762 B12R1.224 CC(=O)Nc1cccc(c1C)F 22a_100000745574_100000070787 [0,2,0,0,0,0|1,0,0]=3 5763 B12R1.224 CC(=O)Nc1cccc(c1C)F 527a_100000745574_100103153847 [0,2,0,0,0,0|1,0,0]=3 5764 B12R1.224 CC(=O)Nc1cccc(c1C)I 11a_100000761887_100015343762 [0,2,0,0,0,0|1,0,0]=3 5765 B12R1.224 CC(=O)Nc1cccc(c1C)I 1626a_100000761887_100015343762 [0,2,0,0,0,0|1,0,0]=3 5766 B12R1.224 CC(=O)Nc1cccc(c1C)I 22a_100000761887_100000070787 [0,2,0,0,0,0|1,0,0]=3 5767 B12R1.224 CC(=O)Nc1cccc(c1C)I 527a_100000761887_100103153847 [0,2,0,0,0,0|1,0,0]=3 5768 B12R1.224 CC(=O)Nc1cccc(c1C)O 11a_100011216573_100015343762 [0,2,0,0,0,0|1,0,0]=3 5769 B12R1.224 CC(=O)Nc1cccc(c1C)O 22a_100011216573_100000070787 [0,2,0,0,0,0|1,0,0]=3 5770 B12R1.224 CC(=O)Nc1cccc(c1C)O 527a_100011216573_100103153847 [0,2,0,0,0,0|1,0,0]=3 5771 B12R1.224 CC(=O)Nc1cccc(c1Cl)Br 11a_100000687075_100015343762 [0,2,0,0,0,0|1,0,0]=3 5772 B12R1.224 CC(=O)Nc1cccc(c1Cl)Br 1626a_100000687075_100015343762 [0,2,0,0,0,0|1,0,0]=3 5773 B12R1.224 CC(=O)Nc1cccc(c1Cl)Br 527a_100000687075_100103153847 [0,2,0,0,0,0|1,0,0]=3 5774 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 11a_100000765562_100015343762 [0,2,0,0,0,0|1,0,0]=3 5775 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 1626a_100000765562_100015343762 [0,2,0,0,0,0|1,0,0]=3 5776 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 22a_100000765562_100000070787 [0,2,0,0,0,0|1,0,0]=3 5777 B12R1.224 CC(=O)Nc1cccc(c1Cl)Cl 11a_100000185733_100015343762 [0,2,0,0,0,0|1,0,0]=3 5778 B12R1.224 CC(=O)Nc1cccc(c1Cl)Cl 1626a_100000185733_100015343762 [0,2,0,0,0,0|1,0,0]=3 5779 B12R1.224 CC(=O)Nc1cccc(c1Cl)F 11a_100000692321_100015343762 [0,2,0,0,0,0|1,0,0]=3 5780 B12R1.224 CC(=O)Nc1cccc(c1Cl)F 1626a_100000692321_100015343762 [0,2,0,0,0,0|1,0,0]=3 5781 B12R1.224 CC(=O)Nc1cccc(c1Cl)F 22a_100000692321_100000070787 [0,2,0,0,0,0|1,0,0]=3 5782 B12R1.224 CC(=O)Nc1cccc(c1Cl)O 22a_100012002038_100000070787 [0,2,0,0,0,0|1,0,0]=3 5783 B12R1.224 CC(=O)Nc1cccc(c1F)Br 11a_100011935091_100015343762 [0,2,0,0,0,0|1,0,0]=3 5784 B12R1.224 CC(=O)Nc1cccc(c1F)Br 1626a_100011935091_100015343762 [0,2,0,0,0,0|1,0,0]=3 5785 B12R1.224 CC(=O)Nc1cccc(c1F)Br 22a_100011935091_100000070787 [0,2,0,0,0,0|1,0,0]=3 5786 B12R1.224 CC(=O)Nc1cccc(c1F)Br 527a_100011935091_100103153847 [0,2,0,0,0,0|1,0,0]=3 5787 B12R1.224 CC(=O)Nc1cccc(c1F)C 11a_100000697159_100015343762 [0,2,0,0,0,0|1,0,0]=3 5788 B12R1.224 CC(=O)Nc1cccc(c1F)C 1626a_100000697159_100015343762 [0,2,0,0,0,0|1,0,0]=3 5789 B12R1.224 CC(=O)Nc1cccc(c1F)C 527a_100000697159_100103153847 [0,2,0,0,0,0|1,0,0]=3 5790 B12R1.224 CC(=O)Nc1cccc(c1F)Cl 11a_100000199060_100015343762 [0,2,0,0,0,0|1,0,0]=3 5791 B12R1.224 CC(=O)Nc1cccc(c1F)Cl 1626a_100000199060_100015343762 [0,2,0,0,0,0|1,0,0]=3 5792 B12R1.224 CC(=O)Nc1cccc(c1F)Cl 22a_100000199060_100000070787 [0,2,0,0,0,0|1,0,0]=3 5793 B12R1.224 CC(=O)Nc1cccc(c1F)F 11a_100000743855_100015343762 [0,2,0,0,0,0|1,0,0]=3 5794 B12R1.224 CC(=O)Nc1cccc(c1F)F 1626a_100000743855_100015343762 [0,2,0,0,0,0|1,0,0]=3 5795 B12R1.224 CC(=O)Nc1cccc(c1F)F 22a_100000743855_100000070787 [0,2,0,0,0,0|1,0,0]=3 5796 B12R1.224 CC(=O)Nc1cccc(c1I)Br 11a_100020590159_100015343762 [0,2,0,0,0,0|1,0,0]=3 5797 B12R1.224 CC(=O)Nc1cccc(c1I)Br 1626a_100020590159_100015343762 [0,2,0,0,0,0|1,0,0]=3 5798 B12R1.224 CC(=O)Nc1cccc(c1I)C 11a_100000761888_100015343762 [0,2,0,0,0,0|1,0,0]=3 5799 B12R1.224 CC(=O)Nc1cccc(c1I)C 1626a_100000761888_100015343762 [0,2,0,0,0,0|1,0,0]=3 5800 B12R1.224 CC(=O)Nc1cccc(c1I)Cl 11a_100000049713_100015343762 [0,2,0,0,0,0|1,0,0]=3 5801 B12R1.224 CC(=O)Nc1cccc(c1I)Cl 1626a_100000049713_100015343762 [0,2,0,0,0,0|1,0,0]=3 5802 B12R1.224 CC(=O)Nc1cccc(c1I)F 11a_100000690935_100015343762 [0,2,0,0,0,0|1,0,0]=3 5803 B12R1.224 CC(=O)Nc1cccc(c1I)F 1626a_100000690935_100015343762 [0,2,0,0,0,0|1,0,0]=3 5804 B12R1.224 CC(=O)Nc1cccc(c1O)Br 22a_100011934915_100000070787 [0,2,0,0,0,0|1,0,0]=3 5805 B12R1.224 CC(=O)Nc1cccc(c1O)Br 527a_100011934915_100103153847 [0,2,0,0,0,0|1,0,0]=3 5806 B12R1.224 CC(=O)Nc1cccc(c1O)C 11a_100000756359_100015343762 [0,2,0,0,0,0|1,0,0]=3 5807 B12R1.224 CC(=O)Nc1cccc(c1O)C 1626a_100000756359_100015343762 [0,2,0,0,0,0|1,0,0]=3 5808 B12R1.224 CC(=O)Nc1cccc(c1O)C 22a_100000756359_100000070787 [0,2,0,0,0,0|1,0,0]=3 5809 B12R1.224 CC(=O)Nc1cccc(c1O)C 527a_100000756359_100103153847 [0,2,0,0,0,0|1,0,0]=3 5810 B12R1.224 CC(=O)Nc1cccc(c1O)Cl 22a_100000754742_100000070787 [0,2,0,0,0,0|1,0,0]=3 5811 B12R1.224 CC(=O)Nc1cccc(c1O)Cl 527a_100000754742_100103153847 [0,2,0,0,0,0|1,0,0]=3 5812 B12R1.224 CC(=O)Nc1cccc(c1O)F 1626a_100011934987_100015343762 [0,2,0,0,0,0|1,0,0]=3 5813 B12R1.224 CC(=O)Nc1cccc(c1O)F 22a_100011934987_100000070787 [0,2,0,0,0,0|1,0,0]=3 5814 B12R1.224 CC(=O)Nc1cccc(c1O)F 527a_100011934987_100103153847 [0,2,0,0,0,0|1,0,0]=3 5815 B12R1.224 CC(=O)Nc1cccc(c1O)I 1626a_100010084371_100015343762 [0,2,0,0,0,0|1,0,0]=3 5816 B12R1.224 CC(=O)Nc1cccc(c1O)I 22a_100010084371_100000070787 [0,2,0,0,0,0|1,0,0]=3 5817 B12R1.224 CC(=O)Nc1cccc(c1O)I 527a_100010084371_100103153847 [0,2,0,0,0,0|1,0,0]=3 5818 B12R1.224 CC(C)Oc1cccc(c1Br)Br 34a_100010187966_100000210206 [0,2,0,0,0,0|1,0,1]=4 5819 B12R1.224 CC(C)Oc1cccc(c1Br)Br 7a_100010187966_100000210206 [0,2,0,0,0,0|1,0,1]=4 5820 B12R1.224 CC(C)Oc1cccc(c1Br)Cl 34a_100012348804_100000210206 [0,2,0,0,0,0|1,0,1]=4 5821 B12R1.224 CC(C)Oc1cccc(c1Br)Cl 7a_100012348804_100000210206 [0,2,0,0,0,0|1,0,1]=4 5822 B12R1.224 CC(C)Oc1cccc(c1Br)F 34a_100009820682_100000210206 [0,2,0,0,0,0|1,0,1]=4 5823 B12R1.224 CC(C)Oc1cccc(c1Br)F 7a_100009820682_100000210206 [0,2,0,0,0,0|1,0,1]=4 5824 B12R1.224 CC(C)Oc1cccc(c1Br)I 34a_100010187914_100000210206 [0,2,0,0,0,0|1,0,1]=4 5825 B12R1.224 CC(C)Oc1cccc(c1Br)I 7a_100010187914_100000210206 [0,2,0,0,0,0|1,0,1]=4 5826 B12R1.224 CC(C)Oc1cccc(c1Br)N 34a_100012183704_100000210206 [0,2,0,0,0,0|1,0,1]=4 5827 B12R1.224 CC(C)Oc1cccc(c1Br)N 7a_100012183704_100000210206 [0,2,0,0,0,0|1,0,1]=4 5828 B12R1.224 CC(C)Oc1cccc(c1Cl)Br 34a_100010187913_100000210206 [0,2,0,0,0,0|1,0,1]=4 5829 B12R1.224 CC(C)Oc1cccc(c1Cl)Br 7a_100010187913_100000210206 [0,2,0,0,0,0|1,0,1]=4 5830 B12R1.224 CC(C)Oc1cccc(c1Cl)Cl 34a_100000211076_100000210206 [0,2,0,0,0,0|1,0,1]=4 5831 B12R1.224 CC(C)Oc1cccc(c1Cl)Cl 7a_100000211076_100000210206 [0,2,0,0,0,0|1,0,1]=4 5832 B12R1.224 CC(C)Oc1cccc(c1Cl)F 34a_100000087408_100000210206 [0,2,0,0,0,0|1,0,1]=4 5833 B12R1.224 CC(C)Oc1cccc(c1Cl)F 7a_100000087408_100000210206 [0,2,0,0,0,0|1,0,1]=4 5834 B12R1.224 CC(C)Oc1cccc(c1Cl)I 34a_100000049636_100000210206 [0,2,0,0,0,0|1,0,1]=4 5835 B12R1.224 CC(C)Oc1cccc(c1Cl)I 7a_100000049636_100000210206 [0,2,0,0,0,0|1,0,1]=4 5836 B12R1.224 CC(C)Oc1cccc(c1Cl)N 34a_100012002038_100000210206 [0,2,0,0,0,0|1,0,1]=4 5837 B12R1.224 CC(C)Oc1cccc(c1Cl)N 7a_100012002038_100000210206 [0,2,0,0,0,0|1,0,1]=4 5838 B12R1.224 CC(C)Oc1cccc(c1F)Br 34a_100009817021_100000210206 [0,2,0,0,0,0|1,0,1]=4 5839 B12R1.224 CC(C)Oc1cccc(c1F)Br 7a_100009817021_100000210206 [0,2,0,0,0,0|1,0,1]=4 5840 B12R1.224 CC(C)Oc1cccc(c1F)Cl 34a_100000687438_100000210206 [0,2,0,0,0,0|1,0,1]=4 5841 B12R1.224 CC(C)Oc1cccc(c1F)Cl 7a_100000687438_100000210206 [0,2,0,0,0,0|1,0,1]=4 5842 B12R1.224 CC(C)Oc1cccc(c1F)F 34a_100000751161_100000210206 [0,2,0,0,0,0|1,0,1]=4 5843 B12R1.224 CC(C)Oc1cccc(c1F)F 7a_100000751161_100000210206 [0,2,0,0,0,0|1,0,1]=4 5844 B12R1.224 CC(C)Oc1cccc(c1I)Br 34a_100010187912_100000210206 [0,2,0,0,0,0|1,0,1]=4 5845 B12R1.224 CC(C)Oc1cccc(c1I)Br 7a_100010187912_100000210206 [0,2,0,0,0,0|1,0,1]=4 5846 B12R1.224 CC(C)Oc1cccc(c1I)Cl 34a_100000050174_100000210206 [0,2,0,0,0,0|1,0,1]=4 5847 B12R1.224 CC(C)Oc1cccc(c1I)Cl 7a_100000050174_100000210206 [0,2,0,0,0,0|1,0,1]=4 5848 B12R1.224 CC(C)Oc1cccc(c1I)F 34a_100000690913_100000210206 [0,2,0,0,0,0|1,0,1]=4 5849 B12R1.224 CC(C)Oc1cccc(c1I)F 7a_100000690913_100000210206 [0,2,0,0,0,0|1,0,1]=4 5850 B12R1.224 CC(C)Oc1cccc(c1N)Br 34a_100011934926_100000210206 [0,2,0,0,0,0|1,0,1]=4 5851 B12R1.224 CC(C)Oc1cccc(c1N)Br 7a_100011934926_100000210206 [0,2,0,0,0,0|1,0,1]=4 5852 B12R1.224 CC(C)Oc1cccc(c1N)Cl 34a_100012022510_100000210206 [0,2,0,0,0,0|1,0,1]=4 5853 B12R1.224 CC(C)Oc1cccc(c1N)Cl 7a_100012022510_100000210206 [0,2,0,0,0,0|1,0,1]=4 5854 B12R1.224 CC(C)Oc1cccc(c1N)F 34a_100020591140_100000210206 [0,2,0,0,0,0|1,0,1]=4 5855 B12R1.224 CC(C)Oc1cccc(c1N)F 7a_100020591140_100000210206 [0,2,0,0,0,0|1,0,1]=4 5856 B12R1.224 CC(C)Oc1cccc(c1N)I 34a_200000049512_100000210206 [0,2,0,0,0,0|1,0,1]=4 5857 B12R1.224 CC(C)Oc1cccc(c1N)I 7a_200000049512_100000210206 [0,2,0,0,0,0|1,0,1]=4 5858 B12R1.224 CC(C)Oc1cccc(c1N)N 34a_100000033209_100000210206 [0,2,0,0,0,0|1,0,1]=4 5859 B12R1.224 Cc1c(cccc1CC(=O)[13CH3])F 1458a_100000035905_200025704644 [0,2,0,0,0,0|1,0,0]=3 5860 B12R1.224 Cc1c(cccc1OC(C)C)Br 34a_100012002258_100000210206 [0,2,0,0,0,0|1,0,1]=4 5861 B12R1.224 Cc1c(cccc1OC(C)C)Br 7a_100012002258_100000210206 [0,2,0,0,0,0|1,0,1]=4 5862 B12R1.224 Cc1c(cccc1OC(C)C)Cl 34a_100011265684_100000210206 [0,2,0,0,0,0|1,0,1]=4 5863 B12R1.224 Cc1c(cccc1OC(C)C)Cl 7a_100011265684_100000210206 [0,2,0,0,0,0|1,0,1]=4 5864 B12R1.224 Cc1c(cccc1OC(C)C)F 34a_100011217231_100000210206 [0,2,0,0,0,0|1,0,1]=4 5865 B12R1.224 Cc1c(cccc1OC(C)C)F 7a_100011217231_100000210206 [0,2,0,0,0,0|1,0,1]=4 5866 B12R1.224 Cc1c(cccc1OC(C)C)N 34a_100011216573_100000210206 [0,2,0,0,0,0|1,0,1]=4 5867 B12R1.224 Cc1c(cccc1OC(C)C)N 7a_100011216573_100000210206 [0,2,0,0,0,0|1,0,1]=4 5868 B12R1.224 Cc1cccc(c1Br)CC(=O)[13CH3] 1458a_100010147021_200025704644 [0,2,0,0,0,0|1,0,0]=3 5869 B12R1.224 Cc1cccc(c1Br)OC(C)C 34a_100000686692_100000210206 [0,2,0,0,0,0|1,0,1]=4 5870 B12R1.224 Cc1cccc(c1Br)OC(C)C 7a_100000686692_100000210206 [0,2,0,0,0,0|1,0,1]=4 5871 B12R1.224 Cc1cccc(c1C)CC(=O)[13CH3] 1458a_100011698479_200025704644 [0,2,0,0,0,0|1,0,0]=3 5872 B12R1.224 Cc1cccc(c1C)OC(C)C 34a_100000185855_100000210206 [0,2,0,0,0,0|1,0,1]=4 5873 B12R1.224 Cc1cccc(c1C)OC(C)C 7a_100000185855_100000210206 [0,2,0,0,0,0|1,0,1]=4 5874 B12R1.224 Cc1cccc(c1Cl)OC(C)C 34a_100000695629_100000210206 [0,2,0,0,0,0|1,0,1]=4 5875 B12R1.224 Cc1cccc(c1Cl)OC(C)C 7a_100000695629_100000210206 [0,2,0,0,0,0|1,0,1]=4 5876 B12R1.224 Cc1cccc(c1F)OC(C)C 34a_100000751311_100000210206 [0,2,0,0,0,0|1,0,1]=4 5877 B12R1.224 Cc1cccc(c1F)OC(C)C 7a_100000751311_100000210206 [0,2,0,0,0,0|1,0,1]=4 5878 B12R1.224 Cc1cccc(c1I)OC(C)C 34a_100010083724_100000210206 [0,2,0,0,0,0|1,0,1]=4 5879 B12R1.224 Cc1cccc(c1I)OC(C)C 7a_100010083724_100000210206 [0,2,0,0,0,0|1,0,1]=4 5880 B12R1.224 Cc1cccc(c1N)OC(C)C 34a_100000743429_100000210206 [0,2,0,0,0,0|1,0,1]=4 5881 B12R1.224 Cc1cccc(c1N)OC(C)C 7a_100000743429_100000210206 [0,2,0,0,0,0|1,0,1]=4 5882 B12R1.224 Cc1cccc(c1O)CC(=O)N 271570a_203496583355_100011096275 [0,2,0,0,0,0|2,0,0]=4 5883 B12R1.224 Cc1cccn(c1=O)CC(=O)[13CH3] 1458a_100000697016_200025704644 [0,2,0,0,0,0|2,0,0]=4 5884 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Br)Cl 1458a_100010145769_200025704644 [0,2,0,0,0,0|1,0,0]=3 5885 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Br)F 1458a_100012356664_200025704644 [0,2,0,0,0,0|1,0,0]=3 5886 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)Br 1458a_100010145770_200025704644 [0,2,0,0,0,0|1,0,0]=3 5887 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)Cl 1458a_100000759314_200025704644 [0,2,0,0,0,0|1,0,0]=3 5888 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)F 1458a_100012001123_200025704644 [0,2,0,0,0,0|1,0,0]=3 5889 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)Br 1458a_100011935088_200025704644 [0,2,0,0,0,0|1,0,0]=3 5890 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)Cl 1458a_100000709823_200025704644 [0,2,0,0,0,0|1,0,0]=3 5891 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)F 1458a_100000684727_200025704644 [0,2,0,0,0,0|1,0,0]=3 5892 B12R1.1009 CC(=Cc1c(cccc1Br)Br)C 271570a_100102525489_100009994525 [0,2,0,0,0,0|2,0,0]=4 5893 B12R1.1009 CC(=Cc1c(cccc1Br)Cl)C 271570a_100102525489_100010214488 [0,2,0,0,0,0|2,0,0]=4 5894 B12R1.1009 CC(=Cc1c(cccc1Br)F)C 271570a_100102525489_100011219512 [0,2,0,0,0,0|2,0,0]=4 5895 B12R1.1009 CC(=Cc1c(cccc1Br)N)C 271570a_100102525489_100020590159 [0,2,0,0,0,0|2,0,0]=4 5896 B12R1.1009 CC(=Cc1c(cccc1Br)O)C 271570a_100102525489_100010187912 [0,2,0,0,0,0|2,0,0]=4 5897 B12R1.1009 CC(=Cc1c(cccc1C)C)C 271570a_100102525489_100000033847 [0,2,0,0,0,0|2,0,0]=4 5898 B12R1.1009 CC(=Cc1c(cccc1Cl)C)C 271570a_100102525489_100000043165 [0,2,0,0,0,0|2,0,0]=4 5899 B12R1.1009 CC(=Cc1c(cccc1Cl)Cl)C 271570a_100102525489_100000034237 [0,2,0,0,0,0|2,0,0]=4 5900 B12R1.1009 CC(=Cc1c(cccc1Cl)F)C 271570a_100102525489_100000050007 [0,2,0,0,0,0|2,0,0]=4 5901 B12R1.1009 CC(=Cc1c(cccc1Cl)N)C 271570a_100102525489_100000049713 [0,2,0,0,0,0|2,0,0]=4 5902 B12R1.1009 CC(=Cc1c(cccc1Cl)O)C 271570a_100102525489_100000050174 [0,2,0,0,0,0|2,0,0]=4 5903 B12R1.1009 CC(=Cc1c(cccc1F)C)C 271570a_100102525489_100012349962 [0,2,0,0,0,0|2,0,0]=4 5904 B12R1.1009 CC(=Cc1c(cccc1F)F)C 271570a_100102525489_100000693133 [0,2,0,0,0,0|2,0,0]=4 5905 B12R1.1009 CC(=Cc1c(cccc1F)N)C 271570a_100102525489_100011934729 [0,2,0,0,0,0|2,0,0]=4 5906 B12R1.1009 CC(=Cc1c(cccc1F)O)C 271570a_100102525489_100009820682 [0,2,0,0,0,0|2,0,0]=4 5907 B12R1.1009 CC(=Cc1c(cccc1N)C)C 271570a_100102525489_100000684715 [0,2,0,0,0,0|2,0,0]=4 5908 B12R1.1009 CC(=Cc1c(cccc1O)C)C 271570a_100102525489_100000686692 [0,2,0,0,0,0|2,0,0]=4 5909 B12R1.1009 CC(=Cc1c(cccc1O)N)C 271570a_100102525489_100012183704 [0,2,0,0,0,0|2,0,0]=4 5910 B12R1.1009 CC(=Cc1c(cccc1O)O)C 271570a_100102525489_100010205330 [0,2,0,0,0,0|2,0,0]=4 5911 B12R1.1009 CC(=O)Cc1c(cccc1Br)Br 1458a_100010209379_200000210301 [0,2,0,0,0,0|1,0,0]=3 5912 B12R1.1009 CC(=O)Cc1c(cccc1Br)C 1458a_100000070787_100010146847 [0,2,0,0,0,0|1,0,0]=3 5913 B12R1.1009 CC(=O)Cc1c(cccc1Br)C 1458a_100010147022_200000210301 [0,2,0,0,0,0|1,0,0]=3 5914 B12R1.1009 CC(=O)Cc1c(cccc1Br)Cl 1458a_100000070787_100010138402 [0,2,0,0,0,0|1,0,0]=3 5915 B12R1.1009 CC(=O)Cc1c(cccc1Br)Cl 1458a_100013084675_200000210301 [0,2,0,0,0,0|1,0,0]=3 5916 B12R1.1009 CC(=O)Cc1c(cccc1Br)F 1458a_100000070787_100000696636 [0,2,0,0,0,0|1,0,0]=3 5917 B12R1.1009 CC(=O)Cc1c(cccc1Br)F 1458a_100010172741_200000210301 [0,2,0,0,0,0|1,0,0]=3 5918 B12R1.1009 CC(=O)Cc1c(cccc1C)C 1458a_100000070787_100000758300 [0,2,0,0,0,0|1,0,0]=3 5919 B12R1.1009 CC(=O)Cc1c(cccc1C)C 1458a_100000689862_200000210301 [0,2,0,0,0,0|1,0,0]=3 5920 B12R1.1009 CC(=O)Cc1c(cccc1Cl)Cl 1458a_100000070787_100000187851 [0,2,0,0,0,0|1,0,0]=3 5921 B12R1.1009 CC(=O)Cc1c(cccc1Cl)Cl 1458a_100000211232_200000210301 [0,2,0,0,0,0|1,0,0]=3 5922 B12R1.1009 CC(=O)Cc1c(cccc1Cl)F 1458a_100000070787_100000187852 [0,2,0,0,0,0|1,0,0]=3 5923 B12R1.1009 CC(=O)Cc1c(cccc1Cl)F 1458a_100000185183_200000210301 [0,2,0,0,0,0|1,0,0]=3 5924 B12R1.1009 CC(=O)Cc1c(cccc1F)C 1458a_100000070787_100009814554 [0,2,0,0,0,0|1,0,0]=3 5925 B12R1.1009 CC(=O)Cc1c(cccc1F)F 1458a_100000070787_100000698325 [0,2,0,0,0,0|1,0,0]=3 5926 B12R1.1009 CC(=O)Cc1c(cccc1F)F 1458a_100000684726_200000210301 [0,2,0,0,0,0|1,0,0]=3 5927 B12R1.1009 CC(=O)Cc1c(cccc1I)Br 1458a_100000070787_100010146611 [0,2,0,0,0,0|1,0,0]=3 5928 B12R1.1009 CC(=O)Cc1c(cccc1I)C 1458a_100000070787_100010150146 [0,2,0,0,0,0|1,0,0]=3 5929 B12R1.1009 CC(=O)Cc1c(cccc1I)F 1458a_100000070787_100010149602 [0,2,0,0,0,0|1,0,0]=3 5930 B12R1.1009 CC(=O)Cc1c(cncc1Cl)Cl 1458a_100000070787_200009872113 [0,2,0,0,0,0|2,0,0]=4 5931 B12R1.1009 CC(=O)Nc1c(cccc1Br)Br 1626a_100000690995_100015343762 [0,2,0,0,0,0|1,0,0]=3 5932 B12R1.1009 CC(=O)Nc1c(cccc1Br)C 11a_100011834072_100015343762 [0,2,0,0,0,0|1,0,0]=3 5933 B12R1.1009 CC(=O)Nc1c(cccc1Br)C 1626a_100011834072_100015343762 [0,2,0,0,0,0|1,0,0]=3 5934 B12R1.1009 CC(=O)Nc1c(cccc1Br)Cl 11a_100102946385_100015343762 [0,2,0,0,0,0|1,0,0]=3 5935 B12R1.1009 CC(=O)Nc1c(cccc1Br)Cl 1626a_100102946385_100015343762 [0,2,0,0,0,0|1,0,0]=3 5936 B12R1.1009 CC(=O)Nc1c(cccc1Br)F 11a_100000684712_100015343762 [0,2,0,0,0,0|1,0,0]=3 5937 B12R1.1009 CC(=O)Nc1c(cccc1Br)F 1626a_100000684712_100015343762 [0,2,0,0,0,0|1,0,0]=3 5938 B12R1.1009 CC(=O)Nc1c(cccc1Br)O 527a_100011934926_100103153847 [0,2,0,0,0,0|1,0,0]=3 5939 B12R1.1009 CC(=O)Nc1c(cccc1C)C 11a_100000185769_100015343762 [0,2,0,0,0,0|1,0,0]=3 5940 B12R1.1009 CC(=O)Nc1c(cccc1C)C 1626a_100000185769_100015343762 [0,2,0,0,0,0|1,0,0]=3 5941 B12R1.1009 CC(=O)Nc1c(cccc1C)C 22a_100000185769_100000070787 [0,2,0,0,0,0|1,0,0]=3 5942 B12R1.1009 CC(=O)Nc1c(cccc1Cl)C 11a_100000756524_100015343762 [0,2,0,0,0,0|1,0,0]=3 5943 B12R1.1009 CC(=O)Nc1c(cccc1Cl)C 1626a_100000756524_100015343762 [0,2,0,0,0,0|1,0,0]=3 5944 B12R1.1009 CC(=O)Nc1c(cccc1Cl)Cl 11a_100000210028_100015343762 [0,2,0,0,0,0|1,0,0]=3 5945 B12R1.1009 CC(=O)Nc1c(cccc1Cl)Cl 1626a_100000210028_100015343762 [0,2,0,0,0,0|1,0,0]=3 5946 B12R1.1009 CC(=O)Nc1c(cccc1Cl)F 11a_100000760031_100015343762 [0,2,0,0,0,0|1,0,0]=3 5947 B12R1.1009 CC(=O)Nc1c(cccc1Cl)F 1626a_100000760031_100015343762 [0,2,0,0,0,0|1,0,0]=3 5948 B12R1.1009 CC(=O)Nc1c(cccc1Cl)O 22a_100012022510_100000070787 [0,2,0,0,0,0|1,0,0]=3 5949 B12R1.1009 CC(=O)Nc1c(cccc1Cl)O 527a_100012022510_100103153847 [0,2,0,0,0,0|1,0,0]=3 5950 B12R1.1009 CC(=O)Nc1c(cccc1F)C 11a_100000766463_100015343762 [0,2,0,0,0,0|1,0,0]=3 5951 B12R1.1009 CC(=O)Nc1c(cccc1F)C 1626a_100000766463_100015343762 [0,2,0,0,0,0|1,0,0]=3 5952 B12R1.1009 CC(=O)Nc1c(cccc1F)C 22a_100000766463_100000070787 [0,2,0,0,0,0|1,0,0]=3 5953 B12R1.1009 CC(=O)Nc1c(cccc1F)F 11a_100000210704_100015343762 [0,2,0,0,0,0|1,0,0]=3 5954 B12R1.1009 CC(=O)Nc1c(cccc1F)F 1626a_100000210704_100015343762 [0,2,0,0,0,0|1,0,0]=3 5955 B12R1.1009 CC(=O)Nc1c(cccc1F)O 22a_100020591140_100000070787 [0,2,0,0,0,0|1,0,0]=3 5956 B12R1.1009 CC(=O)Nc1c(cccc1F)O 527a_100020591140_100103153847 [0,2,0,0,0,0|1,0,0]=3 5957 B12R1.1009 CC(=O)Nc1c(cccc1I)Br 11a_100010146558_100015343762 [0,2,0,0,0,0|1,0,0]=3 5958 B12R1.1009 CC(=O)Nc1c(cccc1I)Br 1626a_100010146558_100015343762 [0,2,0,0,0,0|1,0,0]=3 5959 B12R1.1009 CC(=O)Nc1c(cccc1I)Cl 11a_100010190421_100015343762 [0,2,0,0,0,0|1,0,0]=3 5960 B12R1.1009 CC(=O)Nc1c(cccc1I)Cl 1626a_100010190421_100015343762 [0,2,0,0,0,0|1,0,0]=3 5961 B12R1.1009 CC(=O)Nc1c(cccc1I)F 11a_100000042321_100015343762 [0,2,0,0,0,0|1,0,0]=3 5962 B12R1.1009 CC(=O)Nc1c(cccc1I)F 1626a_100000042321_100015343762 [0,2,0,0,0,0|1,0,0]=3 5963 B12R1.1009 CC(=O)Nc1c(cccc1I)O 22a_200000049512_100000070787 [0,2,0,0,0,0|1,0,0]=3 5964 B12R1.1009 CC(=O)Nc1c(cccc1I)O 527a_200000049512_100103153847 [0,2,0,0,0,0|1,0,0]=3 5965 B12R1.1009 CC(=O)Nc1c(cccc1O)C 22a_100000743429_100000070787 [0,2,0,0,0,0|1,0,0]=3 5966 B12R1.1009 CC(=O)Nc1c(cccc1O)C 527a_100000743429_100103153847 [0,2,0,0,0,0|1,0,0]=3 5967 B12R1.1009 CC(=O)Nc1c(cccc1O)O 22a_100011995820_100000070787 [0,2,0,0,0,0|1,0,0]=3 5968 B12R1.1009 CC(=O)Nc1c(cccc1O)O 527a_100011995820_100103153847 [0,2,0,0,0,0|1,0,0]=3 5969 B12R1.1009 CC(C)Oc1c(cccc1Br)Br 34a_100000736428_100000210206 [0,2,0,0,0,0|1,0,1]=4 5970 B12R1.1009 CC(C)Oc1c(cccc1Br)Br 7a_100000736428_100000210206 [0,2,0,0,0,0|1,0,1]=4 5971 B12R1.1009 CC(C)Oc1c(cccc1Br)Cl 34a_100010214474_100000210206 [0,2,0,0,0,0|1,0,1]=4 5972 B12R1.1009 CC(C)Oc1c(cccc1Br)Cl 7a_100010214474_100000210206 [0,2,0,0,0,0|1,0,1]=4 5973 B12R1.1009 CC(C)Oc1c(cccc1Br)F 34a_100009813666_100000210206 [0,2,0,0,0,0|1,0,1]=4 5974 B12R1.1009 CC(C)Oc1c(cccc1Br)F 7a_100009813666_100000210206 [0,2,0,0,0,0|1,0,1]=4 5975 B12R1.1009 CC(C)Oc1c(cccc1Br)N 34a_100011934915_100000210206 [0,2,0,0,0,0|1,0,1]=4 5976 B12R1.1009 CC(C)Oc1c(cccc1Cl)Cl 34a_100000211709_100000210206 [0,2,0,0,0,0|1,0,1]=4 5977 B12R1.1009 CC(C)Oc1c(cccc1Cl)Cl 7a_100000211709_100000210206 [0,2,0,0,0,0|1,0,1]=4 5978 B12R1.1009 CC(C)Oc1c(cccc1Cl)F 34a_100000694953_100000210206 [0,2,0,0,0,0|1,0,1]=4 5979 B12R1.1009 CC(C)Oc1c(cccc1Cl)F 7a_100000694953_100000210206 [0,2,0,0,0,0|1,0,1]=4 5980 B12R1.1009 CC(C)Oc1c(cccc1Cl)N 34a_100000754742_100000210206 [0,2,0,0,0,0|1,0,1]=4 5981 B12R1.1009 CC(C)Oc1c(cccc1F)F 34a_100000230165_100000210206 [0,2,0,0,0,0|1,0,1]=4 5982 B12R1.1009 CC(C)Oc1c(cccc1F)F 7a_100000230165_100000210206 [0,2,0,0,0,0|1,0,1]=4 5983 B12R1.1009 CC(C)Oc1c(cccc1F)N 34a_100011934987_100000210206 [0,2,0,0,0,0|1,0,1]=4 5984 B12R1.1009 CC(C)Oc1c(cccc1F)O 271570a_203496583355_200010078528 [0,2,0,0,0,0|1,0,1]=4 5985 B12R1.1009 CC(C)Oc1c(cccc1I)Br 34a_100010084509_100000210206 [0,2,0,0,0,0|1,0,1]=4 5986 B12R1.1009 CC(C)Oc1c(cccc1I)Br 7a_100010084509_100000210206 [0,2,0,0,0,0|1,0,1]=4 5987 B12R1.1009 CC(C)Oc1c(cccc1I)Cl 34a_100010202889_100000210206 [0,2,0,0,0,0|1,0,1]=4 5988 B12R1.1009 CC(C)Oc1c(cccc1I)Cl 7a_100010202889_100000210206 [0,2,0,0,0,0|1,0,1]=4 5989 B12R1.1009 CC(C)Oc1c(cccc1I)F 34a_100010186298_100000210206 [0,2,0,0,0,0|1,0,1]=4 5990 B12R1.1009 CC(C)Oc1c(cccc1I)F 7a_100010186298_100000210206 [0,2,0,0,0,0|1,0,1]=4 5991 B12R1.1009 CC(C)Oc1c(cccc1I)N 34a_100010084371_100000210206 [0,2,0,0,0,0|1,0,1]=4 5992 B12R1.1009 CC(C)Oc1c(cccc1N)N 34a_200016994477_100000210206 [0,2,0,0,0,0|1,0,1]=4 5993 B12R1.1009 Cc1cccc(c1CC(=O)[13CH3])Br 1458a_100010147022_200025704644 [0,2,0,0,0,0|1,0,0]=3 5994 B12R1.1009 Cc1cccc(c1CC(=O)[13CH3])C 1458a_100000689862_200025704644 [0,2,0,0,0,0|1,0,0]=3 5995 B12R1.1009 Cc1cccc(c1OC(C)C)Br 34a_100009817157_100000210206 [0,2,0,0,0,0|1,0,1]=4 5996 B12R1.1009 Cc1cccc(c1OC(C)C)Br 7a_100009817157_100000210206 [0,2,0,0,0,0|1,0,1]=4 5997 B12R1.1009 Cc1cccc(c1OC(C)C)C 34a_100000210341_100000210206 [0,2,0,0,0,0|1,0,1]=4 5998 B12R1.1009 Cc1cccc(c1OC(C)C)C 7a_100000210341_100000210206 [0,2,0,0,0,0|1,0,1]=4 5999 B12R1.1009 Cc1cccc(c1OC(C)C)Cl 34a_100000033731_100000210206 [0,2,0,0,0,0|1,0,1]=4 6000 B12R1.1009 Cc1cccc(c1OC(C)C)Cl 7a_100000033731_100000210206 [0,2,0,0,0,0|1,0,1]=4 6001 B12R1.1009 Cc1cccc(c1OC(C)C)F 34a_100011659162_100000210206 [0,2,0,0,0,0|1,0,1]=4 6002 B12R1.1009 Cc1cccc(c1OC(C)C)F 7a_100011659162_100000210206 [0,2,0,0,0,0|1,0,1]=4 6003 B12R1.1009 Cc1cccc(c1OC(C)C)N 34a_100000756359_100000210206 [0,2,0,0,0,0|1,0,1]=4 6004 B12R1.1009 Cc1cccc(c1OC(C)C)N 7a_100000756359_100000210206 [0,2,0,0,0,0|1,0,1]=4 6005 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Br)Br 1458a_100010209379_200025704644 [0,2,0,0,0,0|1,0,0]=3 6006 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Br)Cl 1458a_100013084675_200025704644 [0,2,0,0,0,0|1,0,0]=3 6007 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Br)F 1458a_100010172741_200025704644 [0,2,0,0,0,0|1,0,0]=3 6008 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Cl)Cl 1458a_100000211232_200025704644 [0,2,0,0,0,0|1,0,0]=3 6009 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Cl)F 1458a_100000185183_200025704644 [0,2,0,0,0,0|1,0,0]=3 6010 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1F)F 1458a_100000684726_200025704644 [0,2,0,0,0,0|1,0,0]=3 6011 B12R1.101 CC(=Cc1cc(cc(c1)Br)Br)C 271570a_100102525489_100009814770 [0,2,0,0,0,0|2,0,0]=4 6012 B12R1.101 CC(=Cc1cc(cc(c1)Br)Cl)C 271570a_100102525489_100009814755 [0,2,0,0,0,0|2,0,0]=4 6013 B12R1.101 CC(=Cc1cc(cc(c1)Br)F)C 271570a_100102525489_100009814764 [0,2,0,0,0,0|2,0,0]=4 6014 B12R1.101 CC(=Cc1cc(cc(c1)Br)N)C 271570a_100102525489_100009814763 [0,2,0,0,0,0|2,0,0]=4 6015 B12R1.101 CC(=Cc1cc(cc(c1)Br)O)C 271570a_100102525489_100010068917 [0,2,0,0,0,0|2,0,0]=4 6016 B12R1.101 CC(=Cc1cc(cc(c1)C)C)C 271570a_100102525489_100011215608 [0,2,0,0,0,0|2,0,0]=4 6017 B12R1.101 CC(=Cc1cc(cc(c1)Cl)C)C 271570a_100102525489_100010172791 [0,2,0,0,0,0|2,0,0]=4 6018 B12R1.101 CC(=Cc1cc(cc(c1)Cl)Cl)C 271570a_100102525489_100000747138 [0,2,0,0,0,0|2,0,0]=4 6019 B12R1.101 CC(=Cc1cc(cc(c1)Cl)F)C 271570a_100102525489_100013859453 [0,2,0,0,0,0|2,0,0]=4 6020 B12R1.101 CC(=Cc1cc(cc(c1)Cl)N)C 271570a_100102525489_100010147676 [0,2,0,0,0,0|2,0,0]=4 6021 B12R1.101 CC(=Cc1cc(cc(c1)Cl)O)C 271570a_100102525489_100010068924 [0,2,0,0,0,0|2,0,0]=4 6022 B12R1.101 CC(=Cc1cc(cc(c1)F)C)C 271570a_100102525489_100011356977 [0,2,0,0,0,0|2,0,0]=4 6023 B12R1.101 CC(=Cc1cc(cc(c1)F)F)C 271570a_100102525489_100011218498 [0,2,0,0,0,0|2,0,0]=4 6024 B12R1.101 CC(=Cc1cc(cc(c1)F)N)C 271570a_100102525489_100011356972 [0,2,0,0,0,0|2,0,0]=4 6025 B12R1.101 CC(=Cc1cc(cc(c1)F)O)C 271570a_100102525489_100000717995 [0,2,0,0,0,0|2,0,0]=4 6026 B12R1.101 CC(=Cc1cc(cc(c1)N)C)C 271570a_100102525489_100000695972 [0,2,0,0,0,0|2,0,0]=4 6027 B12R1.101 CC(=Cc1cc(cc(c1)N)N)C 271570a_100102525489_100011999608 [0,2,0,0,0,0|2,0,0]=4 6028 B12R1.101 CC(=Cc1cc(cc(c1)O)C)C 271570a_100102525489_100011999630 [0,2,0,0,0,0|2,0,0]=4 6029 B12R1.101 CC(=Cc1cc(cc(c1)O)O)C 271570a_100102525489_100009868816 [0,2,0,0,0,0|2,0,0]=4 6030 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)Br 1458a_100000070787_100011216082 [0,2,0,0,0,0|1,0,0]=3 6031 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)Br 1458a_100010186705_200000210301 [0,2,0,0,0,0|1,0,0]=3 6032 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)C 1458a_100000070787_100012348363 [0,2,0,0,0,0|1,0,0]=3 6033 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)F 1458a_100000070787_100000766940 [0,2,0,0,0,0|1,0,0]=3 6034 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)F 1458a_100011935118_200000210301 [0,2,0,0,0,0|1,0,0]=3 6035 B12R1.101 CC(=O)Cc1cc(cc(c1)C)C 1458a_100000070787_100000181317 [0,2,0,0,0,0|1,0,0]=3 6036 B12R1.101 CC(=O)Cc1cc(cc(c1)C)C 1458a_100011202310_200000210301 [0,2,0,0,0,0|1,0,0]=3 6037 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100000070787_100011219208 [0,2,0,0,0,0|1,0,0]=3 6038 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100012340057_200000210301 [0,2,0,0,0,0|1,0,0]=3 6039 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)F 1458a_100000070787_100011219885 [0,2,0,0,0,0|1,0,0]=3 6040 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)F 1458a_100011217690_200000210301 [0,2,0,0,0,0|1,0,0]=3 6041 B12R1.101 CC(=O)Cc1cc(cc(c1)F)C 1458a_100000070787_100011219130 [0,2,0,0,0,0|1,0,0]=3 6042 B12R1.101 CC(=O)Cc1cc(cc(c1)F)C 1458a_100011216671_200000210301 [0,2,0,0,0,0|1,0,0]=3 6043 B12R1.101 CC(=O)Cc1cc(cc(c1)F)F 1458a_100000070787_100000697002 [0,2,0,0,0,0|1,0,0]=3 6044 B12R1.101 CC(=O)Cc1cc(cc(c1)F)F 1458a_100011220011_200000210301 [0,2,0,0,0,0|1,0,0]=3 6045 B12R1.101 CC(=O)Cc1cc(cc(c1)I)Br 1458a_100000070787_100010146614 [0,2,0,0,0,0|1,0,0]=3 6046 B12R1.101 CC(=O)Cc1cc(cc(c1)I)F 1458a_100000070787_100010149605 [0,2,0,0,0,0|1,0,0]=3 6047 B12R1.101 CC(=O)Cc1cc(cc(n1)C)C 1458a_100000070787_100012357514 [0,2,0,0,0,0|2,0,0]=4 6048 B12R1.101 CC(=O)Cc1cc(nc(c1)C)C 1458a_100000070787_200000139866 [0,2,0,0,0,0|2,0,0]=4 6049 B12R1.101 CC(=O)Cc1cc(nc(c1)Cl)Cl 1458a_100000070787_100000052781 [0,2,0,0,0,0|2,0,0]=4 6050 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Br 11a_100012047176_100015343762 [0,2,0,0,0,0|1,0,0]=3 6051 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Br 1626a_100012047176_100015343762 [0,2,0,0,0,0|1,0,0]=3 6052 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Br 22a_100012047176_100000070787 [0,2,0,0,0,0|1,0,0]=3 6053 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Br 527a_100012047176_100103153847 [0,2,0,0,0,0|1,0,0]=3 6054 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 11a_100000695972_100015343762 [0,2,0,0,0,0|1,0,0]=3 6055 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 1626a_100000695972_100015343762 [0,2,0,0,0,0|1,0,0]=3 6056 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 22a_100000695972_100000070787 [0,2,0,0,0,0|1,0,0]=3 6057 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 527a_100000695972_100103153847 [0,2,0,0,0,0|1,0,0]=3 6058 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Cl 11a_100011934539_100015343762 [0,2,0,0,0,0|1,0,0]=3 6059 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Cl 1626a_100011934539_100015343762 [0,2,0,0,0,0|1,0,0]=3 6060 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)Cl 22a_100011934539_100000070787 [0,2,0,0,0,0|1,0,0]=3 6061 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)F 11a_100000705686_100015343762 [0,2,0,0,0,0|1,0,0]=3 6062 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)F 1626a_100000705686_100015343762 [0,2,0,0,0,0|1,0,0]=3 6063 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)F 22a_100000705686_100000070787 [0,2,0,0,0,0|1,0,0]=3 6064 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 11a_100000210930_100015343762 [0,2,0,0,0,0|1,0,0]=3 6065 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 1626a_100000210930_100015343762 [0,2,0,0,0,0|1,0,0]=3 6066 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 22a_100000210930_100000070787 [0,2,0,0,0,0|1,0,0]=3 6067 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 527a_100000210930_100103153847 [0,2,0,0,0,0|1,0,0]=3 6068 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)C 11a_100012022512_100015343762 [0,2,0,0,0,0|1,0,0]=3 6069 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)C 1626a_100012022512_100015343762 [0,2,0,0,0,0|1,0,0]=3 6070 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)C 22a_100012022512_100000070787 [0,2,0,0,0,0|1,0,0]=3 6071 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)Cl 11a_100000210456_100015343762 [0,2,0,0,0,0|1,0,0]=3 6072 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)Cl 1626a_100000210456_100015343762 [0,2,0,0,0,0|1,0,0]=3 6073 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)Cl 22a_100000210456_100000070787 [0,2,0,0,0,0|1,0,0]=3 6074 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)F 11a_100000686136_100015343762 [0,2,0,0,0,0|1,0,0]=3 6075 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)F 1626a_100000686136_100015343762 [0,2,0,0,0,0|1,0,0]=3 6076 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)F 22a_100000686136_100000070787 [0,2,0,0,0,0|1,0,0]=3 6077 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)O 1626a_100000123917_100015343762 [0,2,0,0,0,0|1,0,0]=3 6078 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)O 22a_100000123917_100000070787 [0,2,0,0,0,0|1,0,0]=3 6079 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 11a_100000742734_100015343762 [0,2,0,0,0,0|1,0,0]=3 6080 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 1626a_100000742734_100015343762 [0,2,0,0,0,0|1,0,0]=3 6081 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 22a_100000742734_100000070787 [0,2,0,0,0,0|1,0,0]=3 6082 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 527a_100000742734_100103153847 [0,2,0,0,0,0|1,0,0]=3 6083 B12R1.101 CC(=O)Nc1cc(cc(c1)F)F 11a_100000233717_100015343762 [0,2,0,0,0,0|1,0,0]=3 6084 B12R1.101 CC(=O)Nc1cc(cc(c1)F)F 1626a_100000233717_100015343762 [0,2,0,0,0,0|1,0,0]=3 6085 B12R1.101 CC(=O)Nc1cc(cc(c1)F)F 22a_100000233717_100000070787 [0,2,0,0,0,0|1,0,0]=3 6086 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Br 11a_100009814763_100015343762 [0,2,0,0,0,0|1,0,0]=3 6087 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Br 1626a_100009814763_100015343762 [0,2,0,0,0,0|1,0,0]=3 6088 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Br 22a_100009814763_100000070787 [0,2,0,0,0,0|1,0,0]=3 6089 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Br 527a_100009814763_100103153847 [0,2,0,0,0,0|1,0,0]=3 6090 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Cl 11a_100010147676_100015343762 [0,2,0,0,0,0|1,0,0]=3 6091 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Cl 1626a_100010147676_100015343762 [0,2,0,0,0,0|1,0,0]=3 6092 B12R1.101 CC(=O)Nc1cc(cc(c1)I)Cl 22a_100010147676_100000070787 [0,2,0,0,0,0|1,0,0]=3 6093 B12R1.101 CC(=O)Nc1cc(cc(c1)I)F 11a_100011356972_100015343762 [0,2,0,0,0,0|1,0,0]=3 6094 B12R1.101 CC(=O)Nc1cc(cc(c1)I)F 1626a_100011356972_100015343762 [0,2,0,0,0,0|1,0,0]=3 6095 B12R1.101 CC(=O)Nc1cc(cc(c1)I)F 22a_100011356972_100000070787 [0,2,0,0,0,0|1,0,0]=3 6096 B12R1.101 CC(=O)Nc1cc(cc(c1)I)I 11a_200000696836_100015343762 [0,2,0,0,0,0|1,0,0]=3 6097 B12R1.101 CC(=O)Nc1cc(cc(c1)I)I 1626a_200000696836_100015343762 [0,2,0,0,0,0|1,0,0]=3 6098 B12R1.101 CC(=O)Nc1cc(cc(c1)I)I 22a_200000696836_100000070787 [0,2,0,0,0,0|1,0,0]=3 6099 B12R1.101 CC(=O)Nc1cc(cc(c1)I)I 527a_200000696836_100103153847 [0,2,0,0,0,0|1,0,0]=3 6100 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 1626a_100011995906_100015343762 [0,2,0,0,0,0|1,0,0]=3 6101 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 22a_100011995906_100000070787 [0,2,0,0,0,0|1,0,0]=3 6102 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 527a_100011995906_100103153847 [0,2,0,0,0,0|1,0,0]=3 6103 B12R1.101 CC(=O)Nc1cc(cc(c1)O)O 527a_100000043371_100103153847 [0,2,0,0,0,0|1,0,0]=3 6104 B12R1.101 CC(=O)Oc1cc(cc(c1)F)O 271570a_203496583355_200015324874 [0,2,0,0,0,0|0,0,0]=2 6105 B12R1.101 CC(C)Oc1cc(cc(c1)Br)Br 34a_100010167048_100000210206 [0,2,0,0,0,0|1,0,1]=4 6106 B12R1.101 CC(C)Oc1cc(cc(c1)Br)Br 7a_100010167048_100000210206 [0,2,0,0,0,0|1,0,1]=4 6107 B12R1.101 CC(C)Oc1cc(cc(c1)Br)Cl 34a_100010185897_100000210206 [0,2,0,0,0,0|1,0,1]=4 6108 B12R1.101 CC(C)Oc1cc(cc(c1)Br)Cl 7a_100010185897_100000210206 [0,2,0,0,0,0|1,0,1]=4 6109 B12R1.101 CC(C)Oc1cc(cc(c1)Br)F 34a_100000688818_100000210206 [0,2,0,0,0,0|1,0,1]=4 6110 B12R1.101 CC(C)Oc1cc(cc(c1)Br)F 7a_100000688818_100000210206 [0,2,0,0,0,0|1,0,1]=4 6111 B12R1.101 CC(C)Oc1cc(cc(c1)Cl)Cl 34a_100000181315_100000210206 [0,2,0,0,0,0|1,0,1]=4 6112 B12R1.101 CC(C)Oc1cc(cc(c1)Cl)Cl 7a_100000181315_100000210206 [0,2,0,0,0,0|1,0,1]=4 6113 B12R1.101 CC(C)Oc1cc(cc(c1)Cl)F 34a_100011219751_100000210206 [0,2,0,0,0,0|1,0,1]=4 6114 B12R1.101 CC(C)Oc1cc(cc(c1)Cl)F 7a_100011219751_100000210206 [0,2,0,0,0,0|1,0,1]=4 6115 B12R1.101 CC(C)Oc1cc(cc(c1)Cl)N 34a_100000123917_100000210206 [0,2,0,0,0,0|1,0,1]=4 6116 B12R1.101 CC(C)Oc1cc(cc(c1)Cl)N 7a_100000123917_100000210206 [0,2,0,0,0,0|1,0,1]=4 6117 B12R1.101 CC(C)Oc1cc(cc(c1)F)F 34a_100000747503_100000210206 [0,2,0,0,0,0|1,0,1]=4 6118 B12R1.101 CC(C)Oc1cc(cc(c1)F)F 7a_100000747503_100000210206 [0,2,0,0,0,0|1,0,1]=4 6119 B12R1.101 CC(C)Oc1cc(cc(c1)I)Br 34a_100010068917_100000210206 [0,2,0,0,0,0|1,0,1]=4 6120 B12R1.101 CC(C)Oc1cc(cc(c1)I)Br 7a_100010068917_100000210206 [0,2,0,0,0,0|1,0,1]=4 6121 B12R1.101 CC(C)Oc1cc(cc(c1)I)Cl 34a_100010068924_100000210206 [0,2,0,0,0,0|1,0,1]=4 6122 B12R1.101 CC(C)Oc1cc(cc(c1)I)Cl 7a_100010068924_100000210206 [0,2,0,0,0,0|1,0,1]=4 6123 B12R1.101 CC(C)Oc1cc(cc(c1)I)F 34a_100000717995_100000210206 [0,2,0,0,0,0|1,0,1]=4 6124 B12R1.101 CC(C)Oc1cc(cc(c1)I)F 7a_100000717995_100000210206 [0,2,0,0,0,0|1,0,1]=4 6125 B12R1.101 Cc1cc(cc(c1)CC(=O)[13CH3])C 1458a_100011202310_200025704644 [0,2,0,0,0,0|1,0,0]=3 6126 B12R1.101 Cc1cc(cc(c1)CC(=O)[13CH3])F 1458a_100011216671_200025704644 [0,2,0,0,0,0|1,0,0]=3 6127 B12R1.101 Cc1cc(cc(c1)OC(C)C)Br 34a_100011999630_100000210206 [0,2,0,0,0,0|1,0,1]=4 6128 B12R1.101 Cc1cc(cc(c1)OC(C)C)Br 7a_100011999630_100000210206 [0,2,0,0,0,0|1,0,1]=4 6129 B12R1.101 Cc1cc(cc(c1)OC(C)C)C 34a_100000210933_100000210206 [0,2,0,0,0,0|1,0,1]=4 6130 B12R1.101 Cc1cc(cc(c1)OC(C)C)C 7a_100000210933_100000210206 [0,2,0,0,0,0|1,0,1]=4 6131 B12R1.101 Cc1cc(cc(c1)OC(C)C)Cl 34a_100000087485_100000210206 [0,2,0,0,0,0|1,0,1]=4 6132 B12R1.101 Cc1cc(cc(c1)OC(C)C)Cl 7a_100000087485_100000210206 [0,2,0,0,0,0|1,0,1]=4 6133 B12R1.101 Cc1cc(cc(c1)OC(C)C)F 34a_100011830401_100000210206 [0,2,0,0,0,0|1,0,1]=4 6134 B12R1.101 Cc1cc(cc(c1)OC(C)C)F 7a_100011830401_100000210206 [0,2,0,0,0,0|1,0,1]=4 6135 B12R1.101 Cc1cc(cc(c1)OC(C)C)N 34a_100011995906_100000210206 [0,2,0,0,0,0|1,0,1]=4 6136 B12R1.101 Cc1cc(cc(c1)OC(C)C)N 7a_100011995906_100000210206 [0,2,0,0,0,0|1,0,1]=4 6137 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Br)Br 1458a_100010186705_200025704644 [0,2,0,0,0,0|1,0,0]=3 6138 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Br)F 1458a_100011935118_200025704644 [0,2,0,0,0,0|1,0,0]=3 6139 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100012340057_200025704644 [0,2,0,0,0,0|1,0,0]=3 6140 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Cl)F 1458a_100011217690_200025704644 [0,2,0,0,0,0|1,0,0]=3 6141 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)F)F 1458a_100011220011_200025704644 [0,2,0,0,0,0|1,0,0]=3 6142 B12R1.119 CC(C)(C)Oc1cccc(c1)Br 34a_100000210342_100000210625 [0,2,0,0,0,0|1,0,1]=4 6143 B12R1.119 CC(C)(C)Oc1cccc(c1)Cl 34a_100000210295_100000210625 [0,2,0,0,0,0|1,0,1]=4 6144 B12R1.119 CC(C)(C)Oc1cccc(c1)F 34a_100000210426_100000210625 [0,2,0,0,0,0|1,0,1]=4 6145 B12R1.119 CC(C)(C)Oc1cccc(c1)I 34a_100000211634_100000210625 [0,2,0,0,0,0|1,0,1]=4 6146 B12R1.119 CC(C)(C)Oc1cccc(c1)N 34a_100000210217_100000210625 [0,2,0,0,0,0|1,0,1]=4 6147 B12R1.119 CC(C)(C)Oc1cccc(c1)O 271570a_203496583355_100010078498 [0,2,0,0,0,0|1,0,1]=4 6148 B12R1.119 CS(=O)(=O)Cc1cccc(c1)O 271570a_203496583355_200009814643 [0,2,0,0,0,0|2,0,0]=4 6149 B12R1.119 CS(=O)(=O)Nc1cccc(c1)Br 40a_100000210019_100000738038 [0,2,0,0,0,0|2,0,0]=4 6150 B12R1.119 CS(=O)(=O)Nc1cccc(c1)Cl 40a_100000185859_100000738038 [0,2,0,0,0,0|2,0,0]=4 6151 B12R1.119 CS(=O)(=O)Nc1cccc(c1)F 40a_100000210047_100000738038 [0,2,0,0,0,0|2,0,0]=4 6152 B12R1.119 CS(=O)(=O)Nc1cccc(c1)I 40a_100000211102_100000738038 [0,2,0,0,0,0|2,0,0]=4 6153 B12R1.119 CS(=O)(=O)Nc1cccc(c1)O 271570a_203496583355_100000165606 [0,2,0,0,0,0|2,0,0]=4 6154 B12R1.119 CS(=O)(=O)Nc1cccc(c1)O 40a_100000210217_100000738038 [0,2,0,0,0,0|2,0,0]=4 6155 B12R1.119 C[Si](C)(C)Oc1cccc(c1)O 271570a_203496583355_200009816539 [0,2,0,0,0,0|1,1,0]=4 6156 B12R1.119 Cc1cccc(c1)NS(=O)(=O)C 40a_100000188690_100000738038 [0,2,0,0,0,0|2,0,0]=4 6157 B12R1.119 Cc1cccc(c1)OC(C)(C)C 34a_100000210337_100000210625 [0,2,0,0,0,0|1,0,1]=4 6158 B12R1.438 C#Cc1cccc(c1)NC(=O)C 11a_100000735509_100015343762 [0,2,0,0,0,0|1,0,0]=3 6159 B12R1.438 C#Cc1cccc(c1)NC(=O)C 1626a_100000735509_100015343762 [0,2,0,0,0,0|1,0,0]=3 6160 B12R1.438 C#Cc1cccc(c1)NC(=O)C 22a_100000735509_100000070787 [0,2,0,0,0,0|1,0,0]=3 6161 B12R1.438 C#Cc1cccc(c1)NC(=O)C 527a_100000735509_100103153847 [0,2,0,0,0,0|1,0,0]=3 6162 B12R1.438 C#Cc1cccc(c1)OC(C)C 34a_100011216014_100000210206 [0,2,0,0,0,0|1,0,1]=4 6163 B12R1.438 C#Cc1cccc(c1)OC(C)C 7a_100011216014_100000210206 [0,2,0,0,0,0|1,0,1]=4 6164 B12R1.438 C=Cc1cc(ccn1)NC(=O)C 271570a_100011290941_100000238608 [0,2,0,0,0,0|2,0,0]=4 6165 B12R1.438 C=Cc1cccc(c1)CC(=O)C 271570a_100011290941_100000689217 [0,2,0,0,0,0|1,0,0]=3 6166 B12R1.438 C=Cc1cccc(c1)CC(=O)N 271570a_100011290941_100011586816 [0,2,0,0,0,0|2,0,0]=4 6167 B12R1.438 C=Cc1cccc(c1)NC(=O)C 11a_100011827668_100015343762 [0,2,0,0,0,0|1,0,0]=3 6168 B12R1.438 C=Cc1cccc(c1)NC(=O)C 1626a_100011827668_100015343762 [0,2,0,0,0,0|1,0,0]=3 6169 B12R1.438 C=Cc1cccc(c1)NC(=O)C 22a_100011827668_100000070787 [0,2,0,0,0,0|1,0,0]=3 6170 B12R1.438 C=Cc1cccc(c1)NC(=O)C 271570a_100011290941_100000153616 [0,2,0,0,0,0|1,0,0]=3 6171 B12R1.438 C=Cc1cccc(c1)NC(=O)C 527a_100011827668_100103153847 [0,2,0,0,0,0|1,0,0]=3 6172 B12R1.438 C=Cc1cccc(c1)NC(=O)N 271570a_100011290941_100000238923 [0,2,0,0,0,0|2,0,0]=4 6173 B12R1.438 C=Cc1cccc(c1)OC(=O)C 271570a_100011290941_100009811612 [0,2,0,0,0,0|0,0,0]=2 6174 B12R1.438 C=Cc1cccc(c1)OC(C)C 271570a_100011290941_100000170003 [0,2,0,0,0,0|1,0,1]=4 6175 B12R1.438 C=Cc1cccc(c1)OC(C)C 34a_100011309434_100000210206 [0,2,0,0,0,0|1,0,1]=4 6176 B12R1.438 C=Cc1cccc(c1)OC(C)C 7a_100011309434_100000210206 [0,2,0,0,0,0|1,0,1]=4 6177 B12R1.438 C=Cc1cccc(n1)NC(=O)C 271570a_100011290941_200011307899 [0,2,0,0,0,0|2,0,0]=4 6178 B12R1.438 C=Cc1ccnc(c1)NC(=O)C 271570a_100011290941_100012362434 [0,2,0,0,0,0|2,0,0]=4 6179 B12R1.438 C=Cc1cncc(c1)NC(=O)C 271570a_100011290941_100012351681 [0,2,0,0,0,0|2,0,0]=4 6180 B12R1.438 CC(=Cc1cccc(c1)C#N)C 271570a_100102525489_100000189340 [0,2,0,0,0,0|2,0,0]=4 6181 B12R1.438 CC(=Cc1cccc(c1)C=O)C 271570a_100102525489_100000014684 [0,2,0,0,0,0|2,0,0]=4 6182 B12R1.438 CC(=Cc1cccc(c1)CF)C 271570a_100102525489_100010878472 [0,2,0,0,0,0|2,0,0]=4 6183 B12R1.438 CC(=Cc1cccc(c1)CN)C 271570a_100102525489_100000106179 [0,2,0,0,0,0|2,0,0]=4 6184 B12R1.438 CC(=Cc1cccc(c1)CO)C 271570a_100102525489_100000687537 [0,2,0,0,0,0|2,0,0]=4 6185 B12R1.438 CC(=Cc1cccc(c1)NN)C 271570a_100102525489_100000217339 [0,2,0,0,0,0|2,0,0]=4 6186 B12R1.438 CC(=O)Cc1cccc(c1)C#N 1458a_100000070787_100000233786 [0,2,0,0,0,0|1,0,0]=3 6187 B12R1.438 CC(=O)Cc1cccc(c1)C#N 1458a_100000684415_200000210301 [0,2,0,0,0,0|1,0,0]=3 6188 B12R1.438 CC(=O)Cc1cccc(c1)C=O 1458a_100000070787_100009816774 [0,2,0,0,0,0|1,0,0]=3 6189 B12R1.438 CC(=O)Cc1cccc(c1)CO 1458a_100000070787_100010188025 [0,2,0,0,0,0|1,0,0]=3 6190 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_100000689217_200025704644 [0,2,0,0,0,0|1,0,0]=3 6191 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_200025704644_100000689217 [0,2,0,0,0,0|1,0,0]=3 6192 B12R1.438 CC(=O)Cc1cccc(n1)C#N 1458a_100000070787_100000097530 [0,2,0,0,0,0|2,0,0]=4 6193 B12R1.438 CC(=O)Cc1cccc(n1)CO 1458a_100000070787_100009813551 [0,2,0,0,0,0|2,0,0]=4 6194 B12R1.438 CC(=O)Cc1cncc(c1)C#N 1458a_100000070787_200020634941 [0,2,0,0,0,0|2,0,0]=4 6195 B12R1.438 CC(=O)Nc1cc(ccn1)S[13CH3] 62a_200025704644_100012362434 [0,2,0,0,0,0|2,0,0]=4 6196 B12R1.438 CC(=O)Nc1cccc(c1)C#N 11a_100000210922_100015343762 [0,2,0,0,0,0|1,0,0]=3 6197 B12R1.438 CC(=O)Nc1cccc(c1)C#N 1626a_100000210922_100015343762 [0,2,0,0,0,0|1,0,0]=3 6198 B12R1.438 CC(=O)Nc1cccc(c1)C#N 22a_100000210922_100000070787 [0,2,0,0,0,0|1,0,0]=3 6199 B12R1.438 CC(=O)Nc1cccc(c1)C#N 527a_100000210922_100103153847 [0,2,0,0,0,0|1,0,0]=3 6200 B12R1.438 CC(=O)Nc1cccc(c1)CF 11a_100000126320_100015343762 [0,2,0,0,0,0|1,0,0]=3 6201 B12R1.438 CC(=O)Nc1cccc(c1)CF 1626a_100000126320_100015343762 [0,2,0,0,0,0|1,0,0]=3 6202 B12R1.438 CC(=O)Nc1cccc(c1)CF 22a_100000126320_100000070787 [0,2,0,0,0,0|1,0,0]=3 6203 B12R1.438 CC(=O)Nc1cccc(c1)CF 527a_100000126320_100103153847 [0,2,0,0,0,0|1,0,0]=3 6204 B12R1.438 CC(=O)Nc1cccc(c1)CO 22a_100000211919_100000070787 [0,2,0,0,0,0|1,0,0]=3 6205 B12R1.438 CC(=O)Nc1cccc(c1)N[13CH3] 34a_100000749408_200025704644 [0,2,0,0,0,0|1,0,0]=3 6206 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 34a_100000158604_200025704644 [0,2,0,0,0,0|1,0,0]=3 6207 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 7a_100000158604_200025704644 [0,2,0,0,0,0|1,0,0]=3 6208 B12R1.438 CC(=O)Nc1cccc(c1)S[13CH3] 62a_200025704644_100000153616 [0,2,0,0,0,0|1,0,0]=3 6209 B12R1.438 CC(=O)Nc1cccc(n1)S[13CH3] 62a_200025704644_200011307899 [0,2,0,0,0,0|2,0,0]=4 6210 B12R1.438 CC(=O)Nc1ccnc(c1)S[13CH3] 62a_200025704644_100000238608 [0,2,0,0,0,0|2,0,0]=4 6211 B12R1.438 CC(=O)Nc1cncc(c1)S[13CH3] 62a_200025704644_100012351681 [0,2,0,0,0,0|2,0,0]=4 6212 B12R1.438 CC(=O)Oc1cccc(c1)O[13CH3] 7a_100011218754_200025704644 [0,2,0,0,0,0|0,0,0]=2 6213 B12R1.438 CC(=O)Oc1cccc(c1)S[13CH3] 62a_200025704644_100009811612 [0,2,0,0,0,0|0,0,0]=2 6214 B12R1.438 CC(C)Oc1cccc(c1)C#N 34a_100000184713_100000210206 [0,2,0,0,0,0|1,0,1]=4 6215 B12R1.438 CC(C)Oc1cccc(c1)C#N 7a_100000184713_100000210206 [0,2,0,0,0,0|1,0,1]=4 6216 B12R1.438 CC(C)Oc1cccc(c1)CBr 34a_100011660834_100000210206 [0,2,0,0,0,0|1,0,1]=4 6217 B12R1.438 CC(C)Oc1cccc(c1)CBr 7a_100011660834_100000210206 [0,2,0,0,0,0|1,0,1]=4 6218 B12R1.438 CC(C)Oc1cccc(c1)CCl 34a_100000084143_100000210206 [0,2,0,0,0,0|1,0,1]=4 6219 B12R1.438 CC(C)Oc1cccc(c1)CCl 7a_100000084143_100000210206 [0,2,0,0,0,0|1,0,1]=4 6220 B12R1.438 CC(C)Oc1cccc(c1)CN 34a_100000743036_100000210206 [0,2,0,0,0,0|1,0,1]=4 6221 B12R1.438 CC(C)Oc1cccc(c1)CO 34a_100011214949_100000210206 [0,2,0,0,0,0|1,0,1]=4 6222 B12R1.438 CC(C)Oc1cccc(c1)CO 7a_100011214949_100000210206 [0,2,0,0,0,0|1,0,1]=4 6223 B12R1.438 CC(C)Oc1cccc(c1)N[13CH3] 2230a_100011194262_200025704644 [0,2,0,0,0,0|1,0,1]=4 6224 B12R1.438 CC(C)Oc1cccc(c1)N[13CH3] 34a_100011194262_200025704644 [0,2,0,0,0,0|1,0,1]=4 6225 B12R1.438 CC(C)Oc1cccc(c1)N[13CH3] 7a_100011194262_200025704644 [0,2,0,0,0,0|1,0,1]=4 6226 B12R1.438 CC(C)Oc1cccc(c1)O[13CH3] 34a_100000753242_200025704644 [0,2,0,0,0,0|1,0,1]=4 6227 B12R1.438 CC(C)Oc1cccc(c1)O[13CH3] 7a_100000753242_200025704644 [0,2,0,0,0,0|1,0,1]=4 6228 B12R1.438 CC(C)Oc1cccc(c1)S[13CH3] 62a_100000170003_200025704644 [0,2,0,0,0,0|1,0,1]=4 6229 B12R1.438 CC(C)Oc1cccc(c1)S[13CH3] 62a_200025704644_100000170003 [0,2,0,0,0,0|1,0,1]=4 6230 B12R1.438 CCc1cccc(c1)C=C(C)C 271570a_100102525489_100000684523 [0,2,0,0,0,0|2,0,0]=4 6231 B12R1.438 CCc1cccc(c1)NC(=O)C 11a_100000211250_100015343762 [0,2,0,0,0,0|1,0,0]=3 6232 B12R1.438 CCc1cccc(c1)NC(=O)C 1626a_100000211250_100015343762 [0,2,0,0,0,0|1,0,0]=3 6233 B12R1.438 CCc1cccc(c1)NC(=O)C 22a_100000211250_100000070787 [0,2,0,0,0,0|1,0,0]=3 6234 B12R1.438 CCc1cccc(c1)NC(=O)C 527a_100000211250_100103153847 [0,2,0,0,0,0|1,0,0]=3 6235 B12R1.438 CCc1cccc(c1)OC(C)C 34a_100000211550_100000210206 [0,2,0,0,0,0|1,0,1]=4 6236 B12R1.438 CCc1cccc(c1)OC(C)C 7a_100000211550_100000210206 [0,2,0,0,0,0|1,0,1]=4 6237 B12R1.438 CNc1cccc(c1)C=C(C)C 271570a_100102525489_100000219648 [0,2,0,0,0,0|2,0,0]=4 6238 B12R1.438 CNc1cccc(c1)CC(=O)N 2230a_200011690101_200000210301 [0,2,0,0,0,0|2,0,0]=4 6239 B12R1.438 CNc1cccc(c1)CC(=O)N 34a_200011690101_200000210301 [0,2,0,0,0,0|2,0,0]=4 6240 B12R1.438 CNc1cccc(c1)NC(=O)C 34a_100000749408_200000210301 [0,2,0,0,0,0|1,0,0]=3 6241 B12R1.438 CNc1cccc(c1)NC(=O)N 34a_100000736001_200000210301 [0,2,0,0,0,0|2,0,0]=4 6242 B12R1.438 CNc1cccc(c1)OC(C)C 2230a_100011194262_200000210301 [0,2,0,0,0,0|1,0,1]=4 6243 B12R1.438 CNc1cccc(c1)OC(C)C 34a_100000756613_100000210206 [0,2,0,0,0,0|1,0,1]=4 6244 B12R1.438 CNc1cccc(c1)OC(C)C 34a_100011194262_200000210301 [0,2,0,0,0,0|1,0,1]=4 6245 B12R1.438 CNc1cccc(c1)OC(C)C 7a_100000756613_100000210206 [0,2,0,0,0,0|1,0,1]=4 6246 B12R1.438 CNc1cccc(c1)OC(C)C 7a_100011194262_200000210301 [0,2,0,0,0,0|1,0,1]=4 6247 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000070787_100103152439 [0,2,0,0,0,0|2,0,0]=4 6248 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000718155_200000210301 [0,2,0,0,0,0|2,0,0]=4 6249 B12R1.438 COc1cc(ccn1)CC(=O)[13CH3] 1458a_100000718155_200025704644 [0,2,0,0,0,0|2,0,0]=4 6250 B12R1.438 COc1cccc(c1)C=C(C)C 271570a_100102525489_100000170001 [0,2,0,0,0,0|2,0,0]=4 6251 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000070787_100000211672 [0,2,0,0,0,0|1,0,0]=3 6252 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000211281_200000210301 [0,2,0,0,0,0|1,0,0]=3 6253 B12R1.438 COc1cccc(c1)CC(=O)N 34a_200000747573_200000210301 [0,2,0,0,0,0|2,0,0]=4 6254 B12R1.438 COc1cccc(c1)CC(=O)N 7a_200000747573_200000210301 [0,2,0,0,0,0|2,0,0]=4 6255 B12R1.438 COc1cccc(c1)CC(=O)[13CH3] 1458a_100000211281_200025704644 [0,2,0,0,0,0|1,0,0]=3 6256 B12R1.438 COc1cccc(c1)NC(=O)C 11a_100000210024_100015343762 [0,2,0,0,0,0|1,0,0]=3 6257 B12R1.438 COc1cccc(c1)NC(=O)C 1626a_100000210024_100015343762 [0,2,0,0,0,0|1,0,0]=3 6258 B12R1.438 COc1cccc(c1)NC(=O)C 22a_100000210024_100000070787 [0,2,0,0,0,0|1,0,0]=3 6259 B12R1.438 COc1cccc(c1)NC(=O)C 34a_100000158604_200000210301 [0,2,0,0,0,0|1,0,0]=3 6260 B12R1.438 COc1cccc(c1)NC(=O)C 527a_100000210024_100103153847 [0,2,0,0,0,0|1,0,0]=3 6261 B12R1.438 COc1cccc(c1)NC(=O)C 7a_100000158604_200000210301 [0,2,0,0,0,0|1,0,0]=3 6262 B12R1.438 COc1cccc(c1)NC(=O)N 34a_100011219624_200000210301 [0,2,0,0,0,0|2,0,0]=4 6263 B12R1.438 COc1cccc(c1)NC(=O)N 7a_100011219624_200000210301 [0,2,0,0,0,0|2,0,0]=4 6264 B12R1.438 COc1cccc(c1)OC(=O)C 7a_100011218754_200000210301 [0,2,0,0,0,0|0,0,0]=2 6265 B12R1.438 COc1cccc(c1)OC(C)C 34a_100000211255_100000210206 [0,2,0,0,0,0|1,0,1]=4 6266 B12R1.438 COc1cccc(c1)OC(C)C 34a_100000753242_200000210301 [0,2,0,0,0,0|1,0,1]=4 6267 B12R1.438 COc1cccc(c1)OC(C)C 7a_100000211255_100000210206 [0,2,0,0,0,0|1,0,1]=4 6268 B12R1.438 COc1cccc(c1)OC(C)C 7a_100000753242_200000210301 [0,2,0,0,0,0|1,0,1]=4 6269 B12R1.438 COc1cccc(n1)CC(=O)C 1458a_100000070787_100000755263 [0,2,0,0,0,0|2,0,0]=4 6270 B12R1.438 COc1ccnc(c1)CC(=O)C 1458a_100000070787_100000752681 [0,2,0,0,0,0|2,0,0]=4 6271 B12R1.438 CSc1cc(ccn1)NC(=O)C 62a_200000210301_100000238608 [0,2,0,0,0,0|2,0,0]=4 6272 B12R1.438 CSc1cccc(c1)C=C(C)C 271570a_100102525489_100011215954 [0,2,0,0,0,0|2,0,0]=4 6273 B12R1.438 CSc1cccc(c1)CC(=O)C 1458a_100000035702_200000210301 [0,2,0,0,0,0|1,0,0]=3 6274 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_100000689217_200000210301 [0,2,0,0,0,0|1,0,0]=3 6275 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_200000210301_100000689217 [0,2,0,0,0,0|1,0,0]=3 6276 B12R1.438 CSc1cccc(c1)CC(=O)N 62a_100011586816_200000210301 [0,2,0,0,0,0|2,0,0]=4 6277 B12R1.438 CSc1cccc(c1)CC(=O)N 62a_200000210301_100011586816 [0,2,0,0,0,0|2,0,0]=4 6278 B12R1.438 CSc1cccc(c1)CC(=O)[13CH3] 1458a_100000035702_200025704644 [0,2,0,0,0,0|1,0,0]=3 6279 B12R1.438 CSc1cccc(c1)NC(=O)C 11a_100000210049_100015343762 [0,2,0,0,0,0|1,0,0]=3 6280 B12R1.438 CSc1cccc(c1)NC(=O)C 1626a_100000210049_100015343762 [0,2,0,0,0,0|1,0,0]=3 6281 B12R1.438 CSc1cccc(c1)NC(=O)C 22a_100000210049_100000070787 [0,2,0,0,0,0|1,0,0]=3 6282 B12R1.438 CSc1cccc(c1)NC(=O)C 527a_100000210049_100103153847 [0,2,0,0,0,0|1,0,0]=3 6283 B12R1.438 CSc1cccc(c1)NC(=O)C 62a_200000210301_100000153616 [0,2,0,0,0,0|1,0,0]=3 6284 B12R1.438 CSc1cccc(c1)NC(=O)N 62a_200000210301_100000238923 [0,2,0,0,0,0|2,0,0]=4 6285 B12R1.438 CSc1cccc(c1)OC(=O)C 62a_200000210301_100009811612 [0,2,0,0,0,0|0,0,0]=2 6286 B12R1.438 CSc1cccc(c1)OC(C)C 34a_100011265683_100000210206 [0,2,0,0,0,0|1,0,1]=4 6287 B12R1.438 CSc1cccc(c1)OC(C)C 62a_100000170003_200000210301 [0,2,0,0,0,0|1,0,1]=4 6288 B12R1.438 CSc1cccc(c1)OC(C)C 62a_200000210301_100000170003 [0,2,0,0,0,0|1,0,1]=4 6289 B12R1.438 CSc1cccc(c1)OC(C)C 7a_100011265683_100000210206 [0,2,0,0,0,0|1,0,1]=4 6290 B12R1.438 CSc1cccc(n1)NC(=O)C 62a_200000210301_200011307899 [0,2,0,0,0,0|2,0,0]=4 6291 B12R1.438 CSc1ccnc(c1)NC(=O)C 62a_200000210301_100012362434 [0,2,0,0,0,0|2,0,0]=4 6292 B12R1.438 CSc1cncc(c1)NC(=O)C 62a_200000210301_100012351681 [0,2,0,0,0,0|2,0,0]=4 6293 B12R1.438 [13CH3]C(=O)Cc1cccc(c1)C#N 1458a_100000684415_200025704644 [0,2,0,0,0,0|1,0,0]=3 6294 B12R1.438 [13CH3]Nc1cccc(c1)CC(=O)N 2230a_200011690101_200025704644 [0,2,0,0,0,0|2,0,0]=4 6295 B12R1.438 [13CH3]Nc1cccc(c1)CC(=O)N 34a_200011690101_200025704644 [0,2,0,0,0,0|2,0,0]=4 6296 B12R1.438 [13CH3]Nc1cccc(c1)NC(=O)N 34a_100000736001_200025704644 [0,2,0,0,0,0|2,0,0]=4 6297 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 34a_200000747573_200025704644 [0,2,0,0,0,0|2,0,0]=4 6298 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 7a_200000747573_200025704644 [0,2,0,0,0,0|2,0,0]=4 6299 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 34a_100011219624_200025704644 [0,2,0,0,0,0|2,0,0]=4 6300 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 7a_100011219624_200025704644 [0,2,0,0,0,0|2,0,0]=4 6301 B12R1.438 [13CH3]Sc1cccc(c1)CC(=O)N 62a_100011586816_200025704644 [0,2,0,0,0,0|2,0,0]=4 6302 B12R1.438 [13CH3]Sc1cccc(c1)CC(=O)N 62a_200025704644_100011586816 [0,2,0,0,0,0|2,0,0]=4 6303 B12R1.438 [13CH3]Sc1cccc(c1)NC(=O)N 62a_200025704644_100000238923 [0,2,0,0,0,0|2,0,0]=4 6304 B10R1.39 C=Cc1ccsc1C(=O)C 271570a_100011290941_100000738688 [0,0,1,1,0,0|2,0,0]=4 6305 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [0,0,1,1,0,0|2,0,0]=4 6306 B10R1.66 CC(=O)C=Cc1ccoc1 1458a_100000238621_200000210301 [0,0,1,1,0,0|2,0,0]=4 6307 B10R1.66 CC(=O)C=Cc1ccsc1 1458a_100000698588_200000210301 [0,0,1,1,0,0|2,0,0]=4 6308 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [0,0,1,1,0,0|2,0,0]=4 6309 B10R1.66 [13CH3]C(=O)C=Cc1ccoc1 1458a_100000238621_200025704644 [0,0,1,1,0,0|2,0,0]=4 6310 B10R1.66 [13CH3]C(=O)C=Cc1ccsc1 1458a_100000698588_200025704644 [0,0,1,1,0,0|2,0,0]=4 6311 B10R2.6 c1ccc(cc1)C2CC2 271570a_100011220607_100000210277 [1,0,0,1,0,0|1,0,1]=4 6312 B12R2.2057 c1ccc(cc1)COC2CC2 34a_100000210790_100000211595 [0,0,0,1,0,1|1,0,1]=4 6313 B12R2.2057 c1ccc(cc1)OCC2CC2 34a_100000210340_100000742324 [0,0,0,1,0,1|1,0,1]=4 6314 B12R2.2057 c1ccc(cc1)OCC2CC2 7a_100000210340_100000742324 [0,0,0,1,0,1|1,0,1]=4 6315 B12R2.2057 c1ccc(cc1)OCC2CO2 34a_100000210340_102125554688 [0,0,0,1,0,1|0,0,2]=4 6316 B12R2.2057 c1ccc(cc1)OCC2CO2 7a_100000210340_102125554688 [0,0,0,1,0,1|0,0,2]=4 6317 B12R2.2057 c1ccc(cc1)OCC2CS2 7a_100000210340_100000031435 [0,0,0,1,0,1|0,1,1]=4 6318 B12R2.2057 c1ccc(cc1)OC[C@@H]2CO2 7a_100000210340_100000745022 [0,0,0,1,0,1|0,0,2]=4 6319 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,0,0,1,0,1|1,0,0]=3 6320 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,0,0,1,0,1|1,0,0]=3 6321 B12R2.294 Brc1ccc(cc1)OC2CC2 34a_100000185759_100000211595 [0,1,0,1,0,0|1,0,1]=4 6322 B12R2.294 Cc1ccc(cc1)OC2CC2 34a_100000210336_100000211595 [0,1,0,1,0,0|1,0,1]=4 6323 B12R2.294 Clc1ccc(cc1)OC2CC2 34a_100000210216_100000211595 [0,1,0,1,0,0|1,0,1]=4 6324 B12R2.294 Fc1ccc(cc1)OC2CC2 34a_100000210339_100000211595 [0,1,0,1,0,0|1,0,1]=4 6325 B12R2.294 Ic1ccc(cc1)OC2CC2 34a_100000212066_100000211595 [0,1,0,1,0,0|1,0,1]=4 6326 B12R2.294 Nc1ccc(cc1)OC2CC2 34a_100000185829_100000211595 [0,1,0,1,0,0|1,0,1]=4 6327 B12R2.294 Oc1ccc(cc1)OC2CC2 271570a_203496583355_100000704264 [0,1,0,1,0,0|1,0,1]=4 6328 B12R2.606 Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100011214893 [0,1,0,1,0,0|2,0,0]=4 6329 B12R2.606 Cc1cc2cc(ccc2s1)O 271570a_203496583355_100000695401 [0,1,0,1,0,0|1,1,0]=4 6330 B12R2.606 Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100010196937 [0,1,0,1,0,0|2,0,0]=4 6331 B12R2.606 Cc1nc2cc(ccc2[nH]1)O 271570a_203496583355_100011264012 [0,1,0,1,0,0|2,0,0]=4 6332 B12R2.606 Cc1nc2cc(ccc2o1)O 271570a_203496583355_100009816932 [0,1,0,1,0,0|1,0,0]=3 6333 B12R2.606 Cc1nc2cc(ccc2s1)O 271570a_203496583355_100009813953 [0,1,0,1,0,0|1,1,0]=4 6334 B12R2.606 Cc1nc2cc(cnc2o1)O 271570a_203496583355_100010178690 [0,1,0,1,0,0|2,0,0]=4 6335 B12R2.606 Cc1nc2ccc(cc2o1)O 271570a_203496583355_100010171164 [0,1,0,1,0,0|1,0,0]=3 6336 B12R2.606 Cc1nc2ccc(cc2s1)O 271570a_203496583355_100009813144 [0,1,0,1,0,0|1,1,0]=4 6337 B12R2.606 Cc1nc2ncc(cc2o1)O 271570a_203496583355_100010235748 [0,1,0,1,0,0|2,0,0]=4 6338 B12R2.606 Nc1nc2cc(ccc2o1)O 271570a_203496583355_100000737949 [0,1,0,1,0,0|2,0,0]=4 6339 B12R2.606 Nc1nc2ccc(cc2o1)O 271570a_203496583355_100010000678 [0,1,0,1,0,0|2,0,0]=4 6340 B12R2.606 O=C1Cc2cc(ccc2N1)O 271570a_203496583355_100000754858 [0,1,0,1,0,0|1,0,0]=3 6341 B12R2.606 O=C1Cc2cc(cnc2N1)O 271570a_203496583355_100010177629 [0,1,0,1,0,0|2,0,0]=4 6342 B12R2.606 O=C1Cc2cc(ncc2N1)O 271570a_203496583355_100000104063 [0,1,0,1,0,0|2,0,0]=4 6343 B12R2.606 O=C1Cc2ccc(cc2C1)O 271570a_203496583355_100010185598 [0,1,0,1,0,0|1,0,0]=3 6344 B12R2.606 O=C1Cc2ccc(cc2N1)O 271570a_203496583355_100000760487 [0,1,0,1,0,0|1,0,0]=3 6345 B12R2.606 O=C1Cc2ccc(nc2N1)O 271570a_203496583355_100000104062 [0,1,0,1,0,0|2,0,0]=4 6346 B12R2.606 O=C1Cc2cnc(cc2N1)O 271570a_203496583355_100000089690 [0,1,0,1,0,0|2,0,0]=4 6347 B12R2.606 O=C1Cc2nc(ccc2N1)O 271570a_203496583355_100000087150 [0,1,0,1,0,0|2,0,0]=4 6348 B12R2.606 O=C1Cc2ncc(cc2N1)O 271570a_203496583355_100010168558 [0,1,0,1,0,0|2,0,0]=4 6349 B12R2.606 O=c1[nH]c2cc(ccc2o1)O 271570a_203496583355_100000764829 [0,1,0,1,0,0|1,0,0]=3 6350 B12R2.606 O=c1[nH]c2cc(ccc2s1)O 271570a_203496583355_100000239354 [0,1,0,1,0,0|1,1,0]=4 6351 B12R2.606 O=c1[nH]c2ccc(cc2[nH]1)O 271570a_203496583355_100011221360 [0,1,0,1,0,0|2,0,0]=4 6352 B12R2.606 O=c1[nH]c2ccc(cc2o1)O 271570a_203496583355_100000697996 [0,1,0,1,0,0|1,0,0]=3 6353 B12R2.606 O=c1[nH]c2ccc(cc2s1)O 271570a_203496583355_100009813980 [0,1,0,1,0,0|1,1,0]=4 6354 B12R2.606 O=c1[nH]c2ncc(cc2o1)O 271570a_203496583355_100000721845 [0,1,0,1,0,0|2,0,0]=4 6355 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [0,1,0,1,0,0|0,1,1]=4 6356 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,1,0,1,0,0|0,0,1]=3 6357 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [0,1,0,1,0,0|0,1,1]=4 6358 B12R2.18 Cn1c(nc2c1cccc2)O 271570a_203496583355_200000239431 [0,1,0,1,0,0|1,0,1]=4 6359 B12R2.32 C=Cc1cc2ccccc2o1 271570a_100011290941_100010159458 [0,1,0,1,0,0|1,0,1]=4 6360 B12R2.32 CNc1nc2ccccc2[nH]1 27a_100102657272_100009814255 [0,1,0,1,0,0|2,0,0]=4 6361 B12R2.32 CNc1nc2ccccc2s1 27a_100102657272_100000751744 [0,1,0,1,0,0|1,1,0]=4 6362 B12R2.32 CSc1cc2ccccc2[nH]1 62a_200000210301_100010232065 [0,1,0,1,0,0|2,0,0]=4 6363 B12R2.32 CSc1cc2ccccc2o1 62a_200000210301_100010159458 [0,1,0,1,0,0|1,0,0]=3 6364 B12R2.32 CSc1cc2ccccc2s1 62a_200000210301_100009816949 [0,1,0,1,0,0|1,1,0]=4 6365 B12R2.32 CSc1nc2ccccc2[nH]1 62a_200000210301_100009814255 [0,1,0,1,0,0|2,0,0]=4 6366 B12R2.32 CSc1nc2ccccc2s1 62a_200000210301_100000751744 [0,1,0,1,0,0|1,1,0]=4 6367 B12R2.32 [13CH3]Sc1cc2ccccc2[nH]1 62a_200025704644_100010232065 [0,1,0,1,0,0|2,0,0]=4 6368 B12R2.32 [13CH3]Sc1cc2ccccc2o1 62a_200025704644_100010159458 [0,1,0,1,0,0|1,0,0]=3 6369 B12R2.32 [13CH3]Sc1cc2ccccc2s1 62a_200025704644_100009816949 [0,1,0,1,0,0|1,1,0]=4 6370 B12R2.32 [13CH3]Sc1nc2ccccc2[nH]1 62a_200025704644_100009814255 [0,1,0,1,0,0|2,0,0]=4 6371 B12R2.32 [13CH3]Sc1nc2ccccc2s1 62a_200025704644_100000751744 [0,1,0,1,0,0|1,1,0]=4 6372 B12R2.2058 c1ccc(cc1)OC2CCC2 34a_100000210340_100000749161 [0,1,0,1,0,0|1,0,1]=4 6373 B12R2.2058 c1ccc(cc1)OC2COC2 34a_100000210340_100009818527 [0,1,0,1,0,0|0,0,2]=4 6374 B12R2.2058 c1ccc(cc1)OC2COC2 7a_100000210340_100009818527 [0,1,0,1,0,0|0,0,2]=4 6375 B12R2.202 CC1=Cc2cccc(c2C1)O 271570a_203496583355_100010271545 [0,1,0,1,0,0|2,0,0]=4 6376 B12R2.202 Cc1cc2c(cccc2[nH]1)O 271570a_203496583355_100010143266 [0,1,0,1,0,0|2,0,0]=4 6377 B12R2.202 Cc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012360556 [0,1,0,1,0,0|2,0,0]=4 6378 B12R2.202 Cc1nc2c(cccc2o1)O 271570a_203496583355_100010883239 [0,1,0,1,0,0|1,0,0]=3 6379 B12R2.202 Cc1nc2c(cccc2s1)O 271570a_203496583355_100010236672 [0,1,0,1,0,0|1,1,0]=4 6380 B12R2.202 Cc1nc2cccc(c2o1)O 271570a_203496583355_100010168998 [0,1,0,1,0,0|1,0,0]=3 6381 B12R2.202 Cc1nc2cccc(c2s1)O 271570a_203496583355_100010236699 [0,1,0,1,0,0|1,1,0]=4 6382 B12R2.202 Cc1nc2cncc(c2o1)O 271570a_203496583355_100010197357 [0,1,0,1,0,0|2,0,0]=4 6383 B12R2.202 Nc1nc2cccc(c2o1)O 271570a_203496583355_100012347120 [0,1,0,1,0,0|2,0,0]=4 6384 B12R2.202 O=C1Cc2c(cccc2N1)O 271570a_203496583355_100009816812 [0,1,0,1,0,0|1,0,0]=3 6385 B12R2.202 O=C1Cc2c(ccnc2N1)O 271570a_203496583355_100000104061 [0,1,0,1,0,0|2,0,0]=4 6386 B12R2.202 O=C1Cc2cccc(c2C1)O 271570a_203496583355_100010205903 [0,1,0,1,0,0|1,0,0]=3 6387 B12R2.202 O=C1Cc2cccc(c2N1)O 271570a_203496583355_100000767046 [0,1,0,1,0,0|1,0,0]=3 6388 B12R2.202 O=c1[nH]c2cccc(c2o1)O 271570a_203496583355_100012360093 [0,1,0,1,0,0|1,0,0]=3 6389 B12R2.225 Brc1ccccc1OC2CC2 34a_100000181306_100000211595 [0,1,0,1,0,0|1,0,1]=4 6390 B12R2.225 Cc1ccccc1OC2CC2 34a_100000210338_100000211595 [0,1,0,1,0,0|1,0,1]=4 6391 B12R2.225 Clc1ccccc1OC2CC2 34a_100000210172_100000211595 [0,1,0,1,0,0|1,0,1]=4 6392 B12R2.225 Fc1ccccc1OC2CC2 34a_100000210171_100000211595 [0,1,0,1,0,0|1,0,1]=4 6393 B12R2.225 Ic1ccccc1OC2CC2 34a_100000739446_100000211595 [0,1,0,1,0,0|1,0,1]=4 6394 B12R2.225 Nc1ccccc1OC2CC2 34a_100000185747_100000211595 [0,1,0,1,0,0|1,0,1]=4 6395 B12R2.225 Oc1ccccc1OC2CC2 271570a_203496583355_100012344913 [0,1,0,1,0,0|1,0,1]=4 6396 B12R2.1286 Brc1cccc(c1)OC2CC2 34a_100000210342_100000211595 [0,1,0,1,0,0|1,0,1]=4 6397 B12R2.1286 Cc1cccc(c1)OC2CC2 34a_100000210337_100000211595 [0,1,0,1,0,0|1,0,1]=4 6398 B12R2.1286 Clc1cccc(c1)OC2CC2 34a_100000210295_100000211595 [0,1,0,1,0,0|1,0,1]=4 6399 B12R2.1286 Fc1cccc(c1)OC2CC2 34a_100000210426_100000211595 [0,1,0,1,0,0|1,0,1]=4 6400 B12R2.1286 Ic1cccc(c1)OC2CC2 34a_100000211634_100000211595 [0,1,0,1,0,0|1,0,1]=4 6401 B12R2.1286 Nc1cccc(c1)OC2CC2 34a_100000210217_100000211595 [0,1,0,1,0,0|1,0,1]=4 6402 B12R2.1286 Oc1cccc(c1)OC2CC2 271570a_203496583355_100012344912 [0,1,0,1,0,0|1,0,1]=4 6403 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [1,0,0,0,1,0|2,0,0]=4 6404 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [1,0,0,0,1,0|2,0,0]=4 6405 B8R1.8 CC=Cc1ccoc1 271570a_100016259895_100011215275 [1,0,0,0,1,0|2,0,0]=4 6406 B8R1.8 CC=Cc1ccsc1 271570a_100016259895_100000738268 [1,0,0,0,1,0|2,0,0]=4 6407 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [1,0,0,0,1,0|1,0,1]=4 6408 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [1,0,0,0,1,0|1,0,1]=4 6409 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [0,0,0,0,2,0|2,0,0]=4 6410 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [0,0,0,0,2,0|2,0,0]=4 6411 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [0,0,0,0,2,0|2,0,0]=4 6412 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [0,0,0,0,2,0|2,0,0]=4 6413 B12R1.252 C=C(C)C=NNc1ccccc1 4a_100015195140_100000210575 [0,0,0,0,0,2|2,0,0]=4 6414 B12R1.252 C=C(C)CCNc1ccccc1 34a_100000106764_100000730704 [0,0,0,0,0,2|2,0,0]=4 6415 B12R1.252 C=C(C)CCOc1ccccc1 34a_100000210340_100000730704 [0,0,0,0,0,2|1,0,0]=3 6416 B12R1.252 C=C(C)CCOc1ccccc1 7a_100000210340_100000730704 [0,0,0,0,0,2|1,0,0]=3 6417 B12R1.252 C=C(C)CCOc1cccnc1 34a_100000210849_100000730704 [0,0,0,0,0,2|2,0,0]=4 6418 B12R1.252 C=C(C)CCOc1cccnc1 7a_100000210849_100000730704 [0,0,0,0,0,2|2,0,0]=4 6419 B12R1.252 C=C(C)CCOc1ccncc1 34a_100000212176_100000730704 [0,0,0,0,0,2|2,0,0]=4 6420 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000719477_100000730704 [0,0,0,0,0,2|1,1,0]=4 6421 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000730704_100000041952 [0,0,0,0,0,2|1,1,0]=4 6422 B12R1.252 C=C(C)CNCc1ccccc1 2230a_100015324214_100000748629 [0,0,0,0,0,2|2,0,0]=4 6423 B12R1.252 C=C(C)CNCc1ccccc1 34a_100015324214_100000748629 [0,0,0,0,0,2|2,0,0]=4 6424 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210245_100015291786 [0,0,0,0,0,2|1,0,0]=3 6425 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210790_100000748629 [0,0,0,0,0,2|1,0,0]=3 6426 B12R1.252 C=C(C)COCc1ccccc1 7a_100000210790_100000748629 [0,0,0,0,0,2|1,0,0]=3 6427 B12R1.252 C=C(C)COCc1ccccn1 34a_100000210245_100000721315 [0,0,0,0,0,2|2,0,0]=4 6428 B12R1.252 C=C(C)COCc1cccnc1 34a_100000210245_100000733263 [0,0,0,0,0,2|2,0,0]=4 6429 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000211182_100000211660 [0,0,0,0,0,2|1,1,0]=4 6430 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000748629_100015291786 [0,0,0,0,0,2|1,1,0]=4 6431 B12R1.252 C=C(F)COCc1ccccc1 34a_100000210790_100009893438 [0,0,0,0,0,2|1,0,1]=4 6432 B12R1.252 C=C(F)COCc1ccccc1 34a_200010262243_100015291786 [0,0,0,0,0,2|1,0,1]=4 6433 B12R1.252 C=C(F)COCc1ccccc1 7a_100000210790_100000042424 [0,0,0,0,0,2|1,0,1]=4 6434 B12R1.252 CC(=CCNc1ccccc1)C 34a_100000106764_100000761012 [0,0,0,0,0,2|2,0,0]=4 6435 B12R1.252 CC(=CCOc1ccccc1)C 34a_100000210340_100000761012 [0,0,0,0,0,2|1,0,0]=3 6436 B12R1.252 CC(=CCOc1ccccc1)C 7a_100000210340_100000761012 [0,0,0,0,0,2|1,0,0]=3 6437 B12R1.252 CC(=CCOc1cccnc1)C 34a_100000210849_100000761012 [0,0,0,0,0,2|2,0,0]=4 6438 B12R1.252 CC(=CCOc1cccnc1)C 7a_100000210849_100000761012 [0,0,0,0,0,2|2,0,0]=4 6439 B12R1.252 CC(=CCOc1ccncc1)C 34a_100000212176_100000761012 [0,0,0,0,0,2|2,0,0]=4 6440 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000719477_100000761012 [0,0,0,0,0,2|1,1,0]=4 6441 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000761012_100000041952 [0,0,0,0,0,2|1,1,0]=4 6442 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [0,0,0,0,0,2|1,0,0]=3 6443 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [0,0,0,0,0,2|1,0,0]=3 6444 B12R1.252 CC(=O)C=CSc1ccccc1 1458a_100016262050_200000210301 [0,0,0,0,0,2|0,1,0]=3 6445 B12R1.252 CC(=O)CC#Cc1ccccc1 1458a_100000070787_100011352542 [0,0,0,0,0,2|1,0,0]=3 6446 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,0,0,0,0,2|1,0,0]=3 6447 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,0,0,0,0,2|1,0,0]=3 6448 B12R1.252 CC(=O)CCCc1ccccn1 1458a_100000752327_200000210301 [0,0,0,0,0,2|2,0,0]=4 6449 B12R1.252 CC(=O)CCCc1ccncc1 1458a_100020654287_200000210301 [0,0,0,0,0,2|2,0,0]=4 6450 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [0,0,0,0,0,2|0,0,0]=2 6451 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [0,0,0,0,0,2|0,0,0]=2 6452 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [0,0,0,0,0,2|0,0,0]=2 6453 B12R1.252 CC(=O)CCOc1cccnc1 7a_100000210849_100000053229 [0,0,0,0,0,2|1,0,0]=3 6454 B12R1.252 CC(=O)CCOc1cncnc1 7a_100000754086_100000053229 [0,0,0,0,0,2|2,0,0]=4 6455 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [0,0,0,0,0,2|0,1,0]=3 6456 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [0,0,0,0,0,2|0,1,0]=3 6457 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [0,0,0,0,0,2|0,1,0]=3 6458 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [0,0,0,0,0,2|0,1,0]=3 6459 B12R1.252 CC(=O)CCSc1ccccn1 62a_100000053229_100011216584 [0,0,0,0,0,2|1,1,0]=4 6460 B12R1.252 CC(=O)CCSc1ccccn1 62a_100011216584_100000053229 [0,0,0,0,0,2|1,1,0]=4 6461 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000053229_100000210063 [0,0,0,0,0,2|1,1,0]=4 6462 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000210063_100000053229 [0,0,0,0,0,2|1,1,0]=4 6463 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000053229_100000728582 [0,0,0,0,0,2|1,1,0]=4 6464 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000728582_100000053229 [0,0,0,0,0,2|1,1,0]=4 6465 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [0,0,0,0,0,2|0,0,0]=2 6466 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [0,0,0,0,0,2|0,0,0]=2 6467 B12R1.252 CC(=O)COCc1ccccn1 34a_100000211253_100000721315 [0,0,0,0,0,2|1,0,0]=3 6468 B12R1.252 CC(=O)COCc1cccnc1 34a_100000211253_100000733263 [0,0,0,0,0,2|1,0,0]=3 6469 B12R1.252 CC(=O)COCc1cccnn1 34a_100000211253_100016990269 [0,0,0,0,0,2|2,0,0]=4 6470 B12R1.252 CC(=O)COCc1cnccn1 34a_100000211253_100016995436 [0,0,0,0,0,2|2,0,0]=4 6471 B12R1.252 CC(=O)COCc1cncnc1 34a_100000211253_100015196519 [0,0,0,0,0,2|2,0,0]=4 6472 B12R1.252 CC(=O)COCc1ncccn1 34a_100000211253_100000703007 [0,0,0,0,0,2|2,0,0]=4 6473 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [0,0,0,0,0,2|0,1,0]=3 6474 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [0,0,0,0,0,2|0,1,0]=3 6475 B12R1.252 CC(=O)CSCc1ccccn1 1458a_100000742634_200000210301 [0,0,0,0,0,2|1,1,0]=4 6476 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [0,0,0,0,0,2|1,0,0]=3 6477 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [0,0,0,0,0,2|1,0,0]=3 6478 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [0,0,0,0,0,2|1,0,0]=3 6479 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [0,0,0,0,0,2|1,0,0]=3 6480 B12R1.252 CC(=O)NCCc1ccccn1 11a_100000211156_100015343762 [0,0,0,0,0,2|2,0,0]=4 6481 B12R1.252 CC(=O)NCCc1ccccn1 1626a_100000211156_100015343762 [0,0,0,0,0,2|2,0,0]=4 6482 B12R1.252 CC(=O)NCCc1ccccn1 240690a_100000211156_100015343762 [0,0,0,0,0,2|2,0,0]=4 6483 B12R1.252 CC(=O)NCCc1ccccn1 527a_100000211156_100103153847 [0,0,0,0,0,2|2,0,0]=4 6484 B12R1.252 CC(=O)NCCc1cccnc1 11a_100000736294_100015343762 [0,0,0,0,0,2|2,0,0]=4 6485 B12R1.252 CC(=O)NCCc1cccnc1 1626a_100000736294_100015343762 [0,0,0,0,0,2|2,0,0]=4 6486 B12R1.252 CC(=O)NCCc1cccnc1 240690a_100000736294_100015343762 [0,0,0,0,0,2|2,0,0]=4 6487 B12R1.252 CC(=O)NCCc1cccnc1 527a_100000736294_100103153847 [0,0,0,0,0,2|2,0,0]=4 6488 B12R1.252 CC(=O)NCCc1ccncc1 11a_100000742849_100015343762 [0,0,0,0,0,2|2,0,0]=4 6489 B12R1.252 CC(=O)NCCc1ccncc1 1626a_100000742849_100015343762 [0,0,0,0,0,2|2,0,0]=4 6490 B12R1.252 CC(=O)NCCc1ccncc1 240690a_100000742849_100015343762 [0,0,0,0,0,2|2,0,0]=4 6491 B12R1.252 CC(=O)NCCc1ccncc1 527a_100000742849_100103153847 [0,0,0,0,0,2|2,0,0]=4 6492 B12R1.252 CC(=O)NN=Cc1ccccc1 4a_100000189765_100015611070 [0,0,0,0,0,2|1,0,0]=3 6493 B12R1.252 CC(=O)NN=Cc1ccccn1 4a_100000189765_100000209966 [0,0,0,0,0,2|2,0,0]=4 6494 B12R1.252 CC(=O)NN=Cc1cccnc1 4a_100000189765_100000209961 [0,0,0,0,0,2|2,0,0]=4 6495 B12R1.252 CC(=O)NN=Cc1ccncc1 4a_100000189765_100000186114 [0,0,0,0,0,2|2,0,0]=4 6496 B12R1.252 CC(=O)NNCc1ccccc1 22a_100000007032_100000070787 [0,0,0,0,0,2|1,0,0]=3 6497 B12R1.252 CC(=O)NNCc1ccccn1 22a_100000736832_100000070787 [0,0,0,0,0,2|2,0,0]=4 6498 B12R1.252 CC(=O)NNCc1cccnc1 22a_100000738295_100000070787 [0,0,0,0,0,2|2,0,0]=4 6499 B12R1.252 CC(=O)NNCc1ccncc1 22a_100000736929_100000070787 [0,0,0,0,0,2|2,0,0]=4 6500 B12R1.252 CC(=O)OCNc1ccccc1 34a_100000106764_100009813279 [0,0,0,0,0,2|0,0,0]=2 6501 B12R1.252 CC(=O)OCOc1ccccc1 34a_100000210340_100009813279 [0,0,0,0,0,2|0,0,0]=2 6502 B12R1.252 CC(=O)OCOc1cccnc1 34a_100000210849_100009813279 [0,0,0,0,0,2|1,0,0]=3 6503 B12R1.252 CC(=O)OCOc1ccncc1 34a_100000212176_100009813279 [0,0,0,0,0,2|1,0,0]=3 6504 B12R1.252 CC(=O)OCOc1ccnnc1 34a_100015204005_100009813279 [0,0,0,0,0,2|2,0,0]=4 6505 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000076356_100000041952 [0,0,0,0,0,2|0,0,0]=2 6506 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000719477_100000076356 [0,0,0,0,0,2|0,0,0]=2 6507 B12R1.252 CC(=O)OCSc1ccccn1 62a_100000076356_100011216584 [0,0,0,0,0,2|1,0,0]=3 6508 B12R1.252 CC(=O)OCSc1ccccn1 62a_100011216584_100000076356 [0,0,0,0,0,2|1,0,0]=3 6509 B12R1.252 CC(=O)OCSc1cccnc1 62a_100000076356_100000210063 [0,0,0,0,0,2|1,0,0]=3 6510 B12R1.252 CC(=O)OCSc1cccnc1 62a_100000210063_100000076356 [0,0,0,0,0,2|1,0,0]=3 6511 B12R1.252 CC(=O)OCSc1cccnn1 62a_100000076356_100016991348 [0,0,0,0,0,2|2,0,0]=4 6512 B12R1.252 CC(=O)OCSc1cccnn1 62a_100016991348_100000076356 [0,0,0,0,0,2|2,0,0]=4 6513 B12R1.252 CC(=O)OCSc1ccncc1 62a_100000076356_100000728582 [0,0,0,0,0,2|1,0,0]=3 6514 B12R1.252 CC(=O)OCSc1ccncc1 62a_100000728582_100000076356 [0,0,0,0,0,2|1,0,0]=3 6515 B12R1.252 CC(=O)OCSc1ccncn1 62a_100000076356_100000703185 [0,0,0,0,0,2|2,0,0]=4 6516 B12R1.252 CC(=O)OCSc1ccncn1 62a_100000703185_100000076356 [0,0,0,0,0,2|2,0,0]=4 6517 B12R1.252 CC(=O)OCSc1ccnnc1 62a_100000076356_100000732662 [0,0,0,0,0,2|2,0,0]=4 6518 B12R1.252 CC(=O)OCSc1ccnnc1 62a_100000732662_100000076356 [0,0,0,0,0,2|2,0,0]=4 6519 B12R1.252 CC(=O)OCSc1cnccn1 62a_100000076356_100000211759 [0,0,0,0,0,2|2,0,0]=4 6520 B12R1.252 CC(=O)OCSc1cnccn1 62a_100000211759_100000076356 [0,0,0,0,0,2|2,0,0]=4 6521 B12R1.252 CC(=O)OCSc1cncnc1 62a_100000076356_100011206942 [0,0,0,0,0,2|2,0,0]=4 6522 B12R1.252 CC(=O)OCSc1cncnc1 62a_100011206942_100000076356 [0,0,0,0,0,2|2,0,0]=4 6523 B12R1.252 CC(=O)OCSc1ncccn1 62a_100000076356_100000211032 [0,0,0,0,0,2|2,0,0]=4 6524 B12R1.252 CC(=O)OCSc1ncccn1 62a_100000211032_100000076356 [0,0,0,0,0,2|2,0,0]=4 6525 B12R1.252 CC(Br)COCc1ccccc1 34a_100012180447_100015291786 [0,0,0,0,0,2|1,0,1]=4 6526 B12R1.252 CC(C)CCOc1ccccc1 34a_100000210340_100000210312 [0,0,0,0,0,2|1,0,1]=4 6527 B12R1.252 CC(C)CCOc1ccccc1 7a_100000210340_100000210626 [0,0,0,0,0,2|1,0,1]=4 6528 B12R1.252 CC(C)COCc1ccccc1 34a_100000210257_100015291786 [0,0,0,0,0,2|1,0,1]=4 6529 B12R1.252 CC(C)COCc1ccccc1 34a_100000210790_100000210624 [0,0,0,0,0,2|1,0,1]=4 6530 B12R1.252 CC(C)COCc1ccccc1 7a_100000210790_100000210760 [0,0,0,0,0,2|1,0,1]=4 6531 B12R1.252 CC(C)OCCc1ccccc1 34a_100000210268_100000210206 [0,0,0,0,0,2|1,0,1]=4 6532 B12R1.252 CC(C)OCCc1ccccc1 34a_100000212225_100000765856 [0,0,0,0,0,2|1,0,1]=4 6533 B12R1.252 CC(C)OCCc1ccccc1 7a_100000210268_100000210206 [0,0,0,0,0,2|1,0,1]=4 6534 B12R1.252 CC(C)OCNc1ccccc1 34a_100000106764_100000709892 [0,0,0,0,0,2|1,0,1]=4 6535 B12R1.252 CC(C)OCOc1ccccc1 34a_100000210340_100000709892 [0,0,0,0,0,2|1,0,1]=4 6536 B12R1.252 CC(C)OCSc1ccccc1 62a_100000709892_100000041952 [0,0,0,0,0,2|1,0,1]=4 6537 B12R1.252 CC(C)OCSc1ccccc1 62a_100000719477_100000709892 [0,0,0,0,0,2|1,0,1]=4 6538 B12R1.252 CC(F)COCc1ccccc1 34a_100015925927_100015291786 [0,0,0,0,0,2|1,0,1]=4 6539 B12R1.252 CC(O)CCOc1ccccc1 34a_100000210340_100012276601 [0,0,0,0,0,2|0,0,2]=4 6540 B12R1.252 CC(O)CCOc1ccccc1 7a_100000210340_100012276601 [0,0,0,0,0,2|0,0,2]=4 6541 B12R1.252 CC(O)COCc1ccccc1 34a_100000210790_100011218427 [0,0,0,0,0,2|0,0,2]=4 6542 B12R1.252 CC(O)COCc1ccccc1 7a_100000210790_100011218427 [0,0,0,0,0,2|0,0,2]=4 6543 B12R1.252 CN(C)CCOc1ccccc1 2230a_100000184383_200000210301 [0,0,0,0,0,2|2,0,0]=4 6544 B12R1.252 CN(C)CCOc1ccccc1 2230a_100102631434_100000184471 [0,0,0,0,0,2|2,0,0]=4 6545 B12R1.252 CN(C)CCOc1ccccc1 269982a_100000184383_200000210301 [0,0,0,0,0,2|2,0,0]=4 6546 B12R1.252 CN(C)CCOc1ccccc1 269982a_100102631434_100000184471 [0,0,0,0,0,2|2,0,0]=4 6547 B12R1.252 CN(C)CCOc1ccccc1 270004a_100102631434_100000758736 [0,0,0,0,0,2|2,0,0]=4 6548 B12R1.252 CN(C)CCOc1ccccc1 7a_100000210340_100000755713 [0,0,0,0,0,2|2,0,0]=4 6549 B12R1.252 CN(C)COCc1ccccc1 2230a_100102631434_100000763385 [0,0,0,0,0,2|2,0,0]=4 6550 B12R1.252 CN([13CH3])CCOc1ccccc1 2230a_100000184383_200025704644 [0,0,0,0,0,2|2,0,0]=4 6551 B12R1.252 CN([13CH3])CCOc1ccccc1 269982a_100000184383_200025704644 [0,0,0,0,0,2|2,0,0]=4 6552 B12R1.252 C[C@@H](Cl)COCc1ccccc1 34a_100016084084_100015291786 [0,0,0,0,0,2|1,0,1]=4 6553 B12R1.252 C[C@@H](N)COCc1ccccc1 34a_100000737577_100015291786 [0,0,0,0,0,2|1,0,1]=4 6554 B12R1.252 C[C@@H](O)COCc1ccccc1 34a_100000210790_100009817552 [0,0,0,0,0,2|0,0,2]=4 6555 B12R1.252 C[C@@H](O)COCc1ccccc1 7a_100000210790_100009817552 [0,0,0,0,0,2|0,0,2]=4 6556 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [0,0,0,0,0,2|2,0,0]=4 6557 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [0,0,0,0,0,2|1,0,0]=3 6558 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [0,0,0,0,0,2|1,0,0]=3 6559 B12R1.252 NC(=O)CCOc1cccnc1 34a_100000210849_100000731001 [0,0,0,0,0,2|2,0,0]=4 6560 B12R1.252 NC(=O)CCOc1cccnc1 7a_100000210849_100000744528 [0,0,0,0,0,2|2,0,0]=4 6561 B12R1.252 NC(=O)CCOc1ccncc1 34a_100000212176_100000731001 [0,0,0,0,0,2|2,0,0]=4 6562 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [0,0,0,0,0,2|1,1,0]=4 6563 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [0,0,0,0,0,2|1,1,0]=4 6564 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [0,0,0,0,0,2|2,0,0]=4 6565 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [0,0,0,0,0,2|2,0,0]=4 6566 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [0,0,0,0,0,2|2,0,0]=4 6567 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [0,0,0,0,0,2|1,0,0]=3 6568 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [0,0,0,0,0,2|1,0,0]=3 6569 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [0,0,0,0,0,2|1,1,0]=4 6570 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [0,0,0,0,0,2|1,1,0]=4 6571 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [0,0,0,0,0,2|2,0,0]=4 6572 B12R1.252 O=C([O-])CNCc1ccccc1 34a_100015324214_100020667443 [0,0,0,0,0,2|2,0,0]=4 6573 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [0,0,0,0,0,2|1,0,0]=3 6574 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [0,0,0,0,0,2|1,1,0]=4 6575 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [0,0,0,0,0,2|1,1,0]=4 6576 B12R1.252 O=[N+]([O-])COCc1ccccc1 34a_100000210790_100000761209 [0,0,0,0,0,2|2,0,0]=4 6577 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [0,0,0,0,0,2|1,0,0]=3 6578 B12R1.252 [13CH3]C(=O)C=CSc1ccccc1 1458a_100016262050_200025704644 [0,0,0,0,0,2|0,1,0]=3 6579 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,0,0,0,0,2|1,0,0]=3 6580 B12R1.252 [13CH3]C(=O)CCCc1ccccn1 1458a_100000752327_200025704644 [0,0,0,0,0,2|2,0,0]=4 6581 B12R1.252 [13CH3]C(=O)CCCc1ccncc1 1458a_100020654287_200025704644 [0,0,0,0,0,2|2,0,0]=4 6582 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [0,0,0,0,0,2|0,0,0]=2 6583 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [0,0,0,0,0,2|0,1,0]=3 6584 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [0,0,0,0,0,2|0,0,0]=2 6585 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [0,0,0,0,0,2|0,1,0]=3 6586 B12R1.252 [13CH3]C(=O)CSCc1ccccn1 1458a_100000742634_200025704644 [0,0,0,0,0,2|1,1,0]=4